USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 849 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 91 ASN :FLIP amide:sc= -0.545 F(o=-2.2!,f=-0.92) USER MOD Set 1.2: A 94 ASN : amide:sc= -0.374 X(o=-0.92,f=-0.99) USER MOD Set 2.1: A 6 GLN :FLIP amide:sc= 0.149 F(o=-0.83,f=0.26) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.115 K(o=0.26,f=-0.3) USER MOD Set 2.3: A 69 LYS NZ :NH3+ 165:sc=0.000652 (180deg=0) USER MOD Single : A 1 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.31) USER MOD Single : A 1 GLN N :NH3+ -136:sc= -0.975 (180deg=-3.37!) USER MOD Single : A 3 GLN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.66! C(o=-1.7!,f=-1.9!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -2.66 F(o=-4.8!,f=-2.7) USER MOD Single : A 19 GLN : amide:sc= -0.824 K(o=-0.82,f=-3.1) USER MOD Single : A 20 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.6) USER MOD Single : A 24 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.22) USER MOD Single : A 25 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.9) USER MOD Single : A 29 SER OG : rot -140:sc= -2.36! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1.9) USER MOD Single : A 35 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.6!) USER MOD Single : A 39 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.15) USER MOD Single : A 40 GLN : amide:sc= -0.873 X(o=-0.87,f=-0.45) USER MOD Single : A 43 SER OG : rot 180:sc= 0.03 USER MOD Single : A 47 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 178:sc= 0.403 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 57 GLN : amide:sc= -2.47 X(o=-2.5,f=-2.7) USER MOD Single : A 63 THR OG1 : rot -110:sc= -0.977 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -34:sc= 0.509 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= -2.26 K(o=-2.3,f=-4.3!) USER MOD Single : A 81 GLN : amide:sc= -5.57! C(o=-5.6!,f=-13!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 147:sc= -1.44! (180deg=-2.29!) USER MOD Single : A 97 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.011) USER MOD Single : A 98 MET CE :methyl 150:sc= -1.34 (180deg=-4.11!) USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= -0.981 (180deg=-1.03) USER MOD Single : A 100 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.077) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.791 -17.093 5.933 1.00 0.00 N ATOM 2 CA GLN A 1 2.809 -16.724 4.501 1.00 0.00 C ATOM 3 C GLN A 1 1.420 -16.773 3.873 1.00 0.00 C ATOM 4 O GLN A 1 1.096 -15.805 3.222 1.00 0.00 O ATOM 5 CB GLN A 1 3.737 -17.613 3.670 1.00 0.00 C ATOM 6 CG GLN A 1 5.175 -17.104 3.691 1.00 0.00 C ATOM 7 CD GLN A 1 6.101 -18.060 4.413 1.00 0.00 C ATOM 8 OE1 GLN A 1 6.011 -19.271 4.326 1.00 0.00 O ATOM 9 NE2 GLN A 1 6.937 -17.555 5.277 1.00 0.00 N ATOM 0 H1 GLN A 1 3.386 -16.430 6.470 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.815 -17.050 6.290 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.159 -18.059 6.047 1.00 0.00 H new ATOM 0 HA GLN A 1 3.184 -15.701 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.706 -18.632 4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.379 -17.651 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 1 5.525 -16.962 2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 1 5.208 -16.129 4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 1 7.029 -16.543 5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.499 -18.172 5.863 1.00 0.00 H new ATOM 20 N PRO A 2 0.583 -17.823 4.042 1.00 0.00 N ATOM 21 CA PRO A 2 -0.760 -17.873 3.448 1.00 0.00 C ATOM 22 C PRO A 2 -1.758 -16.913 4.111 1.00 0.00 C ATOM 23 O PRO A 2 -1.375 -16.007 4.824 1.00 0.00 O ATOM 24 CB PRO A 2 -1.176 -19.350 3.500 1.00 0.00 C ATOM 25 CG PRO A 2 -0.264 -20.011 4.517 1.00 0.00 C ATOM 26 CD PRO A 2 0.865 -19.033 4.775 1.00 0.00 C ATOM 0 HA PRO A 2 -0.752 -17.515 2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.221 -19.450 3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.072 -19.818 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.804 -20.233 5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.121 -20.957 4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.950 -18.822 5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.817 -19.458 4.457 1.00 0.00 H new ATOM 34 N GLN A 3 -3.063 -17.158 4.039 1.00 0.00 N ATOM 35 CA GLN A 3 -4.055 -16.384 4.822 1.00 0.00 C ATOM 36 C GLN A 3 -3.778 -16.343 6.327 1.00 0.00 C ATOM 37 O GLN A 3 -4.135 -15.406 7.020 1.00 0.00 O ATOM 38 CB GLN A 3 -5.425 -17.026 4.621 1.00 0.00 C ATOM 39 CG GLN A 3 -6.512 -15.973 4.384 1.00 0.00 C ATOM 40 CD GLN A 3 -7.069 -16.109 2.980 1.00 0.00 C ATOM 41 OE1 GLN A 3 -6.926 -15.238 2.141 1.00 0.00 O ATOM 42 NE2 GLN A 3 -7.681 -17.235 2.686 1.00 0.00 N ATOM 0 H GLN A 3 -3.471 -17.884 3.450 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.002 -15.357 4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.387 -17.708 3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.680 -17.622 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.312 -16.093 5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.099 -14.974 4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.793 -17.956 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.043 -17.388 1.745 1.00 0.00 H new ATOM 51 N LYS A 4 -3.086 -17.346 6.868 1.00 0.00 N ATOM 52 CA LYS A 4 -2.592 -17.301 8.253 1.00 0.00 C ATOM 53 C LYS A 4 -1.543 -16.212 8.504 1.00 0.00 C ATOM 54 O LYS A 4 -1.240 -15.915 9.651 1.00 0.00 O ATOM 55 CB LYS A 4 -2.083 -18.701 8.634 1.00 0.00 C ATOM 56 CG LYS A 4 -2.708 -19.170 9.957 1.00 0.00 C ATOM 57 CD LYS A 4 -1.785 -18.861 11.141 1.00 0.00 C ATOM 58 CE LYS A 4 -2.504 -19.101 12.464 1.00 0.00 C ATOM 59 NZ LYS A 4 -1.664 -18.627 13.597 1.00 0.00 N ATOM 0 H LYS A 4 -2.852 -18.205 6.370 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.422 -17.019 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.326 -19.409 7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.997 -18.685 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.670 -18.678 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.901 -20.242 9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.894 -19.487 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.450 -17.825 11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.460 -18.578 12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.721 -20.163 12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.163 -18.795 14.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.762 -19.145 13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.479 -17.609 13.490 1.00 0.00 H new ATOM 73 N CYS A 5 -1.014 -15.611 7.445 1.00 0.00 N ATOM 74 CA CYS A 5 -0.181 -14.417 7.441 1.00 0.00 C ATOM 75 C CYS A 5 -1.011 -13.158 7.521 1.00 0.00 C ATOM 76 O CYS A 5 -0.522 -12.228 8.108 1.00 0.00 O ATOM 77 CB CYS A 5 0.671 -14.310 6.185 1.00 0.00 C ATOM 78 SG CYS A 5 0.053 -13.184 4.896 1.00 0.00 S ATOM 0 H CYS A 5 -1.167 -15.970 6.503 1.00 0.00 H new ATOM 0 HA CYS A 5 0.459 -14.513 8.318 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.671 -13.985 6.474 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.772 -15.305 5.752 1.00 0.00 H new ATOM 83 N GLN A 6 -2.256 -13.088 7.043 1.00 0.00 N ATOM 84 CA GLN A 6 -3.053 -11.847 7.150 1.00 0.00 C ATOM 85 C GLN A 6 -3.067 -11.248 8.544 1.00 0.00 C ATOM 86 O GLN A 6 -3.182 -10.036 8.704 1.00 0.00 O ATOM 87 CB GLN A 6 -4.495 -12.146 6.705 1.00 0.00 C ATOM 88 CG GLN A 6 -4.908 -11.463 5.408 1.00 0.00 C ATOM 89 CD GLN A 6 -6.027 -10.467 5.660 1.00 0.00 C ATOM 90 OE1 GLN A 6 -5.701 -9.222 5.898 1.00 0.00 O flip ATOM 91 NE2 GLN A 6 -7.206 -10.771 5.689 1.00 0.00 N flip ATOM 0 H GLN A 6 -2.736 -13.861 6.582 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.581 -11.107 6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.610 -13.223 6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.178 -11.838 7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.050 -10.951 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.235 -12.211 4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.489 -11.734 5.507 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.910 -10.063 5.895 1.00 0.00 H new ATOM 100 N ARG A 7 -2.920 -12.115 9.545 1.00 0.00 N ATOM 101 CA ARG A 7 -2.695 -11.762 10.935 1.00 0.00 C ATOM 102 C ARG A 7 -1.235 -11.562 11.290 1.00 0.00 C ATOM 103 O ARG A 7 -0.970 -10.561 11.917 1.00 0.00 O ATOM 104 CB ARG A 7 -3.321 -12.827 11.831 1.00 0.00 C ATOM 105 CG ARG A 7 -4.253 -12.126 12.804 1.00 0.00 C ATOM 106 CD ARG A 7 -5.197 -13.149 13.437 1.00 0.00 C ATOM 107 NE ARG A 7 -5.436 -12.854 14.855 1.00 0.00 N ATOM 108 CZ ARG A 7 -6.034 -11.783 15.339 1.00 0.00 C ATOM 109 NH1 ARG A 7 -6.525 -10.863 14.555 1.00 0.00 N ATOM 110 NH2 ARG A 7 -6.127 -11.607 16.622 1.00 0.00 N ATOM 0 H ARG A 7 -2.957 -13.124 9.397 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.171 -10.795 11.098 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.870 -13.555 11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.548 -13.375 12.370 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.675 -11.622 13.578 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.827 -11.359 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.145 -13.152 12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.772 -14.148 13.339 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.108 -13.544 15.531 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.451 -10.963 13.543 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.983 -10.044 14.954 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.736 -12.299 17.261 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.591 -10.777 16.991 1.00 0.00 H new ATOM 124 N GLU A 8 -0.331 -12.461 10.906 1.00 0.00 N ATOM 125 CA GLU A 8 1.136 -12.346 11.118 1.00 0.00 C ATOM 126 C GLU A 8 1.764 -11.101 10.479 1.00 0.00 C ATOM 127 O GLU A 8 2.645 -10.475 11.049 1.00 0.00 O ATOM 128 CB GLU A 8 1.812 -13.641 10.652 1.00 0.00 C ATOM 129 CG GLU A 8 2.403 -14.405 11.837 1.00 0.00 C ATOM 130 CD GLU A 8 3.890 -14.139 11.953 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.212 -13.156 12.646 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.628 -14.969 11.380 1.00 0.00 O ATOM 0 H GLU A 8 -0.593 -13.320 10.423 1.00 0.00 H new ATOM 0 HA GLU A 8 1.305 -12.210 12.186 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.087 -14.269 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.600 -13.407 9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.901 -14.105 12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.228 -15.474 11.712 1.00 0.00 H new ATOM 139 N PHE A 9 1.181 -10.651 9.372 1.00 0.00 N ATOM 140 CA PHE A 9 1.531 -9.463 8.607 1.00 0.00 C ATOM 141 C PHE A 9 1.170 -8.260 9.439 1.00 0.00 C ATOM 142 O PHE A 9 1.903 -7.292 9.502 1.00 0.00 O ATOM 143 CB PHE A 9 0.719 -9.480 7.291 1.00 0.00 C ATOM 144 CG PHE A 9 0.457 -8.123 6.669 1.00 0.00 C ATOM 145 CD1 PHE A 9 -0.508 -7.247 7.213 1.00 0.00 C ATOM 146 CD2 PHE A 9 1.153 -7.735 5.519 1.00 0.00 C ATOM 147 CE1 PHE A 9 -0.629 -5.948 6.741 1.00 0.00 C ATOM 148 CE2 PHE A 9 0.923 -6.494 4.956 1.00 0.00 C ATOM 149 CZ PHE A 9 0.078 -5.574 5.598 1.00 0.00 C ATOM 0 H PHE A 9 0.392 -11.146 8.957 1.00 0.00 H new ATOM 0 HA PHE A 9 2.594 -9.433 8.367 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.249 -10.097 6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.239 -9.964 7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.158 -7.592 8.004 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.871 -8.406 5.071 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.261 -5.237 7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.394 -6.231 4.020 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.025 -4.573 5.205 1.00 0.00 H new ATOM 159 N GLN A 10 0.004 -8.270 10.091 1.00 0.00 N ATOM 160 CA GLN A 10 -0.444 -7.119 10.869 1.00 0.00 C ATOM 161 C GLN A 10 -0.110 -7.255 12.345 1.00 0.00 C ATOM 162 O GLN A 10 -0.350 -6.316 13.106 1.00 0.00 O ATOM 163 CB GLN A 10 -1.945 -6.893 10.715 1.00 0.00 C ATOM 164 CG GLN A 10 -2.216 -5.413 10.410 1.00 0.00 C ATOM 165 CD GLN A 10 -3.406 -4.849 11.178 1.00 0.00 C ATOM 166 OE1 GLN A 10 -4.381 -5.510 11.484 1.00 0.00 O ATOM 167 NE2 GLN A 10 -3.416 -3.563 11.421 1.00 0.00 N ATOM 0 H GLN A 10 -0.642 -9.060 10.094 1.00 0.00 H new ATOM 0 HA GLN A 10 0.095 -6.259 10.471 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.336 -7.517 9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.463 -7.187 11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.327 -4.830 10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.393 -5.296 9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.609 -2.991 11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.231 -3.133 11.859 1.00 0.00 H new ATOM 176 N GLN A 11 0.450 -8.392 12.740 1.00 0.00 N ATOM 177 CA GLN A 11 0.841 -8.685 14.102 1.00 0.00 C ATOM 178 C GLN A 11 1.865 -7.646 14.526 1.00 0.00 C ATOM 179 O GLN A 11 1.597 -6.779 15.352 1.00 0.00 O ATOM 180 CB GLN A 11 1.360 -10.133 14.176 1.00 0.00 C ATOM 181 CG GLN A 11 0.826 -10.862 15.408 1.00 0.00 C ATOM 182 CD GLN A 11 