USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 990 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 107 GLN : amide:sc= -1.45 K(o=-2.3,f=-8.1!) USER MOD Set 1.2: A 131 GLN : amide:sc= -0.85 K(o=-2.3,f=-3.1) USER MOD Set 2.1: A 92 SER OG : rot 69:sc= 2.31 USER MOD Set 2.2: A 114 LYS NZ :NH3+ -102:sc= 1.22 (180deg=0.959) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 1.1 (180deg=-0.639) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 168:sc= -4.12! (180deg=-5.01!) USER MOD Single : A 30 LYS NZ :NH3+ 147:sc= 1.27 (180deg=1.09) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.673 K(o=-0.67,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 42 ASN : amide:sc= -0.759 X(o=-0.76,f=-0.3) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0264 (180deg=-0.183) USER MOD Single : A 51 TYR OH : rot 73:sc=-0.00887 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0975 K(o=-0.097,f=-1.6) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0546 USER MOD Single : A 69 ASN : amide:sc= -0.572 K(o=-0.57,f=-6.6!) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0.00677 (180deg=-0.1) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= 1.27 (180deg=0.891) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= -0.337 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -27:sc= 0.301 USER MOD Single : A 103 LYS NZ :NH3+ -167:sc= -0.0132 (180deg=-0.238) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.4!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.454 K(o=-0.45,f=-6.1!) USER MOD Single : A 120 ASN : amide:sc= -0.213 K(o=-0.21,f=-7.7!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 164:sc= -0.068 (180deg=-0.361) USER MOD Single : A 128 THR OG1 : rot -159:sc= 0.613 USER MOD Single : A 133 GLN : amide:sc= -0.0582 K(o=-0.058,f=-1.3!) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -21.676 2.734 -1.715 1.00 0.00 N ATOM 2 CA GLY A 15 -20.932 1.461 -1.562 1.00 0.00 C ATOM 3 C GLY A 15 -20.147 1.400 -0.266 1.00 0.00 C ATOM 4 O GLY A 15 -18.922 1.272 -0.282 1.00 0.00 O ATOM 0 HA2 GLY A 15 -21.633 0.627 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.249 1.340 -2.403 1.00 0.00 H new ATOM 10 N SER A 16 -20.845 1.500 0.858 1.00 0.00 N ATOM 11 CA SER A 16 -20.213 1.387 2.162 1.00 0.00 C ATOM 12 C SER A 16 -19.923 -0.075 2.480 1.00 0.00 C ATOM 13 O SER A 16 -20.790 -0.803 2.964 1.00 0.00 O ATOM 14 CB SER A 16 -21.120 1.987 3.237 1.00 0.00 C ATOM 15 OG SER A 16 -21.510 3.304 2.893 1.00 0.00 O ATOM 0 H SER A 16 -21.852 1.660 0.890 1.00 0.00 H new ATOM 0 HA SER A 16 -19.272 1.937 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.005 1.363 3.362 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.599 1.996 4.194 1.00 0.00 H new ATOM 0 HG SER A 16 -22.091 3.667 3.594 1.00 0.00 H new ATOM 21 N SER A 17 -18.706 -0.504 2.193 1.00 0.00 N ATOM 22 CA SER A 17 -18.313 -1.881 2.421 1.00 0.00 C ATOM 23 C SER A 17 -17.652 -2.026 3.790 1.00 0.00 C ATOM 24 O SER A 17 -17.715 -1.106 4.611 1.00 0.00 O ATOM 25 CB SER A 17 -17.366 -2.336 1.312 1.00 0.00 C ATOM 26 OG SER A 17 -17.922 -2.064 0.036 1.00 0.00 O ATOM 0 H SER A 17 -17.972 0.085 1.800 1.00 0.00 H new ATOM 0 HA SER A 17 -19.201 -2.513 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.408 -1.826 1.413 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.171 -3.404 1.409 1.00 0.00 H new ATOM 0 HG SER A 17 -17.301 -2.361 -0.661 1.00 0.00 H new ATOM 32 N GLY A 18 -17.035 -3.179 4.033 1.00 0.00 N ATOM 33 CA GLY A 18 -16.353 -3.418 5.292 1.00 0.00 C ATOM 34 C GLY A 18 -15.369 -2.320 5.644 1.00 0.00 C ATOM 35 O GLY A 18 -14.664 -1.796 4.775 1.00 0.00 O ATOM 0 H GLY A 18 -16.996 -3.957 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.091 -3.507 6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.825 -4.370 5.239 1.00 0.00 H new ATOM 39 N ASN A 19 -15.332 -1.963 6.917 1.00 0.00 N ATOM 40 CA ASN A 19 -14.453 -0.905 7.394 1.00 0.00 C ATOM 41 C ASN A 19 -13.010 -1.372 7.394 1.00 0.00 C ATOM 42 O ASN A 19 -12.715 -2.531 7.693 1.00 0.00 O ATOM 43 CB ASN A 19 -14.846 -0.460 8.805 1.00 0.00 C ATOM 44 CG ASN A 19 -16.281 0.028 8.896 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.571 1.195 8.637 1.00 0.00 O ATOM 46 ND2 ASN A 19 -17.183 -0.856 9.295 1.00 0.00 N ATOM 0 H ASN A 19 -15.904 -2.393 7.644 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.557 -0.057 6.717 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.707 -1.293 9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.176 0.337 9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.159 -0.578 9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.902 -1.815 9.500 1.00 0.00 H new ATOM 53 N PRO A 20 -12.098 -0.452 7.044 1.00 0.00 N ATOM 54 CA PRO A 20 -10.647 -0.691 7.025 1.00 0.00 C ATOM 55 C PRO A 20 -10.142 -1.249 8.347 1.00 0.00 C ATOM 56 O PRO A 20 -9.238 -2.077 8.380 1.00 0.00 O ATOM 57 CB PRO A 20 -10.056 0.707 6.791 1.00 0.00 C ATOM 58 CG PRO A 20 -11.182 1.651 7.041 1.00 0.00 C ATOM 59 CD PRO A 20 -12.415 0.920 6.639 1.00 0.00 C ATOM 0 HA PRO A 20 -10.367 -1.424 6.268 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.222 0.901 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.674 0.809 5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.224 1.942 8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.062 2.566 6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.300 1.302 7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.604 0.996 5.568 1.00 0.00 H new ATOM 67 N GLU A 21 -10.731 -0.761 9.430 1.00 0.00 N ATOM 68 CA GLU A 21 -10.431 -1.240 10.779 1.00 0.00 C ATOM 69 C GLU A 21 -10.598 -2.757 10.894 1.00 0.00 C ATOM 70 O GLU A 21 -9.822 -3.425 11.578 1.00 0.00 O ATOM 71 CB GLU A 21 -11.351 -0.550 11.784 1.00 0.00 C ATOM 72 CG GLU A 21 -11.210 -1.068 13.204 1.00 0.00 C ATOM 73 CD GLU A 21 -12.270 -0.513 14.125 1.00 0.00 C ATOM 74 OE1 GLU A 21 -12.046 0.561 14.719 1.00 0.00 O ATOM 75 OE2 GLU A 21 -13.340 -1.144 14.253 1.00 0.00 O ATOM 0 H GLU A 21 -11.432 -0.021 9.402 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.390 -0.999 10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.144 0.520 11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.385 -0.677 11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.270 -2.156 13.199 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.224 -0.805 13.588 1.00 0.00 H new ATOM 82 N ASP A 22 -11.604 -3.294 10.213 1.00 0.00 N ATOM 83 CA ASP A 22 -11.935 -4.711 10.323 1.00 0.00 C ATOM 84 C ASP A 22 -10.995 -5.567 9.482 1.00 0.00 C ATOM 85 O ASP A 22 -11.060 -6.799 9.517 1.00 0.00 O ATOM 86 CB ASP A 22 -13.386 -4.959 9.903 1.00 0.00 C ATOM 87 CG ASP A 22 -14.386 -4.298 10.829 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.675 -4.864 11.903 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.899 -3.214 10.481 1.00 0.00 O ATOM 0 H ASP A 22 -12.206 -2.769 9.578 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.814 -4.998 11.368 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.535 -4.587 8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.574 -6.032 9.879 1.00 0.00 H new ATOM 94 N PHE A 23 -10.125 -4.915 8.726 1.00 0.00 N ATOM 95 CA PHE A 23 -9.125 -5.612 7.935 1.00 0.00 C ATOM 96 C PHE A 23 -7.968 -6.045 8.822 1.00 0.00 C ATOM 97 O PHE A 23 -7.626 -5.373 9.795 1.00 0.00 O ATOM 98 CB PHE A 23 -8.593 -4.715 6.813 1.00 0.00 C ATOM 99 CG PHE A 23 -9.503 -4.596 5.624 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.677 -3.867 5.696 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.173 -5.209 4.426 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.508 -3.754 4.597 1.00 0.00 C ATOM 103 CE2 PHE A 23 -9.999 -5.100 3.324 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.167 -4.370 3.410 1.00 0.00 C ATOM 0 H PHE A 23 -10.092 -3.899 8.644 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.597 -6.489 7.491 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.412 -3.719 7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.631 -5.104 6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.947 -3.381 6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.259 -5.779 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.423 -3.184 4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.731 -5.585 2.397 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.813 -4.281 2.549 1.00 0.00 H new ATOM 114 N LYS A 24 -7.358 -7.161 8.461 1.00 0.00 N ATOM 115 CA LYS A 24 -6.190 -7.663 9.164 1.00 0.00 C ATOM 116 C LYS A 24 -5.010 -6.757 8.865 1.00 0.00 C ATOM 117 O LYS A 24 -4.067 -6.648 9.651 1.00 0.00 O ATOM 118 CB LYS A 24 -5.862 -9.090 8.714 1.00 0.00 C ATOM 119 CG LYS A 24 -6.987 -10.087 8.926 1.00 0.00 C ATOM 120 CD LYS A 24 -6.702 -11.409 8.231 1.00 0.00 C ATOM 121 CE LYS A 24 -7.927 -12.308 8.201 1.00 0.00 C ATOM 122 NZ LYS A 24 -9.077 -11.658 7.519 1.00 0.00 N ATOM 0 H LYS A 24 -7.656 -7.742 7.677 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.396 -7.675 10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.602 -9.074 7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.980 -9.435 9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.125 -10.259 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.920 -9.670 8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.366 -11.218 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.888 -11.921 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.681 -13.239 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.210 -12.569 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.698 -12.387 7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.612 -11.090 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.726 -11.041 6.759 1.00 0.00 H new ATOM 136 N VAL A 25 -5.085 -6.100 7.714 1.00 0.00 N ATOM 137 CA VAL A 25 -4.032 -5.215 7.264 1.00 0.00 C ATOM 138 C VAL A 25 -4.019 -3.925 8.074 1.00 0.00 C ATOM 139 O VAL A 25 -3.026 -3.211 8.078 1.00 0.00 O ATOM 140 CB VAL A 25 -4.177 -4.871 5.759 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.806 -6.019 4.999 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.977 -3.595 5.542 1.00 0.00 C ATOM 0 H VAL A 25 -5.876 -6.169 7.073 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.091 -5.745 7.412 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.172 -4.703 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.896 -5.752 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.180 -6.906 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.795 -6.227 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.054 -3.391 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.976 -3.716 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.475 -2.762 6.035 1.00 0.00 H new ATOM 152 N PHE A 26 -5.119 -3.638 8.764 1.00 0.00 N ATOM 153 CA PHE A 26 -5.244 -2.394 9.512 1.00 0.00 C ATOM 154 C PHE A 26 -4.100 -2.255 10.511 1.00 0.00 C ATOM 155 O PHE A 26 -3.375 -1.267 10.502 1.00 0.00 O ATOM 156 CB PHE A 26 -6.592 -2.338 10.231 1.00 0.00 C ATOM 157 CG PHE A 26 -6.849 -1.032 10.927 1.00 0.00 C ATOM 158 CD1 PHE A 26 -7.067 0.124 10.197 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.879 -0.965 12.308 1.00 0.00 C ATOM 160 CE1 PHE A 26 -7.309 1.325 10.835 1.00 0.00 C ATOM 161 CE2 PHE A 26 -7.119 0.232 12.952 1.00 0.00 C ATOM 162 CZ PHE A 26 -7.335 1.379 12.214 1.00 0.00 C ATOM 0 H PHE A 26 -5.934 -4.249 8.820 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.191 -1.561 8.810 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.388 -2.517 9.508 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.638 -3.145 10.962 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.048 0.086 9.118 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.713 -1.860 12.889 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.478 2.221 10.256 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.138 0.271 14.031 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.524 2.317 12.715 1.00 0.00 H new ATOM 172 N LYS A 27 -3.925 -3.269 11.344 1.00 0.00 N ATOM 173 CA LYS A 27 -2.851 -3.283 12.319 1.00 0.00 C ATOM 174 C LYS A 27 -1.504 -3.461 11.627 1.00 0.00 C ATOM 175 O LYS A 27 -0.521 -2.811 11.983 1.00 0.00 O ATOM 176 CB LYS A 27 -3.110 -4.416 13.319 1.00 0.00 C ATOM 177 CG LYS A 27 -1.858 -5.097 13.847 1.00 0.00 C ATOM 178 CD LYS A 27 -1.552 -4.722 15.291 1.00 0.00 C ATOM 179 CE LYS A 27 -1.252 -3.240 15.443 1.00 0.00 C ATOM 180 NZ LYS A 27 -0.862 -2.894 16.835 1.00 0.00 N ATOM 0 H LYS A 27 -4.519 -4.098 11.362 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.822 -2.332 12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.672 -4.016 14.163 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.741 -5.166 12.842 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.979 -6.178 13.774 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.010 -4.828 13.218 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.401 -4.987 15.922 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.699 -5.302 15.643 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.449 -2.960 14.761 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.130 -2.661 15.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.666 -1.875 16.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.638 -3.137 17.