USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 923 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 13 HIS :FLIP no HE2:sc= -0.6 F(o=-2.4,f=-0.29) USER MOD Set 1.2: A 117 GLN :FLIP amide:sc= 0.314 F(o=-2.1,f=-0.29) USER MOD Set 2.1: A 25 TYR OH : rot 16:sc= 0.171 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.95! C(o=-2.2!,f=-9.4!) USER MOD Set 2.3: A 79 THR OG1 : rot 90:sc= 0.575 USER MOD Set 3.1: A 44 THR OG1 : rot 176:sc= 1.25 USER MOD Set 3.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 8 HIS : no HD1:sc= -0.754 X(o=-0.75,f=-0.31) USER MOD Single : A 3 ASN : amide:sc= -0.0253 K(o=-0.025,f=-0.83) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -6:sc= 0.295 USER MOD Single : A 12 GLN : amide:sc= -0.65 K(o=-0.65,f=-1.4) USER MOD Single : A 14 TYR OH : rot 4:sc= 0.44 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0307) USER MOD Single : A 30 MET CE :methyl 167:sc= -1.47 (180deg=-2.46) USER MOD Single : A 36 THR OG1 : rot 36:sc= 0.99 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -0.0455 (180deg=-0.279) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= 0.0305 F(o=-0.73,f=0.031) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.73) USER MOD Single : A 63 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.054) USER MOD Single : A 65 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.0159 X(o=0.016,f=-0.06) USER MOD Single : A 72 SER OG : rot 170:sc= 0.111 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc=-0.000207 (180deg=-0.0399) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 106:sc= 0.807 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -0.0205 (180deg=-0.385) USER MOD Single : A 84 HIS : no HD1:sc= -0.0445 X(o=-0.045,f=-0.045) USER MOD Single : A 87 SER OG : rot 40:sc= 0.307 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 94 TYR OH : rot 0:sc= 0.063 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.645 K(o=-0.64,f=-1.7!) USER MOD Single : A 109 ASN : amide:sc= -0.0929 K(o=-0.093,f=-1.6!) USER MOD Single : A 114 HIS :FLIP no HD1:sc= -1.55 F(o=-2.9!,f=-1.5) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.310 -4.999 1.672 1.00 0.00 N ATOM 33 CA ASN A 3 4.934 -5.194 2.946 1.00 0.00 C ATOM 34 C ASN A 3 4.966 -3.846 3.586 1.00 0.00 C ATOM 35 O ASN A 3 5.166 -3.709 4.791 1.00 0.00 O ATOM 36 CB ASN A 3 6.369 -5.745 2.816 1.00 0.00 C ATOM 37 CG ASN A 3 6.920 -6.114 4.195 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.330 -6.914 4.930 1.00 0.00 O ATOM 39 ND2 ASN A 3 8.099 -5.508 4.533 1.00 0.00 N ATOM 0 HA ASN A 3 4.380 -5.927 3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.372 -6.622 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.011 -5.000 2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.536 -5.709 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.541 -4.855 3.885 1.00 0.00 H new ATOM 46 N SER A 4 4.755 -2.810 2.748 1.00 0.00 N ATOM 47 CA SER A 4 4.794 -1.439 3.159 1.00 0.00 C ATOM 48 C SER A 4 3.443 -1.023 3.638 1.00 0.00 C ATOM 49 O SER A 4 3.322 -0.001 4.307 1.00 0.00 O ATOM 50 CB SER A 4 5.179 -0.494 2.013 1.00 0.00 C ATOM 51 OG SER A 4 6.455 -0.850 1.503 1.00 0.00 O ATOM 0 H SER A 4 4.551 -2.931 1.756 1.00 0.00 H new ATOM 0 HA SER A 4 5.546 -1.370 3.945 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.433 -0.547 1.220 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.194 0.536 2.369 1.00 0.00 H new ATOM 0 HG SER A 4 6.695 -0.245 0.771 1.00 0.00 H new ATOM 57 N ARG A 5 2.397 -1.803 3.290 1.00 0.00 N ATOM 58 CA ARG A 5 1.044 -1.495 3.659 1.00 0.00 C ATOM 59 C ARG A 5 0.858 -1.765 5.120 1.00 0.00 C ATOM 60 O ARG A 5 0.228 -0.963 5.814 1.00 0.00 O ATOM 61 CB ARG A 5 0.020 -2.300 2.839 1.00 0.00 C ATOM 62 CG ARG A 5 -1.445 -1.913 3.096 1.00 0.00 C ATOM 63 CD ARG A 5 -2.389 -2.428 2.005 1.00 0.00 C ATOM 64 NE ARG A 5 -2.173 -3.895 1.871 1.00 0.00 N ATOM 65 CZ ARG A 5 -2.853 -4.626 0.941 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.800 -4.037 0.155 1.00 0.00 N ATOM 67 NH2 ARG A 5 -2.577 -5.955 0.797 1.00 0.00 N ATOM 0 H ARG A 5 2.492 -2.660 2.745 1.00 0.00 H new ATOM 0 HA ARG A 5 0.868 -0.441 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.237 -2.168 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.147 -3.360 3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.759 -2.312 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.525 -0.828 3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.426 -2.217 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.190 -1.925 1.059 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.505 -4.362 2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.004 -3.043 0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.304 -4.590 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -1.867 -6.395 1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.081 -6.508 0.104 1.00 0.00 H new ATOM 81 N TYR A 6 1.422 -2.893 5.618 1.00 0.00 N ATOM 82 CA TYR A 6 1.429 -3.205 6.998 1.00 0.00 C ATOM 83 C TYR A 6 2.222 -2.226 7.781 1.00 0.00 C ATOM 84 O TYR A 6 1.725 -1.771 8.801 1.00 0.00 O ATOM 85 CB TYR A 6 2.051 -4.576 7.078 1.00 0.00 C ATOM 86 CG TYR A 6 2.768 -4.910 8.322 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.149 -4.954 9.545 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.038 -5.414 8.177 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.770 -5.546 10.613 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.658 -6.032 9.238 1.00 0.00 C ATOM 91 CZ TYR A 6 4.018 -6.110 10.461 1.00 0.00 C ATOM 92 OH TYR A 6 4.615 -6.796 11.535 1.00 0.00 O ATOM 0 H TYR A 6 1.880 -3.594 5.035 1.00 0.00 H new ATOM 0 HA TYR A 6 0.424 -3.174 7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.264 -5.315 6.931 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.747 -4.682 6.246 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.168 -4.520 9.667 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.549 -5.325 7.230 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.281 -5.571 11.575 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.644 -6.456 9.116 1.00 0.00 H new ATOM 0 HH TYR A 6 5.493 -7.133 11.260 1.00 0.00 H new ATOM 102 N THR A 7 3.456 -1.870 7.374 1.00 0.00 N ATOM 103 CA THR A 7 4.230 -1.027 8.222 1.00 0.00 C ATOM 104 C THR A 7 3.873 0.433 8.145 1.00 0.00 C ATOM 105 O THR A 7 4.321 1.201 8.992 1.00 0.00 O ATOM 106 CB THR A 7 5.700 -1.145 8.017 1.00 0.00 C ATOM 107 OG1 THR A 7 6.098 -0.497 6.818 1.00 0.00 O ATOM 108 CG2 THR A 7 6.140 -2.617 8.002 1.00 0.00 C ATOM 0 H THR A 7 3.898 -2.152 6.499 1.00 0.00 H new ATOM 0 HA THR A 7 3.969 -1.404 9.211 1.00 0.00 H new ATOM 0 HB THR A 7 6.192 -0.651 8.855 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.067 -0.586 6.704 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.218 -2.673 7.851 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.882 -3.083 8.953 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.632 -3.140 7.192 1.00 0.00 H new ATOM 116 N HIS A 8 3.039 0.856 7.166 1.00 0.00 N ATOM 117 CA HIS A 8 2.518 2.197 7.151 1.00 0.00 C ATOM 118 C HIS A 8 1.326 2.262 8.055 1.00 0.00 C ATOM 119 O HIS A 8 1.079 3.288 8.691 1.00 0.00 O ATOM 120 CB HIS A 8 2.142 2.714 5.758 1.00 0.00 C ATOM 121 CG HIS A 8 3.356 2.879 4.890 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.303 3.484 3.664 1.00 0.00 N ATOM 123 CD2 HIS A 8 4.640 2.492 5.089 1.00 0.00 C ATOM 124 CE1 HIS A 8 4.521 3.468 3.137 1.00 0.00 C ATOM 125 NE2 HIS A 8 5.351 2.871 3.982 1.00 0.00 N ATOM 0 H HIS A 8 2.728 0.272 6.390 1.00 0.00 H new ATOM 0 HA HIS A 8 3.320 2.848 7.499 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.447 2.020 5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.626 3.670 5.850 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.029 1.981 5.957 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.793 3.876 2.175 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.349 