USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 975 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 57 SER OG : rot -129:sc= 0.118 USER MOD Set 1.2: A 115 LYS NZ :NH3+ -164:sc= -0.164! (180deg=-0.719) USER MOD Set 2.1: A 94 THR OG1 : rot -161:sc= -1.2! USER MOD Set 2.2: A 96 TYR OH : rot 27:sc= 1.72 USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 74 ASN : amide:sc= -1.04! C(o=-1!,f=-7!) USER MOD Set 4.1: A 34 GLN : amide:sc= -1.65! C(o=-2.9!,f=-1.7!) USER MOD Set 4.2: A 120 LYS NZ :NH3+ -133:sc= -1.23! (180deg=-2.77!) USER MOD Single : A 1 GLU N :NH3+ 135:sc= -0.0461 (180deg=-0.61) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= -0.0131 (180deg=-0.248) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 170:sc= -1.17 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 11 SER OG : rot 130:sc= -2.24 USER MOD Single : A 13 SER OG : rot 120:sc= -3.57! USER MOD Single : A 14 THR OG1 : rot -43:sc= 0.343 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.72! C(o=-1.7!,f=-5.3!) USER MOD Single : A 26 SER OG : rot -50:sc= 1.09 USER MOD Single : A 27 ASN : amide:sc= -0.721 K(o=-0.72,f=-4.7!) USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= -0.264 (180deg=-1.49!) USER MOD Single : A 29 SER OG : rot 148:sc= 0.591! USER MOD Single : A 30 SER OG : rot -134:sc= -0.709! USER MOD Single : A 31 ASN : amide:sc= -0.776 K(o=-0.78,f=-3.5!) USER MOD Single : A 32 ASN : amide:sc= -1.35! X(o=-1.3!,f=-1) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.017) USER MOD Single : A 45 ASN : amide:sc= -0.0254 K(o=-0.025,f=-1.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 56 TYR OH : rot -111:sc= 0.204 USER MOD Single : A 61 HIS : no HD1:sc= -0.763 K(o=-0.76,f=-0.18) USER MOD Single : A 69 ASN : amide:sc= -1.89 K(o=-1.9,f=-2.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0245 (180deg=-0.267) USER MOD Single : A 76 ASN : amide:sc=-0.00855 K(o=-0.0085,f=-1.6!) USER MOD Single : A 79 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.6) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 88 MET CE :methyl 146:sc= -0.101 (180deg=-0.851) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.212 K(o=-0.21,f=-3.2!) USER MOD Single : A 93 ASN : amide:sc= -2.19! C(o=-2.2!,f=-5.3!) USER MOD Single : A 97 SER OG : rot 17:sc= -2.12 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc=-0.00187 K(o=-0.0019,f=-1) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0818 K(o=-0.082,f=-1.7!) USER MOD Single : A 119 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0053) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.281 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 115.569 15.920 -3.926 1.00 0.00 N ATOM 2 CA GLU A 1 116.638 15.045 -4.488 1.00 0.00 C ATOM 3 C GLU A 1 116.239 13.578 -4.318 1.00 0.00 C ATOM 4 O GLU A 1 115.137 13.268 -3.912 1.00 0.00 O ATOM 5 CB GLU A 1 117.952 15.306 -3.749 1.00 0.00 C ATOM 6 CG GLU A 1 117.793 14.930 -2.274 1.00 0.00 C ATOM 7 CD GLU A 1 119.087 15.248 -1.524 1.00 0.00 C ATOM 8 OE1 GLU A 1 120.141 15.152 -2.132 1.00 0.00 O ATOM 9 OE2 GLU A 1 119.004 15.583 -0.353 1.00 0.00 O ATOM 0 H1 GLU A 1 116.002 16.671 -3.351 1.00 0.00 H new ATOM 0 H2 GLU A 1 115.026 16.348 -4.703 1.00 0.00 H new ATOM 0 H3 GLU A 1 114.933 15.352 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 1 116.768 15.265 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 1 118.756 14.724 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 1 118.230 16.356 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 1 116.961 15.481 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 1 117.558 13.870 -2.181 1.00 0.00 H new ATOM 18 N LYS A 2 117.128 12.672 -4.619 1.00 0.00 N ATOM 19 CA LYS A 2 116.796 11.227 -4.472 1.00 0.00 C ATOM 20 C LYS A 2 116.766 10.867 -2.983 1.00 0.00 C ATOM 21 O LYS A 2 117.367 11.531 -2.162 1.00 0.00 O ATOM 22 CB LYS A 2 117.854 10.384 -5.191 1.00 0.00 C ATOM 23 CG LYS A 2 117.890 10.768 -6.674 1.00 0.00 C ATOM 24 CD LYS A 2 116.728 10.093 -7.409 1.00 0.00 C ATOM 25 CE LYS A 2 116.858 10.349 -8.913 1.00 0.00 C ATOM 26 NZ LYS A 2 116.697 11.806 -9.187 1.00 0.00 N ATOM 0 H LYS A 2 118.069 12.869 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 2 115.820 11.025 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.832 10.545 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.624 9.324 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 2 117.821 11.851 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 2 118.839 10.463 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 2 116.731 9.021 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 2 115.778 10.482 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.830 10.007 -9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.103 9.781 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 116.548 11.953 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 115.877 12.170 -8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 117.554 12.313 -8.886 1.00 0.00 H new ATOM 40 N VAL A 3 116.060 9.828 -2.630 1.00 0.00 N ATOM 41 CA VAL A 3 115.979 9.426 -1.194 1.00 0.00 C ATOM 42 C VAL A 3 116.970 8.296 -0.914 1.00 0.00 C ATOM 43 O VAL A 3 117.011 7.308 -1.618 1.00 0.00 O ATOM 44 CB VAL A 3 114.563 8.934 -0.892 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.515 8.329 0.512 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.587 10.109 -0.976 1.00 0.00 C ATOM 0 H VAL A 3 115.534 9.238 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 3 116.221 10.283 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 3 114.282 8.174 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.504 7.980 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.209 7.490 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.798 9.085 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.577 9.759 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.870 10.870 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.617 10.536 -1.978 1.00 0.00 H new ATOM 56 N LYS A 4 117.761 8.424 0.123 1.00 0.00 N ATOM 57 CA LYS A 4 118.733 7.343 0.439 1.00 0.00 C ATOM 58 C LYS A 4 117.959 6.133 0.962 1.00 0.00 C ATOM 59 O LYS A 4 117.243 6.220 1.939 1.00 0.00 O ATOM 60 CB LYS A 4 119.715 7.819 1.513 1.00 0.00 C ATOM 61 CG LYS A 4 120.449 9.070 1.027 1.00 0.00 C ATOM 62 CD LYS A 4 121.312 8.722 -0.188 1.00 0.00 C ATOM 63 CE LYS A 4 122.352 9.823 -0.408 1.00 0.00 C ATOM 64 NZ LYS A 4 123.242 9.445 -1.542 1.00 0.00 N ATOM 0 H LYS A 4 117.773 9.224 0.756 1.00 0.00 H new ATOM 0 HA LYS A 4 119.292 7.078 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.180 8.036 2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.432 7.030 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.730 9.846 0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.073 9.471 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 4 121.808 7.764 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.686 8.616 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.856 10.770 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.941 9.968 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 123.949 10.193 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.725 8.551 -1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 122.674 9.327 -2.405 1.00 0.00 H new ATOM 78 N GLY A 5 118.094 5.008 0.322 1.00 0.00 N ATOM 79 CA GLY A 5 117.358 3.799 0.789 1.00 0.00 C ATOM 80 C GLY A 5 117.607 2.641 -0.176 1.00 0.00 C ATOM 81 O GLY A 5 118.080 2.827 -1.281 1.00 0.00 O ATOM 0 H GLY A 5 118.680 4.871 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.686 3.526 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.291 4.012 0.850 1.00 0.00 H new ATOM 85 N CYS A 6 117.293 1.444 0.236 1.00 0.00 N ATOM 86 CA CYS A 6 117.510 0.267 -0.646 1.00 0.00 C ATOM 87 C CYS A 6 116.171 -0.223 -1.197 1.00 0.00 C ATOM 88 O CYS A 6 115.200 -0.372 -0.480 1.00 0.00 O ATOM 89 CB CYS A 6 118.158 -0.858 0.166 1.00 0.00 C ATOM 90 SG CYS A 6 118.934 -2.054 -0.952 1.00 0.00 S ATOM 0 H CYS A 6 116.894 1.231 1.150 1.00 0.00 H new ATOM 0 HA CYS A 6 118.159 0.553 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.903 -0.445 0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.407 -1.355 0.780 1.00 0.00 H new ATOM 95 N ASP A 7 116.113 -0.478 -2.476 1.00 0.00 N ATOM 96 CA ASP A 7 114.845 -0.966 -3.083 1.00 0.00 C ATOM 97 C ASP A 7 115.015 -2.424 -3.516 1.00 0.00 C ATOM 98 O ASP A 7 115.710 -2.721 -4.468 1.00 0.00 O ATOM 99 CB ASP A 7 114.501 -0.110 -4.304 1.00 0.00 C ATOM 100 CG ASP A 7 113.050 -0.364 -4.717 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.516 -1.391 -4.332 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.497 0.474 -5.412 1.00 0.00 O ATOM 0 H ASP A 7 116.891 -0.369 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 7 114.041 -0.895 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.644 0.945 -4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.172 -0.349 -5.129 1.00 0.00 H new ATOM 107 N PHE A 8 114.379 -3.336 -2.835 1.00 0.00 N ATOM 108 CA PHE A 8 114.501 -4.772 -3.215 1.00 0.00 C ATOM 109 C PHE A 8 113.451 -5.093 -4.277 1.00 0.00 C ATOM 110 O PHE A 8 113.291 -6.226 -4.688 1.00 0.00 O ATOM 111 CB PHE A 8 114.258 -5.652 -1.984 1.00 0.00 C ATOM 112 CG PHE A 8 115.345 -5.415 -0.963 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.630 -5.933 -1.173 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.068 -4.681 0.197 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.636 -5.715 -0.224 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.074 -4.464 1.146 1.00 0.00 C ATOM 117 CZ PHE A 8 117.358 -4.982 0.936 1.00 0.00 C ATOM 0 H PHE A 8 113.780 -3.149 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 8 115.500 -4.965 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.284 -5.426 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.242 -6.703 -2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.844 -6.500 -2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.078 -4.282 0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.627 -6.112 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.860 -3.897 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.134 -4.816 1.669 1.00 0.00 H new ATOM 127 N THR A 9 112.719 -4.102 -4.708 1.00 0.00 N ATOM 128 CA THR A 9 111.662 -4.338 -5.731 1.00 0.00 C ATOM 129 C THR A 9 112.061 -3.715 -7.073 1.00 0.00 C ATOM 130 O THR A 9 111.495 -4.030 -8.099 1.00 0.00 O ATOM 131 CB THR A 9 110.356 -3.700 -5.249 1.00 0.00 C ATOM 132 OG1 THR A 9 110.115 -4.082 -3.902 1.00 0.00 O ATOM 133 CG2 THR A 9 109.199 -4.170 -6.129 1.00 0.00 C ATOM 0 H THR A 9 112.808 -3.136 -4.394 1.00 0.00 H new ATOM 0 HA THR A 9 111.534 -5.412 -5.868 1.00 0.00 H new ATOM 0 HB THR A 9 110.437 -2.615 -5.312 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.374 -3.553 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.271 -3.714 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.385 -3.876 -7.162 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.114 -5.255 -6.070 1.00 0.00 H new ATOM 141 N THR A 10 113.019 -2.827 -7.083 1.00 0.00 N ATOM 142 CA THR A 10 113.413 -2.192 -8.374 1.00 0.00 C ATOM 143 C THR A 10 114.890 -1.790 -8.336 1.00 0.00 C ATOM 144 O THR A 10 115.296 -0.954 -7.553 1.00 0.00 O ATOM 145 CB THR A 10 112.553 -0.946 -8.605 1.00 0.00 C ATOM 146 OG1 THR A 10 111.180 -1.298 -8.513 1.00 0.00 O ATOM 147 CG2 THR A 10 112.842 -0.368 -9.991 1.00 0.00 C ATOM 0 H THR A 10 113.541 -2.517 -6.263 1.00 0.00 H new ATOM 0 HA THR A 10 113.261 -2.905 -9.184 1.00 0.00 H new ATOM 0 HB THR A 10 112.790 -0.198 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 10 110.628 -0.502 -8.659 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.228 0.518 -10.151 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.895 -0.097 -10.060 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.609 -1.113 -10.752 1.00 0.00 H new ATOM 155 N SER A 11 115.688 -2.366 -9.188 1.00 0.00 N ATOM 156 CA SER A 11 117.138 -2.003 -9.211 1.00 0.00 C ATOM 157 C SER A 11 117.265 -0.507 -9.513 1.00 0.00 C ATOM 158 O SER A 11 118.168 0.160 -9.049 1.00 0.00 O ATOM 159 CB SER A 11 117.851 -2.805 -10.301 1.00 0.00 C ATOM 160 OG SER A 11 117.556 -4.184 -10.135 1.00 0.00 O ATOM 0 H SER A 11 115.404 -3.071 -9.869 1.00 0.00 H new ATOM 0 HA SER A 11 117.592 -2.229 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 11 117.529 -2.468 -11.286 1.00 0.00 H new ATOM 0 HB3 SER A 11 118.927 -2.642 -10.244 1.00 0.00 H new ATOM 0 HG SER A 11 117.258 -4.560 -10.990 1.00 0.00 H new ATOM 166 N GLU A 12 116.356 0.019 -10.286 1.00 0.00 N ATOM 167 CA GLU A 12 116.404 1.470 -10.629 1.00 0.00 C ATOM 168 C GLU A 12 115.226 2.178 -9.957 1.00 0.00 C ATOM 169 O GLU A 12 114.245 2.511 -10.592 1.00 0.00 O ATOM 170 CB GLU A 12 116.299 1.637 -12.146 1.00 0.00 C ATOM 171 CG GLU A 12 117.556 1.078 -12.813 1.00 0.00 C ATOM 172 CD GLU A 12 117.410 1.174 -14.333 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.393 1.677 -14.780 1.00 0.00 O ATOM 174 OE2 GLU A 12 118.320 0.744 -15.024 1.00 0.00 O ATOM 0 H GLU A 12 115.577 -0.496 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 12 117.343 1.902 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.416 1.118 -12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 12 116.179 2.691 -12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 12 118.434 1.635 -12.485 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.708 0.040 -12.516 1.00 0.00 H new ATOM 181 N SER A 13 115.310 2.396 -8.675 1.00 0.00 N ATOM 182 CA SER A 13 114.185 3.061 -7.958 1.00 0.00 C ATOM 183 C SER A 13 114.155 4.554 -8.284 1.00 0.00 C ATOM 184 O SER A 13 115.052 5.296 -7.936 1.00 0.00 O ATOM 185 CB SER A 13 114.364 2.882 -6.451 1.00 0.00 C ATOM 186 OG SER A 13 114.917 1.599 -6.195 1.00 0.00 O ATOM 0 H SER A 13 116.108 2.143 -8.092 1.00 0.00 H new ATOM 0 HA SER A 13 113.248 2.606 -8.279 1.00 0.00 H new ATOM 0 HB2 SER A 13 115.019 3.659 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 13 113.405 2.985 -5.944 1.00 0.00 H new ATOM 0 HG SER A 13 115.776 1.699 -5.735 1.00 0.00 H new ATOM 192 N THR A 14 113.117 4.996 -8.935 1.00 0.00 N ATOM 193 CA THR A 14 112.992 6.442 -9.260 1.00 0.00 C ATOM 194 C THR A 14 112.791 7.211 -7.952 1.00 0.00 C ATOM 195 O THR A 14 112.588 8.409 -7.944 1.00 0.00 O ATOM 196 CB THR A 14 111.788 6.660 -10.178 1.00 0.00 C ATOM 197 OG1 THR A 14 111.786 8.001 -10.647 1.00 0.00 O ATOM 198 CG2 THR A 14 110.497 6.388 -9.403 1.00 0.00 C ATOM 0 H THR A 14 112.345 4.413 -9.258 1.00 0.00 H new ATOM 0 HA THR A 14 113.889 6.794 -9.769 1.00 0.00 H new ATOM 0 HB THR A 14 111.851 5.979 -11.026 1.00 0.00 H new ATOM 0 HG1 THR A 14 112.001 8.607 -9.907 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.640 6.544 -10.058 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.498 5.359 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 14 110.433 7.068 -8.553 1.00 0.00 H new ATOM 206 N ILE A 15 112.831 6.518 -6.844 1.00 0.00 N ATOM 207 CA ILE A 15 112.632 7.188 -5.530 1.00 0.00 C ATOM 208 C ILE A 15 113.828 6.913 -4.609 1.00 0.00 C ATOM 209 O ILE A 15 114.288 7.786 -3.901 1.00 0.00 O ATOM 210 CB ILE A 15 111.350 6.651 -4.883 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.291 5.130 -5.054 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.131 7.283 -5.554 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.135 4.566 -4.226 1.00 0.00 C ATOM 0 H ILE A 15 112.994 5.512 -6.795 1.00 0.00 H new ATOM 0 HA ILE A 15 112.547 8.264 