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.009 -3.428 17.099 1.00 0.00 H new ATOM 194 N TYR A 28 -1.474 -4.323 10.623 1.00 0.00 N ATOM 195 CA TYR A 28 -0.234 -4.652 9.933 1.00 0.00 C ATOM 196 C TYR A 28 0.359 -3.456 9.195 1.00 0.00 C ATOM 197 O TYR A 28 1.556 -3.205 9.279 1.00 0.00 O ATOM 198 CB TYR A 28 -0.448 -5.812 8.967 1.00 0.00 C ATOM 199 CG TYR A 28 -0.202 -7.160 9.592 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.086 -7.556 9.913 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.246 -8.028 9.868 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.334 -8.781 10.489 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.011 -9.260 10.450 1.00 0.00 C ATOM 204 CZ TYR A 28 0.284 -9.632 10.758 1.00 0.00 C ATOM 205 OH TYR A 28 0.533 -10.856 11.342 1.00 0.00 O ATOM 0 H TYR A 28 -2.296 -4.810 10.266 1.00 0.00 H new ATOM 0 HA TYR A 28 0.483 -4.948 10.699 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.469 -5.776 8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.215 -5.690 8.111 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.911 -6.891 9.707 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.258 -7.738 9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.346 -9.074 10.729 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.834 -9.927 10.662 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.312 -11.337 11.467 1.00 0.00 H new ATOM 215 N MET A 29 -0.466 -2.715 8.475 1.00 0.00 N ATOM 216 CA MET A 29 0.025 -1.558 7.738 1.00 0.00 C ATOM 217 C MET A 29 0.284 -0.396 8.687 1.00 0.00 C ATOM 218 O MET A 29 1.085 0.491 8.393 1.00 0.00 O ATOM 219 CB MET A 29 -0.947 -1.158 6.625 1.00 0.00 C ATOM 220 CG MET A 29 -1.245 -2.304 5.669 1.00 0.00 C ATOM 221 SD MET A 29 -2.134 -1.784 4.193 1.00 0.00 S ATOM 222 CE MET A 29 -0.878 -0.792 3.398 1.00 0.00 C ATOM 0 H MET A 29 -1.467 -2.889 8.384 1.00 0.00 H new ATOM 0 HA MET A 29 0.969 -1.829 7.265 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.879 -0.809 7.070 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.528 -0.322 6.065 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.308 -2.775 5.373 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.831 -3.061 6.191 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.184 -0.569 2.376 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.747 0.139 3.949 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.064 -1.341 3.383 1.00 0.00 H new ATOM 232 N LYS A 30 -0.374 -0.419 9.839 1.00 0.00 N ATOM 233 CA LYS A 30 -0.127 0.578 10.871 1.00 0.00 C ATOM 234 C LYS A 30 1.232 0.358 11.527 1.00 0.00 C ATOM 235 O LYS A 30 1.924 1.320 11.865 1.00 0.00 O ATOM 236 CB LYS A 30 -1.243 0.566 11.922 1.00 0.00 C ATOM 237 CG LYS A 30 -2.456 1.412 11.545 1.00 0.00 C ATOM 238 CD LYS A 30 -2.087 2.861 11.258 1.00 0.00 C ATOM 239 CE LYS A 30 -1.503 3.533 12.483 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.137 4.950 12.226 1.00 0.00 N ATOM 0 H LYS A 30 -1.080 -1.114 10.081 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.119 1.558 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.566 -0.463 12.084 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.841 0.926 12.869 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.937 0.982 10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.184 1.379 12.355 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.367 2.900 10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.972 3.406 10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.225 3.488 13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.619 2.985 12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.281 5.508 13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.138 5.004 11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.735 5.331 11.465 1.00 0.00 H new ATOM 254 N ILE A 31 1.618 -0.902 11.704 1.00 0.00 N ATOM 255 CA ILE A 31 2.938 -1.205 12.241 1.00 0.00 C ATOM 256 C ILE A 31 3.980 -1.147 11.133 1.00 0.00 C ATOM 257 O ILE A 31 5.147 -0.912 11.399 1.00 0.00 O ATOM 258 CB ILE A 31 3.004 -2.574 12.955 1.00 0.00 C ATOM 259 CG1 ILE A 31 2.872 -3.726 11.956 1.00 0.00 C ATOM 260 CG2 ILE A 31 1.925 -2.655 14.021 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.858 -5.097 12.596 1.00 0.00 C ATOM 0 H ILE A 31 1.045 -1.717 11.487 1.00 0.00 H new ATOM 0 HA ILE A 31 3.150 -0.446 12.994 1.00 0.00 H new ATOM 0 HB ILE A 31 3.979 -2.667 13.434 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.954 -3.594 11.384 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.699 -3.675 11.247 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.978 -3.623 14.520 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.076 -1.861 14.753 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.946 -2.539 13.557 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.762 -5.859 11.822 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.787 -5.252 13.144 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.015 -5.169 13.283 1.00 0.00 H new ATOM 273 N LEU A 32 3.545 -1.364 9.893 1.00 0.00 N ATOM 274 CA LEU A 32 4.397 -1.162 8.721 1.00 0.00 C ATOM 275 C LEU A 32 4.910 0.272 8.736 1.00 0.00 C ATOM 276 O LEU A 32 6.116 0.520 8.660 1.00 0.00 O ATOM 277 CB LEU A 32 3.580 -1.431 7.445 1.00 0.00 C ATOM 278 CG LEU A 32 4.360 -1.579 6.128 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.429 -2.093 5.041 1.00 0.00 C ATOM 280 CD2 LEU A 32 4.984 -0.260 5.683 1.00 0.00 C ATOM 0 H LEU A 32 2.601 -1.682 9.673 1.00 0.00 H new ATOM 0 HA LEU A 32 5.244 -1.848 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.003 -2.343 7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.865 -0.617 7.324 1.00 0.00 H new ATOM 0 HG LEU A 32 5.169 -2.289 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.982 -2.198 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.027 -3.062 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.610 -1.388 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.525 -0.410 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.199 0.481 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.674 0.093 6.449 1.00 0.00 H new ATOM 292 N GLU A 33 3.957 1.192 8.847 1.00 0.00 N ATOM 293 CA GLU A 33 4.212 2.618 8.967 1.00 0.00 C ATOM 294 C GLU A 33 5.345 2.908 9.943 1.00 0.00 C ATOM 295 O GLU A 33 6.270 3.669 9.649 1.00 0.00 O ATOM 296 CB GLU A 33 2.938 3.263 9.477 1.00 0.00 C ATOM 297 CG GLU A 33 2.780 4.706 9.084 1.00 0.00 C ATOM 298 CD GLU A 33 1.468 5.288 9.562 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.147 5.152 10.766 1.00 0.00 O ATOM 300 OE2 GLU A 33 0.739 5.865 8.737 1.00 0.00 O ATOM 0 H GLU A 33 2.964 0.958 8.856 1.00 0.00 H new ATOM 0 HA GLU A 33 4.507 3.015 7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.083 2.700 9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.916 3.189 10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.605 5.286 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.841 4.794 7.999 1.00 0.00 H new ATOM 307 N GLU A 34 5.255 2.300 11.110 1.00 0.00 N ATOM 308 CA GLU A 34 6.254 2.485 12.143 1.00 0.00 C ATOM 309 C GLU A 34 7.535 1.721 11.826 1.00 0.00 C ATOM 310 O GLU A 34 8.601 2.313 11.740 1.00 0.00 O ATOM 311 CB GLU A 34 5.696 2.045 13.497 1.00 0.00 C ATOM 312 CG GLU A 34 6.764 1.842 14.557 1.00 0.00 C ATOM 313 CD GLU A 34 6.183 1.656 15.939 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.500 0.636 16.169 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.406 2.532 16.800 1.00 0.00 O ATOM 0 H GLU A 34 4.495 1.670 11.367 1.00 0.00 H new ATOM 0 HA GLU A 34 6.502 3.546 12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.985 2.793 13.848 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.143 1.115 13.368 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.365 0.970 14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.434 2.701 14.561 1.00 0.00 H new ATOM 322 N ALA A 35 7.403 0.419 11.611 1.00 0.00 N ATOM 323 CA ALA A 35 8.539 -0.497 11.533 1.00 0.00 C ATOM 324 C ALA A 35 9.556 -0.086 10.473 1.00 0.00 C ATOM 325 O ALA A 35 10.763 -0.245 10.672 1.00 0.00 O ATOM 326 CB ALA A 35 8.045 -1.911 11.277 1.00 0.00 C ATOM 0 H ALA A 35 6.499 -0.037 11.485 1.00 0.00 H new ATOM 0 HA ALA A 35 9.055 -0.456 12.492 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.896 -2.589 11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.389 -2.220 12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.495 -1.939 10.337 1.00 0.00 H new ATOM 332 N MET A 36 9.075 0.448 9.359 1.00 0.00 N ATOM 333 CA MET A 36 9.949 0.880 8.276 1.00 0.00 C ATOM 334 C MET A 36 10.901 1.984 8.732 1.00 0.00 C ATOM 335 O MET A 36 12.093 1.955 8.420 1.00 0.00 O ATOM 336 CB MET A 36 9.106 1.346 7.091 1.00 0.00 C ATOM 337 CG MET A 36 8.363 0.209 6.418 1.00 0.00 C ATOM 338 SD MET A 36 9.467 -0.927 5.557 1.00 0.00 S ATOM 339 CE MET A 36 8.303 -2.153 4.965 1.00 0.00 C ATOM 0 H MET A 36 8.081 0.593 9.181 1.00 0.00 H new ATOM 0 HA MET A 36 10.561 0.032 7.968 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.388 2.092 7.432 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.751 1.835 6.361 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.793 -0.341 7.167 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.644 0.619 5.709 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.838 -2.925 4.411 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.789 -2.605 5.813 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.574 -1.676 4.310 1.00 0.00 H new ATOM 349 N GLU A 37 10.380 2.954 9.474 1.00 0.00 N ATOM 350 CA GLU A 37 11.206 4.047 9.976 1.00 0.00 C ATOM 351 C GLU A 37 11.757 3.712 11.365 1.00 0.00 C ATOM 352 O GLU A 37 12.701 4.341 11.848 1.00 0.00 O ATOM 353 CB GLU A 37 10.405 5.350 10.015 1.00 0.00 C ATOM 354 CG GLU A 37 11.258 6.582 10.276 1.00 0.00 C ATOM 355 CD GLU A 37 10.447 7.862 10.271 1.00 0.00 C ATOM 356 OE1 GLU A 37 9.912 8.237 11.335 1.00 0.00 O ATOM 357 OE2 GLU A 37 10.328 8.500 9.204 1.00 0.00 O ATOM 0 H GLU A 37 9.397 3.007 9.740 1.00 0.00 H new ATOM 0 HA GLU A 37 12.048 4.181 9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.883 5.474 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.643 5.275 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.758 6.476 11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.038 6.647 9.517 1.00 0.00 H new ATOM 364 N ASN A 38 11.145 2.723 12.003 1.00 0.00 N ATOM 365 CA ASN A 38 11.579 2.250 13.315 1.00 0.00 C ATOM 366 C ASN A 38 12.950 1.608 13.202 1.00 0.00 C ATOM 367 O ASN A 38 13.783 1.729 14.103 1.00 0.00 O ATOM 368 CB ASN A 38 10.578 1.232 13.870 1.00 0.00 C ATOM 369 CG ASN A 38 10.899 0.779 15.282 1.00 0.00 C ATOM 370 OD1 ASN A 38 10.694 -0.384 15.630 1.00 0.00 O ATOM 371 ND2 ASN A 38 11.365 1.692 16.116 1.00 0.00 N ATOM 0 H ASN A 38 10.336 2.226 11.629 1.00 0.00 H new ATOM 0 HA ASN A 38 11.632 3.100 13.995 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.580 1.670 13.855 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.554 0.362 13.214 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.567 1.443 17.084 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.522 2.646 15.792 1.00 0.00 H new ATOM 378 N ASP A 39 13.169 0.924 12.084 1.00 0.00 N ATOM 379 CA ASP A 39 14.464 0.338 11.779 1.00 0.00 C ATOM 380 C ASP A 39 15.525 1.428 11.792 1.00 0.00 C ATOM 381 O ASP A 39 15.386 2.449 11.118 1.00 0.00 O ATOM 382 CB ASP A 39 14.429 -0.342 10.405 1.00 0.00 C ATOM 383 CG ASP A 39 15.711 -1.090 10.086 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.762 -0.441 9.908 1.00 0.00 O ATOM 385 OD2 ASP A 39 15.675 -2.334 10.006 1.00 0.00 O ATOM 0 H ASP A 39 12.458 0.762 11.370 1.00 0.00 H new ATOM 0 HA ASP A 39 14.704 -0.413 12.532 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.590 -1.037 10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.252 0.411 9.637 1.00 0.00 H new ATOM 390 N THR A 40 16.566 1.206 12.581 1.00 0.00 N ATOM 391 CA THR A 40 17.627 2.169 12.785 1.00 0.00 C ATOM 392 C THR A 40 18.269 2.634 11.476 1.00 0.00 C ATOM 393 O THR A 40 18.798 3.742 11.395 1.00 0.00 O ATOM 394 CB THR A 40 18.697 1.543 13.680 1.00 0.00 C ATOM 395 OG1 THR A 40 18.086 0.567 14.540 1.00 0.00 O ATOM 396 CG2 THR A 40 19.356 2.605 14.524 1.00 0.00 C ATOM 0 H THR A 40 16.695 0.339 13.102 1.00 0.00 H new ATOM 0 HA THR A 40 17.186 3.049 13.254 1.00 0.00 H new ATOM 0 HB THR A 40 19.451 1.067 13.053 1.00 0.00 H new ATOM 0 HG1 THR A 40 18.770 0.163 15.114 1.00 0.00 H new ATOM 0 HG21 THR A 40 20.116 2.147 15.157 1.00 0.00 H new ATOM 0 HG22 THR A 40 19.822 3.347 13.876 1.00 0.00 H new ATOM 0 HG23 THR A 40 18.606 3.090 15.150 1.00 0.00 H new ATOM 404 N GLU A 41 18.211 1.792 10.452 1.00 0.00 N ATOM 405 CA GLU A 41 18.803 2.112 9.164 1.00 0.00 C ATOM 406 C GLU A 41 17.794 2.776 8.236 1.00 0.00 C ATOM 407 O GLU A 41 18.190 3.411 7.257 1.00 0.00 O ATOM 408 CB GLU A 41 19.352 0.858 8.524 1.00 0.00 C ATOM 409 CG GLU A 41 20.609 0.364 9.203 1.00 0.00 C ATOM 410 CD GLU A 41 21.708 1.404 9.238 1.00 0.00 C ATOM 411 OE1 GLU A 41 22.451 1.523 8.241 1.00 0.00 O ATOM 412 OE2 GLU A 41 21.840 2.106 10.261 1.00 0.00 O ATOM 0 H GLU A 41 17.758 0.879 10.491 1.00 0.00 H new ATOM 0 HA GLU A 41 19.616 2.818 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 41 18.594 0.076 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 41 19.564 1.053 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.370 0.061 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.972 -0.523 8.684 1.00 0.00 H new ATOM 419 N ASN A 42 16.503 2.651 8.577 1.00 0.00 N ATOM 420 CA ASN A 42 15.394 3.182 7.773 1.00 0.00 C ATOM 421 C ASN A 42 15.693 3.067 6.280 1.00 0.00 C ATOM 422 O ASN A 42 15.889 4.062 5.575 1.00 0.00 O ATOM 423 CB ASN A 42 15.013 4.626 8.187 1.00 0.00 C ATOM 424 CG ASN A 42 16.146 5.639 8.083 1.00 0.00 C ATOM 425 OD1 ASN A 42 16.956 5.780 9.000 1.00 0.00 O ATOM 426 ND2 ASN A 42 16.188 6.374 6.983 1.00 0.00 N ATOM 0 H ASN A 42 16.198 2.175 9.426 1.00 0.00 H new ATOM 0 HA ASN A 42 14.518 2.567 7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.185 4.962 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.651 4.611 9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.909 7.087 6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.499 6.227 6.245 1.00 0.00 H new ATOM 433 N LEU A 43 15.708 1.821 5.807 1.00 0.00 N ATOM 434 CA LEU A 43 16.087 1.495 4.430 1.00 0.00 C ATOM 435 C LEU A 43 15.097 2.072 3.419 1.00 0.00 C ATOM 436 O LEU A 43 15.273 1.922 2.211 1.00 0.00 O ATOM 437 CB LEU A 43 16.160 -0.025 4.258 1.00 0.00 C ATOM 438 CG LEU A 43 17.080 -0.754 5.240 1.00 0.00 C ATOM 439 CD1 LEU A 43 16.972 -2.260 5.052 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.521 -0.301 5.063 1.00 0.00 C ATOM 0 H LEU A 43 15.457 1.007 6.368 1.00 0.00 H new ATOM 0 HA LEU A 43 17.063 1.941 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.154 -0.433 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.494 -0.243 3.244 1.00 0.00 H new ATOM 0 HG LEU A 43 16.764 -0.506 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.633 -2.763 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.944 -2.576 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.262 -2.521 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.159 -0.831 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.848 -0.518 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.590 0.771 5.245 1.00 0.00 H new ATOM 452 N ILE A 44 14.072 2.744 3.926 1.00 0.00 N ATOM 453 CA ILE A 44 13.021 3.304 3.090 1.00 0.00 C ATOM 454 C ILE A 44 13.580 4.350 2.119 1.00 0.00 C ATOM 455 O ILE A 44 13.031 4.570 1.041 1.00 0.00 O ATOM 456 CB ILE A 44 11.910 3.949 3.951 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.601 3.987 3.173 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.300 5.356 4.397 1.00 0.00 C ATOM 459 CD1 ILE A 44 9.875 2.661 3.135 1.00 0.00 C ATOM 0 H ILE A 44 13.947 2.915 4.924 1.00 0.00 H new ATOM 0 HA ILE A 44 12.596 2.480 2.516 1.00 0.00 H new ATOM 0 HB ILE A 44 11.778 3.339 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.946 4.736 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.805 4.308 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.498 5.782 5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.214 5.310 4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.467 5.982 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.953 2.767 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.510 1.912 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.638 2.347 4.151 1.00 0.00 H new ATOM 471 N GLU A 45 14.689 4.979 2.499 1.00 0.00 N ATOM 472 CA GLU A 45 15.271 6.039 1.691 1.00 0.00 C ATOM 473 C GLU A 45 16.009 5.467 0.487 1.00 0.00 C ATOM 474 O GLU A 45 16.199 6.148 -0.519 1.00 0.00 O ATOM 475 CB GLU A 45 16.217 6.900 2.525 1.00 0.00 C ATOM 476 CG GLU A 45 15.533 7.613 3.679 1.00 0.00 C ATOM 477 CD GLU A 45 16.439 8.619 4.357 1.00 0.00 C ATOM 478 OE1 GLU A 45 17.303 8.207 5.157 1.00 0.00 O ATOM 479 OE2 GLU A 45 16.293 9.828 4.083 1.00 0.00 O ATOM 0 H GLU A 45 15.199 4.772 3.358 1.00 0.00 H new ATOM 0 HA GLU A 45 14.455 6.665 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.015 6.271 2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.686 7.641 1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.642 8.121 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.201 6.877 4.411 1.00 0.00 H new ATOM 486 N LYS A 46 