2.720 3.833 1.00 0.00 H new ATOM 134 N PHE A 9 0.603 1.123 8.165 1.00 0.00 N ATOM 135 CA PHE A 9 -0.375 0.898 9.201 1.00 0.00 C ATOM 136 C PHE A 9 0.285 0.970 10.559 1.00 0.00 C ATOM 137 O PHE A 9 -0.342 1.455 11.491 1.00 0.00 O ATOM 138 CB PHE A 9 -1.177 -0.422 8.989 1.00 0.00 C ATOM 139 CG PHE A 9 -1.686 -1.086 10.238 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.728 -0.530 10.962 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.175 -2.312 10.642 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.177 -1.126 12.124 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.676 -2.947 11.761 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.652 -2.339 12.519 1.00 0.00 C ATOM 0 H PHE A 9 0.700 0.339 7.519 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.118 1.694 9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.027 -0.208 8.341 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.541 -1.130 8.457 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.194 0.380 10.614 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.379 -2.773 10.076 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.937 -0.644 12.722 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.302 -3.921 12.042 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.006 -2.812 13.423 1.00 0.00 H new ATOM 154 N LEU A 10 1.552 0.516 10.709 1.00 0.00 N ATOM 155 CA LEU A 10 2.263 0.586 11.964 1.00 0.00 C ATOM 156 C LEU A 10 2.871 1.925 12.249 1.00 0.00 C ATOM 157 O LEU A 10 3.085 2.219 13.421 1.00 0.00 O ATOM 158 CB LEU A 10 3.344 -0.500 12.184 1.00 0.00 C ATOM 159 CG LEU A 10 2.731 -1.777 12.795 1.00 0.00 C ATOM 160 CD1 LEU A 10 1.638 -2.354 11.958 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.641 -2.955 13.066 1.00 0.00 C ATOM 0 H LEU A 10 2.091 0.095 9.952 1.00 0.00 H new ATOM 0 HA LEU A 10 1.456 0.396 12.672 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.821 -0.740 11.234 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.122 -0.115 12.843 1.00 0.00 H new ATOM 0 HG LEU A 10 2.404 -1.363 13.749 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.246 -3.250 12.439 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.838 -1.622 11.849 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.031 -2.612 10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.061 -3.772 13.494 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.097 -3.284 12.133 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.421 -2.658 13.767 1.00 0.00 H new ATOM 173 N THR A 11 3.155 2.781 11.237 1.00 0.00 N ATOM 174 CA THR A 11 3.632 4.113 11.538 1.00 0.00 C ATOM 175 C THR A 11 2.513 4.984 12.025 1.00 0.00 C ATOM 176 O THR A 11 2.744 5.879 12.835 1.00 0.00 O ATOM 177 CB THR A 11 4.347 4.847 10.430 1.00 0.00 C ATOM 178 OG1 THR A 11 3.562 4.878 9.250 1.00 0.00 O ATOM 179 CG2 THR A 11 5.704 4.177 10.154 1.00 0.00 C ATOM 0 H THR A 11 3.060 2.565 10.245 1.00 0.00 H new ATOM 0 HA THR A 11 4.382 3.931 12.307 1.00 0.00 H new ATOM 0 HB THR A 11 4.513 5.876 10.748 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.759 4.330 9.377 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.217 4.710 9.353 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.314 4.205 11.057 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.544 3.141 9.856 1.00 0.00 H new ATOM 187 N GLN A 12 1.278 4.729 11.551 1.00 0.00 N ATOM 188 CA GLN A 12 0.109 5.367 12.103 1.00 0.00 C ATOM 189 C GLN A 12 -0.202 4.805 13.445 1.00 0.00 C ATOM 190 O GLN A 12 -0.347 5.559 14.403 1.00 0.00 O ATOM 191 CB GLN A 12 -1.158 5.139 11.251 1.00 0.00 C ATOM 192 CG GLN A 12 -1.085 5.669 9.814 1.00 0.00 C ATOM 193 CD GLN A 12 -1.040 7.193 9.826 1.00 0.00 C ATOM 194 OE1 GLN A 12 -0.004 7.794 9.521 1.00 0.00 O ATOM 195 NE2 GLN A 12 -2.211 7.810 10.168 1.00 0.00 N ATOM 0 H GLN A 12 1.084 4.082 10.786 1.00 0.00 H new ATOM 0 HA GLN A 12 0.349 6.430 12.139 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.365 