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 15 111.350 6.901 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 15 111.156 4.877 -6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.232 4.681 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.221 6.899 -5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.170 8.366 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 15 110.131 7.035 -6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.094 3.484 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.290 4.807 -3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.197 5.005 -4.565 1.00 0.00 H new ATOM 225 N PHE A 16 114.338 5.706 -4.607 1.00 0.00 N ATOM 226 CA PHE A 16 115.497 5.393 -3.716 1.00 0.00 C ATOM 227 C PHE A 16 116.797 5.418 -4.527 1.00 0.00 C ATOM 228 O PHE A 16 116.838 5.005 -5.670 1.00 0.00 O ATOM 229 CB PHE A 16 115.314 4.007 -3.092 1.00 0.00 C ATOM 230 CG PHE A 16 114.076 4.004 -2.226 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.083 4.662 -0.989 1.00 0.00 C ATOM 232 CD2 PHE A 16 112.920 3.345 -2.663 1.00 0.00 C ATOM 233 CE1 PHE A 16 112.934 4.659 -0.188 1.00 0.00 C ATOM 234 CE2 PHE A 16 111.772 3.343 -1.861 1.00 0.00 C ATOM 235 CZ PHE A 16 111.779 4.000 -0.625 1.00 0.00 C ATOM 0 H PHE A 16 114.005 4.930 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 16 115.548 6.142 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.225 3.253 -3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.189 3.747 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 16 114.974 5.171 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.914 2.839 -3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 16 112.939 5.165 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 16 110.880 2.834 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 16 110.893 3.998 -0.008 1.00 0.00 H new ATOM 245 N SER A 17 117.855 5.913 -3.944 1.00 0.00 N ATOM 246 CA SER A 17 119.158 5.985 -4.668 1.00 0.00 C ATOM 247 C SER A 17 119.776 4.590 -4.823 1.00 0.00 C ATOM 248 O SER A 17 120.586 4.361 -5.700 1.00 0.00 O ATOM 249 CB SER A 17 120.121 6.871 -3.877 1.00 0.00 C ATOM 250 OG SER A 17 121.174 7.299 -4.730 1.00 0.00 O ATOM 0 H SER A 17 117.873 6.273 -2.990 1.00 0.00 H new ATOM 0 HA SER A 17 118.982 6.401 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 17 119.591 7.734 -3.473 1.00 0.00 H new ATOM 0 HB3 SER A 17 120.526 6.320 -3.028 1.00 0.00 H new ATOM 0 HG SER A 17 121.792 7.868 -4.226 1.00 0.00 H new ATOM 256 N LYS A 18 119.427 3.657 -3.976 1.00 0.00 N ATOM 257 CA LYS A 18 120.036 2.298 -4.097 1.00 0.00 C ATOM 258 C LYS A 18 118.951 1.247 -4.355 1.00 0.00 C ATOM 259 O LYS A 18 117.964 1.168 -3.651 1.00 0.00 O ATOM 260 CB LYS A 18 120.768 1.957 -2.799 1.00 0.00 C ATOM 261 CG LYS A 18 121.792 3.050 -2.484 1.00 0.00 C ATOM 262 CD LYS A 18 123.015 2.878 -3.385 1.00 0.00 C ATOM 263 CE LYS A 18 124.063 3.935 -3.035 1.00 0.00 C ATOM 264 NZ LYS A 18 125.252 3.767 -3.917 1.00 0.00 N ATOM 0 H LYS A 18 118.757 3.773 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 18 120.735 2.297 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.054 1.867 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.268 0.993 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.349 4.034 -2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.088 2.995 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.434 1.880 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.724 2.972 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 18 123.643 4.933 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.356 3.840 -1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.965 4.486 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.656 2.819 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 124.966 3.879 -4.911 1.00 0.00 H new ATOM 278 N GLY A 19 119.142 0.426 -5.354 1.00 0.00 N ATOM 279 CA GLY A 19 118.138 -0.634 -5.658 1.00 0.00 C ATOM 280 C GLY A 19 118.858 -1.920 -6.078 1.00 0.00 C ATOM 281 O GLY A 19 119.973 -1.891 -6.563 1.00 0.00 O ATOM 0 H GLY A 19 119.952 0.445 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.517 -0.823 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.473 -0.301 -6.455 1.00 0.00 H new ATOM 285 N TYR A 20 118.228 -3.049 -5.895 1.00 0.00 N ATOM 286 CA TYR A 20 118.870 -4.339 -6.281 1.00 0.00 C ATOM 287 C TYR A 20 117.965 -5.089 -7.262 1.00 0.00 C ATOM 288 O TYR A 20 116.765 -4.896 -7.287 1.00 0.00 O ATOM 289 CB TYR A 20 119.075 -5.203 -5.035 1.00 0.00 C ATOM 290 CG TYR A 20 120.263 -4.700 -4.252 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.171 -3.506 -3.527 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.456 -5.433 -4.245 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.271 -3.043 -2.797 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.557 -4.970 -3.514 1.00 0.00 C ATOM 295 CZ TYR A 20 122.465 -3.775 -2.790 1.00 0.00 C ATOM 296 OH TYR A 20 123.550 -3.320 -2.069 1.00 0.00 O ATOM 0 H TYR A 20 117.294 -3.134 -5.494 1.00 0.00 H new ATOM 0 HA TYR A 20 119.832 -4.133 -6.750 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.181 -5.177 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.232 -6.242 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.250 -2.942 -3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.527 -6.355 -4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.199 -2.121 -2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.477 -5.535 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 20 124.297 -3.947 -2.171 1.00 0.00 H new ATOM 306 N SER A 21 118.530 -5.953 -8.063 1.00 0.00 N ATOM 307 CA SER A 21 117.705 -6.721 -9.037 1.00 0.00 C ATOM 308 C SER A 21 117.333 -8.073 -8.423 1.00 0.00 C ATOM 309 O SER A 21 117.994 -8.558 -7.527 1.00 0.00 O ATOM 310 CB SER A 21 118.508 -6.943 -10.319 1.00 0.00 C ATOM 311 OG SER A 21 117.653 -7.477 -11.322 1.00 0.00 O ATOM 0 H SER A 21 119.529 -6.159 -8.084 1.00 0.00 H new ATOM 0 HA SER A 21 116.798 -6.164 -9.272 1.00 0.00 H new ATOM 0 HB2 SER A 21 118.942 -6.002 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 21 119.336 -7.626 -10.129 1.00 0.00 H new ATOM 0 HG SER A 21 118.164 -7.619 -12.146 1.00 0.00 H new ATOM 317 N ILE A 22 116.283 -8.687 -8.894 1.00 0.00 N ATOM 318 CA ILE A 22 115.880 -10.005 -8.324 1.00 0.00 C ATOM 319 C ILE A 22 117.005 -11.020 -8.540 1.00 0.00 C ATOM 320 O ILE A 22 117.116 -11.996 -7.825 1.00 0.00 O ATOM 321 CB ILE A 22 114.603 -10.496 -9.011 1.00 0.00 C ATOM 322 CG1 ILE A 22 114.841 -10.623 -10.516 1.00 0.00 C ATOM 323 CG2 ILE A 22 113.473 -9.497 -8.758 1.00 0.00 C ATOM 324 CD1 ILE A 22 113.648 -11.335 -11.161 1.00 0.00 C ATOM 0 H ILE A 22 115.689 -8.336 -9.645 1.00 0.00 H new ATOM 0 HA ILE A 22 115.692 -9.895 -7.256 1.00 0.00 H new ATOM 0 HB ILE A 22 114.329 -11.470 -8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 22 114.973 -9.636 -10.959 1.00 0.00 H new ATOM 0 HG13 ILE A 22 115.758 -11.182 -10.705 1.00 0.00 H new ATOM 0 HG21 ILE A 22 112.563 -9.845 -9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 22 113.298 -9.409 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 22 113.751 -8.523 -9.161 1.00 0.00 H new ATOM 0 HD11 ILE A 22 113.816 -11.427 -12.234 1.00 0.00 H new ATOM 0 HD12 ILE A 22 113.538 -12.328 -10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 22 112.740 -10.758 -10.984 1.00 0.00 H new ATOM 336 N ASN A 23 117.843 -10.798 -9.515 1.00 0.00 N ATOM 337 CA ASN A 23 118.960 -11.751 -9.768 1.00 0.00 C ATOM 338 C ASN A 23 120.094 -11.491 -8.773 1.00 0.00 C ATOM 339 O ASN A 23 120.559 -12.386 -8.098 1.00 0.00 O ATOM 340 CB ASN A 23 119.483 -11.559 -11.194 1.00 0.00 C ATOM 341 CG ASN A 23 120.713 -12.442 -11.410 1.00 0.00 C ATOM 342 OD1 ASN A 23 121.679 -12.350 -10.678 1.00 0.00 O ATOM 343 ND2 ASN A 23 120.720 -13.301 -12.393 1.00 0.00 N ATOM 0 H ASN A 23 117.803 -9.998 -10.147 1.00 0.00 H new ATOM 0 HA ASN A 23 118.597 -12.771 -9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 23 118.707 -11.816 -11.915 1.00 0.00 H new ATOM 0 HB3 ASN A 23 119.739 -10.513 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 23 121.536 -13.894 -12.546 1.00 0.00 H new ATOM 0 HD22 ASN A 23 119.910 -13.379 -13.008 1.00 0.00 H new ATOM 350 N GLU A 24 120.542 -10.271 -8.683 1.00 0.00 N ATOM 351 CA GLU A 24 121.656 -9.950 -7.741 1.00 0.00 C ATOM 352 C GLU A 24 121.348 -10.520 -6.353 1.00 0.00 C ATOM 353 O GLU A 24 122.223 -11.026 -5.676 1.00 0.00 O ATOM 354 CB GLU A 24 121.817 -8.432 -7.641 1.00 0.00 C ATOM 355 CG GLU A 24 122.319 -7.882 -8.979 1.00 0.00 C ATOM 356 CD GLU A 24 122.398 -6.356 -8.908 1.00 0.00 C ATOM 357 OE1 GLU A 24 122.087 -5.814 -7.861 1.00 0.00 O ATOM 358 OE2 GLU A 24 122.768 -5.755 -9.904 1.00 0.00 O ATOM 0 H GLU A 24 120.187 -9.480 -9.220 1.00 0.00 H new ATOM 0 HA GLU A 24 122.579 -10.394 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 24 120.864 -7.971 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 24 122.520 -8.182 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 24 123.300 -8.297 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 24 121.648 -8.185 -9.783 1.00 0.00 H new ATOM 365 N ILE A 25 120.120 -10.446 -5.916 1.00 0.00 N ATOM 366 CA ILE A 25 119.784 -10.983 -4.567 1.00 0.00 C ATOM 367 C ILE A 25 119.865 -12.511 -4.590 1.00 0.00 C ATOM 368 O ILE A 25 119.864 -13.158 -3.562 1.00 0.00 O ATOM 369 CB ILE A 25 118.373 -10.539 -4.168 1.00 0.00 C ATOM 370 CG1 ILE A 25 117.363 -11.021 -5.212 1.00 0.00 C ATOM 371 CG2 ILE A 25 118.326 -9.014 -4.085 1.00 0.00 C ATOM 372 CD1 ILE A 25 115.944 -10.728 -4.720 1.00 0.00 C ATOM 0 H ILE A 25 119.339 -10.039 -6.431 1.00 0.00 H new ATOM 0 HA ILE A 25 120.495 -10.597 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 25 118.122 -10.968 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 25 117.540 -10.520 -6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 25 117.486 -12.090 -5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.323 -8.696 -3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 25 119.041 -8.668 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 25 118.580 -8.589 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 25 115.223 -11.071 -5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.771 -11.249 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.826 -9.655 -4.568 1.00 0.00 H new ATOM 384 N SER A 26 119.944 -13.094 -5.757 1.00 0.00 N ATOM 385 CA SER A 26 120.033 -14.580 -5.840 1.00 0.00 C ATOM 386 C SER A 26 121.482 -14.990 -6.112 1.00 0.00 C ATOM 387 O SER A 26 121.894 -16.092 -5.806 1.00 0.00 O ATOM 388 CB SER A 26 119.141 -15.081 -6.978 1.00 0.00 C ATOM 389 OG SER A 26 119.754 -14.780 -8.224 1.00 0.00 O ATOM 0 H SER A 26 119.951 -12.607 -6.653 1.00 0.00 H new ATOM 0 HA SER A 26 119.702 -15.017 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 26 118.985 -16.156 -6.887 1.00 0.00 H new ATOM 0 HB3 SER A 26 118.159 -14.611 -6.920 1.00 0.00 H new ATOM 0 HG SER A 26 120.022 -13.837 -8.238 1.00 0.00 H new ATOM 395 N ASN A 27 122.261 -14.110 -6.680 1.00 0.00 N ATOM 396 CA ASN A 27 123.684 -14.445 -6.968 1.00 0.00 C ATOM 397 C ASN A 27 124.590 -13.384 -6.337 1.00 0.00 C ATOM 398 O ASN A 27 125.161 -13.590 -5.284 1.00 0.00 O ATOM 399 CB ASN A 27 123.908 -14.469 -8.482 1.00 0.00 C ATOM 400 CG ASN A 27 125.302 -15.022 -8.782 1.00 0.00 C ATOM 401 OD1 ASN A 27 126.182 -14.970 -7.945 1.00 0.00 O ATOM 402 ND2 ASN A 27 125.542 -15.560 -9.947 1.00 0.00 N ATOM 0 H ASN A 27 121.972 -13.172 -6.957 1.00 0.00 H new ATOM 0 HA ASN A 27 123.920 -15.424 -6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 27 123.149 -15.086 -8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 27 123.808 -13.464 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 27 126.467 -15.936 -10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 27 124.804 -15.604 -10.650 1.00 0.00 H new ATOM 409 N LYS A 28 124.716 -12.250 -6.971 1.00 0.00 N ATOM 410 CA LYS A 28 125.586 -11.174 -6.414 1.00 0.00 C ATOM 411 C LYS A 28 124.983 -10.658 -5.105 1.00 0.00 C ATOM 412 O LYS A 28 124.547 -9.527 -5.013 1.00 0.00 O ATOM 413 CB LYS A 28 125.678 -10.026 -7.423 1.00 0.00 C ATOM 414 CG LYS A 28 126.410 -10.502 -8.679 1.00 0.00 C ATOM 415 CD LYS A 28 126.400 -9.390 -9.731 1.00 0.00 C ATOM 416 CE LYS A 28 127.544 -8.413 -9.456 1.00 0.00 C ATOM 417 NZ LYS A 28 128.843 -9.144 -9.498 1.00 0.00 N ATOM 0 H LYS A 28 124.254 -12.022 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 28 126.583 -11.571 -6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 28 124.679 -9.676 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 28 126.206 -9.181 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 28 127.436 -10.774 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 28 125.929 -11.396 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 28 126.506 -9.818 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 28 125.446 -8.864 -9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 28 127.540 -7.614 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 28 127.410 -7.944 -8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 129.581 -8.519 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 129.106 -9.440 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 128.750 -9.983 -10.105 1.00 0.00 H new ATOM 431 N SER A 29 124.958 -11.478 -4.090 1.00 0.00 N ATOM 432 CA SER A 29 124.381 -11.038 -2.787 1.00 0.00 C ATOM 433 C SER A 29 125.191 -9.855 -2.249 1.00 0.00 C ATOM 434 O SER A 29 126.143 -9.415 -2.858 1.00 0.00 O ATOM 435 CB SER A 29 124.440 -12.193 -1.787 1.00 0.00 C ATOM 436 OG SER A 29 123.393 -13.112 -2.069 1.00 0.00 O ATOM 0 H SER A 29 125.312 -12.434 -4.106 1.00 0.00 H new ATOM 0 HA SER A 29 123.344 -10.736 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 29 125.406 -12.694 -1.849 1.00 0.00 H new ATOM 0 HB3 SER A 29 124.343 -11.814 -0.770 1.00 0.00 H new ATOM 0 HG SER A 29 123.681 -14.019 -1.834 1.00 0.00 H new ATOM 442 N SER A 30 124.805 -9.333 -1.119 1.00 0.00 N ATOM 443 CA SER A 30 125.548 -8.174 -0.541 1.00 0.00 C ATOM 444 C SER A 30 126.902 -8.641 -0.004 1.00 0.00 C ATOM 445 O SER A 30 127.917 -8.522 -0.663 1.00 0.00 O ATOM 446 CB SER A 30 124.729 -7.568 0.599 1.00 0.00 C ATOM 447 OG SER A 30 123.412 -7.296 0.136 1.00 0.00 O ATOM 0 H SER A 30 124.009 -9.656 -0.570 1.00 0.00 H new ATOM 0 HA SER A 30 125.710 -7.425 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 30 124.695 -8.256 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 30 125.200 -6.651 0.953 1.00 0.00 H new ATOM 0 HG SER A 30 123.145 -6.396 0.418 1.00 0.00 H new ATOM 453 N ASN A 31 126.928 -9.174 1.188 1.00 0.00 N ATOM 454 CA ASN A 31 128.217 -9.655 1.765 1.00 0.00 C ATOM 455 C ASN A 31 128.147 -11.169 1.986 1.00 0.00 C ATOM 456 O ASN A 31 128.935 -11.921 1.449 1.00 0.00 O ATOM 457 CB ASN A 31 128.474 -8.958 3.102 1.00 0.00 C ATOM 458 CG ASN A 31 129.884 -9.291 3.592 1.00 0.00 C ATOM 459 OD1 ASN A 31 130.453 -10.293 3.204 1.00 0.00 O ATOM 460 ND2 ASN A 31 130.475 -8.491 4.435 1.00 0.00 N ATOM 0 H ASN A 31 126.112 -9.297 1.788 1.00 0.00 H new ATOM 0 HA ASN A 31 129.028 -9.425 1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 31 128.363 -7.880 2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 31 127.737 -9.279 3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 31 131.415 -8.706 4.769 1.00 0.00 H new ATOM 0 HD22 ASN A 31 129.998 -7.650 4.761 1.00 0.00 H new ATOM 467 N ASN A 32 127.211 -11.622 2.774 1.00 0.00 N ATOM 468 CA ASN A 32 127.091 -13.086 3.025 1.00 0.00 C ATOM 469 C ASN A 32 