1.917 -11.298 16.356 1.00 0.00 C ATOM 183 OE1 GLN A 11 1.965 -10.832 17.475 1.00 0.00 O ATOM 184 NE2 GLN A 11 2.734 -12.250 15.968 1.00 0.00 N ATOM 0 H GLN A 11 0.648 -9.157 12.095 1.00 0.00 H new ATOM 0 HA GLN A 11 0.003 -8.624 14.797 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.063 -10.673 13.277 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.450 -10.128 14.200 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.132 -10.209 15.937 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.259 -11.737 15.088 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.670 -12.622 15.021 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.433 -12.617 16.614 1.00 0.00 H new ATOM 193 N GLU A 12 2.979 -7.614 13.803 1.00 0.00 N ATOM 194 CA GLU A 12 4.138 -6.787 14.149 1.00 0.00 C ATOM 195 C GLU A 12 5.110 -6.666 12.973 1.00 0.00 C ATOM 196 O GLU A 12 6.279 -6.327 13.130 1.00 0.00 O ATOM 197 CB GLU A 12 4.782 -7.284 15.460 1.00 0.00 C ATOM 198 CG GLU A 12 4.776 -8.807 15.679 1.00 0.00 C ATOM 199 CD GLU A 12 5.519 -9.184 16.973 1.00 0.00 C ATOM 200 OE1 GLU A 12 6.657 -8.692 17.148 1.00 0.00 O ATOM 201 OE2 GLU A 12 4.941 -9.939 17.784 1.00 0.00 O ATOM 0 H GLU A 12 3.108 -8.164 12.954 1.00 0.00 H new ATOM 0 HA GLU A 12 3.808 -5.767 14.345 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.815 -6.937 15.489 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.265 -6.814 16.297 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.748 -9.166 15.728 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.246 -9.302 14.829 1.00 0.00 H new ATOM 208 N GLN A 13 4.602 -6.849 11.752 1.00 0.00 N ATOM 209 CA GLN A 13 5.426 -6.813 10.557 1.00 0.00 C ATOM 210 C GLN A 13 4.662 -6.299 9.346 1.00 0.00 C ATOM 211 O GLN A 13 4.690 -6.853 8.267 1.00 0.00 O ATOM 212 CB GLN A 13 6.080 -8.189 10.339 1.00 0.00 C ATOM 213 CG GLN A 13 7.561 -7.975 10.010 1.00 0.00 C ATOM 214 CD GLN A 13 8.146 -9.031 9.092 1.00 0.00 C ATOM 215 OE1 GLN A 13 7.595 -9.479 8.106 1.00 0.00 O ATOM 216 NE2 GLN A 13 9.371 -9.419 9.318 1.00 0.00 N ATOM 0 H GLN A 13 3.614 -7.025 11.572 1.00 0.00 H new ATOM 0 HA GLN A 13 6.229 -6.090 10.700 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.975 -8.804 11.233 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.584 -8.720 9.526 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.682 -6.996 9.545 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.131 -7.959 10.939 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.874 -9.070 10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.825 -10.072 8.679 1.00 0.00 H new ATOM 225 N HIS A 14 3.945 -5.197 9.547 1.00 0.00 N ATOM 226 CA HIS A 14 3.082 -4.628 8.520 1.00 0.00 C ATOM 227 C HIS A 14 3.979 -3.962 7.476 1.00 0.00 C ATOM 228 O HIS A 14 5.201 -4.103 7.463 1.00 0.00 O ATOM 229 CB HIS A 14 2.014 -3.679 9.113 1.00 0.00 C ATOM 230 CG HIS A 14 1.759 -3.756 10.605 1.00 0.00 C ATOM 231 ND1 HIS A 14 1.887 -4.843 11.415 1.00 0.00 N flip ATOM 232 CD2 HIS A 14 1.422 -2.685 11.402 1.00 0.00 C flip ATOM 233 CE1 HIS A 14 1.603 -4.447 12.705 1.00 0.00 C flip ATOM 234 NE2 HIS A 14 1.319 -3.138 12.678 1.00 0.00 N flip ATOM 0 H HIS A 14 3.947 -4.676 10.424 1.00 0.00 H new ATOM 0 HA HIS A 14 2.500 -5.413 8.037 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.304 -2.656 8.874 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.071 -3.872 8.601 1.00 0.00 H new ATOM 0 HD1 HIS A 14 2.147 -5.784 11.120 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.267 -1.668 11.072 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.609 -5.079 13.581 1.00 0.00 H new ATOM 243 N LEU A 15 3.392 -3.100 6.663 1.00 0.00 N ATOM 244 CA LEU A 15 4.137 -2.394 5.643 1.00 0.00 C ATOM 245 C LEU A 15 4.258 -0.942 6.049 1.00 0.00 C ATOM 246 O LEU A 15 3.699 -0.479 7.044 1.00 0.00 O ATOM 247 CB LEU A 15 3.539 -2.689 4.257 1.00 0.00 C ATOM 248 CG LEU A 15 3.033 -4.130 4.060 1.00 0.00 C ATOM 249 CD1 LEU A 15 2.653 -4.370 2.605 1.00 0.00 C ATOM 250 CD2 LEU A 15 3.957 -5.246 4.579 1.00 0.00 C ATOM 0 H LEU A 15 2.398 -2.874 6.693 1.00 0.00 H new ATOM 0 HA LEU A 15 5.165 -2.744 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.711 -2.002 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.294 -2.478 3.500 1.00 0.00 H new ATOM 0 HG LEU A 15 2.151 -4.199 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.298 -5.394 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.864 -3.676 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.525 -4.212 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.499 -6.216 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.918 -5.190 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.109 -5.123 5.651 1.00 0.00 H new ATOM 262 N ARG A 16 5.069 -0.220 5.303 1.00 0.00 N ATOM 263 CA ARG A 16 5.309 1.201 5.465 1.00 0.00 C ATOM 264 C ARG A 16 5.502 1.772 4.104 1.00 0.00 C ATOM 265 O ARG A 16 4.519 2.271 3.597 1.00 0.00 O ATOM 266 CB ARG A 16 6.494 1.485 6.370 1.00 0.00 C ATOM 267 CG ARG A 16 6.216 0.963 7.769 1.00 0.00 C ATOM 268 CD ARG A 16 7.340 1.425 8.668 1.00 0.00 C ATOM 269 NE ARG A 16 7.120 0.939 10.033 1.00 0.00 N ATOM 270 CZ ARG A 16 8.016 0.918 10.995 1.00 0.00 C ATOM 271 NH1 ARG A 16 9.228 1.344 10.788 1.00 0.00 N ATOM 272 NH2 ARG A 16 7.715 0.467 12.182 1.00 0.00 N ATOM 0 H ARG A 16 5.602 -0.625 4.533 1.00 0.00 H new ATOM 0 HA ARG A 16 4.456 1.669 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.390 1.013 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.687 2.557 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.259 1.336 8.132 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.153 -0.125 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.294 1.056 8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.396 2.514 8.665 1.00 0.00 H new ATOM 0 HE ARG A 16 6.190 0.586 10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.494 1.700 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.912 1.322 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.774 0.124 12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.421 0.457 12.918 1.00 0.00 H new ATOM 286 N ALA A 17 6.700 1.736 3.528 1.00 0.00 N ATOM 287 CA ALA A 17 6.998 2.267 2.200 1.00 0.00 C ATOM 288 C ALA A 17 5.822 2.096 1.243 1.00 0.00 C ATOM 289 O ALA A 17 5.359 3.089 0.721 1.00 0.00 O ATOM 290 CB ALA A 17 8.283 1.635 1.656 1.00 0.00 C ATOM 0 H ALA A 17 7.514 1.325 3.985 1.00 0.00 H new ATOM 0 HA ALA A 17 7.162 3.341 2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.496 2.038 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.112 1.862 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.157 0.554 1.589 1.00 0.00 H new ATOM 296 N CYS A 18 5.240 0.910 1.086 1.00 0.00 N ATOM 297 CA CYS A 18 4.058 0.643 0.259 1.00 0.00 C ATOM 298 C CYS A 18 2.884 1.510 0.636 1.00 0.00 C ATOM 299 O CYS A 18 2.377 2.257 -0.187 1.00 0.00 O ATOM 300 CB CYS A 18 3.718 -0.842 0.314 1.00 0.00 C ATOM 301 SG CYS A 18 3.725 -1.672 -1.292 1.00 0.00 S ATOM 0 H CYS A 18 5.591 0.072 1.549 1.00 0.00 H new ATOM 0 HA CYS A 18 4.296 0.906 -0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.431 -1.341 0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.733 -0.960 0.766 1.00 0.00 H new ATOM 306 N GLN A 19 2.496 1.439 1.893 1.00 0.00 N ATOM 307 CA GLN A 19 1.514 2.311 2.497 1.00 0.00 C ATOM 308 C GLN A 19 2.062 3.654 2.992 1.00 0.00 C ATOM 309 O GLN A 19 1.603 4.213 3.988 1.00 0.00 O ATOM 310 CB GLN A 19 0.798 1.513 3.578 1.00 0.00 C ATOM 311 CG GLN A 19 1.701 0.767 4.561 1.00 0.00 C ATOM 312 CD GLN A 19 1.125 0.664 5.966 1.00 0.00 C ATOM 313 OE1 GLN A 19 0.923 -0.397 6.537 1.00 0.00 O ATOM 314 NE2 GLN A 19 0.866 1.792 6.581 1.00 0.00 N ATOM 0 H GLN A 19 2.870 0.748 2.543 1.00 0.00 H new ATOM 0 HA GLN A 19 0.807 2.624 1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.161 2.193 4.143 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.142 0.789 3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.886 -0.237 4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.665 1.273 4.610 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.033 2.680 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.498 1.781 7.532 1.00 0.00 H new ATOM 323 N GLN A 20 3.072 4.190 2.311 1.00 0.00 N ATOM 324 CA GLN A 20 3.742 5.430 2.688 1.00 0.00 C ATOM 325 C GLN A 20 4.148 6.254 1.486 1.00 0.00 C ATOM 326 O GLN A 20 3.874 7.437 1.428 1.00 0.00 O ATOM 327 CB GLN A 20 4.987 5.207 3.559 1.00 0.00 C ATOM 328 CG GLN A 20 4.700 4.796 5.014 1.00 0.00 C ATOM 329 CD GLN A 20 4.945 5.862 6.034 1.00 0.00 C ATOM 330 OE1 GLN A 20 6.018 6.425 6.136 1.00 0.00 O ATOM 331 NE2 GLN A 20 3.963 6.167 6.849 1.00 0.00 N ATOM 0 H GLN A 20 3.454 3.766 1.466 1.00 0.00 H new ATOM 0 HA GLN A 20 2.997 5.971 3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.603 4.437 3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.576 6.124 3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.660 4.477 5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.317 3.931 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.063 5.694 6.763 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.099 6.877 7.569 1.00 0.00 H new ATOM 340 N TRP A 21 4.744 5.669 0.467 1.00 0.00 N ATOM 341 CA TRP A 21 4.988 6.352 -0.800 1.00 0.00 C ATOM 342 C TRP A 21 3.708 6.998 -1.328 1.00 0.00 C ATOM 343 O TRP A 21 3.752 8.053 -1.946 1.00 0.00 O ATOM 344 CB TRP A 21 5.590 5.355 -1.787 1.00 0.00 C ATOM 345 CG TRP A 21 4.687 4.368 -2.410 1.00 0.00 C ATOM 346 CD1 TRP A 21 4.658 3.047 -2.145 1.00 0.00 C ATOM 347 CD2 TRP A 21 3.703 4.594 -3.432 1.00 0.00 C ATOM 348 NE1 TRP A 21 3.629 2.455 -2.851 1.00 0.00 N ATOM 349 CE2 TRP A 21 3.013 3.368 -3.667 1.00 0.00 C ATOM 350 CE3 TRP A 21 3.307 5.727 -4.154 1.00 0.00 C ATOM 351 CZ2 TRP A 21 1.955 3.295 -4.571 1.00 0.00 C ATOM 352 CZ3 TRP A 21 2.249 5.660 -5.070 1.00 0.00 C ATOM 353 CH2 TRP A 21 1.604 4.428 -5.310 1.00 0.00 C ATOM 0 H TRP A 21 5.076 4.705 0.488 1.00 0.00 H new ATOM 0 HA TRP A 21 5.699 7.165 -0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 21 6.067 5.922 -2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 21 6.378 4.807 -1.270 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.336 2.530 -1.482 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.364 1.473 -2.776 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.823 6.663 -4.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 1.411 2.371 -4.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 1.928 6.550 -5.591 1.00 0.00 H new ATOM 0 HH2 TRP A 21 0.837 4.361 -6.067 1.00 0.00 H new ATOM 364 N ILE A 22 2.551 6.430 -0.989 1.00 0.00 N ATOM 365 CA ILE A 22 1.233 6.947 -1.363 1.00 0.00 C ATOM 366 C ILE A 22 0.978 8.319 -0.733 1.00 0.00 C ATOM 367 O ILE A 22 0.370 9.191 -1.346 1.00 0.00 O ATOM 368 CB ILE A 22 0.118 5.964 -0.945 1.00 0.00 C ATOM 369 CG1 ILE A 22 0.565 4.487 -1.028 1.00 0.00 C ATOM 370 CG2 ILE A 22 -1.090 6.258 -1.835 1.00 0.00 C ATOM 371 CD1 ILE A 22 -0.528 3.439 -1.255 1.00 0.00 C ATOM 0 H ILE A 22 2.502 5.576 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 22 1.220 7.055 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.138 6.111 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.292 4.398 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.085 4.238 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.906 5.584 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.409 7.290 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.817 6.110 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.078 2.447 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.247 3.480 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.037 3.643 -2.197 1.00 0.00 H new ATOM 383 N ARG A 23 1.469 8.533 0.492 1.00 0.00 N ATOM 384 CA ARG A 23 1.496 9.838 1.162 1.00 0.00 C ATOM 385 C ARG A 23 2.637 10.734 0.693 1.00 0.00 C ATOM 386 O ARG A 23 2.608 11.924 0.960 1.00 0.00 O ATOM 387 CB ARG A 23 1.591 9.647 2.671 1.00 0.00 C ATOM 388 CG ARG A 23 3.030 9.513 3.200 1.00 0.00 C ATOM 389 CD ARG A 23 3.246 8.339 4.130 1.00 0.00 C ATOM 390 NE ARG A 23 3.671 8.770 5.442 1.00 0.00 N ATOM 391 CZ ARG A 23 4.925 9.028 5.763 1.00 0.00 C ATOM 392 NH1 ARG A 23 5.917 9.038 4.895 1.00 0.00 N ATOM 393 NH2 ARG A 23 5.172 9.317 7.000 1.00 0.00 N ATOM 0 H ARG A 23 1.869 7.785 1.059 1.00 0.00 H new ATOM 0 HA ARG A 23 0.565 10.340 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.112 10.493 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.029 8.756 2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.709 9.419 2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.299 10.430 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.322 7.768 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.995 7.671 3.705 1.00 0.00 H new ATOM 0 HE ARG A 23 2.959 8.882 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.736 8.839 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.866 9.245 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.412 9.338 7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.126 9.524 7.295 1.00 0.00 H new ATOM 407 N GLN A 24 3.679 10.175 0.074 1.00 0.00 N ATOM 408 CA GLN A 24 4.801 10.950 -0.445 1.00 0.00 C ATOM 409 C GLN