4.069 11.216 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.003 5.611 11.752 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.200 5.274 9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.950 5.326 9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.030 7.252 10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.266 8.828 10.182 1.00 0.00 H new ATOM 204 N HIS A 13 -0.361 3.478 13.530 1.00 0.00 N ATOM 205 CA HIS A 13 -1.002 2.891 14.660 1.00 0.00 C ATOM 206 C HIS A 13 -0.017 2.436 15.676 1.00 0.00 C ATOM 207 O HIS A 13 -0.151 2.815 16.830 1.00 0.00 O ATOM 208 CB HIS A 13 -1.944 1.746 14.276 1.00 0.00 C ATOM 209 CG HIS A 13 -3.102 2.273 13.489 1.00 0.00 C ATOM 210 ND1 HIS A 13 -3.238 2.538 12.170 1.00 0.00 N flip ATOM 211 CD2 HIS A 13 -4.237 2.713 14.108 1.00 0.00 C flip ATOM 212 CE1 HIS A 13 -4.464 3.123 12.003 1.00 0.00 C flip ATOM 213 NE2 HIS A 13 -5.045 3.220 13.191 1.00 0.00 N flip ATOM 0 H HIS A 13 -0.048 2.814 12.822 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.612 3.679 15.102 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.404 1.002 13.690 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.303 1.244 15.174 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.556 2.339 11.438 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.441 2.657 15.167 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.886 3.450 11.064 1.00 0.00 H new ATOM 222 N TYR A 14 0.979 1.605 15.320 1.00 0.00 N ATOM 223 CA TYR A 14 1.772 0.973 16.339 1.00 0.00 C ATOM 224 C TYR A 14 2.786 1.946 16.879 1.00 0.00 C ATOM 225 O TYR A 14 3.717 2.346 16.182 1.00 0.00 O ATOM 226 CB TYR A 14 2.455 -0.289 15.847 1.00 0.00 C ATOM 227 CG TYR A 14 3.330 -0.963 16.835 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.953 -1.256 18.133 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.553 -1.393 16.377 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.819 -1.923 18.974 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.457 -1.961 17.246 1.00 0.00 C ATOM 232 CZ TYR A 14 5.088 -2.244 18.541 1.00 0.00 C ATOM 233 OH TYR A 14 5.999 -2.888 19.402 1.00 0.00 O ATOM 0 H TYR A 14 1.233 1.373 14.360 1.00 0.00 H new ATOM 0 HA TYR A 14 1.094 0.672 17.138 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.689 -0.994 15.524 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.051 -0.041 14.969 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.977 -0.961 18.489 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.805 -1.285 15.332 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.503 -2.194 19.971 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.459 -2.185 16.910 1.00 0.00 H new ATOM 0 HH TYR A 14 5.556 -3.094 20.252 1.00 0.00 H new ATOM 243 N ASP A 15 2.604 2.338 18.154 1.00 0.00 N ATOM 244 CA ASP A 15 3.503 3.226 18.828 1.00 0.00 C ATOM 245 C ASP A 15 3.747 2.494 20.091 1.00 0.00 C ATOM 246 O ASP A 15 2.957 2.600 21.020 1.00 0.00 O ATOM 247 CB ASP A 15 2.956 4.624 19.182 1.00 0.00 C ATOM 248 CG ASP A 15 4.075 5.345 19.924 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.154 5.561 19.308 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.863 5.704 21.112 1.00 0.00 O ATOM 0 H ASP A 15 1.818 2.033 18.728 1.00 0.00 H new ATOM 0 HA ASP A 15 4.358 3.444 18.188 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.671 5.170 18.282 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.064 4.547 19.804 1.00 0.00 H new ATOM 255 N ALA A 16 4.837 1.708 20.093 1.00 0.00 N ATOM 256 CA ALA A 16 5.155 0.637 21.006 1.00 0.00 C ATOM 257 C ALA A 16 4.879 0.790 22.470 1.00 0.00 C ATOM 258 O ALA A 16 4.462 -0.182 23.094 1.00 0.00 O ATOM 259 CB ALA A 16 6.584 0.123 20.817 1.00 0.00 C ATOM 0 H ALA A 16 5.568 1.829 19.392 1.00 0.00 H new ATOM 0 HA ALA A 16 4.403 -0.086 20.691 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.778 -0.682 21.526 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.705 -0.251 19.800 