126.758 -13.804 1.713 1.00 0.00 C ATOM 470 O ASN A 32 127.136 -13.368 0.643 1.00 0.00 O ATOM 471 CB ASN A 32 125.977 -13.342 4.043 1.00 0.00 C ATOM 472 CG ASN A 32 126.359 -12.715 5.385 1.00 0.00 C ATOM 473 OD1 ASN A 32 127.518 -12.681 5.744 1.00 0.00 O ATOM 474 ND2 ASN A 32 125.425 -12.214 6.146 1.00 0.00 N ATOM 0 H ASN A 32 126.524 -11.041 3.255 1.00 0.00 H new ATOM 0 HA ASN A 32 128.035 -13.464 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.039 -12.918 3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 32 125.818 -14.414 4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 32 125.669 -11.794 7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 32 124.451 -12.243 5.844 1.00 0.00 H new ATOM 481 N GLN A 33 126.055 -14.901 1.785 1.00 0.00 N ATOM 482 CA GLN A 33 125.703 -15.640 0.540 1.00 0.00 C ATOM 483 C GLN A 33 124.242 -15.365 0.176 1.00 0.00 C ATOM 484 O GLN A 33 123.926 -15.021 -0.945 1.00 0.00 O ATOM 485 CB GLN A 33 125.902 -17.142 0.763 1.00 0.00 C ATOM 486 CG GLN A 33 125.428 -17.521 2.168 1.00 0.00 C ATOM 487 CD GLN A 33 125.630 -19.022 2.385 1.00 0.00 C ATOM 488 OE1 GLN A 33 125.528 -19.800 1.458 1.00 0.00 O ATOM 489 NE2 GLN A 33 125.912 -19.465 3.580 1.00 0.00 N ATOM 0 H GLN A 33 125.710 -15.317 2.650 1.00 0.00 H new ATOM 0 HA GLN A 33 126.347 -15.306 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 33 125.345 -17.707 0.016 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.954 -17.402 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 33 125.984 -16.956 2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.376 -17.263 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 33 125.998 -18.812 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 33 126.047 -20.464 3.735 1.00 0.00 H new ATOM 498 N GLN A 34 123.344 -15.514 1.114 1.00 0.00 N ATOM 499 CA GLN A 34 121.907 -15.255 0.817 1.00 0.00 C ATOM 500 C GLN A 34 121.472 -13.956 1.500 1.00 0.00 C ATOM 501 O GLN A 34 120.839 -13.109 0.902 1.00 0.00 O ATOM 502 CB GLN A 34 121.060 -16.417 1.336 1.00 0.00 C ATOM 503 CG GLN A 34 120.984 -16.355 2.863 1.00 0.00 C ATOM 504 CD GLN A 34 120.395 -17.664 3.396 1.00 0.00 C ATOM 505 OE1 GLN A 34 120.558 -18.706 2.793 1.00 0.00 O ATOM 506 NE2 GLN A 34 119.716 -17.656 4.510 1.00 0.00 N ATOM 0 H GLN A 34 123.544 -15.804 2.071 1.00 0.00 H new ATOM 0 HA GLN A 34 121.769 -15.162 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 34 120.058 -16.369 0.910 1.00 0.00 H new ATOM 0 HB3 GLN A 34 121.495 -17.366 1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 34 121.977 -16.193 3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 34 120.366 -15.512 3.174 1.00 0.00 H new ATOM 0 HE21 GLN A 34 119.578 -16.782 5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 34 119.323 -18.524 4.874 1.00 0.00 H new ATOM 515 N ASP A 35 121.809 -13.794 2.750 1.00 0.00 N ATOM 516 CA ASP A 35 121.418 -12.553 3.475 1.00 0.00 C ATOM 517 C ASP A 35 121.816 -11.334 2.640 1.00 0.00 C ATOM 518 O ASP A 35 122.979 -11.104 2.375 1.00 0.00 O ATOM 519 CB ASP A 35 122.150 -12.498 4.819 1.00 0.00 C ATOM 520 CG ASP A 35 122.211 -13.900 5.430 1.00 0.00 C ATOM 521 OD1 ASP A 35 121.484 -14.760 4.963 1.00 0.00 O ATOM 522 OD2 ASP A 35 122.984 -14.088 6.354 1.00 0.00 O ATOM 0 H ASP A 35 122.339 -14.469 3.301 1.00 0.00 H new ATOM 0 HA ASP A 35 120.341 -12.552 3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 35 123.158 -12.107 4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.635 -11.817 5.497 1.00 0.00 H new ATOM 527 N ILE A 36 120.863 -10.545 2.231 1.00 0.00 N ATOM 528 CA ILE A 36 121.197 -9.339 1.420 1.00 0.00 C ATOM 529 C ILE A 36 121.222 -8.117 2.340 1.00 0.00 C ATOM 530 O ILE A 36 120.252 -7.812 3.007 1.00 0.00 O ATOM 531 CB ILE A 36 120.145 -9.137 0.328 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.014 -10.417 -0.503 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.570 -7.982 -0.580 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.389 -10.833 -1.029 1.00 0.00 C ATOM 0 H ILE A 36 119.870 -10.681 2.422 1.00 0.00 H new ATOM 0 HA ILE A 36 122.172 -9.472 0.950 1.00 0.00 H new ATOM 0 HB ILE A 36 119.185 -8.905 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.590 -11.216 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.330 -10.253 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.821 -7.837 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.661 -7.070 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.531 -8.215 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.292 -11.744 -1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.796 -10.037 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.060 -11.015 -0.189 1.00 0.00 H new ATOM 546 N VAL A 37 122.324 -7.422 2.398 1.00 0.00 N ATOM 547 CA VAL A 37 122.399 -6.230 3.286 1.00 0.00 C ATOM 548 C VAL A 37 122.682 -4.973 2.462 1.00 0.00 C ATOM 549 O VAL A 37 123.609 -4.927 1.678 1.00 0.00 O ATOM 550 CB VAL A 37 123.525 -6.422 4.302 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.795 -5.098 5.021 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.115 -7.482 5.325 1.00 0.00 C ATOM 0 H VAL A 37 123.173 -7.627 1.871 1.00 0.00 H new ATOM 0 HA VAL A 37 121.445 -6.115 3.801 1.00 0.00 H new ATOM 0 HB VAL A 37 124.428 -6.746 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.598 -5.235 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.088 -4.342 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.892 -4.774 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 37 123.918 -7.619 6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.211 -7.159 5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 37 122.923 -8.426 4.814 1.00 0.00 H new ATOM 562 N CYS A 38 121.900 -3.945 2.654 1.00 0.00 N ATOM 563 CA CYS A 38 122.136 -2.681 1.904 1.00 0.00 C ATOM 564 C CYS A 38 122.813 -1.682 2.842 1.00 0.00 C ATOM 565 O CYS A 38 122.178 -1.077 3.682 1.00 0.00 O ATOM 566 CB CYS A 38 120.798 -2.102 1.430 1.00 0.00 C ATOM 567 SG CYS A 38 120.013 -3.248 0.270 1.00 0.00 S ATOM 0 H CYS A 38 121.109 -3.927 3.298 1.00 0.00 H new ATOM 0 HA CYS A 38 122.767 -2.876 1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.143 -1.929 2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.958 -1.137 0.950 1.00 0.00 H new ATOM 572 N THR A 39 124.095 -1.508 2.713 1.00 0.00 N ATOM 573 CA THR A 39 124.806 -0.546 3.606 1.00 0.00 C ATOM 574 C THR A 39 124.903 0.820 2.921 1.00 0.00 C ATOM 575 O THR A 39 125.473 0.955 1.858 1.00 0.00 O ATOM 576 CB THR A 39 126.213 -1.066 3.903 1.00 0.00 C ATOM 577 OG1 THR A 39 126.121 -2.320 4.564 1.00 0.00 O ATOM 578 CG2 THR A 39 126.948 -0.067 4.798 1.00 0.00 C ATOM 0 H THR A 39 124.684 -1.987 2.031 1.00 0.00 H new ATOM 0 HA THR A 39 124.251 -0.445 4.538 1.00 0.00 H new ATOM 0 HB THR A 39 126.763 -1.186 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.022 -2.656 4.754 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.951 -0.438 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.016 0.895 4.290 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.401 0.055 5.733 1.00 0.00 H new ATOM 586 N VAL A 40 124.354 1.835 3.533 1.00 0.00 N ATOM 587 CA VAL A 40 124.414 3.194 2.928 1.00 0.00 C ATOM 588 C VAL A 40 124.704 4.217 4.027 1.00 0.00 C ATOM 589 O VAL A 40 124.476 3.966 5.193 1.00 0.00 O ATOM 590 CB VAL A 40 123.074 3.520 2.261 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.596 2.313 1.452 1.00 0.00 C ATOM 592 CG2 VAL A 40 122.036 3.855 3.336 1.00 0.00 C ATOM 0 H VAL A 40 123.866 1.780 4.427 1.00 0.00 H new ATOM 0 HA VAL A 40 125.204 3.228 2.177 1.00 0.00 H new ATOM 0 HB VAL A 40 123.200 4.375 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.643 2.547 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.333 2.074 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.471 1.457 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.083 4.087 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.912 3.000 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.374 4.717 3.912 1.00 0.00 H new ATOM 602 N LYS A 41 125.208 5.364 3.668 1.00 0.00 N ATOM 603 CA LYS A 41 125.503 6.400 4.699 1.00 0.00 C ATOM 604 C LYS A 41 124.388 7.448 4.704 1.00 0.00 C ATOM 605 O LYS A 41 124.108 8.075 3.701 1.00 0.00 O ATOM 606 CB LYS A 41 126.840 7.073 4.383 1.00 0.00 C ATOM 607 CG LYS A 41 127.979 6.083 4.628 1.00 0.00 C ATOM 608 CD LYS A 41 129.304 6.714 4.197 1.00 0.00 C ATOM 609 CE LYS A 41 129.757 7.724 5.252 1.00 0.00 C ATOM 610 NZ LYS A 41 131.165 8.130 4.978 1.00 0.00 N ATOM 0 H LYS A 41 125.428 5.630 2.708 1.00 0.00 H new ATOM 0 HA LYS A 41 125.561 5.929 5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.854 7.410 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.971 7.957 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 41 128.019 5.812 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.803 5.164 4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 41 130.062 5.941 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 41 129.187 7.208 3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 41 129.106 8.598 5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 41 129.681 7.286 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 131.474 8.817 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 131.781 7.293 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 131.224 8.564 4.035 1.00 0.00 H new ATOM 624 N ALA A 42 123.752 7.644 5.827 1.00 0.00 N ATOM 625 CA ALA A 42 122.652 8.647 5.895 1.00 0.00 C ATOM 626 C ALA A 42 123.213 9.991 6.364 1.00 0.00 C ATOM 627 O ALA A 42 124.311 10.072 6.878 1.00 0.00 O ATOM 628 CB ALA A 42 121.585 8.164 6.880 1.00 0.00 C ATOM 0 H ALA A 42 123.947 7.153 6.700 1.00 0.00 H new ATOM 0 HA ALA A 42 122.207 8.767 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.779 8.896 6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.185 7.208 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 42 122.030 8.044 7.868 1.00 0.00 H new ATOM 634 N HIS A 43 122.470 11.051 6.186 1.00 0.00 N ATOM 635 CA HIS A 43 122.961 12.389 6.622 1.00 0.00 C ATOM 636 C HIS A 43 121.821 13.166 7.288 1.00 0.00 C ATOM 637 O HIS A 43 120.659 12.952 7.003 1.00 0.00 O ATOM 638 CB HIS A 43 123.466 13.165 5.403 1.00 0.00 C ATOM 639 CG HIS A 43 124.405 14.251 5.851 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.705 13.984 6.256 1.00 0.00 N ATOM 641 CD2 HIS A 43 124.248 15.610 5.961 1.00 0.00 C ATOM 642 CE1 HIS A 43 126.275 15.157 6.589 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.429 16.176 6.427 1.00 0.00 N ATOM 0 H HIS A 43 121.544 11.047 5.757 1.00 0.00 H new ATOM 0 HA HIS A 43 123.774 12.262 7.337 1.00 0.00 H new ATOM 0 HB2 HIS A 43 123.976 12.490 4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.625 13.598 4.861 1.00 0.00 H new ATOM 0 HD2 HIS A 43 123.347 16.155 5.722 1.00 0.00 H new ATOM 0 HE1 HIS A 43 127.290 15.260 6.943 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.611 17.163 6.607 1.00 0.00 H new ATOM 652 N ALA A 44 122.147 14.068 8.176 1.00 0.00 N ATOM 653 CA ALA A 44 121.091 14.855 8.872 1.00 0.00 C ATOM 654 C ALA A 44 120.185 15.535 7.839 1.00 0.00 C ATOM 655 O ALA A 44 119.032 15.813 8.100 1.00 0.00 O ATOM 656 CB ALA A 44 121.751 15.923 9.744 1.00 0.00 C ATOM 0 H ALA A 44 123.104 14.293 8.449 1.00 0.00 H new ATOM 0 HA ALA A 44 120.493 14.187 9.493 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.982 16.502 10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.395 15.444 10.481 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.348 16.586 9.118 1.00 0.00 H new ATOM 662 N ASN A 45 120.693 15.797 6.668 1.00 0.00 N ATOM 663 CA ASN A 45 119.857 16.459 5.623 1.00 0.00 C ATOM 664 C ASN A 45 119.362 15.413 4.625 1.00 0.00 C ATOM 665 O ASN A 45 118.355 15.596 3.968 1.00 0.00 O ATOM 666 CB ASN A 45 120.697 17.505 4.888 1.00 0.00 C ATOM 667 CG ASN A 45 121.003 18.671 5.828 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.274 18.917 6.767 1.00 0.00 O ATOM 669 ND2 ASN A 45 122.059 19.408 5.611 1.00 0.00 N ATOM 0 H ASN A 45 121.650 15.583 6.387 1.00 0.00 H new ATOM 0 HA ASN A 45 119.002 16.943 6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.625 17.057 4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 45 120.161 17.864 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.271 20.190 6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.672 19.201 4.822 1.00 0.00 H new ATOM 676 N ASP A 46 120.068 14.321 4.498 1.00 0.00 N ATOM 677 CA ASP A 46 119.652 13.269 3.529 1.00 0.00 C ATOM 678 C ASP A 46 118.415 12.536 4.055 1.00 0.00 C ATOM 679 O ASP A 46 118.322 12.216 5.224 1.00 0.00 O ATOM 680 CB ASP A 46 120.795 12.266 3.354 1.00 0.00 C ATOM 681 CG ASP A 46 121.930 12.912 2.559 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.708 13.973 2.002 1.00 0.00 O ATOM 683 OD2 ASP A 46 123.005 12.334 2.522 1.00 0.00 O ATOM 0 H ASP A 46 120.916 14.113 5.025 1.00 0.00 H new ATOM 0 HA ASP A 46 119.415 13.734 2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.159 11.942 4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.435 11.377 2.836 1.00 0.00 H new ATOM 688 N LEU A 47 117.471 12.253 3.198 1.00 0.00 N ATOM 689 CA LEU A 47 116.253 11.523 3.648 1.00 0.00 C ATOM 690 C LEU A 47 116.578 10.028 3.732 1.00 0.00 C ATOM 691 O LEU A 47 117.343 9.506 2.944 1.00 0.00 O ATOM 692 CB LEU A 47 115.114 11.740 2.646 1.00 0.00 C ATOM 693 CG LEU A 47 114.746 13.225 2.589 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.670 13.439 1.522 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.206 13.672 3.950 1.00 0.00 C ATOM 0 H LEU A 47 117.491 12.496 2.208 1.00 0.00 H new ATOM 0 HA LEU A 47 115.943 11.896 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.416 11.393 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.244 11.152 2.938 1.00 0.00 H new ATOM 0 HG LEU A 47 115.632 13.810 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.406 14.496 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 47 114.051 13.120 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.786 12.854 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.944 14.729 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.320 13.088 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 47 114.969 13.517 4.713 1.00 0.00 H new ATOM 707 N ILE A 48 116.013 9.331 4.681 1.00 0.00 N ATOM 708 CA ILE A 48 116.308 7.875 4.802 1.00 0.00 C ATOM 709 C ILE A 48 115.009 7.067 4.708 1.00 0.00 C ATOM 710 O ILE A 48 113.973 7.476 5.194 1.00 0.00 O ATOM 711 CB ILE A 48 116.979 7.598 6.149 1.00 0.00 C ATOM 712 CG1 ILE A 48 116.167 8.252 7.270 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.395 8.179 6.142 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.668 7.750 8.626 1.00 0.00 C ATOM 0 H ILE A 48 115.364 9.704 5.374 1.00 0.00 H new ATOM 0 HA ILE A 48 116.975 7.580 3.992 1.00 0.00 H new ATOM 0 HB ILE A 48 117.027 6.522 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 48 116.260 9.337 7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 48 115.109 8.017 7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.874 7.982 7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.975 7.714 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.346 9.255 5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 48 116.089 8.216 9.423 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.552 6.667 8.679 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.720 8.008 8.743 1.00 0.00 H new ATOM 726 N GLY A 49 115.065 5.917 4.094 1.00 0.00 N ATOM 727 CA GLY A 49 113.843 5.068 