A 24 4.364 11.826 -1.624 1.00 0.00 C ATOM 410 O GLN A 24 5.046 12.782 -1.948 1.00 0.00 O ATOM 411 CB GLN A 24 5.963 10.022 -0.816 1.00 0.00 C ATOM 412 CG GLN A 24 7.272 10.793 -1.094 1.00 0.00 C ATOM 413 CD GLN A 24 7.480 11.105 -2.571 1.00 0.00 C ATOM 414 OE1 GLN A 24 7.801 12.195 -2.998 1.00 0.00 O ATOM 415 NE2 GLN A 24 7.350 10.119 -3.423 1.00 0.00 N ATOM 0 H GLN A 24 3.766 9.170 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 24 5.154 11.623 0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.129 9.312 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.693 9.442 -1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.264 11.725 -0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.116 10.207 -0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.081 9.192 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.517 10.278 -4.417 1.00 0.00 H new ATOM 424 N GLN A 25 3.198 11.552 -2.210 1.00 0.00 N ATOM 425 CA GLN A 25 2.597 12.426 -3.214 1.00 0.00 C ATOM 426 C GLN A 25 2.048 13.727 -2.603 1.00 0.00 C ATOM 427 O GLN A 25 1.725 14.680 -3.311 1.00 0.00 O ATOM 428 CB GLN A 25 1.540 11.578 -3.955 1.00 0.00 C ATOM 429 CG GLN A 25 0.442 12.379 -4.662 1.00 0.00 C ATOM 430 CD GLN A 25 0.969 13.300 -5.764 1.00 0.00 C ATOM 431 OE1 GLN A 25 2.129 13.340 -6.127 1.00 0.00 O ATOM 432 NE2 GLN A 25 0.110 14.052 -6.400 1.00 0.00 N ATOM 0 H GLN A 25 2.646 10.720 -2.002 1.00 0.00 H new ATOM 0 HA GLN A 25 3.340 12.782 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.048 10.957 -4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.072 10.903 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.281 11.686 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.092 12.978 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.873 14.047 -6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.422 14.644 -7.170 1.00 0.00 H new ATOM 441 N LEU A 26 1.845 13.781 -1.283 1.00 0.00 N ATOM 442 CA LEU A 26 1.237 14.934 -0.642 1.00 0.00 C ATOM 443 C LEU A 26 2.311 16.019 -0.488 1.00 0.00 C ATOM 444 O LEU A 26 3.464 15.878 -0.883 1.00 0.00 O ATOM 445 CB LEU A 26 0.586 14.493 0.682 1.00 0.00 C ATOM 446 CG LEU A 26 -0.640 13.556 0.550 1.00 0.00 C ATOM 447 CD1 LEU A 26 -1.914 14.315 0.159 1.00 0.00 C ATOM 448 CD2 LEU A 26 -0.525 12.378 -0.425 1.00 0.00 C ATOM 0 H LEU A 26 2.097 13.030 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 26 0.434 15.364 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.341 13.990 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.281 15.385 1.230 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.685 13.141 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.745 13.614 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.141 15.062 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.763 14.809 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.453 11.807 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.340 12.755 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.300 11.734 -0.121 1.00 0.00 H new ATOM 460 N ALA A 27 1.932 17.116 0.142 1.00 0.00 N ATOM 461 CA ALA A 27 2.878 18.188 0.456 1.00 0.00 C ATOM 462 C ALA A 27 3.546 18.013 1.825 1.00 0.00 C ATOM 463 O ALA A 27 4.557 18.636 2.127 1.00 0.00 O ATOM 464 CB ALA A 27 2.103 19.493 0.357 1.00 0.00 C ATOM 0 H ALA A 27 0.976 17.294 0.449 1.00 0.00 H new ATOM 0 HA ALA A 27 3.708 18.175 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.766 20.328 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.708 19.606 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.278 19.481 1.070 1.00 0.00 H new ATOM 470 N GLY A 28 2.993 17.137 2.665 1.00 0.00 N ATOM 471 CA GLY A 28 3.491 16.825 3.996 1.00 0.00 C ATOM 472 C GLY A 28 3.111 15.416 4.386 1.00 0.00 C ATOM 473 O GLY A 28 2.293 14.753 3.739 1.00 0.00 O ATOM 0 H GLY A 28 2.155 16.608 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.575 16.936 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.082 17.531 4.719 1.00 0.00 H new ATOM 477 N SER A 29 3.689 14.973 5.496 1.00 0.00 N ATOM 478 CA SER A 29 3.647 13.600 5.996 1.00 0.00 C ATOM 479 C SER A 29 4.703 13.367 7.080 1.00 0.00 C ATOM 480 O SER A 29 4.317 12.919 8.159 1.00 0.00 O ATOM 481 CB SER A 29 3.802 12.596 4.845 1.00 0.00 C ATOM 482 OG SER A 29 4.761 11.637 5.140 1.00 0.00 O ATOM 0 H SER A 29 4.227 15.591 6.104 1.00 0.00 H new ATOM 0 HA SER A 29 2.670 13.441 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.846 12.110 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.081 13.124 3.933 1.00 0.00 H new ATOM 0 HG SER A 29 5.291 11.447 4.338 1.00 0.00 H new ATOM 488 N PRO A 30 6.002 13.594 6.792 1.00 0.00 N ATOM 489 CA PRO A 30 7.047 13.391 7.777 1.00 0.00 C ATOM 490 C PRO A 30 7.023 14.526 8.788 1.00 0.00 C ATOM 491 O PRO A 30 6.592 15.637 8.493 1.00 0.00 O ATOM 492 CB PRO A 30 8.362 13.340 6.985 1.00 0.00 C ATOM 493 CG PRO A 30 8.076 13.987 5.635 1.00 0.00 C ATOM 494 CD PRO A 30 6.562 14.090 5.543 1.00 0.00 C ATOM 0 HA PRO A 30 6.918 12.471 8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.153 13.873 7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.700 12.311 6.859 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.541 14.971 5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.478 13.386 4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.260 15.123 5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.191 13.507 4.700 1.00 0.00 H new ATOM 502 N PHE A 31 7.539 14.229 9.969 1.00 0.00 N ATOM 503 CA PHE A 31 7.578 15.152 11.110 1.00 0.00 C ATOM 504 C PHE A 31 9.017 15.490 11.475 1.00 0.00 C ATOM 505 O PHE A 31 9.324 16.637 11.780 1.00 0.00 O ATOM 506 CB PHE A 31 6.836 14.544 12.308 1.00 0.00 C ATOM 507 CG PHE A 31 5.680 13.624 11.938 1.00 0.00 C ATOM 508 CD1 PHE A 31 4.421 14.162 11.604 1.00 0.00 C ATOM 509 CD2 PHE A 31 5.883 12.229 11.867 1.00 0.00 C ATOM 510 CE1 PHE A 31 3.372 13.311 11.235 1.00 0.00 C ATOM 511 CE2 PHE A 31 4.840 11.381 11.489 1.00 0.00 C ATOM 512 CZ PHE A 31 3.577 11.921 11.183 1.00 0.00 C ATOM 0 H PHE A 31 7.954 13.320 10.174 1.00 0.00 H new ATOM 0 HA PHE A 31 7.076 16.078 10.830 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.549 13.984 12.914 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.454 15.353 12.931 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.265 15.230 11.633 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.851 11.815 12.107 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.404 13.723 10.990 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.002 10.315 11.432 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.763 11.266 10.908 1.00 0.00 H new ATOM 522 N SER A 32 9.900 14.486 11.425 1.00 0.00 N ATOM 523 CA SER A 32 11.315 14.606 11.759 1.00 0.00 C ATOM 524 C SER A 32 12.013 13.277 11.509 1.00 0.00 C ATOM 525 O SER A 32 11.925 12.373 12.329 1.00 0.00 O ATOM 526 CB SER A 32 11.490 14.972 13.236 1.00 0.00 C ATOM 527 OG SER A 32 12.755 15.559 13.399 1.00 0.00 O ATOM 0 H SER A 32 9.637 13.542 11.142 1.00 0.00 H new ATOM 0 HA SER A 32 11.748 15.388 11.136 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.708 15.663 13.551 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.401 14.083 13.860 1.00 0.00 H new ATOM 0 HG SER A 32 12.884 15.802 14.340 1.00 0.00 H new ATOM 533 N GLU A 33 12.622 13.118 10.340 1.00 0.00 N ATOM 534 CA GLU A 33 13.422 11.941 10.002 1.00 0.00 C ATOM 535 C GLU A 33 14.266 12.255 8.769 1.00 0.00 C ATOM 536 O GLU A 33 14.033 13.285 8.119 1.00 0.00 O ATOM 537 CB GLU A 33 12.505 10.719 9.775 1.00 0.00 C ATOM 538 CG GLU A 33 13.276 9.401 9.924 1.00 0.00 C ATOM 539 CD GLU A 33 12.527 8.424 10.838 1.00 0.00 C ATOM 540 OE1 GLU A 33 11.544 7.815 10.362 1.00 0.00 O ATOM 541 OE2 GLU A 33 12.944 8.298 12.009 1.00 0.00 O ATOM 0 H GLU A 33 12.575 13.808 9.590 1.00 0.00 H new ATOM 0 HA GLU A 33 14.091 11.692 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.682 10.743 10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.065 10.773 8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.421 8.948 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 33 14.267 9.600 10.333 1.00 0.00 H new ATOM 548 N ASN A 34 15.230 11.377 8.441 1.00 0.00 N ATOM 549 CA ASN A 34 16.034 11.452 7.218 1.00 0.00 C ATOM 550 C ASN A 34 15.138 11.815 6.047 1.00 0.00 C ATOM 551 O ASN A 34 14.056 11.244 5.944 1.00 0.00 O ATOM 552 CB ASN A 34 16.708 10.100 6.910 1.00 0.00 C ATOM 553 CG ASN A 34 17.675 10.192 5.738 1.00 0.00 C ATOM 554 OD1 ASN A 34 18.081 11.254 5.297 1.00 0.00 O ATOM 555 ND2 ASN A 34 18.075 9.072 5.195 1.00 0.00 N ATOM 0 H ASN A 34 15.473 10.582 9.032 1.00 0.00 H new ATOM 0 HA ASN A 34 16.804 12.209 7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.243 9.753 7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 34 15.942 9.356 6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 34 18.723 9.090 4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 34 17.739 8.180 5.559 1.00 0.00 H new ATOM 562 N GLN A 35 15.590 12.728 5.185 1.00 0.00 N ATOM 563 CA GLN A 35 14.859 13.209 4.020 1.00 0.00 C ATOM 564 C GLN A 35 14.097 12.098 3.301 1.00 0.00 C ATOM 565 O GLN A 35 14.616 11.443 2.407 1.00 0.00 O ATOM 566 CB GLN A 35 15.824 13.931 3.055 1.00 0.00 C ATOM 567 CG GLN A 35 15.395 15.368 2.741 1.00 0.00 C ATOM 568 CD GLN A 35 16.293 16.436 3.347 1.00 0.00 C ATOM 569 OE1 GLN A 35 17.405 16.223 3.786 1.00 0.00 O ATOM 570 NE2 GLN A 35 15.835 17.661 3.378 1.00 0.00 N ATOM 0 H GLN A 35 16.506 13.165 5.286 1.00 0.00 H new ATOM 0 HA GLN A 35 14.108 13.915 4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.823 13.943 3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.889 13.366 2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.372 15.500 1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.377 15.518 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.904 17.867 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.409 18.410 3.765 1.00 0.00 H new ATOM 579 N TRP A 36 12.821 11.936 3.648 1.00 0.00 N ATOM 580 CA TRP A 36 11.945 10.869 3.139 1.00 0.00 C ATOM 581 C TRP A 36 10.930 11.437 2.151 1.00 0.00 C ATOM 582 O TRP A 36 9.812 10.945 2.011 1.00 0.00 O ATOM 583 CB TRP A 36 11.325 10.051 4.286 1.00 0.00 C ATOM 584 CG TRP A 36 11.472 8.568 4.132 1.00 0.00 C ATOM 585 CD1 TRP A 36 10.910 7.802 3.164 1.00 0.00 C ATOM 586 CD2 TRP A 36 12.280 7.670 4.943 1.00 0.00 C ATOM 587 NE1 TRP A 36 11.302 6.479 3.342 1.00 0.00 N ATOM 588 CE2 TRP A 36 12.141 6.342 4.429 1.00 0.00 C ATOM 589 CE3 TRP A 36 13.107 7.848 6.065 1.00 0.00 C ATOM 590 CZ2 TRP A 36 12.790 5.247 5.024 1.00 0.00 C ATOM 591 CZ3 TRP A 36 13.760 6.758 6.674 1.00 0.00 C ATOM 592 CH2 TRP A 36 13.603 5.456 6.158 1.00 0.00 C ATOM 0 H TRP A 36 12.351 12.556 4.307 1.00 0.00 H new ATOM 0 HA TRP A 36 12.544 10.152 2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 36 11.787 10.355 5.225 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.265 10.294 4.359 1.00 0.00 H new ATOM 0 HD1 TRP A 36 10.261 8.162 2.379 1.00 0.00 H new ATOM 0 HE1 TRP A 36 11.006 5.707 2.744 1.00 0.00 H new ATOM 0 HE3 TRP A 36 13.245 8.840 6.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 12.668 4.254 4.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 14.384 6.921 7.540 1.00 0.00 H new ATOM 0 HH2 TRP A 36 14.103 4.622 6.628 1.00 0.00 H new ATOM 603 N GLY A 37 11.319 12.550 1.530 1.00 0.00 N ATOM 604 CA GLY A 37 10.489 13.331 0.633 1.00 0.00 C ATOM 605 C GLY A 37 11.093 13.363 -0.765 1.00 0.00 C ATOM 606 O GLY A 37 10.717 12.524 -1.561 1.00 0.00 O ATOM 0 H GLY A 37 12.254 12.940 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.487 12.904 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.388 14.347 1.015 1.00 0.00 H new ATOM 610 N PRO A 38 12.053 14.249 -1.065 1.00 0.00 N ATOM 611 CA PRO A 38 12.689 14.297 -2.382 1.00 0.00 C ATOM 612 C PRO A 38 13.746 13.213 -2.563 1.00 0.00 C ATOM 613 O PRO A 38 13.656 12.418 -3.490 1.00 0.00 O ATOM 614 CB PRO A 38 13.291 15.703 -2.477 1.00 0.00 C ATOM 615 CG PRO A 38 13.401 16.207 -1.037 1.00 0.00 C ATOM 616 CD PRO A 38 12.540 15.279 -0.184 1.00 0.00 C ATOM 0 HA PRO A 38 11.969 14.105 -3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.269 15.678 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.658 16.360 -3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.437 16.193 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.054 17.237 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.123 14.849 0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.713 15.825 0.269 1.00 0.00 H new ATOM 624 N GLN A 39 14.738 13.156 -1.669 1.00 0.00 N ATOM 625 CA GLN A 39 15.834 12.170 -1.717 1.00 0.00 C ATOM 626 C GLN A 39 15.292 10.739 -1.724 1.00 0.00 C ATOM 627 O GLN A 39 15.523 9.975 -2.654 1.00 0.00 O ATOM 628 CB GLN A 39 16.779 12.376 -0.522 1.00 0.00 C ATOM 629 CG GLN A 39 17.442 13.761 -0.510 1.00 0.00 C ATOM 630 CD GLN A 39 18.212 14.025 -1.799 1.00 0.00 C ATOM 631 OE1 GLN A 39 19.080 13.286 -2.218 1.00 0.00 O ATOM 632 NE2 GLN A 39 17.899 15.083 -2.508 1.00 0.00 N ATOM 0 H GLN A 39 14.808 13.799 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 39 16.389 12.323 -2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 39 16.220 