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.289 0.936 20.990 1.00 0.00 H new ATOM 265 N LYS A 17 5.084 1.984 23.057 1.00 0.00 N ATOM 266 CA LYS A 17 4.565 2.257 24.374 1.00 0.00 C ATOM 267 C LYS A 17 4.211 3.716 24.406 1.00 0.00 C ATOM 268 O LYS A 17 4.812 4.486 23.657 1.00 0.00 O ATOM 269 CB LYS A 17 5.573 2.031 25.533 1.00 0.00 C ATOM 270 CG LYS A 17 5.835 0.566 25.923 1.00 0.00 C ATOM 271 CD LYS A 17 4.600 -0.159 26.485 1.00 0.00 C ATOM 272 CE LYS A 17 4.824 -1.660 26.703 1.00 0.00 C ATOM 273 NZ LYS A 17 5.910 -1.891 27.681 1.00 0.00 N ATOM 0 H LYS A 17 5.601 2.754 22.632 1.00 0.00 H new ATOM 0 HA LYS A 17 3.732 1.572 24.531 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.523 2.488 25.256 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.209 2.561 26.413 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.194 0.026 25.047 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.632 0.535 26.666 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.318 0.300 27.432 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.763 -0.019 25.801 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.903 -2.122 27.059 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.074 -2.137 25.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.000 -2.911 27.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.806 -1.528 27.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.688 -1.397 28.569 1.00 0.00 H new ATOM 287 N PRO A 18 3.275 4.145 25.251 1.00 0.00 N ATOM 288 CA PRO A 18 2.953 5.532 25.444 1.00 0.00 C ATOM 289 C PRO A 18 4.024 6.196 26.259 1.00 0.00 C ATOM 290 O PRO A 18 4.788 5.517 26.947 1.00 0.00 O ATOM 291 CB PRO A 18 1.673 5.502 26.292 1.00 0.00 C ATOM 292 CG PRO A 18 1.672 4.131 26.966 1.00 0.00 C ATOM 293 CD PRO A 18 2.271 3.293 25.858 1.00 0.00 C ATOM 0 HA PRO A 18 2.850 6.065 24.499 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.671 6.304 27.030 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.787 5.637 25.672 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.274 4.113 27.874 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.670 3.803 27.241 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.714 2.377 26.250 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.513 2.996 25.133 1.00 0.00 H new ATOM 301 N GLN A 19 4.039 7.547 26.220 1.00 0.00 N ATOM 302 CA GLN A 19 4.795 8.351 27.128 1.00 0.00 C ATOM 303 C GLN A 19 4.056 8.318 28.426 1.00 0.00 C ATOM 304 O GLN A 19 4.483 7.678 29.386 1.00 0.00 O ATOM 305 CB GLN A 19 4.913 9.807 26.646 1.00 0.00 C ATOM 306 CG GLN A 19 5.777 9.956 25.388 1.00 0.00 C ATOM 307 CD GLN A 19 5.766 11.428 24.977 1.00 0.00 C ATOM 308 OE1 GLN A 19 6.150 12.312 25.751 1.00 0.00 O ATOM 309 NE2 GLN A 19 5.305 11.681 23.713 1.00 0.00 N ATOM 0 H GLN A 19 3.510 8.090 25.537 1.00 0.00 H new ATOM 0 HA GLN A 19 5.810 7.963 27.214 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.916 10.198 26.443 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.337 10.415 27.445 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.796 9.623 25.584 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.388 9.333 24.583 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.001 10.911 23.117 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.266 12.640 23.367 1.00 0.00 H new ATOM 318 N GLY A 20 2.901 9.003 28.446 1.00 0.00 N ATOM 319 CA GLY A 20 1.908 8.821 29.463 1.00 0.00 C ATOM 320 C GLY A 20 0.691 8.478 28.698 1.00 0.00 C ATOM 321 O GLY A 20 0.714 8.440 27.472 1.00 0.00 O ATOM 0 H GLY A 20 2.649 9.698 27.743 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.184 8.026 30.156 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.769 9.726 30.055 1.00 0.00 H new ATOM 325 N ARG A 21 -0.405 8.219 29.420 1.00 0.00 N ATOM 326 CA ARG A 21 -1.643 7.822 28.806 1.00 0.00 C ATOM 327 C ARG A 21 -2.610 8.920 29.076 1.00 0.00 C ATOM 328 O ARG A 21 -3.535 8.774 29.874 1.00 0.00 O ATOM 329 CB ARG A 21 -2.188 