16.407 4.207 0.592 1.00 0.00 N ATOM 487 CA LYS A 46 17.117 3.535 -0.487 1.00 0.00 C ATOM 488 C LYS A 46 16.156 3.140 -1.597 1.00 0.00 C ATOM 489 O LYS A 46 16.567 2.899 -2.729 1.00 0.00 O ATOM 490 CB LYS A 46 17.832 2.298 0.043 1.00 0.00 C ATOM 491 CG LYS A 46 18.983 2.628 0.967 1.00 0.00 C ATOM 492 CD LYS A 46 19.435 1.406 1.746 1.00 0.00 C ATOM 493 CE LYS A 46 20.604 1.730 2.658 1.00 0.00 C ATOM 494 NZ LYS A 46 21.812 2.131 1.894 1.00 0.00 N ATOM 0 H LYS A 46 16.250 3.628 1.417 1.00 0.00 H new ATOM 0 HA LYS A 46 17.855 4.227 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.116 1.671 0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.205 1.713 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.818 3.020 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.681 3.413 1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.604 1.023 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.722 0.616 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.321 2.534 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.836 0.860 3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.638 2.130 2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.970 1.459 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.675 3.086 1.505 1.00 0.00 H new ATOM 508 N VAL A 47 14.878 3.091 -1.259 1.00 0.00 N ATOM 509 CA VAL A 47 13.848 2.656 -2.187 1.00 0.00 C ATOM 510 C VAL A 47 12.700 3.673 -2.214 1.00 0.00 C ATOM 511 O VAL A 47 11.531 3.324 -2.392 1.00 0.00 O ATOM 512 CB VAL A 47 13.349 1.236 -1.813 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.736 1.218 -0.420 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.380 0.685 -2.857 1.00 0.00 C ATOM 0 H VAL A 47 14.527 3.351 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 47 14.269 2.602 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 47 14.217 0.577 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.395 0.210 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.483 1.527 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.890 1.904 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.053 -0.311 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.515 1.343 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.880 0.629 -3.824 1.00 0.00 H new ATOM 524 N ARG A 48 13.052 4.946 -2.016 1.00 0.00 N ATOM 525 CA ARG A 48 12.067 6.026 -1.993 1.00 0.00 C ATOM 526 C ARG A 48 11.095 5.934 -3.156 1.00 0.00 C ATOM 527 O ARG A 48 11.481 5.992 -4.328 1.00 0.00 O ATOM 528 CB ARG A 48 12.739 7.394 -1.999 1.00 0.00 C ATOM 529 CG ARG A 48 13.330 7.778 -0.661 1.00 0.00 C ATOM 530 CD ARG A 48 13.719 9.248 -0.640 1.00 0.00 C ATOM 531 NE ARG A 48 14.334 9.649 0.628 1.00 0.00 N ATOM 532 CZ ARG A 48 14.112 10.823 1.223 1.00 0.00 C ATOM 533 NH1 ARG A 48 13.264 11.696 0.686 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.727 11.124 2.360 1.00 0.00 N ATOM 0 H ARG A 48 14.014 5.252 -1.869 1.00 0.00 H new ATOM 0 HA ARG A 48 11.507 5.910 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.528 7.400 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.010 8.148 -2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.608 7.578 0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.206 7.163 -0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.413 9.448 -1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.833 9.857 -0.819 1.00 0.00 H new ATOM 0 HE ARG A 48 14.969 8.993 1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.781 11.469 -0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.097 12.592 1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.372 10.457 2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.554 12.022 2.811 1.00 0.00 H new ATOM 548 N GLY A 49 9.833 5.800 -2.806 1.00 0.00 N ATOM 549 CA GLY A 49 8.789 5.636 -3.788 1.00 0.00 C ATOM 550 C GLY A 49 7.437 5.507 -3.134 1.00 0.00 C ATOM 551 O GLY A 49 7.350 5.319 -1.925 1.00 0.00 O ATOM 0 H GLY A 49 9.506 5.802 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.787 6.489 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.990 4.750 -4.391 1.00 0.00 H new ATOM 555 N ILE A 50 6.382 5.623 -3.910 1.00 0.00 N ATOM 556 CA ILE A 50 5.045 5.507 -3.364 1.00 0.00 C ATOM 557 C ILE A 50 4.448 4.147 -3.681 1.00 0.00 C ATOM 558 O ILE A 50 4.354 3.747 -4.844 1.00 0.00 O ATOM 559 CB ILE A 50 4.138 6.631 -3.885 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.742 7.976 -3.482 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.720 6.480 -3.349 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.928 9.174 -3.895 1.00 0.00 C ATOM 0 H ILE A 50 6.421 5.796 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 50 5.116 5.605 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 50 4.075 6.575 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.868 7.994 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.737 8.059 -3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.098 7.289 -3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.310 5.523 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.736 6.521 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.430 10.085 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.823 9.186 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.941 9.119 -3.435 1.00 0.00 H new ATOM 574 N TYR A 51 4.061 3.439 -2.634 1.00 0.00 N ATOM 575 CA TYR A 51 3.526 2.096 -2.769 1.00 0.00 C ATOM 576 C TYR A 51 2.015 2.122 -2.611 1.00 0.00 C ATOM 577 O TYR A 51 1.501 2.516 -1.564 1.00 0.00 O ATOM 578 CB TYR A 51 4.128 1.164 -1.714 1.00 0.00 C ATOM 579 CG TYR A 51 5.626 1.298 -1.543 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.507 0.799 -2.494 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.157 1.918 -0.422 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.874 0.918 -2.330 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.518 2.041 -0.251 1.00 0.00 C ATOM 584 CZ TYR A 51 8.373 1.541 -1.206 1.00 0.00 C ATOM 585 OH TYR A 51 9.728 1.660 -1.031 1.00 0.00 O ATOM 0 H TYR A 51 4.108 3.776 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 51 3.786 1.723 -3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.646 1.360 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.896 0.133 -1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.118 0.311 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.491 2.312 0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.547 0.525 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.912 2.528 0.629 1.00 0.00 H new ATOM 0 HH TYR A 51 10.079 2.337 -1.647 1.00 0.00 H new ATOM 595 N GLY A 52 1.310 1.718 -3.647 1.00 0.00 N ATOM 596 CA GLY A 52 -0.131 1.648 -3.568 1.00 0.00 C ATOM 597 C GLY A 52 -0.594 0.251 -3.233 1.00 0.00 C ATOM 598 O GLY A 52 -0.430 -0.666 -4.031 1.00 0.00 O ATOM 0 H GLY A 52 1.707 1.436 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.490 2.344 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.565 1.959 -4.518 1.00 0.00 H new ATOM 602 N PHE A 53 -1.145 0.071 -2.049 1.00 0.00 N ATOM 603 CA PHE A 53 -1.609 -1.243 -1.632 1.00 0.00 C ATOM 604 C PHE A 53 -3.105 -1.399 -1.849 1.00 0.00 C ATOM 605 O PHE A 53 -3.917 -0.843 -1.106 1.00 0.00 O ATOM 606 CB PHE A 53 -1.257 -1.504 -0.169 1.00 0.00 C ATOM 607 CG PHE A 53 -0.010 -2.324 0.011 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.229 -1.818 -0.347 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.080 -3.603 0.539 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.376 -2.572 -0.178 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.063 -4.361 0.710 1.00 0.00 C ATOM 612 CZ PHE A 53 2.292 -3.845 0.351 1.00 0.00 C ATOM 0 H PHE A 53 -1.283 0.811 -1.361 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.099 -1.981 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.131 -0.549 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.091 -2.015 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.300 -0.824 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.039 -4.012 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.336 -2.166 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.995 -5.356 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.186 -4.436 0.484 1.00 0.00 H new ATOM 622 N LYS A 54 -3.457 -2.150 -2.881 1.00 0.00 N ATOM 623 CA LYS A 54 -4.845 -2.472 -3.158 1.00 0.00 C ATOM 624 C LYS A 54 -5.207 -3.792 -2.495 1.00 0.00 C ATOM 625 O LYS A 54 -4.910 -4.869 -3.018 1.00 0.00 O ATOM 626 CB LYS A 54 -5.092 -2.567 -4.665 1.00 0.00 C ATOM 627 CG LYS A 54 -5.045 -1.238 -5.395 1.00 0.00 C ATOM 628 CD LYS A 54 -5.370 -1.416 -6.868 1.00 0.00 C ATOM 629 CE LYS A 54 -5.377 -0.087 -7.604 1.00 0.00 C ATOM 630 NZ LYS A 54 -5.713 -0.253 -9.039 1.00 0.00 N ATOM 0 H LYS A 54 -2.793 -2.550 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.471 -1.676 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.348 -3.233 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.067 -3.025 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.755 -0.545 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.055 -0.795 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.638 -2.082 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.344 -1.895 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.099 0.583 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.399 0.384 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.708 0.676 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.010 -0.872 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.657 -0.679 -9.127 1.00 0.00 H new ATOM 644 N VAL A 55 -5.845 -3.701 -1.343 1.00 0.00 N ATOM 645 CA VAL A 55 -6.219 -4.881 -0.584 1.00 0.00 C ATOM 646 C VAL A 55 -7.702 -5.165 -0.776 1.00 0.00 C ATOM 647 O VAL A 55 -8.500 -4.242 -0.924 1.00 0.00 O ATOM 648 CB VAL A 55 -5.925 -4.698 0.922 1.00 0.00 C ATOM 649 CG1 VAL A 55 -5.989 -6.027 1.654 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.571 -4.036 1.135 1.00 0.00 C ATOM 0 H VAL A 55 -6.116 -2.818 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.626 -5.719 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.694 -4.044 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.778 -5.870 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.985 -6.456 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.250 -6.710 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.388 -3.918 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.789 -4.658 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.565 -3.057 0.656 1.00 0.00 H new ATOM 660 N ARG A 56 -8.075 -6.430 -0.798 1.00 0.00 N ATOM 661 CA ARG A 56 -9.475 -6.791 -0.953 1.00 0.00 C ATOM 662 C ARG A 56 -9.746 -8.157 -0.337 1.00 0.00 C ATOM 663 O ARG A 56 -8.857 -8.731 0.288 1.00 0.00 O ATOM 664 CB ARG A 56 -9.876 -6.741 -2.425 1.00 0.00 C ATOM 665 CG ARG A 56 -9.142 -7.712 -3.305 1.00 0.00 C ATOM 666 CD ARG A 56 -8.568 -7.007 -4.522 1.00 0.00 C ATOM 667 NE ARG A 56 -9.577 -6.209 -5.219 1.00 0.00 N ATOM 668 CZ ARG A 56 -9.343 -5.489 -6.317 1.00 0.00 C ATOM 669 NH1 ARG A 56 -8.154 -5.527 -6.907 1.00 0.00 N ATOM 670 NH2 ARG A 56 -10.308 -4.738 -6.828 1.00 0.00 N ATOM 0 H ARG A 56 -7.436 -7.220 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.090 -6.066 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.946 -6.936 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.708 -5.732 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.339 -8.186 -2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.819 -8.505 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.745 -6.362 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.153 -7.746 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.524 -6.203 -4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.411 -6.110 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.983 -4.973 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.225 -4.712 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.134 -4.186 -7.668 1.00 0.00 H new ATOM 684 N ASN A 57 -10.966 -8.667 -0.512 1.00 0.00 N ATOM 685 CA ASN A 57 -11.397 -9.913 0.136 1.00 0.00 C ATOM 686 C ASN A 57 -11.432 -9.735 1.648 1.00 0.00 C ATOM 687 O ASN A 57 -11.069 -10.639 2.404 1.00 0.00 O ATOM 688 CB ASN A 57 -10.485 -11.096 -0.227 1.00 0.00 C ATOM 689 CG ASN A 57 -10.635 -11.550 -1.668 1.00 0.00 C ATOM 690 OD1 ASN A 57 -10.966 -10.763 -2.558 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.387 -12.826 -1.913 1.00 0.00 N ATOM 0 H ASN A 57 -11.679 -8.236 -1.100 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.398 -10.140 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.447 -10.814 -0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.706 -11.933 0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.467 -13.188 -2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.115 -13.448 -1.152 1.00 0.00 H new ATOM 698 N GLY A 58 -11.863 -8.556 2.079 1.00 0.00 N ATOM 699 CA GLY A 58 -11.940 -8.260 3.495 1.00 0.00 C ATOM 700 C GLY A 58 -13.115 -8.940 4.176 1.00 0.00 C ATOM 701 O GLY A 58 -13.606 -9.957 3.684 1.00 0.00 O ATOM 0 H GLY A 58 -12.162 -7.796 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.015 -8.574 3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.021 -7.182 3.632 1.00 0.00 H new ATOM 705 N PRO A 59 -13.602 -8.364 5.298 1.00 0.00 N ATOM 706 CA PRO A 59 -14.657 -8.949 6.140 1.00 0.00 C ATOM 707 C PRO A 59 -15.740 -9.686 5.354 1.00 0.00 C ATOM 708 O PRO A 59 -15.953 -10.885 5.543 1.00 0.00 O ATOM 709 CB PRO A 59 -15.248 -7.726 6.827 1.00 0.00 C ATOM 710 CG PRO A 59 -14.113 -6.767 6.957 1.00 0.00 C ATOM 711 CD PRO A 59 -13.145 -7.070 5.840 1.00 0.00 C ATOM 0 HA PRO A 59 -14.256 -9.708 6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.060 -7.298 6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.661 -7.983 7.803 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.468 -5.739 6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.627 -6.874 7.927 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.162 -6.292 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.121 -7.133 6.208 1.00 0.00 H new ATOM 719 N ASN A 60 -16.418 -8.968 4.473 1.00 0.00 N ATOM 720 CA ASN A 60 -17.448 -9.564 3.634 1.00 0.00 C ATOM 721 C ASN A 60 -17.194 -9.214 2.176 1.00 0.00 C ATOM 722 O ASN A 60 -18.056 -8.654 1.493 1.00 0.00 O ATOM 723 CB ASN A 60 -18.842 -9.091 4.063 1.00 0.00 C ATOM 724 CG ASN A 60 -19.238 -9.607 5.435 1.00 0.00 C ATOM 725 OD1 ASN A 60 -19.817 -10.686 5.561 1.00 0.00 O ATOM 726 ND2 ASN A 60 -18.942 -8.837 6.472 1.00 0.00 N ATOM 0 H ASN A 60 -16.274 -7.970 4.319 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.408 -10.647 3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.866 -8.001 4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.576 -9.423 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -19.195 -9.132 7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -18.461 -7.949 6.327 1.00 0.00 H new ATOM 733 N GLY A 61 -15.992 -9.531 1.710 1.00 0.00 N ATOM 734 CA GLY A 61 -15.608 -9.189 0.355 1.00 0.00 C ATOM 735 C GLY A 61 -15.314 -7.711 0.217 1.00 0.00 C ATOM 736 O GLY A 61 -15.484 -7.125 -0.852 1.00 0.00 O ATOM 0 H GLY A 61 -15.276 -10.019 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.727 -9.764 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.407 -9.468 -0.332 1.00 0.00 H new ATOM 740 N