12.240 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 39 17.553 11.609 -0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 39 16.680 14.529 -0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 39 18.120 13.833 0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 39 17.174 15.721 -2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 39 18.381 15.268 -3.388 1.00 0.00 H new ATOM 641 N GLN A 40 14.489 10.416 -0.716 1.00 0.00 N ATOM 642 CA GLN A 40 13.795 9.135 -0.647 1.00 0.00 C ATOM 643 C GLN A 40 12.453 9.158 -1.355 1.00 0.00 C ATOM 644 O GLN A 40 11.629 8.297 -1.093 1.00 0.00 O ATOM 645 CB GLN A 40 13.703 8.677 0.819 1.00 0.00 C ATOM 646 CG GLN A 40 14.361 7.323 1.048 1.00 0.00 C ATOM 647 CD GLN A 40 15.828 7.305 0.626 1.00 0.00 C ATOM 648 OE1 GLN A 40 16.566 8.271 0.686 1.00 0.00 O ATOM 649 NE2 GLN A 40 16.307 6.205 0.106 1.00 0.00 N ATOM 0 H GLN A 40 14.301 11.033 0.074 1.00 0.00 H new ATOM 0 HA GLN A 40 14.378 8.393 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.177 9.421 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.655 8.623 1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.287 7.061 2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.817 6.560 0.491 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.719 5.374 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.269 6.177 -0.232 1.00 0.00 H new ATOM 658 N GLY A 41 12.229 10.094 -2.275 1.00 0.00 N ATOM 659 CA GLY A 41 10.993 10.180 -3.059 1.00 0.00 C ATOM 660 C GLY A 41 10.786 8.977 -3.967 1.00 0.00 C ATOM 661 O GLY A 41 9.805 8.238 -3.817 1.00 0.00 O ATOM 0 H GLY A 41 12.906 10.823 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.144 10.268 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.014 11.087 -3.664 1.00 0.00 H new ATOM 665 N PRO A 42 11.707 8.748 -4.920 1.00 0.00 N ATOM 666 CA PRO A 42 11.625 7.589 -5.788 1.00 0.00 C ATOM 667 C PRO A 42 11.998 6.293 -5.083 1.00 0.00 C ATOM 668 O PRO A 42 11.391 5.262 -5.382 1.00 0.00 O ATOM 669 CB PRO A 42 12.580 7.881 -6.944 1.00 0.00 C ATOM 670 CG PRO A 42 13.540 8.959 -6.443 1.00 0.00 C ATOM 671 CD PRO A 42 12.909 9.526 -5.174 1.00 0.00 C ATOM 0 HA PRO A 42 10.600 7.436 -6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 42 13.123 6.982 -7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.034 8.224 -7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 42 14.524 8.539 -6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 42 13.677 9.738 -7.193 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.600 9.456 -4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 42 12.667 10.581 -5.300 1.00 0.00 H new ATOM 679 N SER A 43 12.945 6.343 -4.134 1.00 0.00 N ATOM 680 CA SER A 43 13.441 5.221 -3.321 1.00 0.00 C ATOM 681 C SER A 43 12.397 4.728 -2.330 1.00 0.00 C ATOM 682 O SER A 43 12.507 4.827 -1.113 1.00 0.00 O ATOM 683 CB SER A 43 14.732 5.593 -2.577 1.00 0.00 C ATOM 684 OG SER A 43 15.429 6.664 -3.172 1.00 0.00 O ATOM 0 H SER A 43 13.413 7.219 -3.899 1.00 0.00 H new ATOM 0 HA SER A 43 13.659 4.410 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.487 5.855 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.385 4.721 -2.538 1.00 0.00 H new ATOM 0 HG SER A 43 16.239 6.855 -2.654 1.00 0.00 H new ATOM 690 N LEU A 44 11.339 4.162 -2.874 1.00 0.00 N ATOM 691 CA LEU A 44 10.171 3.699 -2.151 1.00 0.00 C ATOM 692 C LEU A 44 9.442 2.661 -2.962 1.00 0.00 C ATOM 693 O LEU A 44 8.962 1.715 -2.370 1.00 0.00 O ATOM 694 CB LEU A 44 9.218 4.874 -1.895 1.00 0.00 C ATOM 695 CG LEU A 44 9.267 5.351 -0.430 1.00 0.00 C ATOM 696 CD1 LEU A 44 9.093 6.853 -0.301 1.00 0.00 C ATOM 697 CD2 LEU A 44 8.208 4.705 0.445 1.00 0.00 C ATOM 0 H LEU A 44 11.266 4.005 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 44 10.497 3.269 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.479 5.702 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.200 4.576 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 44 10.259 5.052 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.136 7.135 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.890 7.360 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.128 7.144 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.297 5.083 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.219 4.943 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.347 3.624 0.446 1.00 0.00 H new ATOM 709 N ARG A 45 9.380 2.806 -4.296 1.00 0.00 N ATOM 710 CA ARG A 45 8.791 1.792 -5.189 1.00 0.00 C ATOM 711 C ARG A 45 9.543 0.495 -5.129 1.00 0.00 C ATOM 712 O ARG A 45 8.973 -0.432 -4.601 1.00 0.00 O ATOM 713 CB ARG A 45 8.667 2.259 -6.642 1.00 0.00 C ATOM 714 CG ARG A 45 7.232 2.117 -7.132 1.00 0.00 C ATOM 715 CD ARG A 45 6.238 2.838 -6.204 1.00 0.00 C ATOM 716 NE ARG A 45 5.529 3.901 -6.911 1.00 0.00 N ATOM 717 CZ ARG A 45 6.030 5.083 -7.220 1.00 0.00 C ATOM 718 NH1 ARG A 45 7.250 5.425 -6.902 1.00 0.00 N ATOM 719 NH2 ARG A 45 5.303 5.940 -7.871 1.00 0.00 N ATOM 0 H ARG A 45 9.736 3.627 -4.786 1.00 0.00 H new ATOM 0 HA ARG A 45 7.780 1.633 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.983 3.299 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.333 1.673 -7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.150 2.524 -8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.972 1.060 -7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.520 2.120 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.772 3.258 -5.352 1.00 0.00 H new ATOM 0 HE ARG A 45 4.566 3.715 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.849 4.770 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.604 6.347 -7.157 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.350 5.699 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.686 6.854 -8.112 1.00 0.00 H new ATOM 733 N GLU A 46 10.782 0.442 -5.594 1.00 0.00 N ATOM 734 CA GLU A 46 11.614 -0.780 -5.551 1.00 0.00 C ATOM 735 C GLU A 46 11.711 -1.375 -4.158 1.00 0.00 C ATOM 736 O GLU A 46 11.839 -2.580 -4.000 1.00 0.00 O ATOM 737 CB GLU A 46 13.013 -0.430 -6.047 1.00 0.00 C ATOM 738 CG GLU A 46 13.082 -0.480 -7.575 1.00 0.00 C ATOM 739 CD GLU A 46 14.535 -0.431 -8.055 1.00 0.00 C ATOM 740 OE1 GLU A 46 15.281 0.410 -7.504 1.00 0.00 O ATOM 741 OE2 GLU A 46 14.868 -1.226 -8.962 1.00 0.00 O ATOM 0 H GLU A 46 11.253 1.242 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 46 11.142 -1.529 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.287 0.566 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.737 -1.126 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.606 -1.392 -7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.527 0.358 -7.996 1.00 0.00 H new ATOM 748 N GLN A 47 11.551 -0.526 -3.144 1.00 0.00 N ATOM 749 CA GLN A 47 11.441 -0.949 -1.767 1.00 0.00 C ATOM 750 C GLN A 47 10.084 -1.585 -1.492 1.00 0.00 C ATOM 751 O GLN A 47 10.073 -2.726 -1.098 1.00 0.00 O ATOM 752 CB GLN A 47 11.681 0.222 -0.820 1.00 0.00 C ATOM 753 CG GLN A 47 12.945 -0.012 0.022 1.00 0.00 C ATOM 754 CD GLN A 47 12.780 0.488 1.446 1.00 0.00 C ATOM 755 OE1 GLN A 47 13.267 -0.081 2.401 1.00 0.00 O ATOM 756 NE2 GLN A 47 12.060 1.567 1.650 1.00 0.00 N ATOM 0 H GLN A 47 11.495 0.485 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 47 12.210 -1.701 -1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.785 1.144 -1.392 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.819 0.349 -0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.179 -1.076 0.036 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.790 0.494 -0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.643 2.059 0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.918 1.914 2.599 1.00 0.00 H new ATOM 765 N CYS A 48 8.958 -0.901 -1.690 1.00 0.00 N ATOM 766 CA CYS A 48 7.592 -1.430 -1.471 1.00 0.00 C ATOM 767 C CYS A 48 7.317 -2.620 -2.348 1.00 0.00 C ATOM 768 O CYS A 48 6.749 -3.559 -1.841 1.00 0.00 O ATOM 769 CB CYS A 48 6.546 -0.347 -1.727 1.00 0.00 C ATOM 770 SG CYS A 48 4.955 -0.684 -2.563 1.00 0.00 S ATOM 0 H CYS A 48 8.960 0.065 -2.017 1.00 0.00 H new ATOM 0 HA CYS A 48 7.529 -1.748 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.301 0.084 -0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.042 0.432 -2.306 1.00 0.00 H new ATOM 775 N CYS A 49 7.797 -2.611 -3.591 1.00 0.00 N ATOM 776 CA CYS A 49 7.767 -3.718 -4.545 1.00 0.00 C ATOM 777 C CYS A 49 8.448 -4.966 -3.976 1.00 0.00 C ATOM 778 O CYS A 49 8.321 -6.028 -4.557 1.00 0.00 O ATOM 779 CB CYS A 49 8.446 -3.340 -5.870 1.00 0.00 C ATOM 780 SG CYS A 49 7.442 -3.475 -7.374 1.00 0.00 S ATOM 0 H CYS A 49 8.244 -1.781 -3.982 1.00 0.00 H new ATOM 0 HA CYS A 49 6.716 -3.936 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.799 -2.312 -5.789 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.326 -3.971 -5.992 1.00 0.00 H new ATOM 785 N ASN A 50 9.190 -4.842 -2.870 1.00 0.00 N ATOM 786 CA ASN A 50 9.816 -5.909 -2.094 1.00 0.00 C ATOM 787 C ASN A 50 9.278 -6.015 -0.672 1.00 0.00 C ATOM 788 O ASN A 50 9.047 -7.116 -0.216 1.00 0.00 O ATOM 789 CB ASN A 50 11.331 -5.676 -2.026 1.00 0.00 C ATOM 790 CG ASN A 50 12.025 -6.586 -2.993 1.00 0.00 C ATOM 791 OD1 ASN A 50 12.623 -7.588 -2.642 1.00 0.00 O ATOM 792 ND2 ASN A 50 11.910 -6.282 -4.256 1.00 0.00 N ATOM 0 H ASN A 50 9.380 -3.924 -2.468 1.00 0.00 H new ATOM 0 HA ASN A 50 9.580 -6.842 -2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.560 -4.637 -2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.692 -5.861 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.324 -6.887 -4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.406 -5.440 -4.534 1.00 0.00 H new ATOM 799 N GLU A 51 9.065 -4.905 0.030 1.00 0.00 N ATOM 800 CA GLU A 51 8.504 -4.821 1.376 1.00 0.00 C ATOM 801 C GLU A 51 7.085 -5.395 1.418 1.00 0.00 C ATOM 802 O GLU A 51 6.641 -5.838 2.469 1.00 0.00 O ATOM 803 CB GLU A 51 8.575 -3.360 1.874 1.00 0.00 C ATOM 804 CG GLU A 51 7.201 -2.755 2.159 1.00 0.00 C ATOM 805 CD GLU A 51 7.233 -1.383 2.778 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.292 -0.839 3.148 1.00 0.00 O ATOM 807 OE2 GLU A 51 6.108 -0.861 2.908 1.00 0.00 O ATOM 0 H GLU A 51 9.293 -3.985 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 51 9.096 -5.432 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.178 -3.321 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.085 -2.752 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.641 -2.704 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.655 -3.425 2.823 1.00 0.00 H new ATOM 814 N LEU A 52 6.387 -5.412 0.280 1.00 0.00 N ATOM 815 CA LEU A 52 5.068 -5.997 0.178 1.00 0.00 C ATOM 816 C LEU A 52 5.148 -7.432 -0.379 1.00 0.00 C ATOM 817 O LEU A 52 4.180 -8.174 -0.332 1.00 0.00 O ATOM 818 CB LEU A 52 4.254 -4.958 -0.614 1.00 0.00 C ATOM 819 CG LEU A 52 4.033 -5.196 -2.112 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.237 -5.635 -2.953 1.00 0.00 C ATOM 821 CD2 LEU A 52 2.922 -6.211 -2.243 1.00 0.00 C ATOM 0 H LEU A 52 6.731 -5.016 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 52 4.557 -6.171 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.275 -4.874 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.747 -3.992 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 52 3.796 -4.217 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.928 -5.764 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.016 -4.875 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.624 -6.579 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.733 -6.409 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.214 -7.136 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.016 -5.821 -1.779 1.00 0.00 H new ATOM 833 N TYR A 53 6.321 -7.841 -0.870 1.00 0.00 N ATOM 834 CA TYR A 53 6.601 -9.105 -1.555 1.00 0.00 C ATOM 835 C TYR A 53 7.343 -10.081 -0.650 1.00 0.00 C ATOM 836 O TYR A 53 7.305 -11.285 -0.875 1.00 0.00 O ATOM 837 CB TYR A 53 7.506 -8.825 -2.759 1.00 0.00 C ATOM 838 CG TYR A 53 6.988 -9.345 -4.079 1.00 0.00 C ATOM 839 CD1 TYR A 53 7.070 -10.717 -4.386 1.00 0.00 C ATOM 840 CD2 TYR A 53 6.494 -8.443 -5.043 1.00 0.00 C ATOM 841 CE1 TYR A 53 6.674 -11.163 -5.657 1.00 0.00 C ATOM 842 CE2 TYR A 53 6.105 -8.890 -6.309 1.00 0.00 C ATOM 843 CZ TYR A 53 6.162 -10.266 -6.602 1.00 0.00 C ATOM 844 OH TYR A 53 5.656 -10.731 -7.778 1.00 0.00 O ATOM 0 H TYR A 53 7.155 -7.259 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 53 5.647 -9.541 -1.852 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.653 -7.748 -2.842 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.484 -9.267 -2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.434 -11.419 -3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.415 -7.394 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.765 -12.209 -5.908 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.764 -8.187 -7.055 1.00 0.00 H new ATOM 0 HH TYR A 53 5.312 -9.980 -8.306 1.00 0.00 H new ATOM 854 N GLN A 54 8.053 -9.564 0.357 1.00 0.00 N ATOM 855 CA GLN A 54 8.761 -10.337 1.373 1.00 0.00 C ATOM 856 C GLN A 54 7.804 -11.250 2.113 1.00 0.00 C ATOM 857 O GLN A 54 8.173 -12.351 2.507 1.00 0.00 O ATOM 858 CB GLN A 54 9.458 -9.404 2.380 1.00 0.00 C ATOM 