6.488 29.349 1.00 0.00 C ATOM 330 CG ARG A 21 -1.330 5.294 28.905 1.00 0.00 C ATOM 331 CD ARG A 21 -1.719 3.964 29.558 1.00 0.00 C ATOM 332 NE ARG A 21 -3.139 3.661 29.221 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.809 2.668 29.875 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.159 1.871 30.773 1.00 0.00 N ATOM 335 NH2 ARG A 21 -5.139 2.474 29.638 1.00 0.00 N ATOM 0 H ARG A 21 -0.443 8.283 30.437 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.485 7.658 27.740 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.221 6.526 30.438 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.212 6.347 29.004 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.405 5.190 27.823 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.286 5.506 29.134 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.068 3.165 29.203 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.592 4.023 30.639 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.613 4.200 28.496 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.167 2.016 30.959 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.666 1.131 31.258 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.631 3.071 28.973 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.641 1.732 30.126 1.00 0.00 H new ATOM 349 N ASP A 22 -2.385 10.069 28.409 1.00 0.00 N ATOM 350 CA ASP A 22 -3.136 11.254 28.685 1.00 0.00 C ATOM 351 C ASP A 22 -3.120 12.101 27.458 1.00 0.00 C ATOM 352 O ASP A 22 -2.456 11.781 26.472 1.00 0.00 O ATOM 353 CB ASP A 22 -2.617 12.035 29.907 1.00 0.00 C ATOM 354 CG ASP A 22 -1.096 12.184 29.887 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.566 12.986 29.075 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.441 11.495 30.715 1.00 0.00 O ATOM 0 H ASP A 22 -1.682 10.176 27.678 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.155 10.967 28.945 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.078 13.023 29.929 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.919 11.522 30.820 1.00 0.00 H new ATOM 361 N ASP A 23 -3.878 13.216 27.519 1.00 0.00 N ATOM 362 CA ASP A 23 -4.161 14.078 26.404 1.00 0.00 C ATOM 363 C ASP A 23 -2.975 14.872 25.945 1.00 0.00 C ATOM 364 O ASP A 23 -2.998 15.387 24.832 1.00 0.00 O ATOM 365 CB ASP A 23 -5.321 15.063 26.671 1.00 0.00 C ATOM 366 CG ASP A 23 -4.958 16.077 27.754 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.794 15.671 28.936 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.858 17.286 27.410 1.00 0.00 O ATOM 0 H ASP A 23 -4.314 13.532 28.385 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.452 13.382 25.617 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.573 15.588 25.750 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.209 14.508 26.974 1.00 0.00 H new ATOM 373 N ARG A 24 -1.912 14.984 26.775 1.00 0.00 N ATOM 374 CA ARG A 24 -0.713 15.679 26.404 1.00 0.00 C ATOM 375 C ARG A 24 0.147 14.769 25.577 1.00 0.00 C ATOM 376 O ARG A 24 0.894 15.238 24.719 1.00 0.00 O ATOM 377 CB ARG A 24 0.074 16.179 27.637 1.00 0.00 C ATOM 378 CG ARG A 24 1.278 17.098 27.347 1.00 0.00 C ATOM 379 CD ARG A 24 0.954 18.370 26.546 1.00 0.00 C ATOM 380 NE ARG A 24 -0.098 19.158 27.262 1.00 0.00 N ATOM 381 CZ ARG A 24 0.209 20.118 28.187 1.00 0.00 C ATOM 382 NH1 ARG A 24 1.505 20.383 28.521 1.00 0.00 N ATOM 383 NH2 ARG A 24 -0.799 20.819 28.786 1.00 0.00 N ATOM 0 H ARG A 24 -1.887 14.587 27.714 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.995 16.558 25.825 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.616 16.713 28.291 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.431 15.311 28.191 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.728 17.390 28.296 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.028 16.526 26.801 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.853 18.973 26.422 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.608 18.105 25.547 