3.971 1.00 0.00 C ATOM 728 C GLY A 49 114.180 3.808 3.169 1.00 0.00 C ATOM 729 O GLY A 49 115.316 3.583 2.801 1.00 0.00 O ATOM 0 H GLY A 49 115.907 5.526 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.475 4.796 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.047 5.625 3.477 1.00 0.00 H new ATOM 733 N PHE A 50 113.206 2.984 2.889 1.00 0.00 N ATOM 734 CA PHE A 50 113.484 1.747 2.104 1.00 0.00 C ATOM 735 C PHE A 50 112.165 1.116 1.648 1.00 0.00 C ATOM 736 O PHE A 50 111.097 1.506 2.077 1.00 0.00 O ATOM 737 CB PHE A 50 114.257 0.749 2.970 1.00 0.00 C ATOM 738 CG PHE A 50 113.384 0.275 4.106 1.00 0.00 C ATOM 739 CD1 PHE A 50 112.551 -0.837 3.930 1.00 0.00 C ATOM 740 CD2 PHE A 50 113.409 0.944 5.335 1.00 0.00 C ATOM 741 CE1 PHE A 50 111.743 -1.279 4.984 1.00 0.00 C ATOM 742 CE2 PHE A 50 112.601 0.501 6.389 1.00 0.00 C ATOM 743 CZ PHE A 50 111.768 -0.610 6.214 1.00 0.00 C ATOM 0 H PHE A 50 112.234 3.113 3.169 1.00 0.00 H new ATOM 0 HA PHE A 50 114.081 2.005 1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.576 -0.100 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.159 1.217 3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 50 112.532 -1.353 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 50 114.051 1.802 5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 50 111.100 -2.136 4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 50 112.620 1.017 7.338 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.145 -0.951 7.027 1.00 0.00 H new ATOM 753 N LYS A 51 112.232 0.145 0.774 1.00 0.00 N ATOM 754 CA LYS A 51 110.984 -0.507 0.286 1.00 0.00 C ATOM 755 C LYS A 51 111.256 -1.980 -0.039 1.00 0.00 C ATOM 756 O LYS A 51 112.327 -2.346 -0.482 1.00 0.00 O ATOM 757 CB LYS A 51 110.499 0.214 -0.975 1.00 0.00 C ATOM 758 CG LYS A 51 109.239 -0.471 -1.510 1.00 0.00 C ATOM 759 CD LYS A 51 108.738 0.277 -2.748 1.00 0.00 C ATOM 760 CE LYS A 51 107.468 -0.394 -3.273 1.00 0.00 C ATOM 761 NZ LYS A 51 106.974 0.346 -4.470 1.00 0.00 N ATOM 0 H LYS A 51 113.097 -0.223 0.378 1.00 0.00 H new ATOM 0 HA LYS A 51 110.220 -0.449 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.288 1.259 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.281 0.203 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.456 -1.509 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.465 -0.484 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.535 1.318 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.507 0.278 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.673 -1.432 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 51 106.702 -0.405 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 106.110 -0.110 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 106.763 1.330 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.704 0.334 -5.211 1.00 0.00 H new ATOM 775 N CYS A 52 110.286 -2.826 0.176 1.00 0.00 N ATOM 776 CA CYS A 52 110.461 -4.280 -0.115 1.00 0.00 C ATOM 777 C CYS A 52 109.320 -4.732 -1.036 1.00 0.00 C ATOM 778 O CYS A 52 108.245 -4.169 -1.010 1.00 0.00 O ATOM 779 CB CYS A 52 110.395 -5.066 1.200 1.00 0.00 C ATOM 780 SG CYS A 52 111.916 -4.810 2.150 1.00 0.00 S ATOM 0 H CYS A 52 109.370 -2.570 0.545 1.00 0.00 H new ATOM 0 HA CYS A 52 111.423 -4.457 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.533 -4.743 1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.260 -6.128 0.993 1.00 0.00 H new ATOM 785 N PRO A 53 109.541 -5.740 -1.842 1.00 0.00 N ATOM 786 CA PRO A 53 108.502 -6.259 -2.778 1.00 0.00 C ATOM 787 C PRO A 53 107.177 -6.545 -2.061 1.00 0.00 C ATOM 788 O PRO A 53 107.143 -6.794 -0.872 1.00 0.00 O ATOM 789 CB PRO A 53 109.107 -7.553 -3.345 1.00 0.00 C ATOM 790 CG PRO A 53 110.324 -7.839 -2.523 1.00 0.00 C ATOM 791 CD PRO A 53 110.791 -6.497 -1.958 1.00 0.00 C ATOM 0 HA PRO A 53 108.260 -5.532 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.394 -8.375 -3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.367 -7.433 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.094 -8.539 -1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.104 -8.297 -3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.284 -6.614 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.502 -6.004 -2.621 1.00 0.00 H new ATOM 799 N SER A 54 106.083 -6.493 -2.774 1.00 0.00 N ATOM 800 CA SER A 54 104.754 -6.737 -2.143 1.00 0.00 C ATOM 801 C SER A 54 104.577 -8.221 -1.810 1.00 0.00 C ATOM 802 O SER A 54 103.646 -8.602 -1.126 1.00 0.00 O ATOM 803 CB SER A 54 103.654 -6.303 -3.112 1.00 0.00 C ATOM 804 OG SER A 54 103.723 -7.099 -4.288 1.00 0.00 O ATOM 0 H SER A 54 106.054 -6.291 -3.773 1.00 0.00 H new ATOM 0 HA SER A 54 104.692 -6.163 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 54 102.676 -6.411 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.771 -5.249 -3.365 1.00 0.00 H new ATOM 0 HG SER A 54 103.018 -6.824 -4.911 1.00 0.00 H new ATOM 810 N ASN A 55 105.444 -9.066 -2.292 1.00 0.00 N ATOM 811 CA ASN A 55 105.300 -10.523 -2.002 1.00 0.00 C ATOM 812 C ASN A 55 106.098 -10.891 -0.747 1.00 0.00 C ATOM 813 O ASN A 55 106.079 -12.021 -0.300 1.00 0.00 O ATOM 814 CB ASN A 55 105.823 -11.332 -3.190 1.00 0.00 C ATOM 815 CG ASN A 55 104.936 -11.081 -4.411 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.731 -11.224 -4.342 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.486 -10.709 -5.535 1.00 0.00 N ATOM 0 H ASN A 55 106.244 -8.814 -2.872 1.00 0.00 H new ATOM 0 HA ASN A 55 104.247 -10.750 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.852 -11.049 -3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.830 -12.394 -2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.904 -10.538 -6.355 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.497 -10.589 -5.593 1.00 0.00 H new ATOM 824 N TYR A 56 106.808 -9.956 -0.176 1.00 0.00 N ATOM 825 CA TYR A 56 107.598 -10.260 1.047 1.00 0.00 C ATOM 826 C TYR A 56 106.929 -9.636 2.277 1.00 0.00 C ATOM 827 O TYR A 56 106.118 -8.738 2.166 1.00 0.00 O ATOM 828 CB TYR A 56 109.011 -9.693 0.886 1.00 0.00 C ATOM 829 CG TYR A 56 109.854 -10.657 0.088 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.572 -10.883 -1.265 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.922 -11.324 0.700 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.355 -11.777 -2.005 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.706 -12.217 -0.039 1.00 0.00 C ATOM 834 CZ TYR A 56 111.423 -12.444 -1.392 1.00 0.00 C ATOM 835 OH TYR A 56 112.197 -13.325 -2.120 1.00 0.00 O ATOM 0 H TYR A 56 106.874 -8.993 -0.506 1.00 0.00 H new ATOM 0 HA TYR A 56 107.647 -11.340 1.185 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.971 -8.727 0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.460 -9.525 1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.750 -10.367 -1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 56 111.141 -11.149 1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 56 110.136 -11.952 -3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.530 -12.731 0.434 1.00 0.00 H new ATOM 0 HH TYR A 56 112.037 -14.239 -1.805 1.00 0.00 H new ATOM 845 N SER A 57 107.269 -10.104 3.448 1.00 0.00 N ATOM 846 CA SER A 57 106.656 -9.543 4.688 1.00 0.00 C ATOM 847 C SER A 57 107.625 -8.548 5.328 1.00 0.00 C ATOM 848 O SER A 57 108.817 -8.779 5.383 1.00 0.00 O ATOM 849 CB SER A 57 106.366 -10.679 5.672 1.00 0.00 C ATOM 850 OG SER A 57 105.716 -11.741 4.986 1.00 0.00 O ATOM 0 H SER A 57 107.946 -10.852 3.600 1.00 0.00 H new ATOM 0 HA SER A 57 105.725 -9.034 4.437 1.00 0.00 H new ATOM 0 HB2 SER A 57 107.295 -11.034 6.119 1.00 0.00 H new ATOM 0 HB3 SER A 57 105.738 -10.318 6.486 1.00 0.00 H new ATOM 0 HG SER A 57 104.906 -11.998 5.474 1.00 0.00 H new ATOM 856 N VAL A 58 107.133 -7.437 5.806 1.00 0.00 N ATOM 857 CA VAL A 58 108.045 -6.437 6.428 1.00 0.00 C ATOM 858 C VAL A 58 108.107 -6.640 7.947 1.00 0.00 C ATOM 859 O VAL A 58 107.128 -6.492 8.650 1.00 0.00 O ATOM 860 CB VAL A 58 107.546 -5.022 6.122 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.130 -4.935 4.653 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.344 -4.691 7.010 1.00 0.00 C ATOM 0 H VAL A 58 106.146 -7.180 5.793 1.00 0.00 H new ATOM 0 HA VAL A 58 109.044 -6.571 6.013 1.00 0.00 H new ATOM 0 HB VAL A 58 108.347 -4.309 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.775 -3.928 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 58 107.986 -5.163 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.332 -5.652 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 58 105.994 -3.683 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.542 -5.404 6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.639 -4.750 8.058 1.00 0.00 H new ATOM 872 N GLU A 59 109.267 -6.964 8.448 1.00 0.00 N ATOM 873 CA GLU A 59 109.443 -7.160 9.919 1.00 0.00 C ATOM 874 C GLU A 59 110.595 -6.265 10.377 1.00 0.00 C ATOM 875 O GLU A 59 111.668 -6.305 9.811 1.00 0.00 O ATOM 876 CB GLU A 59 109.803 -8.624 10.204 1.00 0.00 C ATOM 877 CG GLU A 59 108.539 -9.486 10.215 1.00 0.00 C ATOM 878 CD GLU A 59 108.881 -10.906 9.759 1.00 0.00 C ATOM 879 OE1 GLU A 59 109.442 -11.042 8.684 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.579 -11.832 10.494 1.00 0.00 O ATOM 0 H GLU A 59 110.113 -7.104 7.895 1.00 0.00 H new ATOM 0 HA GLU A 59 108.523 -6.909 10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.495 -8.990 9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.313 -8.701 11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.111 -9.508 11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.786 -9.053 9.556 1.00 0.00 H new ATOM 887 N PRO A 60 110.386 -5.455 11.385 1.00 0.00 N ATOM 888 CA PRO A 60 111.447 -4.539 11.882 1.00 0.00 C ATOM 889 C PRO A 60 112.480 -5.265 12.747 1.00 0.00 C ATOM 890 O PRO A 60 112.196 -5.685 13.850 1.00 0.00 O ATOM 891 CB PRO A 60 110.673 -3.525 12.722 1.00 0.00 C ATOM 892 CG PRO A 60 109.489 -4.278 13.232 1.00 0.00 C ATOM 893 CD PRO A 60 109.139 -5.318 12.160 1.00 0.00 C ATOM 0 HA PRO A 60 112.016 -4.094 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.282 -3.143 13.541 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.368 -2.666 12.124 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.717 -4.762 14.182 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.649 -3.606 13.410 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.838 -6.266 12.605 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.312 -4.984 11.533 1.00 0.00 H new ATOM 901 N HIS A 61 113.683 -5.400 12.263 1.00 0.00 N ATOM 902 CA HIS A 61 114.733 -6.078 13.071 1.00 0.00 C ATOM 903 C HIS A 61 115.458 -5.010 13.890 1.00 0.00 C ATOM 904 O HIS A 61 115.985 -5.270 14.954 1.00 0.00 O ATOM 905 CB HIS A 61 115.723 -6.788 12.146 1.00 0.00 C ATOM 906 CG HIS A 61 116.432 -7.873 12.912 1.00 0.00 C ATOM 907 ND1 HIS A 61 116.366 -9.207 12.533 1.00 0.00 N ATOM 908 CD2 HIS A 61 117.222 -7.839 14.034 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.099 -9.915 13.413 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.640 -9.128 14.344 1.00 0.00 N ATOM 0 H HIS A 61 113.983 -5.071 11.345 1.00 0.00 H new ATOM 0 HA HIS A 61 114.285 -6.821 13.730 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.198 -7.215 11.291 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.446 -6.074 11.752 1.00 0.00 H new ATOM 0 HD2 HIS A 61 117.479 -6.949 14.590 1.00 0.00 H new ATOM 0 HE1 HIS A 61 117.232 -10.986 13.370 1.00 0.00 H new ATOM 0 HE2 HIS A 61 118.236 -9.413 15.121 1.00 0.00 H new ATOM 919 N ASP A 62 115.470 -3.803 13.395 1.00 0.00 N ATOM 920 CA ASP A 62 116.133 -2.687 14.121 1.00 0.00 C ATOM 921 C ASP A 62 115.693 -1.368 13.482 1.00 0.00 C ATOM 922 O ASP A 62 116.483 -0.471 13.270 1.00 0.00 O ATOM 923 CB ASP A 62 117.655 -2.834 14.023 1.00 0.00 C ATOM 924 CG ASP A 62 118.327 -1.719 14.828 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.620 -0.844 15.296 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.540 -1.762 14.961 1.00 0.00 O ATOM 0 H ASP A 62 115.043 -3.541 12.507 1.00 0.00 H new ATOM 0 HA ASP A 62 115.851 -2.704 15.174 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.962 -3.808 14.403 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.970 -2.785 12.981 1.00 0.00 H new ATOM 931 N CYS A 63 114.428 -1.255 13.166 1.00 0.00 N ATOM 932 CA CYS A 63 113.912 -0.005 12.535 1.00 0.00 C ATOM 933 C CYS A 63 113.977 1.151 13.541 1.00 0.00 C ATOM 934 O CYS A 63 114.759 1.131 14.470 1.00 0.00 O ATOM 935 CB CYS A 63 112.468 -0.227 12.081 1.00 0.00 C ATOM 936 SG CYS A 63 112.432 -1.492 10.783 1.00 0.00 S ATOM 0 H CYS A 63 113.727 -1.980 13.319 1.00 0.00 H new ATOM 0 HA CYS A 63 114.526 0.248 11.671 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.854 -0.539 12.926 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.045 0.706 11.707 1.00 0.00 H new ATOM 941 N PHE A 64 113.178 2.174 13.356 1.00 0.00 N ATOM 942 CA PHE A 64 113.237 3.334 14.296 1.00 0.00 C ATOM 943 C PHE A 64 111.956 3.441 15.136 1.00 0.00 C ATOM 944 O PHE A 64 112.018 3.568 16.343 1.00 0.00 O ATOM 945 CB PHE A 64 113.445 4.629 13.498 1.00 0.00 C ATOM 946 CG PHE A 64 112.632 4.585 12.226 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.068 3.813 11.143 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.449 5.326 12.128 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.316 3.779 9.961 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.697 5.293 10.947 1.00 0.00 C ATOM 951 CZ PHE A 64 111.131 4.519 9.863 1.00 0.00 C ATOM 0 H PHE A 64 112.495 2.255 12.603 1.00 0.00 H new ATOM 0 HA PHE A 64 114.073 3.179 14.978 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.149 5.489 14.099 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.501 4.754 13.261 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.983 3.244 11.218 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.116 5.924 12.964 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.650 3.182 9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.783 5.864 10.872 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.552 4.493 8.952 1.00 0.00 H new ATOM 961 N VAL A 65 110.795 3.397 14.531 1.00 0.00 N ATOM 962 CA VAL A 65 109.546 3.532 15.346 1.00 0.00 C ATOM 963 C VAL A 65 109.517 2.422 16.396 1.00 0.00 C ATOM 964 O VAL A 65 109.302 2.665 17.567 1.00 0.00 O ATOM 965 CB VAL A 65 108.309 3.410 14.444 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.056 3.291 15.316 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.191 4.657 13.563 1.00 0.00 C ATOM 0 H VAL A 65 110.657 3.276 13.528 1.00 0.00 H new ATOM 0 HA VAL A 65 109.535 4.508 15.830 1.00 0.00 H new ATOM 0 HB VAL A 65 108.406 2.526 13.814 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.176 3.204 14.679 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.135 2.406 15.948 1.00 0.00 H new ATOM 0 HG13 VAL A 65 106.964 4.178 15.943 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.313 4.569 12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.093 5.540 14.194 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.083 4.751 12.944 1.00 0.00 H new ATOM 977 N SER A 66 109.753 1.208 15.988 1.00 0.00 N ATOM 978 CA SER A 66 109.762 0.073 16.953 1.00 0.00 C ATOM 979 C SER A 66 110.599 -1.056 16.355 1.00 0.00 C ATOM 980 O SER A 66 110.401 -1.446 15.221 1.00 0.00 O ATOM 981 CB SER A 66 108.332 -0.415 17.195 1.00 0.00 C ATOM 982 OG SER A 66 108.343 -1.423 18.197 1.00 0.00 O ATOM 0 H SER A 66 109.942 0.950 15.019 1.00 0.00 H new ATOM 0 HA SER A 66 110.186 0.393 17.905 