859 CG GLN A 54 8.565 -8.273 2.923 1.00 0.00 C ATOM 860 CD GLN A 54 9.061 -7.632 4.210 1.00 0.00 C ATOM 861 OE1 GLN A 54 10.247 -7.475 4.473 1.00 0.00 O ATOM 862 NE2 GLN A 54 8.134 -7.236 5.050 1.00 0.00 N ATOM 0 H GLN A 54 8.152 -8.557 0.489 1.00 0.00 H new ATOM 0 HA GLN A 54 9.514 -10.942 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.819 -9.999 3.218 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.333 -8.962 1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.477 -7.500 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.564 -8.669 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.149 -7.371 4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.399 -6.793 5.930 1.00 0.00 H new ATOM 871 N GLU A 55 6.561 -10.803 2.253 1.00 0.00 N ATOM 872 CA GLU A 55 5.501 -11.580 2.846 1.00 0.00 C ATOM 873 C GLU A 55 4.910 -12.603 1.880 1.00 0.00 C ATOM 874 O GLU A 55 3.952 -13.275 2.221 1.00 0.00 O ATOM 875 CB GLU A 55 4.475 -10.627 3.438 1.00 0.00 C ATOM 876 CG GLU A 55 5.059 -9.687 4.492 1.00 0.00 C ATOM 877 CD GLU A 55 4.159 -9.591 5.724 1.00 0.00 C ATOM 878 OE1 GLU A 55 3.619 -10.628 6.184 1.00 0.00 O ATOM 879 OE2 GLU A 55 3.943 -8.440 6.141 1.00 0.00 O ATOM 0 H GLU A 55 6.266 -9.875 1.950 1.00 0.00 H new ATOM 0 HA GLU A 55 5.904 -12.191 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.035 -10.034 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.667 -11.206 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.046 -10.041 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.193 -8.695 4.061 1.00 0.00 H new ATOM 886 N ASP A 56 5.491 -12.791 0.698 1.00 0.00 N ATOM 887 CA ASP A 56 5.013 -13.641 -0.399 1.00 0.00 C ATOM 888 C ASP A 56 3.915 -12.899 -1.174 1.00 0.00 C ATOM 889 O ASP A 56 3.642 -11.720 -0.963 1.00 0.00 O ATOM 890 CB ASP A 56 4.512 -14.985 0.176 1.00 0.00 C ATOM 891 CG ASP A 56 4.616 -16.186 -0.740 1.00 0.00 C ATOM 892 OD1 ASP A 56 3.725 -16.282 -1.618 1.00 0.00 O ATOM 893 OD2 ASP A 56 5.493 -17.042 -0.488 1.00 0.00 O ATOM 0 H ASP A 56 6.367 -12.324 0.461 1.00 0.00 H new ATOM 0 HA ASP A 56 5.822 -13.859 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.073 -15.199 1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.468 -14.865 0.466 1.00 0.00 H new ATOM 898 N GLN A 57 3.201 -13.600 -2.051 1.00 0.00 N ATOM 899 CA GLN A 57 2.032 -13.126 -2.803 1.00 0.00 C ATOM 900 C GLN A 57 0.729 -13.305 -2.058 1.00 0.00 C ATOM 901 O GLN A 57 -0.256 -12.600 -2.289 1.00 0.00 O ATOM 902 CB GLN A 57 2.003 -13.897 -4.126 1.00 0.00 C ATOM 903 CG GLN A 57 2.755 -13.132 -5.210 1.00 0.00 C ATOM 904 CD GLN A 57 4.010 -12.469 -4.659 1.00 0.00 C ATOM 905 OE1 GLN A 57 4.989 -13.133 -4.377 1.00 0.00 O ATOM 906 NE2 GLN A 57 3.985 -11.176 -4.417 1.00 0.00 N ATOM 0 H GLN A 57 3.432 -14.569 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 57 2.129 -12.052 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.452 -14.881 -3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.971 -14.058 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.027 -13.814 -6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.101 -12.374 -5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.159 -10.628 -4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.792 -10.722 -3.989 1.00 0.00 H new ATOM 915 N VAL A 58 0.716 -14.235 -1.122 1.00 0.00 N ATOM 916 CA VAL A 58 -0.447 -14.504 -0.277 1.00 0.00 C ATOM 917 C VAL A 58 -0.580 -13.470 0.840 1.00 0.00 C ATOM 918 O VAL A 58 -1.619 -13.389 1.486 1.00 0.00 O ATOM 919 CB VAL A 58 -0.394 -15.934 0.272 1.00 0.00 C ATOM 920 CG1 VAL A 58 -1.798 -16.540 0.325 1.00 0.00 C ATOM 921 CG2 VAL A 58 0.589 -16.880 -0.442 1.00 0.00 C ATOM 0 H VAL A 58 1.516 -14.834 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.342 -14.417 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 58 0.008 -15.835 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.741 -17.555 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.431 -15.935 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.223 -16.562 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.549 -17.865 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.314 -16.964 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.600 -16.482 -0.362 1.00 0.00 H new ATOM 931 N CYS A 59 0.406 -12.576 0.951 1.00 0.00 N ATOM 932 CA CYS A 59 0.426 -11.405 1.806 1.00 0.00 C ATOM 933 C CYS A 59 0.443 -10.104 0.992 1.00 0.00 C ATOM 934 O CYS A 59 0.687 -9.020 1.514 1.00 0.00 O ATOM 935 CB CYS A 59 1.574 -11.477 2.760 1.00 0.00 C ATOM 936 SG CYS A 59 1.682 -12.951 3.815 1.00 0.00 S ATOM 0 H CYS A 59 1.264 -12.665 0.407 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.497 -11.395 2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.497 -11.405 2.185 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.532 -10.601 3.407 1.00 0.00 H new ATOM 941 N VAL A 60 0.062 -10.188 -0.285 1.00 0.00 N ATOM 942 CA VAL A 60 -0.106 -9.019 -1.147 1.00 0.00 C ATOM 943 C VAL A 60 -1.525 -8.536 -1.210 1.00 0.00 C ATOM 944 O VAL A 60 -1.804 -7.415 -1.614 1.00 0.00 O ATOM 945 CB VAL A 60 0.392 -9.339 -2.556 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.186 -8.393 -3.614 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.910 -9.308 -2.463 1.00 0.00 C ATOM 0 H VAL A 60 -0.139 -11.073 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 60 0.485 -8.215 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 60 0.051 -10.318 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.201 -8.665 -4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.273 -8.472 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.103 -7.368 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.339 -9.529 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.235 -8.319 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.246 -10.053 -1.742 1.00 0.00 H new ATOM 957 N CYS A 61 -2.493 -9.355 -0.859 1.00 0.00 N ATOM 958 CA CYS A 61 -3.894 -8.973 -0.824 1.00 0.00 C ATOM 959 C CYS A 61 -4.688 -10.208 -0.351 1.00 0.00 C ATOM 960 O CYS A 61 -4.267 -11.302 -0.674 1.00 0.00 O ATOM 961 CB CYS A 61 -4.395 -8.418 -2.180 1.00 0.00 C ATOM 962 SG CYS A 61 -5.324 -6.846 -2.081 1.00 0.00 S ATOM 0 H CYS A 61 -2.328 -10.323 -0.584 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.042 -8.147 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.536 -8.273 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.031 -9.169 -2.649 1.00 0.00 H new ATOM 967 N PRO A 62 -5.812 -10.039 0.367 1.00 0.00 N ATOM 968 CA PRO A 62 -6.223 -8.762 0.930 1.00 0.00 C ATOM 969 C PRO A 62 -5.378 -8.361 2.120 1.00 0.00 C ATOM 970 O PRO A 62 -5.676 -7.434 2.837 1.00 0.00 O ATOM 971 CB PRO A 62 -7.691 -8.875 1.281 1.00 0.00 C ATOM 972 CG PRO A 62 -7.916 -10.365 1.473 1.00 0.00 C ATOM 973 CD PRO A 62 -6.727 -11.084 0.817 1.00 0.00 C ATOM 0 HA PRO A 62 -6.074 -7.967 0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.928 -8.317 2.187 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.322 -8.476 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.980 -10.612 2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.855 -10.676 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.237 -11.751 1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.058 -11.698 -0.021 1.00 0.00 H new ATOM 981 N THR A 63 -4.258 -8.991 2.312 1.00 0.00 N ATOM 982 CA THR A 63 -3.239 -8.658 3.304 1.00 0.00 C ATOM 983 C THR A 63 -2.812 -7.198 3.238 1.00 0.00 C ATOM 984 O THR A 63 -2.897 -6.501 4.241 1.00 0.00 O ATOM 985 CB THR A 63 -2.074 -9.610 3.080 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.568 -10.769 2.410 1.00 0.00 O ATOM 987 CG2 THR A 63 -1.405 -9.990 4.390 1.00 0.00 C ATOM 0 H THR A 63 -4.001 -9.804 1.753 1.00 0.00 H new ATOM 0 HA THR A 63 -3.642 -8.779 4.309 1.00 0.00 H new ATOM 0 HB THR A 63 -1.316 -9.118 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.548 -11.534 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.577 -10.671 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.027 -9.092 4.879 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.130 -10.480 5.040 1.00 0.00 H new ATOM 995 N LEU A 64 -2.547 -6.671 2.035 1.00 0.00 N ATOM 996 CA LEU A 64 -2.302 -5.239 1.852 1.00 0.00 C ATOM 997 C LEU A 64 -3.506 -4.384 2.132 1.00 0.00 C ATOM 998 O LEU A 64 -3.315 -3.251 2.533 1.00 0.00 O ATOM 999 CB LEU A 64 -1.933 -4.944 0.407 1.00 0.00 C ATOM 1000 CG LEU A 64 -0.482 -4.479 0.261 1.00 0.00 C ATOM 1001 CD1 LEU A 64 0.186 -5.141 -0.911 1.00 0.00 C ATOM 1002 CD2 LEU A 64 -0.361 -2.967 0.064 1.00 0.00 C ATOM 0 H LEU A 64 -2.497 -7.218 1.175 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.504 -5.002 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.088 -5.839 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.599 -4.176 0.014 1.00 0.00 H new ATOM 0 HG LEU A 64 0.005 -4.759 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.215 -4.791 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.180 -6.222 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.352 -4.891 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.690 -2.696 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.897 -2.674 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.790 -2.453 0.924 1.00 0.00 H new ATOM 1014 N LYS A 65 -4.735 -4.901 1.961 1.00 0.00 N ATOM 1015 CA LYS A 65 -5.970 -4.216 2.380 1.00 0.00 C ATOM 1016 C LYS A 65 -5.779 -3.606 3.755 1.00 0.00 C ATOM 1017 O LYS A 65 -6.286 -2.523 3.965 1.00 0.00 O ATOM 1018 CB LYS A 65 -7.178 -5.172 2.352 1.00 0.00 C ATOM 1019 CG LYS A 65 -8.536 -4.483 2.246 1.00 0.00 C ATOM 1020 CD LYS A 65 -9.528 -5.271 1.383 1.00 0.00 C ATOM 1021 CE LYS A 65 -10.180 -6.418 2.168 1.00 0.00 C ATOM 1022 NZ LYS A 65 -11.582 -6.637 1.724 1.00 0.00 N ATOM 0 H LYS A 65 -4.900 -5.809 1.527 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.181 -3.415 1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.065 -5.853 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.164 -5.780 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.952 -4.352 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.403 -3.487 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.301 -4.598 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.012 -5.674 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.604 -7.333 2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.164 -6.190 3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.001 -7.417 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.135 -5.770 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.592 -6.877 0.712 1.00 0.00 H new ATOM 1036 N GLN A 66 -5.032 -4.238 4.669 1.00 0.00 N ATOM 1037 CA GLN A 66 -4.665 -3.648 5.962 1.00 0.00 C ATOM 1038 C GLN A 66 -3.666 -2.499 5.911 1.00 0.00 C ATOM 1039 O GLN A 66 -3.993 -1.420 6.394 1.00 0.00 O ATOM 1040 CB GLN A 66 -4.097 -4.715 6.876 1.00 0.00 C ATOM 1041 CG GLN A 66 -5.029 -4.952 8.056 1.00 0.00 C ATOM 1042 CD GLN A 66 -5.676 -6.302 7.940 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -6.878 -6.394 7.706 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -4.876 -7.346 7.981 1.00 0.00 N ATOM 0 H GLN A 66 -4.663 -5.179 4.531 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.599 -3.227 6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.959 -5.643 6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.114 -4.410 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.470 -4.887 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.793 -4.175 8.087 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.883 -7.220 8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.249 -8.281 7.814 1.00 0.00 H new ATOM 1053 N ALA A 67 -2.468 -2.726 5.372 1.00 0.00 N ATOM 1054 CA ALA A 67 -1.510 -1.647 5.149 1.00 0.00 C ATOM 1055 C ALA A 67 -2.142 -0.454 4.418 1.00 0.00 C ATOM 1056 O ALA A 67 -1.837 0.696 4.711 1.00 0.00 O ATOM 1057 CB ALA A 67 -0.299 -2.217 4.406 1.00 0.00 C ATOM 0 H ALA A 67 -2.140 -3.647 5.082 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.181 -1.250 6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.427 -1.423 4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.160 -3.003 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.620 -2.632 3.451 1.00 0.00 H new ATOM 1063 N ALA A 68 -3.093 -0.718 3.522 1.00 0.00 N ATOM 1064 CA ALA A 68 -3.869 0.254 2.764 1.00 0.00 C ATOM 1065 C ALA A 68 -4.998 0.885 3.597 1.00 0.00 C ATOM 1066 O ALA A 68 -5.295 2.071 3.467 1.00 0.00 O ATOM 1067 CB ALA A 68 -4.435 -0.440 1.527 1.00 0.00 C ATOM 0 H ALA A 68 -3.356 -1.677 3.295 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.211 1.073 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.020 0.273 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.616 -0.821 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.073 -1.268 1.835 1.00 0.00 H new ATOM 1073 N LYS A 69 -5.653 0.113 4.473 1.00 0.00 N ATOM 1074 CA LYS A 69 -6.689 0.603 5.404 1.00 0.00 C ATOM 1075 C LYS A 69 -6.158 1.741 6.256 1.00 0.00 C ATOM 1076 O LYS A 69 -6.785 2.793 6.327 1.00 0.00 O ATOM 1077 CB LYS A 69 -7.206 -0.547 6.287 1.00 0.00 C ATOM 1078 CG LYS A 69 -8.552 -1.108 5.805 1.00 0.00 C ATOM 1079 CD LYS A 69 -8.574 -2.638 