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.079 18.973 27.053 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.262 19.862 28.079 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.717 21.102 29.213 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.770 20.625 28.542 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.580 21.537 29.477 1.00 0.00 H new ATOM 397 N TYR A 25 0.038 13.439 25.806 1.00 0.00 N ATOM 398 CA TYR A 25 0.748 12.454 25.037 1.00 0.00 C ATOM 399 C TYR A 25 0.055 12.304 23.731 1.00 0.00 C ATOM 400 O TYR A 25 0.714 12.051 22.728 1.00 0.00 O ATOM 401 CB TYR A 25 0.822 11.065 25.723 1.00 0.00 C ATOM 402 CG TYR A 25 0.920 9.910 24.755 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.079 9.625 24.046 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.175 9.073 24.589 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.131 8.555 23.176 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.125 8.007 23.716 1.00 0.00 C ATOM 407 CZ TYR A 25 1.027 7.748 23.007 1.00 0.00 C ATOM 408 OH TYR A 25 1.077 6.662 22.112 1.00 0.00 O ATOM 0 H TYR A 25 -0.553 13.043 26.537 1.00 0.00 H new ATOM 0 HA TYR A 25 1.774 12.804 24.926 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.686 11.044 26.387 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.062 10.930 26.346 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.951 10.249 24.177 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.078 9.259 25.151 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.038 8.350 22.627 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.991 7.374 23.588 1.00 0.00 H new ATOM 0 HH TYR A 25 2.011 6.460 21.894 1.00 0.00 H new ATOM 418 N CYS A 26 -1.288 12.435 23.711 1.00 0.00 N ATOM 419 CA CYS A 26 -2.064 12.096 22.581 1.00 0.00 C ATOM 420 C CYS A 26 -1.990 13.208 21.572 1.00 0.00 C ATOM 421 O CYS A 26 -1.982 12.965 20.363 1.00 0.00 O ATOM 422 CB CYS A 26 -3.479 11.906 23.112 1.00 0.00 C ATOM 423 SG CYS A 26 -4.250 10.334 22.650 1.00 0.00 S ATOM 0 H CYS A 26 -1.832 12.784 24.500 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.716 11.194 22.077 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.458 11.980 24.199 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.103 12.723 22.748 1.00 0.00 H new ATOM 428 N GLU A 27 -1.890 14.454 22.087 1.00 0.00 N ATOM 429 CA GLU A 27 -1.619 15.638 21.316 1.00 0.00 C ATOM 430 C GLU A 27 -0.245 15.550 20.742 1.00 0.00 C ATOM 431 O GLU A 27 -0.064 15.835 19.560 1.00 0.00 O ATOM 432 CB GLU A 27 -1.644 16.940 22.143 1.00 0.00 C ATOM 433 CG GLU A 27 -3.048 17.427 22.523 1.00 0.00 C ATOM 434 CD GLU A 27 -3.530 18.443 21.499 1.00 0.00 C ATOM 435 OE1 GLU A 27 -3.640 18.086 20.298 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.797 19.603 21.915 1.00 0.00 O ATOM 0 H GLU A 27 -2.003 14.644 23.083 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.405 15.680 20.562 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.067 16.787 23.055 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.142 17.725 21.577 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.737 16.584 22.566 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.032 17.876 23.516 1.00 0.00 H new ATOM 443 N SER A 28 0.747 15.158 21.577 1.00 0.00 N ATOM 444 CA SER A 28 2.131 15.098 21.191 1.00 0.00 C ATOM 445 C SER A 28 2.398 14.091 20.120 1.00 0.00 C ATOM 446 O SER A 28 3.226 14.347 19.253 1.00 0.00 O ATOM 447 CB SER A 28 3.077 14.780 22.364 1.00 0.00 C ATOM 448 OG SER A 28 4.431 14.777 21.937 1.00 0.00 O ATOM 0 H SER A 28 0.581 14.876 22.543 1.00 0.00 H new ATOM 0 HA SER A 28 2.334 16.101 20.816 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.943 15.518 23.155 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.823 13.808 22.788 1.00 0.00 H new ATOM 0 HG SER A 28 5.014 14.574 22.698 1.00 0.00 H new ATOM 454 N ILE A 29 1.703 12.936 20.149 1.00 0.00 N ATOM 455 CA ILE A 29 1.960 11.885 19.205 1.00 0.00 C ATOM 456 C ILE A 29 1.240 12.125 