ALA A 62 -14.877 -7.110 1.313 1.00 0.00 N ATOM 741 CA ALA A 62 -14.584 -5.686 1.346 1.00 0.00 C ATOM 742 C ALA A 62 -13.253 -5.388 0.703 1.00 0.00 C ATOM 743 O ALA A 62 -12.371 -6.246 0.625 1.00 0.00 O ATOM 744 CB ALA A 62 -14.599 -5.174 2.775 1.00 0.00 C ATOM 0 H ALA A 62 -14.717 -7.591 2.198 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.359 -5.173 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.378 -4.107 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.583 -5.343 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.847 -5.704 3.359 1.00 0.00 H new ATOM 750 N GLU A 63 -13.122 -4.164 0.251 1.00 0.00 N ATOM 751 CA GLU A 63 -11.931 -3.717 -0.419 1.00 0.00 C ATOM 752 C GLU A 63 -11.376 -2.483 0.263 1.00 0.00 C ATOM 753 O GLU A 63 -12.120 -1.674 0.822 1.00 0.00 O ATOM 754 CB GLU A 63 -12.253 -3.429 -1.875 1.00 0.00 C ATOM 755 CG GLU A 63 -12.474 -4.678 -2.703 1.00 0.00 C ATOM 756 CD GLU A 63 -13.097 -4.384 -4.048 1.00 0.00 C ATOM 757 OE1 GLU A 63 -14.253 -3.911 -4.076 1.00 0.00 O ATOM 758 OE2 GLU A 63 -12.440 -4.633 -5.083 1.00 0.00 O ATOM 0 H GLU A 63 -13.844 -3.449 0.340 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.172 -4.498 -0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.146 -2.807 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.438 -2.852 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.520 -5.184 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.116 -5.365 -2.152 1.00 0.00 H new ATOM 765 N GLY A 64 -10.068 -2.365 0.231 1.00 0.00 N ATOM 766 CA GLY A 64 -9.399 -1.236 0.835 1.00 0.00 C ATOM 767 C GLY A 64 -8.206 -0.802 0.017 1.00 0.00 C ATOM 768 O GLY A 64 -7.721 -1.554 -0.827 1.00 0.00 O ATOM 0 H GLY A 64 -9.444 -3.041 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.098 -0.405 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.076 -1.499 1.842 1.00 0.00 H new ATOM 772 N TYR A 65 -7.726 0.404 0.259 1.00 0.00 N ATOM 773 CA TYR A 65 -6.610 0.933 -0.502 1.00 0.00 C ATOM 774 C TYR A 65 -5.794 1.912 0.335 1.00 0.00 C ATOM 775 O TYR A 65 -6.280 2.980 0.709 1.00 0.00 O ATOM 776 CB TYR A 65 -7.128 1.610 -1.773 1.00 0.00 C ATOM 777 CG TYR A 65 -6.041 2.222 -2.617 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.944 1.473 -3.016 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.106 3.552 -3.005 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.943 2.030 -3.778 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.109 4.118 -3.769 1.00 0.00 C ATOM 782 CZ TYR A 65 -4.029 3.355 -4.152 1.00 0.00 C ATOM 783 OH TYR A 65 -3.036 3.916 -4.919 1.00 0.00 O ATOM 0 H TYR A 65 -8.090 1.034 0.974 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.954 0.108 -0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.670 0.877 -2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.842 2.386 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.874 0.436 -2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.951 4.153 -2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.095 1.434 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.174 5.154 -4.066 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.250 4.856 -5.095 1.00 0.00 H new ATOM 793 N TRP A 66 -4.549 1.547 0.615 1.00 0.00 N ATOM 794 CA TRP A 66 -3.668 2.387 1.417 1.00 0.00 C ATOM 795 C TRP A 66 -2.433 2.755 0.612 1.00 0.00 C ATOM 796 O TRP A 66 -1.852 1.919 -0.080 1.00 0.00 O ATOM 797 CB TRP A 66 -3.234 1.700 2.725 1.00 0.00 C ATOM 798 CG TRP A 66 -4.349 1.416 3.693 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.642 2.116 4.828 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.300 0.344 3.629 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.722 1.556 5.463 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.143 0.469 4.750 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.526 -0.702 2.732 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.191 -0.415 4.995 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.564 -1.577 2.979 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.386 -1.429 4.101 1.00 0.00 C ATOM 0 H TRP A 66 -4.126 0.674 0.298 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.231 3.282 1.682 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.739 0.761 2.478 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.494 2.329 3.220 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -4.102 2.984 5.176 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -6.143 1.896 6.328 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.900 -0.824 1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.827 -0.303 5.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.745 -2.391 2.293 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.191 -2.130 4.264 1.00 0.00 H new ATOM 817 N VAL A 67 -2.053 4.012 0.695 1.00 0.00 N ATOM 818 CA VAL A 67 -0.885 4.515 0.001 1.00 0.00 C ATOM 819 C VAL A 67 0.275 4.692 0.972 1.00 0.00 C ATOM 820 O VAL A 67 0.190 5.480 1.913 1.00 0.00 O ATOM 821 CB VAL A 67 -1.204 5.859 -0.689 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.058 6.625 -1.031 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.027 5.629 -1.942 1.00 0.00 C ATOM 0 H VAL A 67 -2.545 4.715 1.246 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.600 3.789 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.781 6.459 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.207 7.565 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.617 6.832 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.673 6.030 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.243 6.586 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.468 4.999 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.962 5.136 -1.678 1.00 0.00 H new ATOM 833 N ILE A 68 1.342 3.940 0.754 1.00 0.00 N ATOM 834 CA ILE A 68 2.545 4.080 1.557 1.00 0.00 C ATOM 835 C ILE A 68 3.494 5.045 0.864 1.00 0.00 C ATOM 836 O ILE A 68 4.169 4.692 -0.105 1.00 0.00 O ATOM 837 CB ILE A 68 3.275 2.735 1.803 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.353 1.709 2.473 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.516 2.952 2.660 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.413 1.010 1.516 1.00 0.00 C ATOM 0 H ILE A 68 1.399 3.226 0.027 1.00 0.00 H new ATOM 0 HA ILE A 68 2.238 4.458 2.532 1.00 0.00 H new ATOM 0 HB ILE A 68 3.573 2.341 0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.965 0.961 2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.765 2.211 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.017 1.998 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.195 3.636 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.225 3.378 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.795 0.301 2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.774 1.747 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.992 0.478 0.761 1.00 0.00 H new ATOM 852 N ASN A 69 3.518 6.271 1.347 1.00 0.00 N ATOM 853 CA ASN A 69 4.328 7.308 0.743 1.00 0.00 C ATOM 854 C ASN A 69 5.743 7.260 1.297 1.00 0.00 C ATOM 855 O ASN A 69 6.020 7.772 2.386 1.00 0.00 O ATOM 856 CB ASN A 69 3.712 8.683 1.001 1.00 0.00 C ATOM 857 CG ASN A 69 4.345 9.780 0.165 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.525 9.719 -0.193 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.560 10.792 -0.156 1.00 0.00 N ATOM 0 H ASN A 69 2.982 6.574 2.161 1.00 0.00 H new ATOM 0 HA ASN A 69 4.364 7.136 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.644 8.642 0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.818 8.931 2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.923 11.561 -0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.590 10.805 0.160 1.00 0.00 H new ATOM 866 N ALA A 70 6.629 6.634 0.547 1.00 0.00 N ATOM 867 CA ALA A 70 8.030 6.575 0.910 1.00 0.00 C ATOM 868 C ALA A 70 8.845 7.482 0.006 1.00 0.00 C ATOM 869 O ALA A 70 10.063 7.573 0.136 1.00 0.00 O ATOM 870 CB ALA A 70 8.535 5.151 0.822 1.00 0.00 C ATOM 0 H ALA A 70 6.400 6.156 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 70 8.140 6.919 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.589 5.121 1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.964 4.520 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.416 4.785 -0.198 1.00 0.00 H new ATOM 876 N LYS A 71 8.159 8.156 -0.912 1.00 0.00 N ATOM 877 CA LYS A 71 8.807 9.080 -1.830 1.00 0.00 C ATOM 878 C LYS A 71 9.422 10.234 -1.055 1.00 0.00 C ATOM 879 O LYS A 71 10.546 10.658 -1.321 1.00 0.00 O ATOM 880 CB LYS A 71 7.785 9.609 -2.837 1.00 0.00 C ATOM 881 CG LYS A 71 8.348 10.621 -3.821 1.00 0.00 C ATOM 882 CD LYS A 71 9.343 9.990 -4.784 1.00 0.00 C ATOM 883 CE LYS A 71 8.664 9.028 -5.745 1.00 0.00 C ATOM 884 NZ LYS A 71 7.793 9.732 -6.722 1.00 0.00 N ATOM 0 H LYS A 71 7.150 8.077 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 71 9.597 8.556 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.371 8.768 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.959 10.068 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.531 11.069 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.836 11.427 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.848 10.773 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.109 9.459 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.422 8.458 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.068 8.312 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.500 9.068 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.951 10.099 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.318 10.522 -7.149 1.00 0.00 H new ATOM 898 N GLU A 72 8.676 10.711 -0.073 1.00 0.00 N ATOM 899 CA GLU A 72 9.124 11.801 0.778 1.00 0.00 C ATOM 900 C GLU A 72 10.144 11.297 1.797 1.00 0.00 C ATOM 901 O GLU A 72 10.744 12.074 2.536 1.00 0.00 O ATOM 902 CB GLU A 72 7.921 12.418 1.483 1.00 0.00 C ATOM 903 CG GLU A 72 6.799 12.811 0.530 1.00 0.00 C ATOM 904 CD GLU A 72 7.225 13.842 -0.496 1.00 0.00 C ATOM 905 OE1 GLU A 72 7.159 15.049 -0.189 1.00 0.00 O ATOM 906 OE2 GLU A 72 7.617 13.453 -1.618 1.00 0.00 O ATOM 0 H GLU A 72 7.748 10.356 0.156 1.00 0.00 H new ATOM 0 HA GLU A 72 9.608 12.562 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.535 11.709 2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.245 13.300 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.440 11.921 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.962 13.205 1.106 1.00 0.00 H new ATOM 913 N GLY A 73 10.328 9.982 1.821 1.00 0.00 N ATOM 914 CA GLY A 73 11.313 9.372 2.691 1.00 0.00 C ATOM 915 C GLY A 73 10.741 8.970 4.030 1.00 0.00 C ATOM 916 O GLY A 73 11.477 8.570 4.928 1.00 0.00 O ATOM 0 H GLY A 73 9.805 9.322 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.730 8.493 2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.136 10.070 2.847 1.00 0.00 H new ATOM 920 N LYS A 74 9.429 9.059 4.162 1.00 0.00 N ATOM 921 CA LYS A 74 8.779 8.771 5.432 1.00 0.00 C ATOM 922 C LYS A 74 8.351 7.311 5.534 1.00 0.00 C ATOM 923 O LYS A 74 8.741 6.615 6.470 1.00 0.00 O ATOM 924 CB LYS A 74 7.579 9.700 5.642 1.00 0.00 C ATOM 925 CG LYS A 74 7.961 11.175 5.721 1.00 0.00 C ATOM 926 CD LYS A 74 8.995 11.438 6.811 1.00 0.00 C ATOM 927 CE LYS A 74 8.431 11.197 8.203 1.00 0.00 C ATOM 928 NZ LYS A 74 9.501 11.136 9.234 1.00 0.00 N ATOM 0 H LYS A 74 8.794 9.327 3.410 1.00 0.00 H new ATOM 0 HA LYS A 74 9.508 8.952 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.872 9.559 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.065 9.416 6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.358 11.499 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.069 11.771 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.859 10.793 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.347 12.467 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.731 11.994 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.867 10.264 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.109 11.410 10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.874 10.167 9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.269 11.788 8.976 1.00 0.00 H new ATOM 942 N GLY A 75 7.562 6.839 4.579 1.00 0.00 N ATOM 943 CA GLY A 75 7.060 5.483 4.664 1.00 0.00 C ATOM 944 C GLY A 75 5.735 5.416 5.396 1.00 0.00 C ATOM 945 O GLY A 75 5.456 4.451 6.104 1.00 0.00 O ATOM 0 H GLY A 75 7.263 7.363 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.941 5.076 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.790 4.857 5.177 1.00 0.00 H new ATOM 949 N LYS A 76 4.912 6.442 5.218 1.00 0.00 N ATOM 950 CA LYS A 76 3.642 6.531 5.929 1.00 0.00 C ATOM 951 C LYS A 76 2.516 6.009 5.056 1.00 0.00 C ATOM 952 O LYS A 76 2.523 6.212 3.841 1.00 0.00 O ATOM 953 CB LYS A 76 3.335 7.980 6.325 1.00 0.00 C ATOM 954 CG LYS A 76 3.135 8.913 5.134 1.00 0.00 C ATOM 955 CD LYS A 76 2.657 10.287 5.576 1.00 0.00 C ATOM 956 CE LYS A 76 2.541 11.254 4.404 1.00 0.00 C ATOM 957 NZ LYS A 76 1.395 10.930 3.511 1.00 0.00 N ATOM 0 H LYS A 76 5.100 7.223 4.589 1.00 0.00 H new ATOM 0 HA LYS A 76 3.722 5.925 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.437 7.996 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.151 8.360 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.072 9.012 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.409 8.478 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.688 10.194 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.350 10.692 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.426 12.269 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.465 11.233 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.359 11.616 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.516 9.972 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.509 10.976 4.053 1.00 0.00 H new ATOM 971 N VAL A 77 1.545 5.352 5.667 1.00 0.00 N ATOM 972 CA VAL A 77 0.440 4.793 4.916 1.00 0.00 C ATOM 973 C VAL A 77 -0.821 5.614 5.172 1.00 0.00 C ATOM 974 O VAL A 77 -1.139 5.971 6.310 1.00 0.00 O ATOM 975 CB VAL A 77 0.210 3.281 5.224 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.464 2.643 5.806 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.984 3.040 6.137 1.00 0.00 C ATOM 0 H VAL A 77 1.501 5.195 6.674 1.00 0.00 H new ATOM 0 HA VAL A 77 0.692 4.847 3.857 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.017 2.805 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.275 1.589 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.283 2.732 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.734 3.150 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.095 1.971 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.826 3.552 7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.887 3.424 5.663 1.00 0.00 H new ATOM 987 N THR A 78 -1.494 5.967 4.099 1.00 0.00 N ATOM 988 CA THR A 78 -2.699 6.767 4.173 1.00 0.00 C ATOM 989 C THR A 78 -3.719 6.245 3.173 1.00 0.00 C ATOM 990 O THR A 78 -3.375 5.928 2.035 1.00 0.00 O ATOM 991 CB THR A 78 -2.386 8.261 3.909 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.593 9.016 3.742 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.496 8.431 2.686 1.00 0.00 C ATOM 0 H THR A 78 -1.222 5.708 3.150 1.00 0.00 H new ATOM 0 HA THR A 78 -3.114 6.688 5.178 1.00 0.00 H new ATOM 0 HB THR A 78 -1.852 8.640 4.780 