5.708 1.00 0.00 C ATOM 1080 CE LYS A 69 -9.772 -3.271 6.389 1.00 0.00 C ATOM 1081 NZ LYS A 69 -9.519 -4.719 6.631 1.00 0.00 N ATOM 0 H LYS A 69 -5.478 -0.888 4.560 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.523 0.986 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.467 -1.349 6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.311 -0.193 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.338 -0.783 6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.784 -0.686 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.569 -2.927 4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.662 -3.035 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.971 -2.766 7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.660 -3.148 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.216 -5.084 7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.603 -5.240 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.561 -4.844 7.017 1.00 0.00 H new ATOM 1095 N SER A 70 -4.978 1.547 6.848 1.00 0.00 N ATOM 1096 CA SER A 70 -4.246 2.570 7.610 1.00 0.00 C ATOM 1097 C SER A 70 -3.065 3.103 6.814 1.00 0.00 C ATOM 1098 O SER A 70 -1.987 3.362 7.332 1.00 0.00 O ATOM 1099 CB SER A 70 -3.921 2.038 9.022 1.00 0.00 C ATOM 1100 OG SER A 70 -3.036 2.814 9.814 1.00 0.00 O ATOM 0 H SER A 70 -4.489 0.652 6.812 1.00 0.00 H new ATOM 0 HA SER A 70 -4.870 3.449 7.772 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.858 1.931 9.568 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.496 1.040 8.918 1.00 0.00 H new ATOM 0 HG SER A 70 -2.363 3.233 9.238 1.00 0.00 H new ATOM 1106 N VAL A 71 -3.270 3.368 5.525 1.00 0.00 N ATOM 1107 CA VAL A 71 -2.180 3.946 4.729 1.00 0.00 C ATOM 1108 C VAL A 71 -1.904 5.413 5.062 1.00 0.00 C ATOM 1109 O VAL A 71 -0.838 5.974 4.808 1.00 0.00 O ATOM 1110 CB VAL A 71 -2.519 3.759 3.257 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -3.261 4.921 2.677 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -1.325 3.529 2.385 1.00 0.00 C ATOM 0 H VAL A 71 -4.142 3.202 5.022 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.255 3.424 4.973 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.146 2.867 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.474 4.728 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.197 5.061 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.653 5.821 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.648 3.405 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.653 4.384 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.803 2.630 2.712 1.00 0.00 H new ATOM 1122 N ARG A 72 -2.930 6.066 5.599 1.00 0.00 N ATOM 1123 CA ARG A 72 -2.930 7.462 6.014 1.00 0.00 C ATOM 1124 C ARG A 72 -3.698 7.706 7.300 1.00 0.00 C ATOM 1125 O ARG A 72 -3.958 8.861 7.647 1.00 0.00 O ATOM 1126 CB ARG A 72 -3.485 8.315 4.864 1.00 0.00 C ATOM 1127 CG ARG A 72 -2.404 9.233 4.257 1.00 0.00 C ATOM 1128 CD ARG A 72 -2.862 10.703 4.136 1.00 0.00 C ATOM 1129 NE ARG A 72 -1.915 11.627 4.754 1.00 0.00 N ATOM 1130 CZ ARG A 72 -1.847 11.903 6.042 1.00 0.00 C ATOM 1131 NH1 ARG A 72 -2.665 11.363 6.909 1.00 0.00 N ATOM 1132 NH2 ARG A 72 -0.933 12.719 6.476 1.00 0.00 N ATOM 0 H ARG A 72 -3.828 5.612 5.764 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.902 7.749 6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.885 7.662 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.314 8.922 5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.507 9.187 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.131 8.860 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.983 10.959 3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.839 10.818 4.606 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.251 12.098 4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.381 10.708 6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.586 11.597 7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.274 13.141 5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.875 12.937 7.471 1.00 0.00 H new ATOM 1146 N VAL A 73 -4.125 6.636 7.958 1.00 0.00 N ATOM 1147 CA VAL A 73 -4.825 6.698 9.236 1.00 0.00 C ATOM 1148 C VAL A 73 -3.847 7.125 10.310 1.00 0.00 C ATOM 1149 O VAL A 73 -2.903 6.403 10.599 1.00 0.00 O ATOM 1150 CB VAL A 73 -5.418 5.338 9.594 1.00 0.00 C ATOM 1151 CG1 VAL A 73 -5.732 5.162 11.086 1.00 0.00 C ATOM 1152 CG2 VAL A 73 -6.656 5.083 8.738 1.00 0.00 C ATOM 0 H VAL A 73 -3.993 5.685 7.614 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.640 7.418 9.161 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.652 4.593 9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.150 4.170 11.255 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.816 5.274 11.666 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.454 5.917 11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.081 4.112 8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.395 5.862 8.925 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.378 5.092 7.684 1.00 0.00 H new ATOM 1162 N GLN A 74 -4.116 8.295 10.888 1.00 0.00 N ATOM 1163 CA GLN A 74 -3.333 8.923 11.953 1.00 0.00 C ATOM 1164 C GLN A 74 -3.922 10.290 12.305 1.00 0.00 C ATOM 1165 O GLN A 74 -3.551 11.308 11.721 1.00 0.00 O ATOM 1166 CB GLN A 74 -1.841 9.015 11.553 1.00 0.00 C ATOM 1167 CG GLN A 74 -0.986 8.178 12.508 1.00 0.00 C ATOM 1168 CD GLN A 74 0.331 7.811 11.848 1.00 0.00 C ATOM 1169 OE1 GLN A 74 0.473 6.883 11.072 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.369 8.565 12.101 1.00 0.00 N ATOM 0 H GLN A 74 -4.922 8.857 10.615 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.385 8.303 12.848 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.709 8.662 10.530 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.514 10.055 11.576 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.798 8.737 13.425 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.524 7.273 12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.284 9.350 12.746 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.264 8.368 11.653 1.00 0.00 H new ATOM 1179 N GLY A 75 -4.911 10.314 13.200 1.00 0.00 N ATOM 1180 CA GLY A 75 -5.573 11.547 13.631 1.00 0.00 C ATOM 1181 C GLY A 75 -7.060 11.482 13.317 1.00 0.00 C ATOM 1182 O GLY A 75 -7.712 10.478 13.580 1.00 0.00 O ATOM 0 H GLY A 75 -5.277 9.474 13.649 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.426 11.692 14.701 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.125 12.404 13.128 1.00 0.00 H new ATOM 1186 N GLN A 76 -7.594 12.541 12.712 1.00 0.00 N ATOM 1187 CA GLN A 76 -9.011 12.672 12.361 1.00 0.00 C ATOM 1188 C GLN A 76 -9.128 13.096 10.909 1.00 0.00 C ATOM 1189 O GLN A 76 -8.803 14.217 10.526 1.00 0.00 O ATOM 1190 CB GLN A 76 -9.694 13.652 13.317 1.00 0.00 C ATOM 1191 CG GLN A 76 -10.127 12.923 14.594 1.00 0.00 C ATOM 1192 CD GLN A 76 -10.551 13.912 15.660 1.00 0.00 C ATOM 1193 OE1 GLN A 76 -11.649 14.431 15.669 1.00 0.00 O ATOM 1194 NE2 GLN A 76 -9.676 14.227 16.583 1.00 0.00 N ATOM 0 H GLN A 76 -7.040 13.355 12.444 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.522 11.715 12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.012 14.465 13.566 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.561 14.101 12.833 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.952 12.247 14.370 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.305 12.311 14.965 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.753 13.794 16.579 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.918 14.905 17.305 1.00 0.00 H new ATOM 1203 N HIS A 77 -9.511 12.141 10.062 1.00 0.00 N ATOM 1204 CA HIS A 77 -9.754 12.390 8.648 1.00 0.00 C ATOM 1205 C HIS A 77 -11.215 12.125 8.315 1.00 0.00 C ATOM 1206 O HIS A 77 -12.109 12.573 9.011 1.00 0.00 O ATOM 1207 CB HIS A 77 -8.706 11.619 7.817 1.00 0.00 C ATOM 1208 CG HIS A 77 -8.526 12.241 6.455 1.00 0.00 C ATOM 1209 ND1 HIS A 77 -8.433 13.596 6.194 1.00 0.00 N ATOM 1210 CD2 HIS A 77 -8.465 11.562 5.278 1.00 0.00 C ATOM 1211 CE1 HIS A 77 -8.296 13.750 4.862 1.00 0.00 C ATOM 1212 NE2 HIS A 77 -8.318 12.537 4.290 1.00 0.00 N ATOM 0 H HIS A 77 -9.661 11.172 10.341 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.612 13.438 8.383 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.753 11.612 8.345 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.018 10.580 7.707 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -8.463 14.345 6.886 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.519 10.493 5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.187 14.691 4.343 1.00 0.00 H new ATOM 1221 N GLY A 78 -11.440 11.416 7.221 1.00 0.00 N ATOM 1222 CA GLY A 78 -12.761 11.083 6.727 1.00 0.00 C ATOM 1223 C GLY A 78 -12.700 10.610 5.269 1.00 0.00 C ATOM 1224 O GLY A 78 -11.637 10.145 4.815 1.00 0.00 O ATOM 0 H GLY A 78 -10.688 11.048 6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.199 10.302 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.412 11.954 6.804 1.00 0.00 H new ATOM 1228 N PRO A 79 -13.821 10.731 4.542 1.00 0.00 N ATOM 1229 CA PRO A 79 -13.946 10.305 3.155 1.00 0.00 C ATOM 1230 C PRO A 79 -13.149 11.203 2.222 1.00 0.00 C ATOM 1231 O PRO A 79 -13.592 12.276 1.853 1.00 0.00 O ATOM 1232 CB PRO A 79 -15.445 10.367 2.837 1.00 0.00 C ATOM 1233 CG PRO A 79 -16.065 11.277 3.893 1.00 0.00 C ATOM 1234 CD PRO A 79 -15.016 11.424 4.991 1.00 0.00 C ATOM 0 HA PRO A 79 -13.547 9.301 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.615 10.761 1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.891 9.373 2.869 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.324 12.247 3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.985 10.846 4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.802 12.476 5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.378 10.999 5.927 1.00 0.00 H new ATOM 1242 N PHE A 80 -11.927 10.802 1.890 1.00 0.00 N ATOM 1243 CA PHE A 80 -11.011 11.590 1.043 1.00 0.00 C ATOM 1244 C PHE A 80 -9.747 10.808 0.732 1.00 0.00 C ATOM 1245 O PHE A 80 -9.233 10.804 -0.383 1.00 0.00 O ATOM 1246 CB PHE A 80 -10.590 12.867 1.794 1.00 0.00 C ATOM 1247 CG PHE A 80 -10.802 14.138 1.009 1.00 0.00 C ATOM 1248 CD1 PHE A 80 -9.794 14.604 0.140 1.00 0.00 C ATOM 1249 CD2 PHE A 80 -11.999 14.873 1.150 1.00 0.00 C ATOM 1250 CE1 PHE A 80 -9.983 15.790 -0.575 1.00 0.00 C ATOM 1251 CE2 PHE A 80 -12.196 16.038 0.412 1.00 0.00 C ATOM 1252 CZ PHE A 80 -11.188 16.504 -0.445 1.00 0.00 C ATOM 0 H PHE A 80 -11.532 9.914 2.199 1.00 0.00 H new ATOM 0 HA PHE A 80 -11.535 11.828 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -11.151 12.930 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.536 12.788 2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.877 14.045 0.027 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -12.764 14.531 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -9.204 16.158 -1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -13.125 16.582 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.338 17.414 -1.007 1.00 0.00 H new ATOM 1262 N GLN A 81 -9.193 10.188 1.782 1.00 0.00 N ATOM 1263 CA GLN A 81 -8.016 9.347 1.636 1.00 0.00 C ATOM 1264 C GLN A 81 -8.349 8.104 0.869 1.00 0.00 C ATOM 1265 O GLN A 81 -7.950 8.065 -0.280 1.00 0.00 O ATOM 1266 CB GLN A 81 -7.353 9.003 2.959 1.00 0.00 C ATOM 1267 CG GLN A 81 -6.274 10.038 3.239 1.00 0.00 C ATOM 1268 CD GLN A 81 -5.210 10.099 2.155 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -4.333 9.288 2.090 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -5.207 11.064 1.271 1.00 0.00 N ATOM 0 H GLN A 81 -9.546 10.258 2.736 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.287 9.932 1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.090 8.997 3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.919 8.004 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.738 11.019 3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.799 9.810 4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.937 11.776 1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.475 11.104 0.562 1.00 0.00 H new ATOM 1279 N SER A 82 -9.086 7.161 1.461 1.00 0.00 N ATOM 1280 CA SER A 82 -9.504 5.904 0.816 1.00 0.00 C ATOM 1281 C SER A 82 -9.893 6.086 -0.643 1.00 0.00 C ATOM 1282 O SER A 82 -9.490 5.286 -1.464 1.00 0.00 O ATOM 1283 CB SER A 82 -10.644 5.243 1.580 1.00 0.00 C ATOM 1284 OG SER A 82 -11.815 6.017 1.487 1.00 0.00 O ATOM 0 H SER A 82 -9.418 7.247 2.422 1.00 0.00 H new ATOM 0 HA SER A 82 -8.631 5.251 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.828 4.246 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.365 5.120 2.626 1.00 0.00 H new ATOM 0 HG SER A 82 -12.538 5.577 1.982 1.00 0.00 H new ATOM 1290 N THR A 83 -10.493 7.220 -0.999 1.00 0.00 N ATOM 1291 CA THR A 83 -10.730 7.627 -2.387 1.00 0.00 C ATOM 1292 C THR A 83 -9.443 7.546 -3.211 1.00 0.00 C ATOM 1293 O THR A 83 -9.253 6.620 -3.986 1.00 0.00 O ATOM 1294 CB THR A 83 -11.374 9.029 -2.386 1.00 0.00 C ATOM 1295 OG1 THR A 83 -12.745 8.868 -2.196 1.00 0.00 O ATOM 1296 CG2 THR A 83 -11.080 9.900 -3.614 1.00 0.00 C ATOM 0 H THR A 83 -10.836 7.897 -0.318 1.00 0.00 H new ATOM 0 HA THR