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.700 0.416 17.506 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.909 -0.809 16.271 1.00 0.00 H new ATOM 0 HG SER A 66 107.428 -1.737 18.356 1.00 0.00 H new ATOM 988 N ALA A 67 111.542 -1.579 17.087 1.00 0.00 N ATOM 989 CA ALA A 67 112.384 -2.667 16.518 1.00 0.00 C ATOM 990 C ALA A 67 113.315 -3.240 17.590 1.00 0.00 C ATOM 991 O ALA A 67 113.292 -2.830 18.733 1.00 0.00 O ATOM 992 CB ALA A 67 113.226 -2.097 15.376 1.00 0.00 C ATOM 0 H ALA A 67 111.765 -1.304 18.044 1.00 0.00 H new ATOM 0 HA ALA A 67 111.736 -3.463 16.152 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.847 -2.887 14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.569 -1.698 14.603 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.864 -1.299 15.757 1.00 0.00 H new ATOM 998 N PHE A 68 114.142 -4.184 17.217 1.00 0.00 N ATOM 999 CA PHE A 68 115.080 -4.792 18.199 1.00 0.00 C ATOM 1000 C PHE A 68 116.419 -4.054 18.117 1.00 0.00 C ATOM 1001 O PHE A 68 116.989 -3.902 17.054 1.00 0.00 O ATOM 1002 CB PHE A 68 115.294 -6.270 17.855 1.00 0.00 C ATOM 1003 CG PHE A 68 113.961 -6.951 17.638 1.00 0.00 C ATOM 1004 CD1 PHE A 68 113.231 -6.703 16.469 1.00 0.00 C ATOM 1005 CD2 PHE A 68 113.460 -7.838 18.599 1.00 0.00 C ATOM 1006 CE1 PHE A 68 112.002 -7.341 16.262 1.00 0.00 C ATOM 1007 CE2 PHE A 68 112.231 -8.476 18.393 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.502 -8.228 17.225 1.00 0.00 C ATOM 0 H PHE A 68 114.205 -4.559 16.270 1.00 0.00 H new ATOM 0 HA PHE A 68 114.668 -4.713 19.205 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.906 -6.358 16.958 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.837 -6.764 18.661 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.616 -6.019 15.727 1.00 0.00 H new ATOM 0 HD2 PHE A 68 114.023 -8.030 19.501 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.439 -7.150 15.360 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.846 -9.159 19.135 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.554 -8.720 17.065 1.00 0.00 H new ATOM 1018 N ASN A 69 116.928 -3.587 19.225 1.00 0.00 N ATOM 1019 CA ASN A 69 118.220 -2.842 19.191 1.00 0.00 C ATOM 1020 C ASN A 69 119.366 -3.803 18.875 1.00 0.00 C ATOM 1021 O ASN A 69 119.157 -4.973 18.620 1.00 0.00 O ATOM 1022 CB ASN A 69 118.466 -2.184 20.549 1.00 0.00 C ATOM 1023 CG ASN A 69 117.501 -1.013 20.731 1.00 0.00 C ATOM 1024 OD1 ASN A 69 116.950 -0.509 19.772 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.269 -0.554 21.930 1.00 0.00 N ATOM 0 H ASN A 69 116.507 -3.688 20.149 1.00 0.00 H new ATOM 0 HA ASN A 69 118.171 -2.076 18.417 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.326 -2.912 21.348 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.496 -1.834 20.614 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.626 0.227 22.062 1.00 0.00 H new ATOM 0 HD22 ASN A 69 117.731 -0.976 22.736 1.00 0.00 H new ATOM 1032 N LEU A 70 120.578 -3.318 18.893 1.00 0.00 N ATOM 1033 CA LEU A 70 121.740 -4.199 18.591 1.00 0.00 C ATOM 1034 C LEU A 70 121.805 -5.314 19.639 1.00 0.00 C ATOM 1035 O LEU A 70 122.343 -6.378 19.398 1.00 0.00 O ATOM 1036 CB LEU A 70 123.032 -3.378 18.627 1.00 0.00 C ATOM 1037 CG LEU A 70 122.892 -2.161 17.707 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.177 -1.332 17.757 1.00 0.00 C ATOM 1039 CD2 LEU A 70 122.647 -2.627 16.271 1.00 0.00 C ATOM 0 H LEU A 70 120.813 -2.348 19.104 1.00 0.00 H new ATOM 0 HA LEU A 70 121.625 -4.635 17.599 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.241 -3.054 19.647 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.874 -3.992 18.309 1.00 0.00 H new ATOM 0 HG LEU A 70 122.051 -1.553 18.040 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.077 -0.466 17.102 1.00 0.00 H new ATOM 0 HD12 LEU A 70 124.354 -0.996 18.779 1.00 0.00 H new ATOM 0 HD13 LEU A 70 125.017 -1.942 17.426 1.00 0.00 H new ATOM 0 HD21 LEU A 70 122.548 -1.759 15.619 1.00 0.00 H new ATOM 0 HD22 LEU A 70 123.487 -3.237 15.938 1.00 0.00 H new ATOM 0 HD23 LEU A 70 121.732 -3.217 16.231 1.00 0.00 H new ATOM 1051 N SER A 71 121.254 -5.080 20.798 1.00 0.00 N ATOM 1052 CA SER A 71 121.271 -6.124 21.861 1.00 0.00 C ATOM 1053 C SER A 71 120.126 -7.103 21.608 1.00 0.00 C ATOM 1054 O SER A 71 119.977 -8.097 22.291 1.00 0.00 O ATOM 1055 CB SER A 71 121.086 -5.465 23.229 1.00 0.00 C ATOM 1056 OG SER A 71 122.166 -4.572 23.468 1.00 0.00 O ATOM 0 H SER A 71 120.791 -4.208 21.055 1.00 0.00 H new ATOM 0 HA SER A 71 122.223 -6.654 21.845 1.00 0.00 H new ATOM 0 HB2 SER A 71 120.139 -4.926 23.261 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.047 -6.225 24.010 1.00 0.00 H new ATOM 0 HG SER A 71 122.051 -4.146 24.343 1.00 0.00 H new ATOM 1062 N GLY A 72 119.309 -6.821 20.629 1.00 0.00 N ATOM 1063 CA GLY A 72 118.168 -7.725 20.320 1.00 0.00 C ATOM 1064 C GLY A 72 117.002 -7.414 21.259 1.00 0.00 C ATOM 1065 O GLY A 72 116.105 -8.215 21.439 1.00 0.00 O ATOM 0 H GLY A 72 119.385 -6.000 20.029 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.858 -7.596 19.283 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.473 -8.765 20.434 1.00 0.00 H new ATOM 1069 N LYS A 73 117.006 -6.254 21.860 1.00 0.00 N ATOM 1070 CA LYS A 73 115.897 -5.887 22.787 1.00 0.00 C ATOM 1071 C LYS A 73 114.912 -4.969 22.054 1.00 0.00 C ATOM 1072 O LYS A 73 115.303 -4.121 21.278 1.00 0.00 O ATOM 1073 CB LYS A 73 116.474 -5.158 24.006 1.00 0.00 C ATOM 1074 CG LYS A 73 117.363 -6.116 24.804 1.00 0.00 C ATOM 1075 CD LYS A 73 117.972 -5.375 25.998 1.00 0.00 C ATOM 1076 CE LYS A 73 118.912 -6.313 26.759 1.00 0.00 C ATOM 1077 NZ LYS A 73 118.120 -7.406 27.391 1.00 0.00 N ATOM 0 H LYS A 73 117.730 -5.544 21.749 1.00 0.00 H new ATOM 0 HA LYS A 73 115.378 -6.787 23.118 1.00 0.00 H new ATOM 0 HB2 LYS A 73 117.052 -4.292 23.684 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.666 -4.786 24.636 1.00 0.00 H new ATOM 0 HG2 LYS A 73 116.778 -6.968 25.151 1.00 0.00 H new ATOM 0 HG3 LYS A 73 118.154 -6.511 24.166 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.518 -4.497 25.654 1.00 0.00 H new ATOM 0 HD3 LYS A 73 117.182 -5.020 26.660 1.00 0.00 H new ATOM 0 HE2 LYS A 73 119.653 -6.733 26.079 1.00 0.00 H new ATOM 0 HE3 LYS A 73 119.458 -5.758 27.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 118.697 -7.878 28.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 117.268 -7.006 27.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 117.842 -8.098 26.666 1.00 0.00 H new ATOM 1091 N ASN A 74 113.637 -5.134 22.289 1.00 0.00 N ATOM 1092 CA ASN A 74 112.635 -4.274 21.593 1.00 0.00 C ATOM 1093 C ASN A 74 112.492 -2.936 22.327 1.00 0.00 C ATOM 1094 O ASN A 74 111.971 -2.868 23.422 1.00 0.00 O ATOM 1095 CB ASN A 74 111.281 -4.989 21.566 1.00 0.00 C ATOM 1096 CG ASN A 74 110.280 -4.150 20.767 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.516 -2.987 20.509 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.165 -4.694 20.362 1.00 0.00 N ATOM 0 H ASN A 74 113.247 -5.825 22.930 1.00 0.00 H new ATOM 0 HA ASN A 74 112.972 -4.087 20.573 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.387 -5.976 21.115 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.917 -5.140 22.582 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.493 -4.142 19.829 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.966 -5.671 20.578 1.00 0.00 H new ATOM 1105 N GLU A 75 112.953 -1.870 21.726 1.00 0.00 N ATOM 1106 CA GLU A 75 112.848 -0.531 22.380 1.00 0.00 C ATOM 1107 C GLU A 75 112.633 0.548 21.310 1.00 0.00 C ATOM 1108 O GLU A 75 113.230 0.512 20.254 1.00 0.00 O ATOM 1109 CB GLU A 75 114.142 -0.240 23.148 1.00 0.00 C ATOM 1110 CG GLU A 75 114.263 -1.196 24.336 1.00 0.00 C ATOM 1111 CD GLU A 75 115.583 -0.944 25.064 1.00 0.00 C ATOM 1112 OE1 GLU A 75 116.304 -0.051 24.651 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.852 -1.648 26.024 1.00 0.00 O ATOM 0 H GLU A 75 113.399 -1.869 20.809 1.00 0.00 H new ATOM 0 HA GLU A 75 112.004 -0.527 23.070 1.00 0.00 H new ATOM 0 HB2 GLU A 75 115.002 -0.355 22.488 1.00 0.00 H new ATOM 0 HB3 GLU A 75 114.144 0.792 23.498 1.00 0.00 H new ATOM 0 HG2 GLU A 75 113.426 -1.051 25.019 1.00 0.00 H new ATOM 0 HG3 GLU A 75 114.218 -2.229 23.991 1.00 0.00 H new ATOM 1120 N ASN A 76 111.805 1.514 21.592 1.00 0.00 N ATOM 1121 CA ASN A 76 111.555 2.600 20.593 1.00 0.00 C ATOM 1122 C ASN A 76 112.874 3.333 20.312 1.00 0.00 C ATOM 1123 O ASN A 76 113.711 3.475 21.181 1.00 0.00 O ATOM 1124 CB ASN A 76 110.528 3.590 21.158 1.00 0.00 C ATOM 1125 CG ASN A 76 109.121 3.001 21.026 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.946 1.799 21.082 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.104 3.800 20.853 1.00 0.00 N ATOM 0 H ASN A 76 111.290 1.602 22.468 1.00 0.00 H new ATOM 0 HA ASN A 76 111.168 2.170 19.669 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.748 3.801 22.205 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.588 4.538 20.623 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.163 3.416 20.765 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.250 4.808 20.806 1.00 0.00 H new ATOM 1134 N LEU A 77 113.071 3.787 19.102 1.00 0.00 N ATOM 1135 CA LEU A 77 114.336 4.509 18.765 1.00 0.00 C ATOM 1136 C LEU A 77 114.113 6.024 18.858 1.00 0.00 C ATOM 1137 O LEU A 77 114.976 6.807 18.509 1.00 0.00 O ATOM 1138 CB LEU A 77 114.761 4.142 17.338 1.00 0.00 C ATOM 1139 CG LEU A 77 116.251 4.445 17.138 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.095 3.311 17.725 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.544 4.568 15.640 1.00 0.00 C ATOM 0 H LEU A 77 112.410 3.689 18.331 1.00 0.00 H new ATOM 0 HA LEU A 77 115.116 4.219 19.469 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.569 3.085 17.153 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.167 4.705 16.617 1.00 0.00 H new ATOM 0 HG LEU A 77 116.500 5.378 17.643 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.152 3.532 17.580 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.887 3.217 18.791 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.847 2.376 17.223 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.602 4.783 15.493 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.292 3.632 15.142 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.947 5.376 15.218 1.00 0.00 H new ATOM 1153 N GLU A 78 112.961 6.446 19.310 1.00 0.00 N ATOM 1154 CA GLU A 78 112.695 7.909 19.410 1.00 0.00 C ATOM 1155 C GLU A 78 113.534 8.512 20.538 1.00 0.00 C ATOM 1156 O GLU A 78 114.097 9.580 20.398 1.00 0.00 O ATOM 1157 CB GLU A 78 111.205 8.145 19.682 1.00 0.00 C ATOM 1158 CG GLU A 78 110.799 7.461 20.988 1.00 0.00 C ATOM 1159 CD GLU A 78 110.891 8.469 22.138 1.00 0.00 C ATOM 1160 OE1 GLU A 78 111.677 9.394 22.025 1.00 0.00 O ATOM 1161 OE2 GLU A 78 110.176 8.297 23.110 1.00 0.00 O ATOM 0 H GLU A 78 112.196 5.843 19.613 1.00 0.00 H new ATOM 0 HA GLU A 78 112.967 8.390 18.470 1.00 0.00 H new ATOM 0 HB2 GLU A 78 111.003 9.214 19.743 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.610 7.755 18.857 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.783 7.074 20.909 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.450 6.609 21.183 1.00 0.00 H new ATOM 1168 N ASN A 79 113.633 7.838 21.650 1.00 0.00 N ATOM 1169 CA ASN A 79 114.445 8.382 22.776 1.00 0.00 C ATOM 1170 C ASN A 79 115.891 8.563 22.307 1.00 0.00 C ATOM 1171 O ASN A 79 116.617 9.401 22.807 1.00 0.00 O ATOM 1172 CB ASN A 79 114.404 7.408 23.955 1.00 0.00 C ATOM 1173 CG ASN A 79 115.250 7.962 25.103 1.00 0.00 C ATOM 1174 OD1 ASN A 79 115.399 9.161 25.238 1.00 0.00 O ATOM 1175 ND2 ASN A 79 115.814 7.136 25.941 1.00 0.00 N ATOM 0 H ASN A 79 113.189 6.937 21.828 1.00 0.00 H new ATOM 0 HA ASN A 79 114.039 9.343 23.092 1.00 0.00 H new ATOM 0 HB2 ASN A 79 113.375 7.262 24.285 1.00 0.00 H new ATOM 0 HB3 ASN A 79 114.782 6.433 23.648 1.00 0.00 H new ATOM 0 HD21 ASN A 79 116.380 7.496 26.709 1.00 0.00 H new ATOM 0 HD22 ASN A 79 115.689 6.130 25.828 1.00 0.00 H new ATOM 1182 N LYS A 80 116.316 7.783 21.345 1.00 0.00 N ATOM 1183 CA LYS A 80 117.708 7.909 20.834 1.00 0.00 C ATOM 1184 C LYS A 80 117.774 9.052 19.819 1.00 0.00 C ATOM 1185 O LYS A 80 118.669 9.874 19.849 1.00 0.00 O ATOM 1186 CB LYS A 80 118.116 6.596 20.158 1.00 0.00 C ATOM 1187 CG LYS A 80 119.473 6.766 19.468 1.00 0.00 C ATOM 1188 CD LYS A 80 120.529 7.161 20.502 1.00 0.00 C ATOM 1189 CE LYS A 80 121.926 6.923 19.924 1.00 0.00 C ATOM 1190 NZ LYS A 80 122.955 7.367 20.907 1.00 0.00 N ATOM 0 H LYS A 80 115.754 7.063 20.892 1.00 0.00 H new ATOM 0 HA LYS A 80 118.387 8.120 21.660 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.172 5.798 20.898 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.361 6.302 19.428 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.761 5.837 18.976 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.405 7.529 18.693 1.00 0.00 H new ATOM 0 HD2 LYS A 80 120.411 8.210 20.775 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.397 6.577 21.413 1.00 0.00 H new ATOM 0 HE2 LYS A 80 122.060 5.866 19.694 1.00 0.00 H new ATOM 0 HE3 LYS A 80 122.042 7.470 18.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 123.904 7.205 20.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 122.831 8.380 21.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 122.849 6.826 21.789 1.00 0.00 H new ATOM 1204 N LEU A 81 116.830 9.107 18.921 1.00 0.00 N ATOM 1205 CA LEU A 81 116.823 10.191 17.896 1.00 0.00 C ATOM 1206 C LEU A 81 115.388 10.685 17.696 1.00 0.00 C ATOM 1207 O LEU A 81 114.469 9.901 17.563 1.00 0.00 O ATOM 1208 CB LEU A 81 117.362 9.637 16.576 1.00 0.00 C ATOM 1209 CG LEU A 81 117.430 10.752 15.530 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.341 11.874 16.030 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.994 10.183 14.224 1.00 0.00 C ATOM 0 H LEU A 81 116.058 8.444 18.852 1.00 0.00 H new ATOM 0 HA LEU A 81 117.450 11.019 18.227 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.353 9.210 16.729 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.719 8.832 16.220 1.00 0.00 H new ATOM 0 HG LEU A 81 116.430 11.150 15.358 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.387 12.666 15.282 1.00 0.00 H new ATOM 0 HD12 LEU A 81 117.944 12.277 16.962 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.342 11.480 16.203 1.00 0.00 H new ATOM 0 HD21 LEU A 81 118.045 10.973 13.475 1.00 0.00 H new ATOM 0 HD22 LEU A 81 118.994 9.787 14.402 1.00 0.00 H new ATOM 0 HD23 LEU A 81 117.345 9.384 13.865 1.00 0.00 H new ATOM 1223 N LYS A 82 115.183 11.972 17.674 1.00 0.00 N ATOM 1224 CA LYS A 82 113.804 12.501 17.486 1.00 0.00 C ATOM 1225 C LYS A 82 113.500 12.610 15.990 1.00 0.00 C ATOM 1226 O LYS A 82 113.690 13.645 15.382 1.00 0.00 O ATOM 1227 CB LYS A 82 113.689 13.881 18.139 1.00 0.00 C ATOM 1228 CG LYS A 82 115.091 14.448 18.381 1.00 0.00 C ATOM 1229 CD LYS A 82 114.983 15.833 19.022 1.00 0.00 C ATOM 1230 CE LYS A 82 114.512 16.844 17.974 1.00 0.00 C ATOM 1231 NZ LYS A 82 114.745 18.228 18.478 1.00 0.00 N ATOM 0 H LYS A 82 115.910 12.680 17.778 1.00 0.00 H new ATOM 0 HA LYS A 82 113.088 11.824 17.952 1.00 0.00 H new ATOM 0 HB2 LYS A 82 113.119 14.553 17.497 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.148 13.805 19.082 1.00 0.00 H new ATOM 0 HG2 LYS A 82 115.657 13.780 19.030 1.00 0.00 H new ATOM 0 HG3 LYS A 82 115.635 14.514 17.439 1.00 0.00 H new ATOM 0 HD2 LYS A 82 114.283 15.806 19.857 1.00 0.00 H new ATOM 0 HD3 LYS A 82 115.949 16.135 19.426 1.00 0.00 H new ATOM 0 HE2 LYS A 82 115.050 16.691 17.038 1.00 0.00 H new ATOM 0 HE3 LYS A 82 113.453 16.697 17.