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.371 9.956 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.294 9.490 2.527 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.556 7.902 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.999 8.022 1.810 1.00 0.00 H new ATOM 1001 N TYR A 79 -4.963 6.127 3.611 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.014 5.570 2.777 1.00 0.00 C ATOM 1003 C TYR A 79 -6.231 6.455 1.557 1.00 0.00 C ATOM 1004 O TYR A 79 -6.379 7.673 1.687 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.316 5.419 3.569 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.298 4.460 2.932 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -9.172 4.881 1.937 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -8.342 3.128 3.322 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -10.057 3.999 1.347 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -9.227 2.241 2.738 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.082 2.682 1.752 1.00 0.00 C ATOM 1012 OH TYR A 79 -10.957 1.800 1.160 1.00 0.00 O ATOM 0 H TYR A 79 -5.269 6.411 4.542 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.706 4.579 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.082 5.073 4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.787 6.397 3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.159 5.913 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.673 2.779 4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.727 4.340 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.248 1.208 3.053 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.122 2.075 0.234 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.208 5.827 0.379 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.341 6.515 -0.914 1.00 0.00 C ATOM 1024 C ASN A 80 -5.071 7.294 -1.271 1.00 0.00 C ATOM 1025 O ASN A 80 -4.621 7.270 -2.416 1.00 0.00 O ATOM 1026 CB ASN A 80 -7.565 7.441 -0.938 1.00 0.00 C ATOM 1027 CG ASN A 80 -7.774 8.093 -2.293 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -7.224 9.157 -2.577 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -8.580 7.464 -3.135 1.00 0.00 N ATOM 0 H ASN A 80 -6.096 4.817 0.292 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.487 5.743 -1.670 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.454 6.869 -0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.446 8.215 -0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.764 7.860 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.017 6.584 -2.862 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.509 7.978 -0.281 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.253 8.692 -0.437 1.00 0.00 C ATOM 1038 C GLY A 81 -3.355 9.970 -1.244 1.00 0.00 C ATOM 1039 O GLY A 81 -2.756 10.982 -0.885 1.00 0.00 O ATOM 0 H GLY A 81 -4.914 8.052 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.860 8.931 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.531 8.031 -0.916 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.110 9.928 -2.329 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.202 11.069 -3.218 1.00 0.00 C ATOM 1045 C GLY A 82 -2.949 11.225 -4.061 1.00 0.00 C ATOM 1046 O GLY A 82 -2.801 12.198 -4.802 1.00 0.00 O ATOM 0 H GLY A 82 -4.664 9.120 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.068 10.954 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.362 11.975 -2.633 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.053 10.253 -3.945 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.776 10.279 -4.640 1.00 0.00 C ATOM 1052 C GLU A 83 -0.718 9.155 -5.661 1.00 0.00 C ATOM 1053 O GLU A 83 -1.254 8.072 -5.425 1.00 0.00 O ATOM 1054 CB GLU A 83 0.374 10.109 -3.644 1.00 0.00 C ATOM 1055 CG GLU A 83 0.411 11.164 -2.552 1.00 0.00 C ATOM 1056 CD GLU A 83 0.733 12.546 -3.083 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.930 12.886 -3.185 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.207 13.304 -3.397 1.00 0.00 O ATOM 0 H GLU A 83 -2.193 9.425 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.678 11.240 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.297 9.125 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.318 10.132 -4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.554 11.190 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.155 10.883 -1.807 1.00 0.00 H new ATOM 1065 N LYS A 84 -0.095 9.420 -6.798 1.00 0.00 N ATOM 1066 CA LYS A 84 0.126 8.400 -7.802 1.00 0.00 C ATOM 1067 C LYS A 84 1.293 7.493 -7.407 1.00 0.00 C ATOM 1068 O LYS A 84 2.449 7.921 -7.366 1.00 0.00 O ATOM 1069 CB LYS A 84 0.348 9.039 -9.157 1.00 0.00 C ATOM 1070 CG LYS A 84 1.507 9.993 -9.210 1.00 0.00 C ATOM 1071 CD LYS A 84 1.579 10.622 -10.573 1.00 0.00 C ATOM 1072 CE LYS A 84 2.745 11.573 -10.702 1.00 0.00 C ATOM 1073 NZ LYS A 84 2.691 12.345 -11.968 1.00 0.00 N ATOM 0 H LYS A 84 0.268 10.340 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.763 7.773 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.506 8.252 -9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.558 9.571 -9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.392 10.764 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.436 9.466 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.665 9.840 -11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.651 11.158 -10.773 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.748 12.261 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.678 11.011 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.508 12.986 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.714 11.690 -12.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.813 12.901 -11.998 1.00 0.00 H new ATOM 1087 N PRO A 85 0.995 6.232 -7.068 1.00 0.00 N ATOM 1088 CA PRO A 85 2.006 5.264 -6.646 1.00 0.00 C ATOM 1089 C PRO A 85 2.912 4.833 -7.791 1.00 0.00 C ATOM 1090 O PRO A 85 2.440 4.459 -8.869 1.00 0.00 O ATOM 1091 CB PRO A 85 1.186 4.067 -6.144 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.218 4.553 -6.043 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.350 5.651 -7.054 1.00 0.00 C ATOM 0 HA PRO A 85 2.671 5.687 -5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.260 3.225 -6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.551 3.721 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.925 3.748 -6.247 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.433 4.919 -5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.637 5.268 -8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.105 6.382 -6.763 1.00 0.00 H new ATOM 1101 N ASP A 86 4.217 4.896 -7.543 1.00 0.00 N ATOM 1102 CA ASP A 86 5.211 4.442 -8.509 1.00 0.00 C ATOM 1103 C ASP A 86 5.050 2.949 -8.738 1.00 0.00 C ATOM 1104 O ASP A 86 5.271 2.448 -9.838 1.00 0.00 O ATOM 1105 CB ASP A 86 6.631 4.728 -8.008 1.00 0.00 C ATOM 1106 CG ASP A 86 6.856 6.184 -7.641 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.469 6.585 -6.522 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.424 6.935 -8.465 1.00 0.00 O ATOM 0 H ASP A 86 4.612 5.259 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 86 5.056 4.982 -9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.834 4.105 -7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.346 4.440 -8.779 1.00 0.00 H new ATOM 1113 N VAL A 87 4.669 2.243 -7.678 1.00 0.00 N ATOM 1114 CA VAL A 87 4.394 0.818 -7.754 1.00 0.00 C ATOM 1115 C VAL A 87 3.163 0.464 -6.921 1.00 0.00 C ATOM 1116 O VAL A 87 3.009 0.926 -5.789 1.00 0.00 O ATOM 1117 CB VAL A 87 5.599 -0.039 -7.295 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.705 -0.015 -8.330 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.141 0.422 -5.955 1.00 0.00 C ATOM 0 H VAL A 87 4.544 2.643 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 87 4.204 0.589 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 87 5.237 -1.061 -7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.540 -0.624 -7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.330 -0.414 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.042 1.011 -8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.985 -0.205 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.469 1.459 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.359 0.344 -5.200 1.00 0.00 H new ATOM 1129 N THR A 88 2.277 -0.329 -7.499 1.00 0.00 N ATOM 1130 CA THR A 88 1.059 -0.748 -6.820 1.00 0.00 C ATOM 1131 C THR A 88 1.049 -2.261 -6.625 1.00 0.00 C ATOM 1132 O THR A 88 1.458 -3.006 -7.514 1.00 0.00 O ATOM 1133 CB THR A 88 -0.187 -0.322 -7.623 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.144 1.093 -7.854 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.477 -0.682 -6.893 1.00 0.00 C ATOM 0 H THR A 88 2.378 -0.699 -8.444 1.00 0.00 H new ATOM 0 HA THR A 88 1.034 -0.262 -5.845 1.00 0.00 H new ATOM 0 HB THR A 88 -0.178 -0.859 -8.572 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.934 1.365 -8.366 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.333 -0.366 -7.490 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.520 -1.760 -6.740 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.502 -0.177 -5.927 1.00 0.00 H new ATOM 1143 N PHE A 89 0.594 -2.702 -5.459 1.00 0.00 N ATOM 1144 CA PHE A 89 0.506 -4.119 -5.146 1.00 0.00 C ATOM 1145 C PHE A 89 -0.946 -4.502 -4.896 1.00 0.00 C ATOM 1146 O PHE A 89 -1.661 -3.803 -4.178 1.00 0.00 O ATOM 1147 CB PHE A 89 1.333 -4.461 -3.898 1.00 0.00 C ATOM 1148 CG PHE A 89 2.772 -4.031 -3.968 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.143 -2.742 -3.618 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.753 -4.919 -4.373 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.464 -2.348 -3.674 1.00 0.00 C ATOM 1152 CE2 PHE A 89 5.077 -4.529 -4.432 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.432 -3.242 -4.084 1.00 0.00 C ATOM 0 H PHE A 89 0.277 -2.089 -4.708 1.00 0.00 H new ATOM 0 HA PHE A 89 0.901 -4.677 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.869 -3.993 -3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.296 -5.538 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.389 -2.038 -3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.481 -5.928 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.740 -1.341 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.834 -5.231 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.466 -2.935 -4.132 1.00 0.00 H new ATOM 1163 N THR A 90 -1.385 -5.589 -5.501 1.00 0.00 N ATOM 1164 CA THR A 90 -2.721 -6.106 -5.251 1.00 0.00 C ATOM 1165 C THR A 90 -2.636 -7.412 -4.472 1.00 0.00 C ATOM 1166 O THR A 90 -1.898 -8.317 -4.858 1.00 0.00 O ATOM 1167 CB THR A 90 -3.480 -6.346 -6.564 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.275 -5.235 -7.448 1.00 0.00 O ATOM 1169 CG2 THR A 90 -4.968 -6.519 -6.306 1.00 0.00 C ATOM 0 H THR A 90 -0.838 -6.132 -6.169 1.00 0.00 H new ATOM 0 HA THR A 90 -3.264 -5.362 -4.668 1.00 0.00 H new ATOM 0 HB THR A 90 -3.098 -7.259 -7.021 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.759 -5.390 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.484 -6.688 -7.251 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.126 -7.374 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.362 -5.620 -5.833 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.379 -7.492 -3.375 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.358 -8.656 -2.493 1.00 0.00 C ATOM 1179 C ILE A 91 -4.596 -8.655 -1.605 1.00 0.00 C ATOM 1180 O ILE A 91 -5.092 -7.602 -1.209 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.065 -8.661 -1.630 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -1.052 -9.647 -2.205 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.350 -8.992 -0.173 1.00 0.00 C ATOM 1184 CD1 ILE A 91 -1.419 -11.100 -1.985 1.00 0.00 C ATOM 0 H ILE A 91 -4.013 -6.753 -3.070 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.363 -9.561 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.649 -7.654 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.950 -9.466 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.078 -9.456 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.417 -8.984 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.032 -8.250 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.805 -9.980 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.651 -11.739 -2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.492 -11.299 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.378 -11.309 -2.459 1.00 0.00 H new ATOM 1196 N SER A 92 -5.110 -9.838 -1.331 1.00 0.00 N ATOM 1197 CA SER A 92 -6.259 -9.991 -0.466 1.00 0.00 C ATOM 1198 C SER A 92 -5.850 -9.956 1.005 1.00 0.00 C ATOM 1199 O SER A 92 -4.765 -10.405 1.379 1.00 0.00 O ATOM 1200 CB SER A 92 -6.955 -11.304 -0.800 1.00 0.00 C ATOM 1201 OG SER A 92 -6.163 -12.061 -1.695 1.00 0.00 O ATOM 0 H SER A 92 -4.744 -10.715 -1.701 1.00 0.00 H new ATOM 0 HA SER A 92 -6.945 -9.160 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.131 -11.873 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.930 -11.105 -1.245 1.00 0.00 H new ATOM 0 HG SER A 92 -5.354 -12.368 -1.236 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.758 -9.417 1.817 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.572 -9.227 3.258 1.00 0.00 C ATOM 1209 C ASP A 93 -6.118 -10.506 3.949 1.00 0.00 C ATOM 1210 O ASP A 93 -5.410 -10.469 4.955 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.897 -8.752 3.862 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.880 -8.678 5.375 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.328 -7.706 5.918 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.453 -9.580 6.024 1.00 0.00 O ATOM 0 H ASP A 93 -7.666 -9.092 1.485 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.790 -8.484 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.138 -7.768 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.693 -9.427 3.548 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.521 -11.629 3.383 1.00 0.00 N ATOM 1220 CA GLU A 94 -6.237 -12.933 3.952 1.00 0.00 C ATOM 1221 C GLU A 94 -4.769 -13.314 3.763 1.00 0.00 C ATOM 1222 O GLU A 94 -4.171 -13.964 4.621 1.00 0.00 O ATOM 1223 CB GLU A 94 -7.133 -13.978 3.291 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.506 -13.443 2.907 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.450 -14.535 2.464 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -9.938 -15.288 3.331 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.712 -14.648 1.248 1.00 0.00 O ATOM 0 H GLU A 94 -7.055 -11.662 2.515 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.438 -12.894 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.637 -14.358 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.257 -14.821 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.938 -12.917 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.397 -12.714 2.104 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.190 -12.896 2.642 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.822 -13.279 2.300 1.00 0.00 C ATOM 1236 C ASP A 95 -1.824 -12.273 2.853 1.00 0.00 C ATOM 1237 O ASP A 95 -0.675 -12.616 3.142 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.639 -13.374 0.780 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.671 -14.255 0.102 