A 83 -11.424 6.941 -2.872 1.00 0.00 H new ATOM 0 HB THR A 83 -10.915 9.588 -1.571 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.180 9.746 -2.189 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.582 10.862 -3.507 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.005 10.059 -3.698 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.444 9.399 -4.511 1.00 0.00 H new ATOM 1304 N ARG A 84 -8.506 8.486 -3.043 1.00 0.00 N ATOM 1305 CA ARG A 84 -7.287 8.525 -3.859 1.00 0.00 C ATOM 1306 C ARG A 84 -6.326 7.418 -3.482 1.00 0.00 C ATOM 1307 O ARG A 84 -5.664 6.883 -4.350 1.00 0.00 O ATOM 1308 CB ARG A 84 -6.573 9.873 -3.741 1.00 0.00 C ATOM 1309 CG ARG A 84 -6.122 10.365 -5.122 1.00 0.00 C ATOM 1310 CD ARG A 84 -7.143 11.364 -5.673 1.00 0.00 C ATOM 1311 NE ARG A 84 -6.681 11.965 -6.936 1.00 0.00 N ATOM 1312 CZ ARG A 84 -7.053 13.135 -7.425 1.00 0.00 C ATOM 1313 NH1 ARG A 84 -7.901 13.901 -6.797 1.00 0.00 N ATOM 1314 NH2 ARG A 84 -6.560 13.574 -8.548 1.00 0.00 N ATOM 0 H ARG A 84 -8.569 9.231 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.604 8.381 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.240 10.606 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.710 9.777 -3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.142 10.836 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.020 9.521 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.096 10.860 -5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.319 12.149 -4.938 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.010 11.427 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.295 13.602 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.170 14.799 -7.198 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.879 13.013 -9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.855 14.479 -8.915 1.00 0.00 H new ATOM 1328 N ILE A 85 -6.257 7.083 -2.202 1.00 0.00 N ATOM 1329 CA ILE A 85 -5.454 5.993 -1.649 1.00 0.00 C ATOM 1330 C ILE A 85 -5.664 4.726 -2.443 1.00 0.00 C ATOM 1331 O ILE A 85 -4.711 4.191 -2.996 1.00 0.00 O ATOM 1332 CB ILE A 85 -5.778 5.791 -0.152 1.00 0.00 C ATOM 1333 CG1 ILE A 85 -5.083 6.877 0.685 1.00 0.00 C ATOM 1334 CG2 ILE A 85 -5.446 4.377 0.347 1.00 0.00 C ATOM 1335 CD1 ILE A 85 -3.581 7.037 0.408 1.00 0.00 C ATOM 0 H ILE A 85 -6.782 7.584 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.399 6.257 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.856 5.894 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.577 7.831 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.221 6.647 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.695 4.297 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.024 3.646 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.382 4.183 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.176 7.825 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.069 6.099 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.430 7.301 -0.639 1.00 0.00 H new ATOM 1347 N TYR A 86 -6.911 4.292 -2.557 1.00 0.00 N ATOM 1348 CA TYR A 86 -7.278 3.125 -3.347 1.00 0.00 C ATOM 1349 C TYR A 86 -7.063 3.425 -4.823 1.00 0.00 C ATOM 1350 O TYR A 86 -6.533 2.600 -5.559 1.00 0.00 O ATOM 1351 CB TYR A 86 -8.733 2.767 -3.079 1.00 0.00 C ATOM 1352 CG TYR A 86 -8.976 2.109 -1.721 1.00 0.00 C ATOM 1353 CD1 TYR A 86 -8.604 2.722 -0.501 1.00 0.00 C ATOM 1354 CD2 TYR A 86 -9.583 0.839 -1.673 1.00 0.00 C ATOM 1355 CE1 TYR A 86 -8.852 2.124 0.737 1.00 0.00 C ATOM 1356 CE2 TYR A 86 -9.827 0.220 -0.435 1.00 0.00 C ATOM 1357 CZ TYR A 86 -9.474 0.869 0.765 1.00 0.00 C ATOM 1358 OH TYR A 86 -9.692 0.258 1.962 1.00 0.00 O ATOM 0 H TYR A 86 -7.703 4.744 -2.100 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.653 2.277 -3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.336 3.672 -3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.081 2.095 -3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.112 3.683 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.862 0.340 -2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.570 2.619 1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.287 -0.757 -0.403 1.00 0.00 H new ATOM 0 HH TYR A 86 -10.133 -0.605 1.813 1.00 0.00 H new ATOM 1368 N GLN A 87 -7.289 4.665 -5.260 1.00 0.00 N ATOM 1369 CA GLN A 87 -7.023 5.087 -6.634 1.00 0.00 C ATOM 1370 C GLN A 87 -5.541 5.194 -6.977 1.00 0.00 C ATOM 1371 O GLN A 87 -5.172 5.499 -8.112 1.00 0.00 O ATOM 1372 CB GLN A 87 -7.689 6.420 -6.924 1.00 0.00 C ATOM 1373 CG GLN A 87 -8.398 6.386 -8.271 1.00 0.00 C ATOM 1374 CD GLN A 87 -9.371 7.539 -8.320 1.00 0.00 C ATOM 1375 OE1 GLN A 87 -10.547 7.431 -8.073 1.00 0.00 O ATOM 1376 NE2 GLN A 87 -8.902 8.732 -8.570 1.00 0.00 N ATOM 0 H GLN A 87 -7.663 5.407 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.442 4.299 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.405 6.653 -6.136 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.942 7.214 -6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.675 6.464 -9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.923 5.440 -8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.912 8.857 -8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.526 9.539 -8.553 1.00 0.00 H new ATOM 1385 N ILE A 88 -4.655 4.915 -6.034 1.00 0.00 N ATOM 1386 CA ILE A 88 -3.206 4.898 -6.196 1.00 0.00 C ATOM 1387 C ILE A 88 -2.645 3.554 -5.754 1.00 0.00 C ATOM 1388 O ILE A 88 -1.577 3.157 -6.217 1.00 0.00 O ATOM 1389 CB ILE A 88 -2.618 6.106 -5.448 1.00 0.00 C ATOM 1390 CG1 ILE A 88 -3.139 7.463 -5.970 1.00 0.00 C ATOM 1391 CG2 ILE A 88 -1.101 6.098 -5.621 1.00 0.00 C ATOM 1392 CD1 ILE A 88 -2.983 8.550 -4.898 1.00 0.00 C ATOM 0 H ILE A 88 -4.941 4.681 -5.083 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.920 4.999 -7.243 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.922 6.008 -4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.590 7.748 -6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.188 7.372 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.670 6.950 -5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.693 5.174 -5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.855 6.164 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.356 9.499 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.552 8.271 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.930 8.654 -4.635 1.00 0.00 H new ATOM 1404 N ALA A 89 -3.447 2.758 -5.051 1.00 0.00 N ATOM 1405 CA ALA A 89 -3.123 1.403 -4.670 1.00 0.00 C ATOM 1406 C ALA A 89 -3.654 0.392 -5.693 1.00 0.00 C ATOM 1407 O ALA A 89 -3.257 -0.764 -5.714 1.00 0.00 O ATOM 1408 CB ALA A 89 -3.616 1.186 -3.231 1.00 0.00 C ATOM 0 H ALA A 89 -4.366 3.056 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.046 1.237 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.384 0.168 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.120 1.893 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.694 1.342 -3.188 1.00 0.00 H new ATOM 1414 N LYS A 90 -4.510 0.817 -6.625 1.00 0.00 N ATOM 1415 CA LYS A 90 -5.061 -0.067 -7.665 1.00 0.00 C ATOM 1416 C LYS A 90 -4.061 -0.315 -8.785 1.00 0.00 C ATOM 1417 O LYS A 90 -4.129 -1.292 -9.516 1.00 0.00 O ATOM 1418 CB LYS A 90 -6.391 0.514 -8.185 1.00 0.00 C ATOM 1419 CG LYS A 90 -6.285 1.358 -9.461 1.00 0.00 C ATOM 1420 CD LYS A 90 -5.627 2.694 -9.143 1.00 0.00 C ATOM 1421 CE LYS A 90 -5.343 3.501 -10.407 1.00 0.00 C ATOM 1422 NZ LYS A 90 -4.099 4.300 -10.268 1.00 0.00 N ATOM 0 H LYS A 90 -4.842 1.780 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.263 -1.044 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.080 -0.310 -8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.832 1.127 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.703 0.825 -10.213 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.277 1.522 -9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.275 3.270 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.695 2.521 -8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.252 2.827 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.183 4.164 -10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.629 4.374 -11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.335 5.252 -9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.461 3.834 -9.591 1.00 0.00 H new ATOM 1436 N ASN A 91 -3.130 0.628 -8.936 1.00 0.00 N ATOM 1437 CA ASN A 91 -1.999 0.557 -9.848 1.00 0.00 C ATOM 1438 C ASN A 91 -0.762 -0.028 -9.203 1.00 0.00 C ATOM 1439 O ASN A 91 0.239 -0.224 -9.873 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.752 1.947 -10.458 1.00 0.00 C ATOM 1441 CG ASN A 91 -2.361 2.085 -11.837 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -3.537 1.553 -12.071 1.00 0.00 O flip ATOM 1443 ND2 ASN A 91 -1.837 2.758 -12.692 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.149 1.497 -8.401 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.245 -0.136 -10.652 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.170 2.709 -9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.679 2.130 -10.517 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.923 3.177 -12.522 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.309 2.907 -13.584 1.00 0.00 H new ATOM 1450 N LEU A 92 -0.845 -0.391 -7.934 1.00 0.00 N ATOM 1451 CA LEU A 92 0.232 -1.116 -7.276 1.00 0.00 C ATOM 1452 C LEU A 92 0.416 -2.507 -7.888 1.00 0.00 C ATOM 1453 O LEU A 92 1.498 -2.754 -8.392 1.00 0.00 O ATOM 1454 CB LEU A 92 -0.041 -1.206 -5.778 1.00 0.00 C ATOM 1455 CG LEU A 92 0.564 -0.065 -4.993 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -0.154 0.116 -3.654 1.00 0.00 C ATOM 1457 CD2 LEU A 92 2.035 -0.389 -4.754 1.00 0.00 C ATOM 0 H LEU A 92 -1.648 -0.196 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 92 1.162 -0.569 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.118 -1.222 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.354 -2.149 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 92 0.460 0.864 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.299 0.943 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.207 0.333 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.066 -0.799 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.498 0.419 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.116 -1.319 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.544 -0.499 -5.712 1.00 0.00 H new ATOM 1469 N PRO A 93 -0.599 -3.385 -7.956 1.00 0.00 N ATOM 1470 CA PRO A 93 -0.435 -4.686 -8.605 1.00 0.00 C ATOM 1471 C PRO A 93 -0.320 -4.614 -10.128 1.00 0.00 C ATOM 1472 O PRO A 93 -0.228 -5.653 -10.755 1.00 0.00 O ATOM 1473 CB PRO A 93 -1.663 -5.491 -8.189 1.00 0.00 C ATOM 1474 CG PRO A 93 -2.726 -4.468 -7.799 1.00 0.00 C ATOM 1475 CD PRO A 93 -1.982 -3.157 -7.617 1.00 0.00 C ATOM 0 HA PRO A 93 0.504 -5.142 -8.293 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.011 -6.122 -9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.432 -6.151 -7.353 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.489 -4.382 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.234 -4.761 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.409 -2.383 -8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.071 -2.807 -6.589 1.00 0.00 H new ATOM 1483 N ASN A 94 -0.314 -3.415 -10.718 1.00 0.00 N ATOM 1484 CA ASN A 94 -0.108 -3.179 -12.153 1.00 0.00 C ATOM 1485 C ASN A 94 1.330 -2.754 -12.436 1.00 0.00 C ATOM 1486 O ASN A 94 1.926 -3.194 -13.407 1.00 0.00 O ATOM 1487 CB ASN A 94 -1.061 -2.075 -12.620 1.00 0.00 C ATOM 1488 CG ASN A 94 -2.523 -2.412 -12.445 1.00 0.00 C ATOM 1489 OD1 ASN A 94 -2.957 -3.529 -12.254 1.00 0.00 O ATOM 1490 ND2 ASN A 94 -3.353 -1.408 -12.458 1.00 0.00 N ATOM 0 H ASN A 94 -0.457 -2.552 -10.194 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.307 -4.106 -12.691 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -0.841 -1.161 -12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -0.870 -1.866 -13.673 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.349 -1.568 -12.309 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -3.007 -0.462 -12.617 1.00 0.00 H new ATOM 1497 N VAL A 95 1.897 -1.894 -11.591 1.00 0.00 N ATOM 1498 CA VAL A 95 3.263 -1.368 -11.777 1.00 0.00 C ATOM 1499 C VAL A 95 4.277 -2.088 -10.890 1.00 0.00 C ATOM 1500 O VAL A 95 5.469 -2.082 -11.150 1.00 0.00 O ATOM 1501 CB VAL A 95 3.289 0.152 -11.524 1.00 0.00 C ATOM 1502 CG1 VAL A 95 4.609 0.743 -12.036 1.00 0.00 C ATOM 1503 CG2 VAL A 95 2.096 0.909 -12.160 1.00 0.00 C ATOM 0 H VAL A 95 1.429 -1.538 -10.757 1.00 0.00 H new ATOM 0 HA VAL A 95 3.554 -1.556 -12.811 1.00 0.00 H new ATOM 0 HB VAL A 95 3.202 0.286 -10.446 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.621 1.818 -11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.444 0.277 -11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.701 0.555 -13.106 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.182 1.973 -11.940 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.104 0.760 -13.240 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.162 0.527 -11.748 1.00 0.00 H new ATOM 1513 N CYS A 96 3.774 -2.780 -9.880 1.00 