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 114.425 18.915 17.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 114.213 18.370 19.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 115.760 18.365 18.660 1.00 0.00 H new ATOM 1245 N LEU A 83 113.038 11.547 15.390 1.00 0.00 N ATOM 1246 CA LEU A 83 112.716 11.583 13.934 1.00 0.00 C ATOM 1247 C LEU A 83 111.429 12.386 13.705 1.00 0.00 C ATOM 1248 O LEU A 83 110.538 12.402 14.531 1.00 0.00 O ATOM 1249 CB LEU A 83 112.516 10.156 13.421 1.00 0.00 C ATOM 1250 CG LEU A 83 113.823 9.371 13.553 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.584 7.914 13.149 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.884 9.983 12.636 1.00 0.00 C ATOM 0 H LEU A 83 112.869 10.651 15.847 1.00 0.00 H new ATOM 0 HA LEU A 83 113.539 12.056 13.398 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.726 9.663 13.988 1.00 0.00 H new ATOM 0 HB3 LEU A 83 112.196 10.176 12.379 1.00 0.00 H new ATOM 0 HG LEU A 83 114.168 9.413 14.586 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.514 7.353 13.242 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.829 7.475 13.801 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.239 7.875 12.116 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.814 9.423 12.731 1.00 0.00 H new ATOM 0 HD22 LEU A 83 114.540 9.941 11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 83 115.055 11.021 12.920 1.00 0.00 H new ATOM 1264 N THR A 84 111.329 13.048 12.582 1.00 0.00 N ATOM 1265 CA THR A 84 110.112 13.858 12.293 1.00 0.00 C ATOM 1266 C THR A 84 109.546 13.456 10.928 1.00 0.00 C ATOM 1267 O THR A 84 110.218 12.838 10.124 1.00 0.00 O ATOM 1268 CB THR A 84 110.482 15.346 12.267 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.362 15.594 11.180 1.00 0.00 O ATOM 1270 CG2 THR A 84 111.167 15.729 13.579 1.00 0.00 C ATOM 0 H THR A 84 112.041 13.062 11.851 1.00 0.00 H new ATOM 0 HA THR A 84 109.366 13.680 13.067 1.00 0.00 H new ATOM 0 HB THR A 84 109.578 15.943 12.147 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.598 16.545 11.161 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.429 16.787 13.557 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.490 15.540 14.412 1.00 0.00 H new ATOM 0 HG23 THR A 84 112.072 15.134 13.704 1.00 0.00 H new ATOM 1278 N ASN A 85 108.315 13.796 10.657 1.00 0.00 N ATOM 1279 CA ASN A 85 107.717 13.442 9.336 1.00 0.00 C ATOM 1280 C ASN A 85 107.855 11.937 9.099 1.00 0.00 C ATOM 1281 O ASN A 85 108.350 11.502 8.078 1.00 0.00 O ATOM 1282 CB ASN A 85 108.442 14.204 8.224 1.00 0.00 C ATOM 1283 CG ASN A 85 108.136 15.698 8.345 1.00 0.00 C ATOM 1284 OD1 ASN A 85 106.989 16.091 8.432 1.00 0.00 O ATOM 1285 ND2 ASN A 85 109.121 16.556 8.352 1.00 0.00 N ATOM 0 H ASN A 85 107.698 14.303 11.291 1.00 0.00 H new ATOM 0 HA ASN A 85 106.662 13.714 9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.517 14.035 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 85 108.124 13.835 7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 85 108.927 17.554 8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 85 110.084 16.228 8.279 1.00 0.00 H new ATOM 1292 N ILE A 86 107.430 11.141 10.039 1.00 0.00 N ATOM 1293 CA ILE A 86 107.532 9.663 9.877 1.00 0.00 C ATOM 1294 C ILE A 86 106.383 9.148 8.997 1.00 0.00 C ATOM 1295 O ILE A 86 105.231 9.468 9.209 1.00 0.00 O ATOM 1296 CB ILE A 86 107.462 9.005 11.255 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.691 9.419 12.071 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.440 7.484 11.101 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.508 8.992 13.529 1.00 0.00 C ATOM 0 H ILE A 86 107.014 11.451 10.917 1.00 0.00 H new ATOM 0 HA ILE A 86 108.479 9.415 9.397 1.00 0.00 H new ATOM 0 HB ILE A 86 106.554 9.325 11.766 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.587 8.958 11.656 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.832 10.498 12.013 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.390 7.019 12.086 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.568 7.190 10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.346 7.157 10.591 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.383 9.288 14.107 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.621 9.474 13.941 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.389 7.910 13.579 1.00 0.00 H new ATOM 1311 N ILE A 87 106.699 8.345 8.010 1.00 0.00 N ATOM 1312 CA ILE A 87 105.642 7.797 7.108 1.00 0.00 C ATOM 1313 C ILE A 87 105.717 6.264 7.114 1.00 0.00 C ATOM 1314 O ILE A 87 106.739 5.686 6.800 1.00 0.00 O ATOM 1315 CB ILE A 87 105.884 8.301 5.678 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.830 9.833 5.645 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.814 7.730 4.746 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.485 10.320 6.189 1.00 0.00 C ATOM 0 H ILE A 87 107.649 8.045 7.791 1.00 0.00 H new ATOM 0 HA ILE A 87 104.661 8.123 7.455 1.00 0.00 H new ATOM 0 HB ILE A 87 106.869 7.973 5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.644 10.247 6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 87 105.969 10.188 4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 87 104.987 8.088 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.863 6.641 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.829 8.053 5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.455 11.409 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.678 9.919 5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.363 9.979 7.217 1.00 0.00 H new ATOM 1330 N MET A 88 104.648 5.597 7.468 1.00 0.00 N ATOM 1331 CA MET A 88 104.680 4.102 7.484 1.00 0.00 C ATOM 1332 C MET A 88 103.567 3.543 6.587 1.00 0.00 C ATOM 1333 O MET A 88 102.400 3.594 6.922 1.00 0.00 O ATOM 1334 CB MET A 88 104.478 3.598 8.915 1.00 0.00 C ATOM 1335 CG MET A 88 105.564 4.179 9.822 1.00 0.00 C ATOM 1336 SD MET A 88 105.339 3.562 11.510 1.00 0.00 S ATOM 1337 CE MET A 88 105.864 1.856 11.209 1.00 0.00 C ATOM 0 H MET A 88 103.761 6.018 7.745 1.00 0.00 H new ATOM 0 HA MET A 88 105.647 3.765 7.110 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.492 3.889 9.278 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.516 2.509 8.937 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.550 3.900 9.450 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.516 5.268 9.812 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.372 1.470 12.093 1.00 0.00 H new ATOM 0 HE2 MET A 88 104.991 1.239 10.994 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.545 1.830 10.358 1.00 0.00 H new ATOM 1347 N ASP A 89 103.923 2.999 5.453 1.00 0.00 N ATOM 1348 CA ASP A 89 102.896 2.429 4.533 1.00 0.00 C ATOM 1349 C ASP A 89 103.103 0.916 4.432 1.00 0.00 C ATOM 1350 O ASP A 89 103.988 0.445 3.743 1.00 0.00 O ATOM 1351 CB ASP A 89 103.048 3.058 3.144 1.00 0.00 C ATOM 1352 CG ASP A 89 102.579 4.513 3.185 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.932 4.879 4.152 1.00 0.00 O ATOM 1354 OD2 ASP A 89 102.874 5.237 2.248 1.00 0.00 O ATOM 0 H ASP A 89 104.885 2.925 5.123 1.00 0.00 H new ATOM 0 HA ASP A 89 101.898 2.641 4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.089 3.010 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.464 2.498 2.414 1.00 0.00 H new ATOM 1359 N HIS A 90 102.307 0.147 5.124 1.00 0.00 N ATOM 1360 CA HIS A 90 102.466 -1.334 5.075 1.00 0.00 C ATOM 1361 C HIS A 90 101.973 -1.886 3.734 1.00 0.00 C ATOM 1362 O HIS A 90 102.509 -2.845 3.215 1.00 0.00 O ATOM 1363 CB HIS A 90 101.665 -1.969 6.213 1.00 0.00 C ATOM 1364 CG HIS A 90 102.292 -1.603 7.530 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.410 -2.259 8.026 1.00 0.00 N ATOM 1366 CD2 HIS A 90 101.969 -0.652 8.468 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.716 -1.701 9.212 1.00 0.00 C ATOM 1368 NE2 HIS A 90 102.869 -0.719 9.524 1.00 0.00 N ATOM 0 H HIS A 90 101.552 0.482 5.722 1.00 0.00 H new ATOM 0 HA HIS A 90 103.523 -1.576 5.185 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.631 -1.624 6.181 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.643 -3.053 6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 90 101.143 0.040 8.395 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.544 -2.010 9.833 1.00 0.00 H new ATOM 0 HE2 HIS A 90 102.880 -0.139 10.363 1.00 0.00 H new ATOM 1377 N TYR A 91 100.951 -1.302 3.169 1.00 0.00 N ATOM 1378 CA TYR A 91 100.435 -1.816 1.867 1.00 0.00 C ATOM 1379 C TYR A 91 101.536 -1.731 0.809 1.00 0.00 C ATOM 1380 O TYR A 91 101.765 -2.664 0.063 1.00 0.00 O ATOM 1381 CB TYR A 91 99.232 -0.983 1.422 1.00 0.00 C ATOM 1382 CG TYR A 91 98.776 -1.455 0.062 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.068 -2.657 -0.061 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.062 -0.692 -1.076 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.649 -3.097 -1.323 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.643 -1.131 -2.337 1.00 0.00 C ATOM 1387 CZ TYR A 91 97.936 -2.334 -2.461 1.00 0.00 C ATOM 1388 OH TYR A 91 97.523 -2.766 -3.704 1.00 0.00 O ATOM 0 H TYR A 91 100.454 -0.497 3.549 1.00 0.00 H new ATOM 0 HA TYR A 91 100.128 -2.855 1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.421 -1.079 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.500 0.073 1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.845 -3.245 0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.606 0.236 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.105 -4.025 -1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.865 -0.542 -3.215 1.00 0.00 H new ATOM 0 HH TYR A 91 97.803 -2.119 -4.385 1.00 0.00 H new ATOM 1398 N ASN A 92 102.225 -0.625 0.736 1.00 0.00 N ATOM 1399 CA ASN A 92 103.311 -0.494 -0.276 1.00 0.00 C ATOM 1400 C ASN A 92 104.623 -0.993 0.332 1.00 0.00 C ATOM 1401 O ASN A 92 105.639 -1.075 -0.332 1.00 0.00 O ATOM 1402 CB ASN A 92 103.456 0.974 -0.686 1.00 0.00 C ATOM 1403 CG ASN A 92 102.277 1.372 -1.577 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.621 0.526 -2.151 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.979 2.635 -1.719 1.00 0.00 N ATOM 0 H ASN A 92 102.083 0.191 1.331 1.00 0.00 H new ATOM 0 HA ASN A 92 103.067 -1.087 -1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.487 1.609 0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.395 1.123 -1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.196 2.911 -2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.529 3.346 -1.237 1.00 0.00 H new ATOM 1412 N ASN A 93 104.604 -1.338 1.592 1.00 0.00 N ATOM 1413 CA ASN A 93 105.840 -1.847 2.251 1.00 0.00 C ATOM 1414 C ASN A 93 106.980 -0.834 2.090 1.00 0.00 C ATOM 1415 O ASN A 93 108.086 -1.183 1.728 1.00 0.00 O ATOM 1416 CB ASN A 93 106.243 -3.178 1.611 1.00 0.00 C ATOM 1417 CG ASN A 93 105.229 -4.259 1.995 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.459 -4.085 2.918 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.197 -5.377 1.322 1.00 0.00 N ATOM 0 H ASN A 93 103.782 -1.289 2.194 1.00 0.00 H new ATOM 0 HA ASN A 93 105.645 -1.993 3.313 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.286 -3.074 0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.240 -3.466 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.526 -6.103 1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.843 -5.524 0.547 1.00 0.00 H new ATOM 1426 N THR A 94 106.725 0.420 2.362 1.00 0.00 N ATOM 1427 CA THR A 94 107.799 1.447 2.223 1.00 0.00 C ATOM 1428 C THR A 94 107.831 2.328 3.478 1.00 0.00 C ATOM 1429 O THR A 94 106.806 2.735 3.987 1.00 0.00 O ATOM 1430 CB THR A 94 107.523 2.316 0.994 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.453 3.391 0.956 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.100 2.872 1.067 1.00 0.00 C ATOM 0 H THR A 94 105.821 0.776 2.674 1.00 0.00 H new ATOM 0 HA THR A 94 108.762 0.950 2.104 1.00 0.00 H new ATOM 0 HB THR A 94 107.628 1.712 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.109 4.101 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.906 3.491 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.388 2.047 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 94 105.991 3.475 1.968 1.00 0.00 H new ATOM 1440 N PHE A 95 109.005 2.618 3.986 1.00 0.00 N ATOM 1441 CA PHE A 95 109.100 3.461 5.213 1.00 0.00 C ATOM 1442 C PHE A 95 110.034 4.652 4.961 1.00 0.00 C ATOM 1443 O PHE A 95 111.072 4.521 4.341 1.00 0.00 O ATOM 1444 CB PHE A 95 109.660 2.610 6.357 1.00 0.00 C ATOM 1445 CG PHE A 95 108.751 1.429 6.599 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.896 0.266 5.831 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.765 1.495 7.589 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.052 -0.830 6.055 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.922 0.401 7.813 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.065 -0.762 7.046 1.00 0.00 C ATOM 0 H PHE A 95 109.898 2.307 3.603 1.00 0.00 H new ATOM 0 HA PHE A 95 108.110 3.835 5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.664 2.265 6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.743 3.210 7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.658 0.214 5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.654 2.391 8.181 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.163 -1.727 5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.161 0.453 8.577 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.414 -1.606 7.219 1.00 0.00 H new ATOM 1460 N TYR A 96 109.679 5.813 5.452 1.00 0.00 N ATOM 1461 CA TYR A 96 110.547 7.013 5.253 1.00 0.00 C ATOM 1462 C TYR A 96 110.671 7.778 6.576 1.00 0.00 C ATOM 1463 O TYR A 96 109.746 7.834 7.360 1.00 0.00 O ATOM 1464 CB TYR A 96 109.920 7.950 4.215 1.00 0.00 C ATOM 1465 CG TYR A 96 109.707 7.225 2.909 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.710 7.226 1.932 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.495 6.566 2.667 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.502 6.565 0.715 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.286 5.908 1.450 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.290 5.907 0.474 1.00 0.00 C ATOM 1471 OH TYR A 96 109.085 5.260 -0.727 1.00 0.00 O ATOM 0 H TYR A 96 108.824 5.981 5.983 1.00 0.00 H new ATOM 0 HA TYR A 96 111.527 6.682 4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.968 8.329 4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.567 8.813 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.644 7.736 2.117 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.721 6.566 3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.277 6.563 -0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.351 5.401 1.264 1.00 0.00 H new ATOM 0 HH TYR A 96 109.947 4.973 -1.095 1.00 0.00 H new ATOM 1481 N SER A 97 111.802 8.385 6.822 1.00 0.00 N ATOM 1482 CA SER A 97 111.974 9.170 8.082 1.00 0.00 C ATOM 1483 C SER A 97 112.873 10.379 7.804 1.00 0.00 C ATOM 1484 O SER A 97 113.793 10.311 7.013 1.00 0.00 O ATOM 1485 CB SER A 97 112.610 8.293 9.159 1.00 0.00 C ATOM 1486 OG SER A 97 112.735 9.041 10.362 1.00 0.00 O ATOM 0 H SER A 97 112.615 8.372 6.206 1.00 0.00 H new ATOM 0 HA SER A 97 111.000 9.510 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.999 7.407 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 97 113.589 7.946 8.830 1.00 0.00 H new ATOM 0 HG SER A 97 112.157 9.831 10.317 1.00 0.00 H new ATOM 1492 N ARG A 98 112.616 11.489 8.447 1.00 0.00 N ATOM 1493 CA ARG