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -3.546 -15.495 0.176 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -4.600 -13.708 -0.531 1.00 0.00 O ATOM 0 H ASP A 95 -4.644 -12.294 1.956 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.640 -14.257 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.690 -12.373 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.643 -13.762 0.565 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.276 -11.031 3.012 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.404 -9.935 3.429 1.00 0.00 C ATOM 1248 C VAL A 96 -0.718 -10.249 4.759 1.00 0.00 C ATOM 1249 O VAL A 96 0.414 -9.835 5.000 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.196 -8.605 3.568 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.428 -8.239 5.029 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.495 -7.463 2.851 1.00 0.00 C ATOM 0 H VAL A 96 -3.246 -10.758 2.857 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.647 -9.820 2.653 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.166 -8.766 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.985 -7.304 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.998 -9.030 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.468 -8.121 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.076 -6.548 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.502 -7.320 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.403 -7.701 1.791 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.405 -11.003 5.604 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.969 -11.207 6.974 1.00 0.00 C ATOM 1264 C VAL A 97 0.289 -12.052 7.042 1.00 0.00 C ATOM 1265 O VAL A 97 1.094 -11.906 7.958 1.00 0.00 O ATOM 1266 CB VAL A 97 -2.084 -11.847 7.823 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -3.349 -11.027 7.691 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -2.341 -13.287 7.404 1.00 0.00 C ATOM 0 H VAL A 97 -2.271 -11.485 5.362 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.739 -10.224 7.385 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.763 -11.859 8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.139 -11.478 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.163 -10.012 8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.658 -11.000 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.133 -13.710 8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.645 -13.313 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.430 -13.871 7.532 1.00 0.00 H new ATOM 1278 N ASP A 98 0.466 -12.932 6.073 1.00 0.00 N ATOM 1279 CA ASP A 98 1.675 -13.723 6.010 1.00 0.00 C ATOM 1280 C ASP A 98 2.753 -12.919 5.313 1.00 0.00 C ATOM 1281 O ASP A 98 3.932 -13.042 5.627 1.00 0.00 O ATOM 1282 CB ASP A 98 1.451 -15.051 5.283 1.00 0.00 C ATOM 1283 CG ASP A 98 0.475 -15.965 6.000 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.865 -16.593 7.006 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.684 -16.074 5.552 1.00 0.00 O ATOM 0 H ASP A 98 -0.206 -13.114 5.328 1.00 0.00 H new ATOM 0 HA ASP A 98 1.984 -13.963 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.080 -14.850 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.406 -15.564 5.173 1.00 0.00 H new ATOM 1290 N LEU A 99 2.336 -12.070 4.385 1.00 0.00 N ATOM 1291 CA LEU A 99 3.270 -11.227 3.646 1.00 0.00 C ATOM 1292 C LEU A 99 3.957 -10.242 4.582 1.00 0.00 C ATOM 1293 O LEU A 99 5.183 -10.149 4.623 1.00 0.00 O ATOM 1294 CB LEU A 99 2.542 -10.458 2.538 1.00 0.00 C ATOM 1295 CG LEU A 99 2.031 -11.306 1.374 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.195 -10.461 0.433 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.190 -11.932 0.618 1.00 0.00 C ATOM 0 H LEU A 99 1.358 -11.945 4.125 1.00 0.00 H new ATOM 0 HA LEU A 99 4.022 -11.874 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.696 -9.932 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.217 -9.699 2.143 1.00 0.00 H new ATOM 0 HG LEU A 99 1.409 -12.104 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.838 -11.079 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.343 -10.049 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.802 -9.646 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.805 -12.532 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.835 -11.146 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.763 -12.568 1.292 1.00 0.00 H new ATOM 1309 N ILE A 100 3.151 -9.529 5.353 1.00 0.00 N ATOM 1310 CA ILE A 100 3.653 -8.485 6.231 1.00 0.00 C ATOM 1311 C ILE A 100 4.330 -9.076 7.472 1.00 0.00 C ATOM 1312 O ILE A 100 5.093 -8.400 8.158 1.00 0.00 O ATOM 1313 CB ILE A 100 2.511 -7.527 6.649 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.750 -7.059 5.402 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.066 -6.338 7.427 1.00 0.00 C ATOM 1316 CD1 ILE A 100 0.712 -5.989 5.667 1.00 0.00 C ATOM 0 H ILE A 100 2.140 -9.656 5.388 1.00 0.00 H new ATOM 0 HA ILE A 100 4.401 -7.919 5.676 1.00 0.00 H new ATOM 0 HB ILE A 100 1.820 -8.059 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.468 -6.680 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.259 -7.919 4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.248 -5.676 7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.574 -6.695 8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.773 -5.793 6.802 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.223 -5.717 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.031 -6.369 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.196 -5.110 6.092 1.00 0.00 H new ATOM 1328 N SER A 101 4.072 -10.347 7.746 1.00 0.00 N ATOM 1329 CA SER A 101 4.672 -11.004 8.899 1.00 0.00 C ATOM 1330 C SER A 101 5.957 -11.739 8.514 1.00 0.00 C ATOM 1331 O SER A 101 6.646 -12.294 9.373 1.00 0.00 O ATOM 1332 CB SER A 101 3.677 -11.980 9.532 1.00 0.00 C ATOM 1333 OG SER A 101 4.225 -12.616 10.675 1.00 0.00 O ATOM 0 H SER A 101 3.456 -10.940 7.190 1.00 0.00 H new ATOM 0 HA SER A 101 4.928 -10.234 9.626 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.770 -11.445 9.813 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.389 -12.733 8.799 1.00 0.00 H new ATOM 0 HG SER A 101 5.201 -12.652 10.593 1.00 0.00 H new ATOM 1339 N GLY A 102 6.275 -11.747 7.223 1.00 0.00 N ATOM 1340 CA GLY A 102 7.474 -12.425 6.758 1.00 0.00 C ATOM 1341 C GLY A 102 7.293 -13.929 6.714 1.00 0.00 C ATOM 1342 O GLY A 102 8.240 -14.690 6.916 1.00 0.00 O ATOM 0 H GLY A 102 5.725 -11.297 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.734 -12.062 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.308 -12.179 7.415 1.00 0.00 H new ATOM 1346 N LYS A 103 6.066 -14.349 6.461 1.00 0.00 N ATOM 1347 CA LYS A 103 5.720 -15.761 6.405 1.00 0.00 C ATOM 1348 C LYS A 103 5.485 -16.197 4.967 1.00 0.00 C ATOM 1349 O LYS A 103 5.935 -17.261 4.541 1.00 0.00 O ATOM 1350 CB LYS A 103 4.450 -16.003 7.214 1.00 0.00 C ATOM 1351 CG LYS A 103 4.646 -15.889 8.714 1.00 0.00 C ATOM 1352 CD LYS A 103 3.333 -16.054 9.457 1.00 0.00 C ATOM 1353 CE LYS A 103 3.516 -15.913 10.959 1.00 0.00 C ATOM 1354 NZ LYS A 103 4.448 -16.934 11.504 1.00 0.00 N ATOM 0 H LYS A 103 5.280 -13.722 6.288 1.00 0.00 H new ATOM 0 HA LYS A 103 6.545 -16.340 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.690 -15.287 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.067 -16.997 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.353 -16.648 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.082 -14.919 8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.620 -15.308 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.908 -17.032 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.896 -14.917 11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.548 -16.005 11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.378 -16.949 12.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.197 -17.870 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.422 -16.699 11.226 1.00 0.00 H new ATOM 1368 N LEU A 104 4.788 -15.358 4.227 1.00 0.00 N ATOM 1369 CA LEU A 104 4.495 -15.628 2.837 1.00 0.00 C ATOM 1370 C LEU A 104 5.402 -14.792 1.951 1.00 0.00 C ATOM 1371 O LEU A 104 5.424 -13.567 2.051 1.00 0.00 O ATOM 1372 CB LEU A 104 3.019 -15.337 2.559 1.00 0.00 C ATOM 1373 CG LEU A 104 2.576 -15.370 1.093 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.905 -16.706 0.452 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.085 -15.080 0.982 1.00 0.00 C ATOM 0 H LEU A 104 4.411 -14.475 4.572 1.00 0.00 H new ATOM 0 HA LEU A 104 4.682 -16.679 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.420 -16.060 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.784 -14.352 2.963 1.00 0.00 H new ATOM 0 HG LEU A 104 3.125 -14.595 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.579 -16.701 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.981 -16.875 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.391 -17.503 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.786 -15.107 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.526 -15.832 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.875 -14.093 1.394 1.00 0.00 H new ATOM 1387 N ASN A 105 6.176 -15.471 1.123 1.00 0.00 N ATOM 1388 CA ASN A 105 7.072 -14.805 0.192 1.00 0.00 C ATOM 1389 C ASN A 105 6.278 -14.080 -0.884 1.00 0.00 C ATOM 1390 O ASN A 105 5.513 -14.702 -1.624 1.00 0.00 O ATOM 1391 CB ASN A 105 8.022 -15.819 -0.455 1.00 0.00 C ATOM 1392 CG ASN A 105 9.200 -16.176 0.432 1.00 0.00 C ATOM 1393 OD1 ASN A 105 9.106 -16.143 1.659 1.00 0.00 O ATOM 1394 ND2 ASN A 105 10.318 -16.527 -0.185 1.00 0.00 N ATOM 0 H ASN A 105 6.202 -16.490 1.076 1.00 0.00 H new ATOM 0 HA ASN A 105 7.661 -14.075 0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.467 -16.726 -0.696 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.393 -15.413 -1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.142 -16.783 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.355 -16.542 -1.204 1.00 0.00 H new ATOM 1401 N PRO A 106 6.451 -12.752 -0.990 1.00 0.00 N ATOM 1402 CA PRO A 106 5.784 -11.961 -2.017 1.00 0.00 C ATOM 1403 C PRO A 106 6.246 -12.383 -3.399 1.00 0.00 C ATOM 1404 O PRO A 106 5.567 -12.157 -4.397 1.00 0.00 O ATOM 1405 CB PRO A 106 6.184 -10.509 -1.734 1.00 0.00 C ATOM 1406 CG PRO A 106 6.961 -10.515 -0.457 1.00 0.00 C ATOM 1407 CD PRO A 106 7.321 -11.939 -0.127 1.00 0.00 C ATOM 0 HA PRO A 106 4.703 -12.095 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.785 -10.108 -2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.302 -9.875 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.862 -9.910 -0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.371 -10.077 0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.374 -12.138 -0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.149 -12.157 0.927 1.00 0.00 H new ATOM 1415 N GLN A 107 7.412 -13.005 -3.429 1.00 0.00 N ATOM 1416 CA GLN A 107 7.957 -13.585 -4.636 1.00 0.00 C ATOM 1417 C GLN A 107 7.062 -14.701 -5.156 1.00 0.00 C ATOM 1418 O GLN A 107 6.573 -14.643 -6.284 1.00 0.00 O ATOM 1419 CB GLN A 107 9.345 -14.141 -4.353 1.00 0.00 C ATOM 1420 CG GLN A 107 10.417 -13.076 -4.153 1.00 0.00 C ATOM 1421 CD GLN A 107 10.237 -12.285 -2.868 1.00 0.00 C ATOM 1422 OE1 GLN A 107 9.759 -12.815 -1.865 1.00 0.00 O ATOM 1423 NE2 GLN A 107 10.590 -11.008 -2.897 1.00 0.00 N ATOM 0 H GLN A 107 8.008 -13.120 -2.609 1.00 0.00 H new ATOM 0 HA GLN A 107 8.016 -12.805 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.299 -14.766 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.641 -14.787 -5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 107 11.397 -13.552 -4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.402 -12.390 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.983 -10.607 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.469 -10.426 -2.068 1.00 0.00 H new ATOM 1432 N LYS A 108 6.845 -15.715 -4.326 1.00 0.00 N ATOM 1433 CA LYS A 108 6.019 -16.843 -4.724 1.00 0.00 C ATOM 1434 C LYS A 108 4.579 -16.396 -4.900 1.00 0.00 C ATOM 1435 O LYS A 108 3.868 -16.892 -5.770 1.00 0.00 O ATOM 1436 CB LYS A 108 6.102 -17.985 -3.702 1.00 0.00 C ATOM 1437 CG LYS A 108 5.323 -17.743 -2.416 1.00 0.00 C ATOM 1438 CD LYS A 108 4.523 -18.970 -2.006 1.00 0.00 C ATOM 1439 CE LYS A 108 3.107 -18.943 -2.572 1.00 0.00 C ATOM 1440 NZ LYS A 108 2.367 -20.197 -2.270 1.00 0.00 N ATOM 0 H LYS A 108 7.227 -15.777 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 108 6.396 -17.220 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.734 -18.899 -4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.149 -18.155 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.014 -17.475 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.649 -16.897 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.035 -19.868 -2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 108 4.478 -19.027 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.566 -18.093 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.150 -18.797 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.409 -20.140 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.870 -21.006 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.304 -20.323 -1.240 1.00 0.00 H new ATOM 1454 N ALA A 109 4.155 -15.438 -4.083 1.00 0.00 N ATOM 1455 CA ALA A 109 2.803 -14.912 -4.180 1.00 0.00 C ATOM 1456 C ALA A 109 2.619 -14.184 -5.503 1.00 0.00 C ATOM 1457 O ALA A 109 1.519 -14.136 -6.051 1.00 0.00 O ATOM 1458 CB ALA A 109 2.495 -13.991 -3.012 1.00 0.00 C ATOM 0 H ALA A 109 4.725 -15.014 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 109 2.103 -15.747 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.478 -13.610 -3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.589 -14.544 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.196 -13.157 -3.012 1.00 0.00 H new ATOM 1464 N PHE A 110 3.708 -13.624 -6.016 1.00 0.00 N ATOM 1465 CA PHE A 110 3.693 -12.976 -7.317 1.00 0.00 C ATOM 1466 C PHE A 110 3.422 -14.014 -8.404 1.00 0.00 C ATOM 1467 O PHE A 110 2.582 -13.814 -9.283 1.00 0.00 O ATOM 1468 CB PHE A 110 5.035 -12.273 -7.580 1.00 0.00 C ATOM 1469 CG PHE A 110 5.118 -11.561 -8.906 1.00 0.00 C ATOM 1470 CD1 PHE A 110 5.508 -12.237 -10.052 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.809 -10.213 -9.004 1.00 0.00 C ATOM 1472 CE1 PHE A 110 5.587 -11.584 -11.267 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.886 -9.555 -10.215 1.00 0.00 C ATOM 1474 CZ PHE A 110 5.275 -10.242 -11.349 1.00 0.00 C ATOM 0 H PHE A 110 4.614 -13.607 -5.547 1.00 0.00 H new ATOM 0 HA PHE A 110 2.902 -12.227 -7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.215 -11.552 -6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.834 -13.012 -7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.753 -13.287 -9.994 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.504 -9.671 -8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.893 -12.123 -12.152 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.643 -8.505 -10.276 1.00 0.00 H new ATOM 0 HZ PHE A 110 5.335 -9.730 -12.298 1.00 0.00 H new ATOM 1484 N PHE A 111 4.138 -15.132 -8.319 1.00 0.00 N ATOM 1485 CA PHE A 111 4.025 -16.209 -9.297 1.00 0.00 C ATOM 1486 C PHE A 111 2.656 -16.881 -9.219 1.00 0.00 C ATOM 1487 O PHE A 111 2.077 -17.258 -10.239 1.00 0.00 O ATOM 1488 CB PHE A 111 5.127 -17.248 -9.062 1.00 0.00 C ATOM 1489 CG PHE A 111 5.141 -18.355 -10.078 1.00 0.00 C ATOM 1490 CD1 PHE A 111 5.692 -18.155 -11.333 1.00 0.00 C ATOM 1491 CD2 PHE A 111 4.598 -19.595 -9.780 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.700 -19.169 -12.271 1.00 0.00 C ATOM 1493 CE2 PHE A 111 4.603 -20.613 -10.715 1.00 0.00 C ATOM 1494 CZ PHE A 111 5.155 -20.398 -11.962 1.00 0.00 C ATOM 0 H PHE A 111 4.810 -15.316 -7.574 1.00 0.00 H new ATOM 0 HA PHE A 111 4.139 -15.777 -10.291 1.00 0.00 H new ATOM 0 HB2 PHE A 111 6.095 -16.746 -9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.001 -17.680 -8.069 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.120 -17.195 -11.581 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.166 -19.768 -8.805 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.133 -19.000 -13.246 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.176 -21.574 -10.471 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.160 -21.191 -12.695 1.00 0.00 H new ATOM 1504 N GLN A 112 2.144 -17.013 -8.002 1.00 0.00 N ATOM 1505 CA GLN A 112 0.879 -17.692 -7.760 1.00 0.00 C ATOM 1506 C GLN A 112 -0.321 -16.790 -8.069 1.00 0.00 C ATOM 1507 O GLN A 112 -1.458 -17.115 -7.726 1.00 0.00 O ATOM 1508 CB GLN A 112 0.843 -18.178 -6.308 1.00 0.00 C ATOM 1509 CG GLN A 112 1.864 -19.264 -6.015 1.00 0.00 C ATOM 1510 CD GLN A 112 1.642 -20.518 -6.840 1.00 0.00 C ATOM 1511 OE1 GLN A 112 2.175 -20.657 -7.938 1.00 0.00 O ATOM 1512 NE2 GLN A 112 0.855 -21.443 -6.316 1.00 0.00 N ATOM 0 H GLN A 112 2.592 -16.654 -7.159 1.00 0.00 H new ATOM 0 HA GLN A 112 0.807 -18.547 -8.432 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.021 -17.332 -5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.154 -18.556 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.864 -18.878 -6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.822 -19.519 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.430 -21.292 -5.401 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.673 -22.307 -6.827 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.058 -15.651 -8.706 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.128 -14.787 -9.179 1.00 0.00 C ATOM 1523 C GLY A 113 -1.790 -13.994 -8.072 1.00 0.00 C ATOM 1524 O GLY A 113 -2.803 -13.329 -8.294 1.00 0.00 O ATOM 0 H GLY A 113 0.883 -15.309 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.727 -14.097 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.881 -15.394 -9.682 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.221 -14.062 -6.881 1.00 0.00 N ATOM 1529 CA LYS A 114 -1.754 -13.349 -5.734 1.00 0.00 C ATOM 1530 C LYS A 114 -1.291 -11.908 -5.745 1.00 0.00 C ATOM 1531 O LYS A 114 -2.097 -10.981 -5.686 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.306 -14.029 -4.440 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.018 -15.341 -4.166 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.231 -15.164 -3.262 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.228 -14.148 -3.804 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.539 -14.260 -3.119 1.00 0.00 N ATOM 0 H LYS A 114 -0.383 -14.609 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.842 -13.367 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.232 -14.211 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.478 -13.350 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.333 -15.785 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.321 -16.040 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.730 -16.125 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.898 -14.848 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.832 -13.141 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.361 -14.301 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.208 -14.769 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.421 -14.781 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.908 -13.309 -2.919 1.00 0.00 H new ATOM 1550 N ILE A 115 0.013 -11.737 -5.840 1.00 0.00 N ATOM 1551 CA ILE A 115 0.619 -10.423 -5.813 1.00 0.00 C ATOM 1552 C ILE A 115 0.696 -9.838 -7.222 1.00 0.00 C ATOM 1553 O ILE A 115 1.346 -10.389 -8.117 1.00 0.00 O ATOM 1554 CB ILE A 115 2.005 -10.485 -5.115 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.907 -9.888 -3.725 1.00 0.00 C ATOM 1556 CG2 ILE A 115 3.078 -9.750 -5.880 1.00 0.00 C ATOM 1557 CD1 ILE A 115 3.011 -10.328 -2.809 1.00 0.00 C ATOM 0 H ILE A 115 0.679 -12.503 -5.938 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.006 -9.749 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 115 2.286 -11.537 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.921 -8.801 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.948 -10.164 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.024 -9.827 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.185 -10.191 -6.871 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.801 -8.700 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.880 -9.864 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.985 -11.412 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.972 -10.028 -3.227 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.037 -8.754 -7.420 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.027 -8.036 -8.684 1.00 0.00 C ATOM 1571 C LYS A 116 0.644 -6.687 -8.496 1.00 0.00 C ATOM 1572 O LYS A 116 0.054 -5.769 -7.927 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.455 -7.835 -9.202 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.235 -9.127 -9.395 1.00 0.00 C ATOM 1575 CD LYS A 116 -1.570 -10.025 -10.423 1.00 0.00 C ATOM 1576 CE LYS A 116 -1.500 -9.355 -11.788 1.00 0.00 C ATOM 1577 NZ LYS A 116 -0.822 -10.209 -12.798 1.00 0.00 N ATOM 0 H LYS A 116 -0.652 -8.349 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 116 0.528 -8.623 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.997 -7.197 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.413 -7.303 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.311 -9.654 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.252 -8.896 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.564 -10.279 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.124 -10.960 -10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.509 -9.123 -12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.968 -8.408 -11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -0.797 -9.713 -13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.150 -10.410 -12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.343 -11.103 -12.903 1.00 0.00 H new ATOM 1591 N ILE A 117 1.884 -6.583 -8.946 1.00 0.00 N ATOM 1592 CA ILE A 117 2.664 -5.377 -8.768 1.00 0.00 C ATOM 1593 C ILE A 117 3.304 -4.942 -10.083 1.00 0.00 C ATOM 1594 O ILE A 117 3.920 -5.745 -10.790 1.00 0.00 O ATOM 1595 CB ILE A 117 3.739 -5.585 -7.666 1.00 0.00 C ATOM 1596 CG1 ILE A 117 5.024 -4.813 -7.957 1.00 0.00 C ATOM 1597 CG2 ILE A 117 4.048 -7.059 -7.479 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.929 -3.330 -7.677 1.00 0.00 C ATOM 0 H ILE A 117 2.372 -7.329 -9.441 1.00 0.00 H new ATOM 0 HA ILE A 117 1.995 -4.579 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 117 3.319 -5.190 -6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.832 -5.234 -7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.294 -4.958 -9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.803 -7.177 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.140 -7.587 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.422 -7.474 -8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.882 -2.854 -7.909 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.145 -2.893 -8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.692 -3.173 -6.625 1.00 0.00 H new ATOM 1610 N GLN A 118 3.132 -3.669 -10.414 1.00 0.00 N ATOM 1611 CA GLN A 118 3.755 -3.090 -11.592 1.00 0.00 C ATOM 1612 C GLN A 118 5.178 -2.685 -11.231 1.00 0.00 C ATOM 1613 O GLN A 118 5.407 -1.597 -10.702 1.00 0.00 O ATOM 1614 CB GLN A 118 2.947 -1.877 -12.069 1.00 0.00 C ATOM 1615 CG GLN A 118 2.753 -1.803 -13.581 1.00 0.00 C ATOM 1616 CD GLN A 118 3.996 -1.377 -14.343 1.00 0.00 C ATOM 1617 OE1 GLN A 118 5.126 -1.631 -13.930 1.00 0.00 O ATOM 1618 NE2 GLN A 118 3.793 -0.724 -15.471 1.00 0.00 N ATOM 0 H GLN A 118 2.562 -3.015 -9.877 1.00 0.00 H new ATOM 0 HA GLN A 118 3.778 -3.816 -12.405 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.968 -1.897 -11.590 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.447 -0.968 -11.734 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.434 -2.780 -13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.947 -1.102 -13.800 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.842 -0.530 -15.784 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.587 -0.413 -16.030 1.00 0.00 H new ATOM 1627 N GLY A 119 6.121 -3.577 -11.499 1.00 0.00 N ATOM 1628 CA GLY A 119 7.486 -3.379 -11.065 1.00 0.00 C ATOM 1629 C GLY A 119 8.210 -2.284 -11.819 1.00 0.00 C ATOM 1630 O GLY A 119 8.667 -2.488 -12.944 1.00 0.00 O ATOM 0 H GLY A 119 5.961 -4.442 -12.015 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.489 -3.139 -10.002 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.035 -4.313 -11.183 1.00 0.00 H new ATOM 1634 N ASN A 120 8.303 -1.115 -11.202 1.00 0.00 N ATOM 1635 CA ASN A 120 9.132 -0.039 -11.722 1.00 0.00 C ATOM 1636 C ASN A 120 10.587 -0.487 -11.676 1.00 0.00 C ATOM 1637 O ASN A 120 11.133 -0.720 -10.599 1.00 0.00 O ATOM 1638 CB ASN A 120 8.918 1.243 -10.901 1.00 0.00 C ATOM 1639 CG ASN A 120 9.704 2.438 -11.420 1.00 0.00 C ATOM 1640 OD1 ASN A 120 10.834 2.311 -11.897 1.00 0.00 O ATOM 1641 ND2 ASN A 120 9.101 3.612 -11.340 1.00 0.00 N ATOM 0 H ASN A 120 7.812 -0.888 -10.337 1.00 0.00 H new ATOM 0 HA ASN A 120 8.857 0.185 -12.753 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.856 1.490 -10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.203 1.053 -9.866 1.00 0.00 H new ATOM 0 HD21 ASN A 120 9.571 4.451 -11.679 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.165 3.679 -10.939 1.00 0.00 H new ATOM 1648 N MET A 121 11.200 -0.615 -12.848 1.00 0.00 N ATOM 1649 CA MET A 121 12.531 -1.207 -12.972 1.00 0.00 C ATOM 1650 C MET A 121 13.576 -0.476 -12.133 1.00 0.00 C ATOM 1651 O MET A 121 14.567 -1.060 -11.719 1.00 0.00 O ATOM 1652 CB MET A 121 12.983 -1.239 -14.434 1.00 0.00 C ATOM 1653 CG MET A 121 13.121 0.130 -15.078 1.00 0.00 C ATOM 1654 SD MET A 121 13.786 0.039 -16.752 1.00 0.00 S ATOM 1655 CE MET A 121 13.905 1.778 -17.160 1.00 0.00 C ATOM 0 H MET A 121 10.793 -0.314 -13.734 1.00 0.00 H new ATOM 0 HA MET A 121 12.449 -2.226 -12.593 1.00 0.00 H new ATOM 0 HB2 MET A 121 13.942 -1.754 -14.494 1.00 0.00 H new ATOM 0 HB3 MET A 121 12.269 -1.828 -15.010 1.00 0.00 H new ATOM 0 HG2 MET A 121 12.146 0.616 -15.103 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.772 0.753 -14.465 1.00 0.00 H new ATOM 0 HE1 MET A 121 14.302 1.889 -18.169 1.00 0.00 H new ATOM 0 HE2 MET A 121 12.916 2.233 -17.107 1.00 0.00 H new ATOM 0 HE3 MET A 121 14.570 2.273 -16.452 1.00 0.00 H new ATOM 1665 N GLY A 122 13.367 0.800 -11.894 1.00 0.00 N ATOM 1666 CA GLY A 122 14.310 1.550 -11.096 1.00 0.00 C ATOM 1667 C GLY A 122 13.977 1.542 -9.623 1.00 0.00 C ATOM 1668 O GLY A 122 14.866 1.491 -8.776 1.00 0.00 O ATOM 0 H GLY A 122 12.566 1.332 -12.234 1.00 0.00 H new ATOM 0 HA2 GLY A 122 15.308 1.136 -11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.338 2.580 -11.451 1.00 0.00 H new ATOM 1672 N LEU A 123 12.695 1.593 -9.321 1.00 0.00 N ATOM 1673 CA LEU A 123 12.237 1.755 -7.951 1.00 0.00 C ATOM 1674 C LEU A 123 12.024 0.409 -7.272 1.00 0.00 C ATOM 1675 O LEU A 123 12.512 0.179 -6.168 1.00 0.00 O ATOM 1676 CB LEU A 123 10.947 2.573 -7.954 1.00 0.00 C ATOM 1677 CG LEU A 123 10.563 3.207 -6.622 1.00 0.00 C ATOM 1678 CD1 LEU A 123 9.977 4.585 -6.866 1.00 0.00 C ATOM 1679 CD2 LEU A 123 9.562 2.333 -5.880 1.00 0.00 C ATOM 0 H LEU A 123 11.946 1.524 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 123 13.003 2.281 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.042 3.364 -8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.130 1.928 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 123 11.457 3.299 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.703 5.038 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.716 5.211 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.091 4.497 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.301 2.803 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.664 2.214 -6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.004 1.355 -5.690 1.00 0.00 H new ATOM 1691 N ALA A 124 11.324 -0.490 -7.947 1.00 0.00 N ATOM 1692 CA ALA A 124 10.947 -1.757 -7.346 1.00 0.00 C ATOM 1693 C ALA A 124 12.125 -2.726 -7.295 1.00 0.00 C ATOM 1694 O ALA A 124 12.080 -3.715 -6.565 1.00 0.00 O ATOM 1695 CB ALA A 124 9.775 -2.376 -8.087 1.00 0.00 C ATOM 0 H ALA A 124 11.007 -0.365 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 124 10.640 -1.556 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.509 -3.324 -7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.921 -1.700 -8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.052 -2.549 -9.127 1.00 0.00 H new ATOM 1701 N MET A 125 13.191 -2.447 -8.046 1.00 0.00 N ATOM 1702 CA MET A 125 14.375 -3.305 -7.990 1.00 0.00 C ATOM 1703 C MET A 125 15.111 -3.121 -6.672 1.00 0.00 C ATOM 1704 O MET A 125 15.910 -3.963 -6.270 1.00 0.00 O ATOM 1705 CB MET A 125 15.324 -3.057 -9.162 1.00 0.00 C ATOM 1706 CG MET A 125 14.887 -3.737 -10.449 1.00 0.00 C ATOM 1707 SD MET A 125 16.132 -3.638 -11.752 1.00 0.00 S ATOM 1708 CE MET A 125 15.227 -4.355 -13.120 1.00 0.00 C ATOM 0 H MET A 125 13.260 -1.655 -8.685 1.00 0.00 H new ATOM 0 HA MET A 125 14.025 -4.335 -8.063 1.00 0.00 H new ATOM 0 HB2 MET A 125 15.402 -1.984 -9.336 1.00 0.00 H new ATOM 0 HB3 MET A 125 16.320 -3.410 -8.894 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.665 -4.784 -10.244 1.00 0.00 H new ATOM 0 HG3 MET A 125 13.963 -3.279 -10.801 1.00 0.00 H new ATOM 0 HE1 MET A 125 15.859 -4.368 -14.008 1.00 0.00 H new ATOM 0 HE2 MET A 125 14.934 -5.374 -12.868 1.00 0.00 H new ATOM 0 HE3 MET A 125 14.335 -3.760 -13.318 1.00 0.00 H new ATOM 1718 N LYS A 126 14.829 -2.022 -5.989 1.00 0.00 N ATOM 1719 CA LYS A 126 15.409 -1.781 -4.679 1.00 0.00 C ATOM 1720 C LYS A 126 14.704 -2.624 -3.624 1.00 0.00 C ATOM 1721 O LYS A 126 15.271 -2.919 -2.575 1.00 0.00 O ATOM 1722 CB LYS A 126 15.336 -0.298 -4.317 1.00 0.00 C ATOM 1723 CG LYS A 126 16.519 0.518 -4.817 1.00 0.00 C ATOM 1724 CD LYS A 126 16.639 0.491 -6.330 1.00 0.00 C ATOM 1725 CE LYS A 126 17.841 1.288 -6.808 1.00 0.00 C ATOM 1726 NZ LYS A 126 19.113 0.779 -6.229 1.00 0.00 N ATOM 0 H LYS A 126 14.205 -1.286 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 126 16.459 -2.071 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 126 14.418 0.122 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 126 15.273 -0.201 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 126 16.414 1.550 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 126 17.437 0.131 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.727 -0.541 -6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 126 15.731 0.898 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.895 1.245 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 126 17.713 2.336 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 19.917 1.155 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 19.190 1.085 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 19.123 -0.260 -6.272 1.00 0.00 H new ATOM 1740 N LEU A 127 13.474 -3.034 -3.924 1.00 0.00 N ATOM 1741 CA LEU A 127 12.710 -3.889 -3.022 1.00 0.00 C ATOM 1742 C LEU A 127 13.405 -5.232 -2.863 1.00 0.00 C ATOM 1743 O LEU A 127 13.570 -5.731 -1.748 1.00 0.00 O ATOM 1744 CB LEU A 127 11.284 -4.093 -3.546 1.00 0.00 C ATOM 1745 CG LEU A 127 10.425 -2.830 -3.617 1.00 0.00 C ATOM 1746 CD1 LEU A 127 9.093 -3.133 -4.283 1.00 0.00 C ATOM 1747 CD2 LEU A 127 10.200 -2.253 -2.227 1.00 0.00 C ATOM 0 H LEU A 127 12.986 -2.787 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 127 12.653 -3.400 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 127 11.340 -4.530 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 127 10.781 -4.819 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 127 10.955 -2.089 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.493 -2.224 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 127 9.267 -3.501 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.562 -3.891 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.587 -1.355 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.692 -2.990 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.161 -2.000 -1.778 1.00 0.00 H new ATOM 1759 N THR A 128 13.828 -5.811 -3.981 1.00 0.00 N ATOM 1760 CA THR A 128 14.553 -7.069 -3.945 1.00 0.00 C ATOM 1761 C THR A 128 15.988 -6.833 -3.473 1.00 0.00 C ATOM 1762 O THR A 128 16.537 -7.636 -2.724 1.00 0.00 O ATOM 1763 CB THR A 128 14.541 -7.792 -5.318 1.00 0.00 C ATOM 1764 OG1 THR A 128 15.197 -9.062 -5.219 1.00 0.00 O ATOM 1765 CG2 THR A 128 15.212 -6.966 -6.404 1.00 0.00 C ATOM 0 H THR A 128 13.681 -5.430 -4.916 1.00 0.00 H new ATOM 0 HA THR A 128 14.044 -7.723 -3.237 1.00 0.00 H new ATOM 0 HB THR A 128 13.496 -7.934 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 128 15.480 -9.354 -6.111 1.00 0.00 H new ATOM 0 HG21 THR A 128 15.180 -7.511 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 128 14.688 -6.017 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 128 16.250 -6.777 -6.129 1.00 0.00 H new ATOM 1773 N ASP A 129 16.571 -5.708 -3.880 1.00 0.00 N ATOM 1774 CA ASP A 129 17.938 -5.355 -3.491 1.00 0.00 C ATOM 1775 C ASP A 129 18.095 -5.365 -1.974 1.00 0.00 C ATOM 1776 O ASP A 129 19.079 -5.885 -1.442 1.00 0.00 O ATOM 1777 CB ASP A 129 18.304 -3.975 -4.038 1.00 0.00 C ATOM 1778 CG ASP A 129 19.745 -3.596 -3.764 1.00 0.00 C ATOM 1779 OD1 ASP A 129 20.652 -4.210 -4.365 1.00 0.00 O ATOM 1780 OD2 ASP A 129 19.978 -2.661 -2.970 1.00 0.00 O ATOM 0 H ASP A 129 16.117 -5.021 -4.482 1.00 0.00 H new ATOM 0 HA ASP A 129 18.611 -6.101 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 129 18.127 -3.957 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 129 17.646 -3.228 -3.594 1.00 0.00 H new ATOM 1785 N LEU A 130 17.097 -4.812 -1.289 1.00 0.00 N ATOM 1786 CA LEU A 130 17.081 -4.772 0.170 1.00 0.00 C ATOM 1787 C LEU A 130 17.222 -6.162 0.785 1.00 0.00 C ATOM 1788 O LEU A 130 17.935 -6.339 1.772 1.00 0.00 O ATOM 1789 CB LEU A 130 15.807 -4.114 0.673 1.00 0.00 C ATOM 1790 CG LEU A 130 15.701 -2.616 0.394 1.00 0.00 C ATOM 1791 CD1 LEU A 130 14.748 -1.990 1.378 1.00 0.00 C ATOM 1792 CD2 LEU A 130 17.062 -1.938 0.472 1.00 0.00 C ATOM 0 H LEU A 130 16.282 -4.382 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 130 17.942 -4.181 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 130 14.953 -4.615 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 130 15.733 -4.274 1.749 1.00 0.00 H new ATOM 0 HG LEU A 130 15.323 -2.479 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.671 -0.921 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 130 13.765 -2.450 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 130 15.117 -2.146 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 130 16.950 -0.873 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 130 17.480 -2.075 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 130 17.732 -2.380 -0.266 1.00 0.00 H new ATOM 1804 N GLN A 131 16.557 -7.154 0.203 1.00 0.00 N ATOM 1805 CA GLN A 131 16.616 -8.506 0.747 1.00 0.00 C ATOM 1806 C GLN A 131 17.795 -9.284 0.170 1.00 0.00 C ATOM 1807 O GLN A 131 18.234 -10.267 0.755 1.00 0.00 O ATOM 1808 CB GLN A 131 15.304 -9.265 0.518 1.00 0.00 C ATOM 1809 CG GLN A 131 14.906 -9.407 -0.939 1.00 0.00 C ATOM 1810 CD GLN A 131 13.675 -10.268 -1.129 1.00 0.00 C ATOM 1811 OE1 GLN A 131 13.518 -10.921 -2.158 1.00 0.00 O ATOM 1812 NE2 GLN A 131 12.792 -10.277 -0.143 1.00 0.00 N ATOM 0 H GLN A 131 15.980 -7.051 -0.632 1.00 0.00 H new ATOM 0 HA GLN A 131 16.764 -8.413 1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.393 -10.259 0.956 1.00 0.00 H new ATOM 0 HB3 GLN A 131 14.504 -8.752 1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.721 -8.418 -1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 131 15.736 -9.840 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 131 12.959 -9.721 0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.945 -10.840 -0.222 1.00 0.00 H new ATOM 1821 N ARG A 132 18.318 -8.839 -0.971 1.00 0.00 N ATOM 1822 CA ARG A 132 19.506 -9.461 -1.551 1.00 0.00 C ATOM 1823 C ARG A 132 20.700 -9.256 -0.628 1.00 0.00 C ATOM 1824 O ARG A 132 21.468 -10.182 -0.368 1.00 0.00 O ATOM 1825 CB ARG A 132 19.822 -8.885 -2.937 1.00 0.00 C ATOM 1826 CG ARG A 132 18.748 -9.132 -3.981 1.00 0.00 C ATOM 1827 CD ARG A 132 18.471 -10.613 -4.183 1.00 0.00 C ATOM 1828 NE ARG A 132 17.406 -10.836 -5.159 1.00 0.00 N ATOM 1829 CZ ARG A 132 17.285 -11.943 -5.890 1.00 0.00 C ATOM 1830 NH1 ARG A 132 18.144 -12.943 -5.737 1.00 0.00 N ATOM 1831 NH2 ARG A 132 16.295 -12.052 -6.770 1.00 0.00 N ATOM 0 H ARG A 132 17.942 -8.057 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 132 19.305 -10.526 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 132 19.979 -7.810 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 132 20.760 -9.314 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 132 17.829 -8.630 -3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 132 19.056 -8.690 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 132 19.381 -11.111 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 132 18.192 -11.064 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 132 16.713 -10.099 -5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 132 18.901 -12.866 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 132 18.047 -13.789 -6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 132 15.629 -11.288 -6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 132 16.202 -12.899 -7.330 1.00 0.00 H new ATOM 1845 N GLN A 133 20.838 -8.039 -0.115 1.00 0.00 N ATOM 1846 CA GLN A 133 21.922 -7.714 0.806 1.00 0.00 C ATOM 1847 C GLN A 133 21.608 -8.210 2.215 1.00 0.00 C ATOM 1848 O GLN A 133 22.448 -8.151 3.112 1.00 0.00 O ATOM 1849 CB GLN A 133 22.192 -6.212 0.805 1.00 0.00 C ATOM 1850 CG GLN A 133 20.992 -5.376 1.195 1.00 0.00 C ATOM 1851 CD GLN A 133 21.180 -3.913 0.863 1.00 0.00 C ATOM 1852 OE1 GLN A 133 21.859 -3.570 -0.107 1.00 0.00 O ATOM 1853 NE2 GLN A 133 20.590 -3.042 1.661 1.00 0.00 N ATOM 0 H GLN A 133 20.213 -7.260 -0.321 1.00 0.00 H new ATOM 0 HA GLN A 133 22.823 -8.224 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 133 23.011 -5.999 1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 133 22.524 -5.913 -0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 133 20.107 -5.752 0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 133 20.809 -5.483 2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.037 -3.369 2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 133 20.687 -2.042 1.485 1.00 0.00 H new ATOM 1862 N ALA A 134 20.392 -8.696 2.404 1.00 0.00 N ATOM 1863 CA ALA A 134 20.002 -9.299 3.668 1.00 0.00 C ATOM 1864 C ALA A 134 20.032 -10.819 3.555 1.00 0.00 C ATOM 1865 O ALA A 134 19.734 -11.531 4.512 1.00 0.00 O ATOM 1866 CB ALA A 134 18.622 -8.817 4.087 1.00 0.00 C ATOM 0 H ALA A 134 19.657 -8.685 1.697 1.00 0.00 H new ATOM 0 HA ALA A 134 20.714 -8.994 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 134 18.348 -9.279 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 134 18.635 -7.733 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 134 17.893 -9.093 3.325 1.00 0.00 H new ATOM 1872 N ALA A 135 20.402 -11.305 2.375 1.00 0.00 N ATOM 1873 CA ALA A 135 20.452 -12.737 2.117 1.00 0.00 C ATOM 1874 C ALA A 135 21.862 -13.279 2.312 1.00 0.00 C ATOM 1875 O ALA A 135 22.084 -14.489 2.265 1.00 0.00 O ATOM 1876 CB ALA A 135 19.964 -13.039 0.707 1.00 0.00 C ATOM 0 H ALA A 135 20.672 -10.725 1.581 1.00 0.00 H new ATOM 0 HA ALA A 135 19.795 -13.231 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 135 20.007 -14.114 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 135 18.936 -12.694 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 135 20.599 -12.526 -0.015 1.00 0.00 H new ATOM 1882 N GLY A 136 22.810 -12.379 2.530 1.00 0.00 N ATOM 1883 CA GLY A 136 24.178 -12.791 2.755 1.00 0.00 C ATOM 1884 C GLY A 136 24.992 -12.849 1.479 1.00 0.00 C ATOM 1885 O GLY A 136 25.666 -13.843 1.214 1.00 0.00 O ATOM 0 H GLY A 136 22.655 -11.371 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.651 -12.098 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.184 -13.773 3.229 1.00 0.00 H new ATOM 1889 N ARG A 137 24.927 -11.793 0.679 1.00 0.00 N ATOM 1890 CA ARG A 137 25.705 -11.728 -0.553 1.00 0.00 C ATOM 1891 C ARG A 137 27.081 -11.126 -0.275 1.00 0.00 C ATOM 1892 O ARG A 137 27.218 -9.929 -0.028 1.00 0.00 O ATOM 1893 CB ARG A 137 24.968 -10.922 -1.638 1.00 0.00 C ATOM 1894 CG ARG A 137 24.579 -9.510 -1.221 1.00 0.00 C ATOM 1895 CD ARG A 137 23.949 -8.731 -2.369 1.00 0.00 C ATOM 1896 NE ARG A 137 24.874 -8.546 -3.490 1.00 0.00 N ATOM 1897 CZ ARG A 137 24.765 -7.580 -4.402 1.00 0.00 C ATOM 1898 NH1 ARG A 137 23.774 -6.700 -4.338 1.00 0.00 N ATOM 1899 NH2 ARG A 137 25.654 -7.498 -5.381 1.00 0.00 N ATOM 0 H ARG A 137 24.347 -10.973 0.859 1.00 0.00 H new ATOM 0 HA ARG A 137 25.834 -12.743 -0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 137 25.602 -10.864 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 137 24.067 -11.464 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 137 23.878 -9.558 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 137 25.463 -8.980 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 137 23.060 -9.257 -2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 137 23.621 -7.757 -2.007 1.00 0.00 H new ATOM 0 HE ARG A 137 25.652 -9.199 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 137 23.087 -6.759 -3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 137 23.699 -5.964 -5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 137 26.417 -8.172 -5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 137 25.575 -6.761 -6.081 1.00 0.00 H new ATOM 1913 N ILE A 138 28.098 -11.975 -0.294 1.00 0.00 N ATOM 1914 CA ILE A 138 29.464 -11.533 -0.059 1.00 0.00 C ATOM 1915 C ILE A 138 30.008 -10.833 -1.298 1.00 0.00 C ATOM 1916 O ILE A 138 30.225 -9.620 -1.298 1.00 0.00 O ATOM 1917 CB ILE A 138 30.405 -12.710 0.326 1.00 0.00 C ATOM 1918 CG1 ILE A 138 30.133 -13.196 1.757 1.00 0.00 C ATOM 1919 CG2 ILE A 138 31.872 -12.312 0.180 1.00 0.00 C ATOM 1920 CD1 ILE A 138 28.816 -13.923 1.931 1.00 0.00 C ATOM 0 H ILE A 138 28.002 -12.975 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 138 29.437 -10.839 0.781 1.00 0.00 H new ATOM 0 HB ILE A 138 30.196 -13.529 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 138 30.943 -13.858 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 138 30.152 -12.338 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 138 32.507 -13.154 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 138 32.071 -12.031 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 138 32.086 -11.467 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 138 28.705 -14.231 2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 138 27.995 -13.259 1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 138 28.798 -14.803 1.288 1.00 0.00 H new ATOM 1932 N GLU A 139 30.213 -11.599 -2.354 1.00 0.00 N ATOM 1933 CA GLU A 139 30.773 -11.066 -3.580 1.00 0.00 C ATOM 1934 C GLU A 139 29.673 -10.835 -4.609 1.00 0.00 C ATOM 1935 O GLU A 139 28.649 -11.521 -4.600 1.00 0.00 O ATOM 1936 CB GLU A 139 31.854 -12.010 -4.114 1.00 0.00 C ATOM 1937 CG GLU A 139 31.355 -13.396 -4.482 1.00 0.00 C ATOM 1938 CD GLU A 139 32.478 -14.303 -4.942 1.00 0.00 C ATOM 1939 OE1 GLU A 139 32.855 -14.237 -6.129 1.00 0.00 O ATOM 1940 OE2 GLU A 139 32.994 -15.081 -4.116 1.00 0.00 O ATOM 0 H GLU A 139 29.999 -12.596 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 139 31.239 -10.102 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 139 32.312 -11.557 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 139 32.637 -12.108 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 139 30.859 -13.843 -3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 139 30.609 -13.314 -5.272 1.00 0.00 H new ATOM 1947 N SER A 140 29.877 -9.854 -5.476 1.00 0.00 N ATOM 1948 CA SER A 140 28.868 -9.471 -6.450 1.00 0.00 C ATOM 1949 C SER A 140 28.805 -10.465 -7.607 1.00 0.00 C ATOM 1950 O SER A 140 29.573 -10.371 -8.566 1.00 0.00 O ATOM 1951 CB SER A 140 29.155 -8.063 -6.971 1.00 0.00 C ATOM 1952 OG SER A 140 29.148 -7.122 -5.907 1.00 0.00 O ATOM 0 H SER A 140 30.737 -9.307 -5.524 1.00 0.00 H new ATOM 0 HA SER A 140 27.897 -9.479 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 140 30.123 -8.046 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 140 28.407 -7.785 -7.713 1.00 0.00 H new ATOM 0 HG SER A 140 29.335 -6.227 -6.260 1.00 0.00 H new ATOM 1958 N ILE A 141 27.898 -11.422 -7.498 1.00 0.00 N ATOM 1959 CA ILE A 141 27.669 -12.392 -8.556 1.00 0.00 C ATOM 1960 C ILE A 141 26.391 -12.039 -9.301 1.00 0.00 C ATOM 1961 O ILE A 141 25.305 -12.128 -8.689 1.00 0.00 O ATOM 1962 CB ILE A 141 27.559 -13.834 -8.007 1.00 0.00 C ATOM 1963 CG1 ILE A 141 28.841 -14.232 -7.268 1.00 0.00 C ATOM 1964 CG2 ILE A 141 27.267 -14.818 -9.134 1.00 0.00 C ATOM 1965 CD1 ILE A 141 30.079 -14.243 -8.141 1.00 0.00 C ATOM 1966 OXT ILE A 141 26.475 -11.659 -10.484 1.00 0.00 O ATOM 0 H ILE A 141 27.303 -11.548 -6.679 1.00 0.00 H new ATOM 0 HA ILE A 141 28.525 -12.355 -9.229 1.00 0.00 H new ATOM 0 HB ILE A 141 26.731 -13.865 -7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 141 29.000 -13.542 -6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 141 28.706 -15.223 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 141 27.193 -15.826 -8.727 1.00 0.00 H new ATOM 0 HG22 ILE A 141 26.326 -14.551 -9.615 1.00 0.00 H new ATOM 0 HG23 ILE A 141 28.073 -14.781 -9.867 1.00 0.00 H new ATOM 0 HD11 ILE A 141 30.943 -14.535 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 141 29.944 -14.955 -8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 141 30.242 -13.247 -8.553 1.00 0.00 H new TER 1978 ILE A 141