0.00 N ATOM 1514 CA CYS A 96 4.474 -3.623 -8.930 1.00 0.00 C ATOM 1515 C CYS A 96 3.822 -5.002 -8.909 1.00 0.00 C ATOM 1516 O CYS A 96 3.763 -5.586 -7.851 1.00 0.00 O ATOM 1517 CB CYS A 96 4.509 -2.928 -7.539 1.00 0.00 C ATOM 1518 SG CYS A 96 6.036 -2.011 -7.230 1.00 0.00 S ATOM 0 H CYS A 96 2.772 -2.762 -9.689 1.00 0.00 H new ATOM 0 HA CYS A 96 5.513 -3.768 -9.226 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.663 -2.246 -7.461 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.383 -3.682 -6.762 1.00 0.00 H new ATOM 1523 N ASN A 97 3.319 -5.542 -10.036 1.00 0.00 N ATOM 1524 CA ASN A 97 2.749 -6.909 -10.155 1.00 0.00 C ATOM 1525 C ASN A 97 3.275 -7.888 -9.114 1.00 0.00 C ATOM 1526 O ASN A 97 4.337 -8.497 -9.243 1.00 0.00 O ATOM 1527 CB ASN A 97 2.979 -7.507 -11.545 1.00 0.00 C ATOM 1528 CG ASN A 97 1.908 -7.130 -12.524 1.00 0.00 C ATOM 1529 OD1 ASN A 97 1.009 -7.896 -12.816 1.00 0.00 O ATOM 1530 ND2 ASN A 97 1.971 -5.936 -13.037 1.00 0.00 N ATOM 0 H ASN A 97 3.295 -5.029 -10.917 1.00 0.00 H new ATOM 0 HA ASN A 97 1.682 -6.771 -9.980 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.945 -7.173 -11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.026 -8.593 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.258 -5.626 -13.698 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.733 -5.309 -12.779 1.00 0.00 H new ATOM 1537 N MET A 98 2.500 -8.000 -8.052 1.00 0.00 N ATOM 1538 CA MET A 98 2.880 -8.734 -6.860 1.00 0.00 C ATOM 1539 C MET A 98 1.805 -9.722 -6.490 1.00 0.00 C ATOM 1540 O MET A 98 1.683 -10.153 -5.360 1.00 0.00 O ATOM 1541 CB MET A 98 3.256 -7.752 -5.738 1.00 0.00 C ATOM 1542 CG MET A 98 2.093 -6.856 -5.328 1.00 0.00 C ATOM 1543 SD MET A 98 2.418 -5.079 -5.327 1.00 0.00 S ATOM 1544 CE MET A 98 0.901 -4.495 -4.577 1.00 0.00 C ATOM 0 H MET A 98 1.574 -7.577 -7.992 1.00 0.00 H new ATOM 0 HA MET A 98 3.773 -9.331 -7.047 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.601 -8.313 -4.870 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.089 -7.131 -6.068 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.257 -7.051 -5.999 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.773 -7.146 -4.327 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.099 -3.577 -4.023 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.163 -4.297 -5.355 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.516 -5.254 -3.896 1.00 0.00 H new ATOM 1554 N LYS A 99 0.929 -10.050 -7.422 1.00 0.00 N ATOM 1555 CA LYS A 99 -0.141 -10.998 -7.191 1.00 0.00 C ATOM 1556 C LYS A 99 -0.573 -11.467 -8.551 1.00 0.00 C ATOM 1557 O LYS A 99 -1.310 -10.776 -9.236 1.00 0.00 O ATOM 1558 CB LYS A 99 -1.220 -10.344 -6.321 1.00 0.00 C ATOM 1559 CG LYS A 99 -2.591 -11.018 -6.431 1.00 0.00 C ATOM 1560 CD LYS A 99 -3.531 -10.133 -7.256 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.116 -9.054 -6.363 1.00 0.00 C ATOM 1562 NZ LYS A 99 -3.962 -7.699 -6.950 1.00 0.00 N ATOM 0 H LYS A 99 0.942 -9.663 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 99 0.149 -11.880 -6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.897 -10.365 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.316 -9.296 -6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.490 -11.997 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.008 -11.183 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.988 -9.680 -8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.330 -10.735 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.173 -9.258 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.626 -9.085 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.584 -7.032 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.974 -7.389 -6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.220 -7.725 -7.957 1.00 0.00 H new ATOM 1576 N GLN A 100 -0.080 -12.631 -8.936 1.00 0.00 N ATOM 1577 CA GLN A 100 -0.505 -13.246 -10.190 1.00 0.00 C ATOM 1578 C GLN A 100 -1.602 -14.273 -9.971 1.00 0.00 C ATOM 1579 O GLN A 100 -2.484 -14.386 -10.802 1.00 0.00 O ATOM 1580 CB GLN A 100 0.703 -13.877 -10.875 1.00 0.00 C ATOM 1581 CG GLN A 100 0.613 -13.640 -12.388 1.00 0.00 C ATOM 1582 CD GLN A 100 -0.425 -14.526 -13.059 1.00 0.00 C ATOM 1583 OE1 GLN A 100 -1.383 -14.080 -13.659 1.00 0.00 O ATOM 1584 NE2 GLN A 100 -0.257 -15.824 -12.961 1.00 0.00 N ATOM 0 H GLN A 100 0.608 -13.168 -8.408 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.923 -12.471 -10.832 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.624 -13.446 -10.482 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.737 -14.946 -10.665 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.367 -12.594 -12.574 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.588 -13.824 -12.839 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.547 -16.198 -12.457 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.931 -16.459 -13.389 1.00 0.00 H new ATOM 1593 N ILE A 101 -1.569 -14.966 -8.824 1.00 0.00 N ATOM 1594 CA ILE A 101 -2.607 -15.914 -8.409 1.00 0.00 C ATOM 1595 C ILE A 101 -4.009 -15.313 -8.584 1.00 0.00 C ATOM 1596 O ILE A 101 -4.734 -15.667 -9.504 1.00 0.00 O ATOM 1597 CB ILE A 101 -2.324 -16.434 -6.969 1.00 0.00 C ATOM 1598 CG1 ILE A 101 -3.542 -17.179 -6.366 1.00 0.00 C ATOM 1599 CG2 ILE A 101 -1.793 -15.338 -5.999 1.00 0.00 C ATOM 1600 CD1 ILE A 101 -4.123 -18.261 -7.297 1.00 0.00 C ATOM 0 H ILE A 101 -0.808 -14.881 -8.150 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.578 -16.786 -9.062 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.514 -17.154 -7.082 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.245 -17.642 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.322 -16.454 -6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.619 -15.775 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.858 -14.932 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.529 -14.538 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.972 -18.741 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.451 -17.801 -8.229 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.357 -19.007 -7.510 1.00 0.00 H new ATOM 1612 N GLY A 102 -4.397 -14.420 -7.673 1.00 0.00 N ATOM 1613 CA GLY A 102 -5.751 -13.852 -7.662 1.00 0.00 C ATOM 1614 C GLY A 102 -6.394 -13.891 -6.286 1.00 0.00 C ATOM 1615 O GLY A 102 -7.449 -14.469 -6.100 1.00 0.00 O ATOM 0 H GLY A 102 -3.792 -14.072 -6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.710 -12.820 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.376 -14.401 -8.366 1.00 0.00 H new ATOM 1619 N THR A 103 -5.740 -13.262 -5.314 1.00 0.00 N ATOM 1620 CA THR A 103 -6.180 -13.291 -3.912 1.00 0.00 C ATOM 1621 C THR A 103 -7.165 -12.147 -3.635 1.00 0.00 C ATOM 1622 O THR A 103 -8.365 -12.334 -3.513 1.00 0.00 O ATOM 1623 CB THR A 103 -4.956 -13.265 -2.984 1.00 0.00 C ATOM 1624 OG1 THR A 103 -3.917 -14.054 -3.501 1.00 0.00 O ATOM 1625 CG2 THR A 103 -5.308 -13.810 -1.602 1.00 0.00 C ATOM 0 H THR A 103 -4.892 -12.718 -5.469 1.00 0.00 H new ATOM 0 HA THR A 103 -6.718 -14.217 -3.711 1.00 0.00 H new ATOM 0 HB THR A 103 -4.637 -12.225 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.148 -14.021 -2.894 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.425 -13.781 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.095 -13.200 -1.160 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.655 -14.839 -1.694 1.00 0.00 H new ATOM 1633 N CYS A 104 -6.689 -10.900 -3.634 1.00 0.00 N ATOM 1634 CA CYS A 104 -7.525 -9.688 -3.617 1.00 0.00 C ATOM 1635 C CYS A 104 -7.073 -8.814 -4.790 1.00 0.00 C ATOM 1636 O CYS A 104 -6.173 -7.976 -4.665 1.00 0.00 O ATOM 1637 CB CYS A 104 -7.488 -9.076 -2.217 1.00 0.00 C ATOM 1638 SG CYS A 104 -7.331 -7.283 -1.951 1.00 0.00 S ATOM 0 H CYS A 104 -5.690 -10.695 -3.645 1.00 0.00 H new ATOM 0 HA CYS A 104 -8.588 -9.865 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.402 -9.389 -1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.657 -9.546 -1.691 1.00 0.00 H new ATOM 1643 N PRO A 105 -7.565 -9.084 -6.004 1.00 0.00 N ATOM 1644 CA PRO A 105 -7.359 -8.201 -7.137 1.00 0.00 C ATOM 1645 C PRO A 105 -8.260 -6.982 -7.009 1.00 0.00 C ATOM 1646 O PRO A 105 -9.090 -6.705 -7.856 1.00 0.00 O ATOM 1647 CB PRO A 105 -7.553 -9.076 -8.375 1.00 0.00 C ATOM 1648 CG PRO A 105 -8.441 -10.222 -7.900 1.00 0.00 C ATOM 1649 CD PRO A 105 -8.374 -10.221 -6.376 1.00 0.00 C ATOM 0 HA PRO A 105 -6.363 -7.762 -7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.024 -8.519 -9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.600 -9.444 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.467 -10.086 -8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.094 -11.174 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -9.372 -10.146 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.935 -11.148 -6.006 1.00 0.00 H new ATOM 1657 N PHE A 106 -8.108 -6.247 -5.897 1.00 0.00 N ATOM 1658 CA PHE A 106 -8.779 -4.965 -5.686 1.00 0.00 C ATOM 1659 C PHE A 106 -8.388 -4.037 -6.824 1.00 0.00 C ATOM 1660 O PHE A 106 -7.203 -3.967 -7.140 1.00 0.00 O ATOM 1661 CB PHE A 106 -8.398 -4.368 -4.316 1.00 0.00 C ATOM 1662 CG PHE A 106 -7.725 -3.005 -4.368 1.00 0.00 C ATOM 1663 CD1 PHE A 106 -8.427 -1.871 -4.847 1.00 0.00 C ATOM 1664 CD2 PHE A 106 -6.360 -2.888 -4.027 1.00 0.00 C ATOM 1665 CE1 PHE A 106 -7.776 -0.658 -5.018 1.00 0.00 C ATOM 1666 CE2 PHE A 106 -5.736 -1.644 -4.096 1.00 0.00 C ATOM 1667 CZ PHE A 106 -6.454 -0.538 -4.584 1.00 0.00 C ATOM 0 H PHE A 106 -7.513 -6.530 -5.119 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.860 -5.101 -5.681 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.300 -4.287 -3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.733 -5.065 -3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -9.478 -1.952 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.802 -3.758 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.282 0.178 -5.478 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.710 -1.530 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.972 0.427 -4.624 1.00 0.00 H new ATOM 1677 N ILE A 107 -9.386 -3.342 -7.364 1.00 0.00 N ATOM 1678 CA ILE A 107 -9.258 -2.348 -8.437 1.00 0.00 C ATOM 1679 C ILE A 107 -10.587 -1.735 -8.872 1.00 0.00 C ATOM 1680 O ILE A 107 -10.573 -0.591 -9.308 1.00 0.00 O ATOM 1681 CB ILE A 107 -8.633 -2.950 -9.718 1.00 0.00 C ATOM 1682 CG1 ILE A 107 -9.055 -4.433 -9.918 1.00 0.00 C ATOM 1683 CG2 ILE A 107 -7.096 -2.781 -9.768 1.00 0.00 C ATOM 1684 CD1 ILE A 107 -9.376 -4.792 -11.352 1.00 0.00 C ATOM 0 H ILE A 107 -10.351 -3.458 -7.055 1.00 0.00 H new ATOM 0 HA ILE A 107 -8.620 -1.582 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.032 -2.378 -10.555 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.253 -5.080 -9.563 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.928 -4.639 -9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -6.711 -3.221 -10.688 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.845 -1.721 -9.741 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.647 -3.282 -8.910 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.661 -5.842 -11.409 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.200 -4.172 -11.707 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.498 -4.620 -11.975 1.00 0.00 H new ATOM 1696 N ALA A 108 -11.686 -2.492 -8.799 1.00 0.00 N ATOM 1697 CA ALA A 108 -13.052 -2.010 -9.028 1.00 0.00 C ATOM 1698 C ALA A 108 -13.456 -1.003 -7.932 1.00 0.00 C ATOM 1699 O ALA A 108 -13.986 -1.395 -6.889 1.00 0.00 O ATOM 1700 CB ALA A 108 -14.006 -3.219 -9.124 1.00 0.00 C ATOM 0 H ALA A 108 -11.649 -3.486 -8.572 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.112 -1.471 -9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -15.023 -2.867 -9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -13.700 -3.859 -9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.969 -3.786 -8.194 1.00 0.00 H new ATOM 1706 N ILE A 109 -13.116 0.264 -8.154 1.00 0.00 N ATOM 1707 CA ILE A 109 -13.373 1.434 -7.298 1.00 0.00 C ATOM 1708 C ILE A 109 -13.852 2.645 -8.118 1.00 0.00 C ATOM 1709 O ILE A 109 -14.036 3.711 -7.491 1.00 0.00 O ATOM 1710 CB ILE A 109 -12.116 1.752 -6.458 1.00 0.00 C ATOM 1711 CG1 ILE A 109 -10.802 1.768 -7.283 1.00 0.00 C ATOM 1712 CG2 ILE A 109 -11.971 0.762 -5.285 1.00 0.00 C ATOM 1713 CD1 ILE A 109 -9.926 2.976 -6.998 1.00 0.00 C ATOM 1714 OXT ILE A 109 -14.035 2.472 -9.343 1.00 0.00 O ATOM 0 H ILE A 109 -12.614 0.527 -9.002 1.00 0.00 H new ATOM 0 HA ILE A 109 -14.186 1.196 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 109 -12.270 2.762 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.237 0.860 -7.070 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.048 1.749 -8.345 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.078 1.008 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.848 0.830 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.884 -0.253 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -9.024 2.924 -7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.474 3.887 -7.237 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.650 2.985 -5.943 1.00 0.00 H new TER 1726 ILE A 109