A 98 113.456 12.700 8.206 1.00 0.00 C ATOM 1494 C ARG A 98 114.477 12.847 9.341 1.00 0.00 C ATOM 1495 O ARG A 98 114.133 12.821 10.506 1.00 0.00 O ATOM 1496 CB ARG A 98 112.563 13.947 8.158 1.00 0.00 C ATOM 1497 CG ARG A 98 111.890 14.048 6.781 1.00 0.00 C ATOM 1498 CD ARG A 98 110.941 12.866 6.593 1.00 0.00 C ATOM 1499 NE ARG A 98 111.582 11.859 5.685 1.00 0.00 N ATOM 1500 CZ ARG A 98 111.362 11.865 4.401 1.00 0.00 C ATOM 1501 NH1 ARG A 98 110.438 12.642 3.897 1.00 0.00 N ATOM 1502 NH2 ARG A 98 112.029 11.062 3.620 1.00 0.00 N ATOM 0 H ARG A 98 111.864 11.609 9.126 1.00 0.00 H new ATOM 0 HA ARG A 98 113.979 12.593 7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 98 111.806 13.895 8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.158 14.840 8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 98 111.341 14.986 6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 98 112.645 14.052 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.712 12.411 7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 98 109.996 13.206 6.169 1.00 0.00 H new ATOM 0 HE ARG A 98 112.204 11.154 6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 98 109.888 13.245 4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 98 110.267 12.645 2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 98 112.724 10.428 4.014 1.00 0.00 H new ATOM 0 HH22 ARG A 98 111.856 11.068 2.615 1.00 0.00 H new ATOM 1516 N LEU A 99 115.730 13.002 9.008 1.00 0.00 N ATOM 1517 CA LEU A 99 116.783 13.140 10.059 1.00 0.00 C ATOM 1518 C LEU A 99 116.964 14.618 10.415 1.00 0.00 C ATOM 1519 O LEU A 99 117.001 15.462 9.542 1.00 0.00 O ATOM 1520 CB LEU A 99 118.113 12.608 9.510 1.00 0.00 C ATOM 1521 CG LEU A 99 118.006 11.115 9.196 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.285 10.655 8.494 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.831 10.330 10.498 1.00 0.00 C ATOM 0 H LEU A 99 116.073 13.039 8.048 1.00 0.00 H new ATOM 0 HA LEU A 99 116.484 12.578 10.944 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.386 13.156 8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 99 118.907 12.776 10.238 1.00 0.00 H new ATOM 0 HG LEU A 99 117.147 10.939 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.214 9.591 8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.413 11.215 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.141 10.831 9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.755 9.266 10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.690 10.504 11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 99 116.923 10.660 11.003 1.00 0.00 H new ATOM 1535 N PRO A 100 117.109 14.936 11.678 1.00 0.00 N ATOM 1536 CA PRO A 100 117.335 16.340 12.114 1.00 0.00 C ATOM 1537 C PRO A 100 118.402 17.018 11.249 1.00 0.00 C ATOM 1538 O PRO A 100 118.905 16.441 10.306 1.00 0.00 O ATOM 1539 CB PRO A 100 117.826 16.202 13.553 1.00 0.00 C ATOM 1540 CG PRO A 100 117.239 14.921 14.048 1.00 0.00 C ATOM 1541 CD PRO A 100 117.058 14.011 12.825 1.00 0.00 C ATOM 0 HA PRO A 100 116.438 16.953 12.026 1.00 0.00 H new ATOM 0 HB2 PRO A 100 118.915 16.179 13.597 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.501 17.045 14.162 1.00 0.00 H new ATOM 0 HG2 PRO A 100 117.895 14.454 14.783 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.284 15.099 14.541 1.00 0.00 H new ATOM 0 HD2 PRO A 100 117.846 13.260 12.767 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.109 13.476 12.863 1.00 0.00 H new ATOM 1549 N SER A 101 118.748 18.236 11.551 1.00 0.00 N ATOM 1550 CA SER A 101 119.774 18.936 10.729 1.00 0.00 C ATOM 1551 C SER A 101 121.167 18.680 11.312 1.00 0.00 C ATOM 1552 O SER A 101 122.169 19.039 10.727 1.00 0.00 O ATOM 1553 CB SER A 101 119.488 20.438 10.731 1.00 0.00 C ATOM 1554 OG SER A 101 119.688 20.952 12.042 1.00 0.00 O ATOM 0 H SER A 101 118.367 18.776 12.328 1.00 0.00 H new ATOM 0 HA SER A 101 119.737 18.558 9.707 1.00 0.00 H new ATOM 0 HB2 SER A 101 120.145 20.946 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 101 118.464 20.626 10.406 1.00 0.00 H new ATOM 0 HG SER A 101 119.507 21.915 12.047 1.00 0.00 H new ATOM 1560 N LEU A 102 121.240 18.074 12.469 1.00 0.00 N ATOM 1561 CA LEU A 102 122.570 17.824 13.093 1.00 0.00 C ATOM 1562 C LEU A 102 122.642 16.395 13.647 1.00 0.00 C ATOM 1563 O LEU A 102 121.776 15.956 14.378 1.00 0.00 O ATOM 1564 CB LEU A 102 122.772 18.823 14.237 1.00 0.00 C ATOM 1565 CG LEU A 102 124.107 18.558 14.937 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.246 18.627 13.918 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.328 19.619 16.018 1.00 0.00 C ATOM 0 H LEU A 102 120.438 17.743 13.006 1.00 0.00 H new ATOM 0 HA LEU A 102 123.349 17.946 12.341 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.752 19.841 13.849 1.00 0.00 H new ATOM 0 HB3 LEU A 102 121.954 18.739 14.953 1.00 0.00 H new ATOM 0 HG LEU A 102 124.089 17.567 15.391 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.195 18.438 14.420 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.088 17.875 13.145 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.267 19.617 13.463 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.278 19.435 16.520 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.346 20.608 15.559 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.518 19.571 16.746 1.00 0.00 H new ATOM 1579 N ILE A 103 123.678 15.674 13.311 1.00 0.00 N ATOM 1580 CA ILE A 103 123.840 14.283 13.835 1.00 0.00 C ATOM 1581 C ILE A 103 125.335 13.958 13.922 1.00 0.00 C ATOM 1582 O ILE A 103 125.995 13.776 12.917 1.00 0.00 O ATOM 1583 CB ILE A 103 123.153 13.284 12.900 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.634 13.432 13.015 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.555 11.861 13.291 1.00 0.00 C ATOM 1586 CD1 ILE A 103 120.950 12.435 12.075 1.00 0.00 C ATOM 0 H ILE A 103 124.425 15.989 12.692 1.00 0.00 H new ATOM 0 HA ILE A 103 123.383 14.211 14.822 1.00 0.00 H new ATOM 0 HB ILE A 103 123.460 13.482 11.873 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.318 13.255 14.043 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.337 14.450 12.761 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.066 11.149 12.626 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.636 11.752 13.207 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.249 11.666 14.319 1.00 0.00 H new ATOM 0 HD11 ILE A 103 119.868 12.541 12.157 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.257 12.634 11.048 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.237 11.420 12.350 1.00 0.00 H new ATOM 1598 N SER A 104 125.877 13.887 15.107 1.00 0.00 N ATOM 1599 CA SER A 104 127.330 13.581 15.242 1.00 0.00 C ATOM 1600 C SER A 104 127.509 12.183 15.839 1.00 0.00 C ATOM 1601 O SER A 104 128.615 11.726 16.048 1.00 0.00 O ATOM 1602 CB SER A 104 127.981 14.616 16.164 1.00 0.00 C ATOM 1603 OG SER A 104 127.432 14.492 17.469 1.00 0.00 O ATOM 0 H SER A 104 125.378 14.027 15.986 1.00 0.00 H new ATOM 0 HA SER A 104 127.801 13.616 14.260 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.060 14.465 16.195 1.00 0.00 H new ATOM 0 HB3 SER A 104 127.811 15.621 15.779 1.00 0.00 H new ATOM 0 HG SER A 104 127.847 15.152 18.063 1.00 0.00 H new ATOM 1609 N ASP A 105 126.433 11.504 16.123 1.00 0.00 N ATOM 1610 CA ASP A 105 126.548 10.139 16.713 1.00 0.00 C ATOM 1611 C ASP A 105 126.785 9.107 15.607 1.00 0.00 C ATOM 1612 O ASP A 105 126.386 9.292 14.474 1.00 0.00 O ATOM 1613 CB ASP A 105 125.255 9.798 17.458 1.00 0.00 C ATOM 1614 CG ASP A 105 125.272 10.452 18.841 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.292 11.018 19.195 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.264 10.373 19.523 1.00 0.00 O ATOM 0 H ASP A 105 125.480 11.834 15.973 1.00 0.00 H new ATOM 0 HA ASP A 105 127.389 10.119 17.406 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.393 10.148 16.890 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.155 8.717 17.557 1.00 0.00 H new ATOM 1621 N ASN A 106 127.428 8.018 15.932 1.00 0.00 N ATOM 1622 CA ASN A 106 127.690 6.962 14.911 1.00 0.00 C ATOM 1623 C ASN A 106 126.649 5.851 15.062 1.00 0.00 C ATOM 1624 O ASN A 106 126.932 4.691 14.839 1.00 0.00 O ATOM 1625 CB ASN A 106 129.087 6.373 15.134 1.00 0.00 C ATOM 1626 CG ASN A 106 130.151 7.435 14.853 1.00 0.00 C ATOM 1627 OD1 ASN A 106 129.980 8.271 13.989 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.252 7.435 15.556 1.00 0.00 N ATOM 0 H ASN A 106 127.785 7.813 16.865 1.00 0.00 H new ATOM 0 HA ASN A 106 127.630 7.395 13.913 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.181 6.014 16.159 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.237 5.513 14.481 1.00 0.00 H new ATOM 0 HD21 ASN A 106 131.970 8.138 15.380 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.394 6.732 16.281 1.00 0.00 H new ATOM 1635 N TRP A 107 125.454 6.194 15.461 1.00 0.00 N ATOM 1636 CA TRP A 107 124.408 5.150 15.658 1.00 0.00 C ATOM 1637 C TRP A 107 124.038 4.502 14.323 1.00 0.00 C ATOM 1638 O TRP A 107 124.127 5.108 13.272 1.00 0.00 O ATOM 1639 CB TRP A 107 123.160 5.781 16.284 1.00 0.00 C ATOM 1640 CG TRP A 107 122.605 6.830 15.373 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.175 8.034 15.135 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.380 6.793 14.584 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.378 8.738 14.248 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.261 8.015 13.881 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.371 5.828 14.411 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.180 8.271 13.036 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.280 6.083 13.562 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.185 7.303 12.876 1.00 0.00 C ATOM 0 H TRP A 107 125.157 7.150 15.659 1.00 0.00 H new ATOM 0 HA TRP A 107 124.804 4.382 16.323 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.408 5.014 16.469 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.410 6.221 17.249 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.100 8.388 15.566 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.590 9.676 13.908 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.435 4.885 14.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.113 9.211 12.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.511 5.335 13.437 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.344 7.494 12.225 1.00 0.00 H new ATOM 1659 N LYS A 108 123.625 3.263 14.366 1.00 0.00 N ATOM 1660 CA LYS A 108 123.230 2.547 13.122 1.00 0.00 C ATOM 1661 C LYS A 108 121.916 1.798 13.378 1.00 0.00 C ATOM 1662 O LYS A 108 121.587 1.476 14.503 1.00 0.00 O ATOM 1663 CB LYS A 108 124.320 1.542 12.746 1.00 0.00 C ATOM 1664 CG LYS A 108 125.675 2.250 12.687 1.00 0.00 C ATOM 1665 CD LYS A 108 126.720 1.311 12.079 1.00 0.00 C ATOM 1666 CE LYS A 108 127.006 0.159 13.045 1.00 0.00 C ATOM 1667 NZ LYS A 108 128.245 -0.552 12.618 1.00 0.00 N ATOM 0 H LYS A 108 123.544 2.712 15.221 1.00 0.00 H new ATOM 0 HA LYS A 108 123.100 3.261 12.309 1.00 0.00 H new ATOM 0 HB2 LYS A 108 124.352 0.735 13.478 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.093 1.089 11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 108 125.596 3.158 12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 108 125.982 2.553 13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.360 0.919 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 108 127.638 1.860 11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 108 127.124 0.541 14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 108 126.164 -0.533 13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 128.440 -1.335 13.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 128.115 -0.929 11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 129.046 0.112 12.624 1.00 0.00 H new ATOM 1681 N PHE A 109 121.168 1.512 12.351 1.00 0.00 N ATOM 1682 CA PHE A 109 119.881 0.781 12.547 1.00 0.00 C ATOM 1683 C PHE A 109 119.514 0.064 11.247 1.00 0.00 C ATOM 1684 O PHE A 109 119.990 0.416 10.186 1.00 0.00 O ATOM 1685 CB PHE A 109 118.778 1.771 12.937 1.00 0.00 C ATOM 1686 CG PHE A 109 118.382 2.609 11.746 1.00 0.00 C ATOM 1687 CD1 PHE A 109 119.066 3.797 11.466 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.322 2.200 10.928 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.691 4.577 10.365 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.947 2.981 9.828 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.632 4.169 9.546 1.00 0.00 C ATOM 0 H PHE A 109 121.389 1.751 11.384 1.00 0.00 H new ATOM 0 HA PHE A 109 119.988 0.048 13.346 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.910 1.229 13.314 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.127 2.415 13.744 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.883 4.112 12.099 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.794 1.283 11.145 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.219 5.494 10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.129 2.667 9.197 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.343 4.770 8.697 1.00 0.00 H new ATOM 1701 N PHE A 110 118.696 -0.955 11.308 1.00 0.00 N ATOM 1702 CA PHE A 110 118.343 -1.673 10.046 1.00 0.00 C ATOM 1703 C PHE A 110 116.953 -2.315 10.132 1.00 0.00 C ATOM 1704 O PHE A 110 116.454 -2.622 11.197 1.00 0.00 O ATOM 1705 CB PHE A 110 119.382 -2.763 9.791 1.00 0.00 C ATOM 1706 CG PHE A 110 119.533 -3.625 11.027 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.300 -3.170 12.109 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.910 -4.878 11.090 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.443 -3.969 13.251 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.055 -5.676 12.233 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.821 -5.222 13.312 1.00 0.00 C ATOM 0 H PHE A 110 118.264 -1.316 12.159 1.00 0.00 H new ATOM 0 HA PHE A 110 118.332 -0.949 9.231 1.00 0.00 H new ATOM 0 HB2 PHE A 110 119.078 -3.377 8.943 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.340 -2.312 9.531 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.780 -2.204 12.062 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.318 -5.229 10.258 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.033 -3.618 14.085 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.575 -6.642 12.281 1.00 0.00 H new ATOM 0 HZ PHE A 110 119.933 -5.838 14.192 1.00 0.00 H new ATOM 1721 N CYS A 111 116.345 -2.540 8.990 1.00 0.00 N ATOM 1722 CA CYS A 111 114.997 -3.177 8.943 1.00 0.00 C ATOM 1723 C CYS A 111 115.110 -4.456 8.108 1.00 0.00 C ATOM 1724 O CYS A 111 116.033 -4.608 7.330 1.00 0.00 O ATOM 1725 CB CYS A 111 113.992 -2.227 8.290 1.00 0.00 C ATOM 1726 SG CYS A 111 113.708 -0.804 9.374 1.00 0.00 S ATOM 0 H CYS A 111 116.735 -2.304 8.078 1.00 0.00 H new ATOM 0 HA CYS A 111 114.653 -3.406 9.952 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.368 -1.891 7.324 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.053 -2.748 8.103 1.00 0.00 H new ATOM 1731 N VAL A 112 114.209 -5.392 8.264 1.00 0.00 N ATOM 1732 CA VAL A 112 114.333 -6.650 7.472 1.00 0.00 C ATOM 1733 C VAL A 112 113.001 -7.044 6.822 1.00 0.00 C ATOM 1734 O VAL A 112 111.932 -6.796 7.345 1.00 0.00 O ATOM 1735 CB VAL A 112 114.782 -7.781 8.398 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.728 -9.112 7.646 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.214 -7.516 8.866 1.00 0.00 C ATOM 0 H VAL A 112 113.408 -5.342 8.893 1.00 0.00 H new ATOM 0 HA VAL A 112 115.063 -6.480 6.681 1.00 0.00 H new ATOM 0 HB VAL A 112 114.119 -7.828 9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 112 115.048 -9.917 8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.707 -9.301 7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.390 -9.068 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.536 -8.321 9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.876 -7.469 8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.252 -6.569 9.404 1.00 0.00 H new ATOM 1747 N CYS A 113 113.081 -7.701 5.692 1.00 0.00 N ATOM 1748 CA CYS A 113 111.861 -8.180 4.979 1.00 0.00 C ATOM 1749 C CYS A 113 112.058 -9.672 4.700 1.00 0.00 C ATOM 1750 O CYS A 113 113.120 -10.082 4.276 1.00 0.00 O ATOM 1751 CB CYS A 113 111.708 -7.432 3.648 1.00 0.00 C ATOM 1752 SG CYS A 113 111.533 -5.655 3.948 1.00 0.00 S ATOM 0 H CYS A 113 113.959 -7.929 5.226 1.00 0.00 H new ATOM 0 HA CYS A 113 110.969 -8.005 5.581 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.576 -7.618 3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 113 110.836 -7.805 3.110 1.00 0.00 H new ATOM 1757 N SER A 114 111.081 -10.504 4.949 1.00 0.00 N ATOM 1758 CA SER A 114 111.304 -11.958 4.694 1.00 0.00 C ATOM 1759 C SER A 114 109.993 -12.750 4.740 1.00 0.00 C ATOM 1760 O SER A 114 108.937 -12.228 5.036 1.00 0.00 O ATOM 1761 CB SER A 114 112.235 -12.504 5.776 1.00 0.00 C ATOM 1762 OG SER A 114 111.709 -12.169 7.055 1.00 0.00 O ATOM 0 H SER A 114 110.161 -10.250 5.309 1.00 0.00 H new ATOM 0 HA SER A 114 111.737 -12.067 3.700 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.330 -13.586 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.234 -12.085 5.659 1.00 0.00 H new ATOM 0 HG SER A 114 112.301 -12.518 7.754 1.00 0.00 H new ATOM 1768 N LYS A 115 110.084 -14.023 4.464 1.00 0.00 N ATOM 1769 CA LYS A 115 108.895 -14.921 4.500 1.00 0.00 C ATOM 1770 C LYS A 115 109.390 -16.348 4.735 1.00 0.00 C ATOM 1771 O LYS A 115 110.571 -16.618 4.642 1.00 0.00 O ATOM 1772 CB LYS A 115 108.134 -14.873 3.169 1.00 0.00 C ATOM 1773 CG LYS A 115 107.166 -13.688 3.152 1.00 0.00 C ATOM 1774 CD LYS A 115 106.243 -13.805 1.934 1.00 0.00 C ATOM 1775 CE LYS A 115 105.159 -12.726 2.003 1.00 0.00 C ATOM 1776 NZ LYS A 115 104.371 -12.894 3.259 1.00 0.00 N ATOM 0 H LYS A 115 110.955 -14.489 4.209 1.00 0.00 H new ATOM 0 HA LYS A 115 108.222 -14.598 5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.839 -14.787 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.584 -15.803 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 115 106.577 -13.672 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 115 107.721 -12.751 3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 115 106.821 -13.696 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.785 -14.794 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 115 105.614 -11.736 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 115 104.502 -12.799 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 103.484 -12.355 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 104.154 -13.901 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 104.925 -12.543 4.066 1.00 0.00 H new ATOM 1790 N ASP A 116 108.516 -17.265 5.031 1.00 0.00 N ATOM 1791 CA ASP A 116 108.969 -18.667 5.246 1.00 0.00 C ATOM 1792 C ASP A 116 109.696 -19.164 3.990 1.00 0.00 C ATOM 1793 O ASP A 116 109.382 -18.768 2.886 1.00 0.00 O ATOM 1794 CB ASP A 116 107.756 -19.558 5.525 1.00 0.00 C ATOM 1795 CG ASP A 116 107.272 -19.327 6.959 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.013 -18.731 7.724 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.171 -19.749 7.267 1.00 0.00 O ATOM 0 H ASP A 116 107.513 -17.108 5.133 1.00 0.00 H new ATOM 0 HA ASP A 116 109.648 -18.706 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 116 106.956 -19.333 4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.021 -20.606 5.384 1.00 0.00 H new ATOM 1802 N ASN A 117 110.664 -20.026 4.151 1.00 0.00 N ATOM 1803 CA ASN A 117 111.409 -20.544 2.965 1.00 0.00 C ATOM 1804 C ASN A 117 111.668 -19.399 1.973 1.00 0.00 C ATOM 1805 O ASN A 117 111.220 -19.437 0.844 1.00 0.00 O ATOM 1806 CB ASN A 117 110.582 -21.632 2.278 1.00 0.00 C ATOM 1807 CG ASN A 117 111.458 -22.387 1.276 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.657 -22.483 1.451 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.907 -22.933 0.226 1.00 0.00 N ATOM 0 H ASN A 117 110.971 -20.394 5.051 1.00 0.00 H new ATOM 0 HA ASN A 117 112.361 -20.960 3.293 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.183 -22.323 3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.729 -21.186 1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.483 -23.440 -0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.901 -22.853 0.078 1.00 0.00 H new ATOM 1816 N GLU A 118 112.381 -18.384 2.379 1.00 0.00 N ATOM 1817 CA GLU A 118 112.650 -17.241 1.453 1.00 0.00 C ATOM 1818 C GLU A 118 113.906 -16.483 1.899 1.00 0.00 C ATOM 1819 O GLU A 118 114.096 -16.211 3.067 1.00 0.00 O ATOM 1820 CB GLU A 118 111.458 -16.276 1.479 1.00 0.00 C ATOM 1821 CG GLU A 118 110.330 -16.809 0.593 1.00 0.00 C ATOM 1822 CD GLU A 118 110.841 -16.951 -0.846 1.00 0.00 C ATOM 1823 OE1 GLU A 118 111.813 -16.290 -1.176 1.00 0.00 O ATOM 1824 OE2 GLU A 118 110.259 -17.722 -1.591 1.00 0.00 O ATOM 0 H GLU A 118 112.789 -18.294 3.309 1.00 0.00 H new ATOM 0 HA GLU A 118 112.800 -17.631 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.101 -16.154 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 118 111.770 -15.291 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 118 109.984 -17.773 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 118 109.477 -16.131 0.623 1.00 0.00 H new ATOM 1831 N LYS A 119 114.757 -16.125 0.971 1.00 0.00 N ATOM 1832 CA LYS A 119 115.992 -15.366 1.338 1.00 0.00 C ATOM 1833 C LYS A 119 115.590 -14.090 2.089 1.00 0.00 C ATOM 1834 O LYS A 119 114.694 -13.378 1.682 1.00 0.00 O ATOM 1835 CB LYS A 119 116.755 -14.987 0.064 1.00 0.00 C ATOM 1836 CG LYS A 119 117.307 -16.251 -0.604 1.00 0.00 C ATOM 1837 CD LYS A 119 118.068 -15.867 -1.876 1.00 0.00 C ATOM 1838 CE LYS A 119 118.686 -17.118 -2.504 1.00 0.00 C ATOM 1839 NZ LYS A 119 117.631 -17.885 -3.226 1.00 0.00 N ATOM 0 H LYS A 119 114.651 -16.325 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 119 116.629 -15.983 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.094 -14.460 -0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.571 -14.306 0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 119 117.969 -16.779 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.492 -16.932 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.393 -15.388 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.848 -15.143 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 119 119.482 -16.836 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 119 119.138 -17.740 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 118.060 -18.708 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 116.912 -18.209 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 117.184 -17.274 -3.939 1.00 0.00 H new ATOM 1853 N LYS A 120 116.236 -13.801 3.187 1.00 0.00 N ATOM 1854 CA LYS A 120 115.873 -12.580 3.968 1.00 0.00 C ATOM 1855 C LYS A 120 116.604 -11.352 3.411 1.00 0.00 C ATOM 1856 O LYS A 120 117.741 -11.427 2.989 1.00 0.00 O ATOM 1857 CB LYS A 120 116.251 -12.782 5.441 1.00 0.00 C ATOM 1858 CG LYS A 120 117.721 -13.201 5.551 1.00 0.00 C ATOM 1859 CD LYS A 120 118.056 -13.505 7.015 1.00 0.00 C ATOM 1860 CE LYS A 120 119.526 -13.917 7.131 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.725 -15.241 6.472 1.00 0.00 N ATOM 0 H LYS A 120 116.998 -14.356 3.577 1.00 0.00 H new ATOM 0 HA LYS A 120 114.799 -12.415 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.084 -11.860 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 120 115.612 -13.544 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 120 117.907 -14.080 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.366 -12.406 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 120 117.864 -12.627 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.414 -14.303 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 120 120.163 -13.166 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 120 119.817 -13.973 8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 120.279 -15.860 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 118.800 -15.677 6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 120.235 -15.109 5.575 1.00 0.00 H new ATOM 1875 N LEU A 121 115.947 -10.218 3.408 1.00 0.00 N ATOM 1876 CA LEU A 121 116.586 -8.972 2.890 1.00 0.00 C ATOM 1877 C LEU A 121 116.829 -8.008 4.058 1.00 0.00 C ATOM 1878 O LEU A 121 115.918 -7.664 4.786 1.00 0.00 O ATOM 1879 CB LEU A 121 115.652 -8.312 1.869 1.00 0.00 C ATOM 1880 CG LEU A 121 115.381 -9.278 0.713 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.272 -8.713 -0.178 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.655 -9.455 -0.115 1.00 0.00 C ATOM 0 H LEU A 121 114.991 -10.103 3.744 1.00 0.00 H new ATOM 0 HA LEU A 121 117.535 -9.214 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.714 -8.032 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.103 -7.395 1.490 1.00 0.00 H new ATOM 0 HG LEU A 121 115.070 -10.242 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.080 -9.402 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.362 -8.587 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.583 -7.748 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.461 -10.143 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 121 116.966 -8.490 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.446 -9.859 0.517 1.00 0.00 H new ATOM 1894 N VAL A 122 118.045 -7.574 4.252 1.00 0.00 N ATOM 1895 CA VAL A 122 118.330 -6.645 5.389 1.00 0.00 C ATOM 1896 C VAL A 122 118.644 -5.235 4.872 1.00 0.00 C ATOM 1897 O VAL A 122 119.458 -5.048 3.991 1.00 0.00 O ATOM 1898 CB VAL A 122 119.534 -7.162 6.183 1.00 0.00 C ATOM 1899 CG1 VAL A 122 119.774 -6.258 7.396 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.260 -8.589 6.661 1.00 0.00 C ATOM 0 H VAL A 122 118.851 -7.819 3.677 1.00 0.00 H new ATOM 0 HA VAL A 122 117.448 -6.601 6.028 1.00 0.00 H new ATOM 0 HB VAL A 122 120.416 -7.156 5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.631 -6.626 7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 122 119.972 -5.241 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 122 118.890 -6.263 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.118 -8.955 7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.376 -8.596 7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 122 119.090 -9.235 5.800 1.00 0.00 H new ATOM 1910 N PHE A 123 118.007 -4.242 5.437 1.00 0.00 N ATOM 1911 CA PHE A 123 118.260 -2.831 5.024 1.00 0.00 C ATOM 1912 C PHE A 123 118.996 -2.128 6.171 1.00 0.00 C ATOM 1913 O PHE A 123 118.505 -2.077 7.281 1.00 0.00 O ATOM 1914 CB PHE A 123 116.915 -2.145 4.758 1.00 0.00 C ATOM 1915 CG PHE A 123 117.084 -0.645 4.781 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.817 -0.009 3.772 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.497 0.110 5.803 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.966 1.384 3.788 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.646 1.501 5.820 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.380 2.139 4.812 1.00 0.00 C ATOM 0 H PHE A 123 117.313 -4.352 6.177 1.00 0.00 H new ATOM 0 HA PHE A 123 118.864 -2.788 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.522 -2.460 3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.188 -2.448 5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.267 -0.592 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 123 115.929 -0.381 6.579 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.533 1.876 3.011 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.195 2.083 6.610 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.494 3.213 4.824 1.00 0.00 H new ATOM 1930 N THR A 124 120.181 -1.612 5.943 1.00 0.00 N ATOM 1931 CA THR A 124 120.911 -0.961 7.069 1.00 0.00 C ATOM 1932 C THR A 124 121.572 0.354 6.641 1.00 0.00 C ATOM 1933 O THR A 124 122.088 0.486 5.547 1.00 0.00 O ATOM 1934 CB THR A 124 121.990 -1.918 7.581 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.450 -1.474 8.850 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.163 -1.951 6.596 1.00 0.00 C ATOM 0 H THR A 124 120.663 -1.614 5.044 1.00 0.00 H new ATOM 0 HA THR A 124 120.187 -0.733 7.852 1.00 0.00 H new ATOM 0 HB THR A 124 121.570 -2.920 7.673 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.140 -2.087 9.181 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.929 -2.634 6.965 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.811 -2.292 5.622 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.585 -0.951 6.499 1.00 0.00 H new ATOM 1944 N VAL A 125 121.585 1.314 7.530 1.00 0.00 N ATOM 1945 CA VAL A 125 122.230 2.629 7.241 1.00 0.00 C ATOM 1946 C VAL A 125 123.041 3.048 8.474 1.00 0.00 C ATOM 1947 O VAL A 125 122.817 2.559 9.566 1.00 0.00 O ATOM 1948 CB VAL A 125 121.156 3.680 6.938 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.101 3.083 6.007 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.488 4.127 8.242 1.00 0.00 C ATOM 0 H VAL A 125 121.169 1.240 8.458 1.00 0.00 H new ATOM 0 HA VAL A 125 122.885 2.545 6.374 1.00 0.00 H new ATOM 0 HB VAL A 125 121.622 4.539 6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.339 3.832 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.573 2.770 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.638 2.221 6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.725 4.874 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 125 120.025 3.267 8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.238 4.558 8.906 1.00 0.00 H new ATOM 1960 N GLU A 126 123.987 3.935 8.319 1.00 0.00 N ATOM 1961 CA GLU A 126 124.802 4.359 9.496 1.00 0.00 C ATOM 1962 C GLU A 126 124.941 5.884 9.519 1.00 0.00 C ATOM 1963 O GLU A 126 124.945 6.534 8.493 1.00 0.00 O ATOM 1964 CB GLU A 126 126.193 3.727 9.404 1.00 0.00 C ATOM 1965 CG GLU A 126 126.927 4.281 8.182 1.00 0.00 C ATOM 1966 CD GLU A 126 128.278 3.579 8.033 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.333 2.384 8.274 1.00 0.00 O ATOM 1968 OE2 GLU A 126 129.235 4.249 7.681 1.00 0.00 O ATOM 0 H GLU A 126 124.230 4.382 7.435 1.00 0.00 H new ATOM 0 HA GLU A 126 124.305 4.032 10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.761 3.940 10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.107 2.643 9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 126 126.326 4.130 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 126 127.074 5.356 8.290 1.00 0.00 H new ATOM 1975 N ALA A 127 125.066 6.456 10.687 1.00 0.00 N ATOM 1976 CA ALA A 127 125.213 7.937 10.785 1.00 0.00 C ATOM 1977 C ALA A 127 125.812 8.298 12.147 1.00 0.00 C ATOM 1978 O ALA A 127 126.654 9.180 12.187 1.00 0.00 O ATOM 1979 CB ALA A 127 123.841 8.598 10.641 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.418 7.686 13.127 1.00 0.00 O ATOM 0 H ALA A 127 125.073 5.960 11.579 1.00 0.00 H new ATOM 0 HA ALA A 127 125.871 8.291 9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.949 9.680 10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.412 8.340 9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.182 8.246 11.435 1.00 0.00 H new TER 1986 ALA A 127