17.921 1.00 0.00 C ATOM 457 O ILE A 29 1.723 11.724 16.865 1.00 0.00 O ATOM 458 CB ILE A 29 1.784 10.462 19.707 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.383 9.484 18.687 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.324 10.103 20.036 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.624 8.110 19.266 1.00 0.00 C ATOM 0 H ILE A 29 0.966 12.729 20.823 1.00 0.00 H new ATOM 0 HA ILE A 29 3.034 11.946 19.030 1.00 0.00 H new ATOM 0 HB ILE A 29 2.320 10.382 20.653 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.711 9.401 17.833 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.325 9.887 18.314 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.273 9.073 20.388 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.049 10.771 20.812 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.288 10.211 19.140 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.048 7.461 18.499 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.318 8.185 20.103 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.680 7.691 19.614 1.00 0.00 H new ATOM 473 N MET A 30 0.087 12.821 17.958 1.00 0.00 N ATOM 474 CA MET A 30 -0.556 13.180 16.725 1.00 0.00 C ATOM 475 C MET A 30 0.190 14.284 16.026 1.00 0.00 C ATOM 476 O MET A 30 0.082 14.404 14.811 1.00 0.00 O ATOM 477 CB MET A 30 -2.016 13.604 16.897 1.00 0.00 C ATOM 478 CG MET A 30 -2.974 12.423 17.118 1.00 0.00 C ATOM 479 SD MET A 30 -3.698 11.854 15.553 1.00 0.00 S ATOM 480 CE MET A 30 -5.103 10.920 16.207 1.00 0.00 C ATOM 0 H MET A 30 -0.388 13.127 18.807 1.00 0.00 H new ATOM 0 HA MET A 30 -0.543 12.273 16.121 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.091 14.286 17.744 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.332 14.158 16.013 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.437 11.601 17.592 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.769 12.721 17.801 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.795 10.688 15.397 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.746 9.993 16.656 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.615 11.515 16.963 1.00 0.00 H new ATOM 490 N ARG A 31 0.977 15.106 16.757 1.00 0.00 N ATOM 491 CA ARG A 31 1.813 16.103 16.138 1.00 0.00 C ATOM 492 C ARG A 31 3.120 15.538 15.647 1.00 0.00 C ATOM 493 O ARG A 31 3.682 16.067 14.688 1.00 0.00 O ATOM 494 CB ARG A 31 2.136 17.277 17.076 1.00 0.00 C ATOM 495 CG ARG A 31 0.888 18.096 17.422 1.00 0.00 C ATOM 496 CD ARG A 31 1.130 19.122 18.530 1.00 0.00 C ATOM 497 NE ARG A 31 -0.192 19.505 19.112 1.00 0.00 N ATOM 498 CZ ARG A 31 -1.024 20.411 18.518 1.00 0.00 C ATOM 499 NH1 ARG A 31 -0.690 21.017 17.342 1.00 0.00 N ATOM 500 NH2 ARG A 31 -2.212 20.714 19.118 1.00 0.00 N ATOM 0 H ARG A 31 1.035 15.081 17.775 1.00 0.00 H new ATOM 0 HA ARG A 31 1.224 16.462 15.294 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.585 16.895 17.993 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.875 17.925 16.605 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.540 18.612 16.527 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.091 17.419 17.730 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.777 18.703 19.301 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.638 20.000 18.130 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.485 19.072 19.988 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.197 20.796 16.888 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.327 21.691 16.916 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.468 20.266 19.998 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.844 21.389 18.687 1.00 0.00 H new ATOM 514 N ARG A 32 3.646 14.471 16.297 1.00 0.00 N ATOM 515 CA ARG A 32 4.932 13.910 15.958 1.00 0.00 C ATOM 516 C ARG A 32 4.830 13.008 14.771 1.00 0.00 C ATOM 517 O ARG A 32 5.739 12.988 13.941 1.00 0.00 O ATOM 518 CB ARG A 32 5.570 13.067 17.080 1.00 0.00 C ATOM 519 CG ARG A 32 6.268 13.894 18.169 1.00 0.00 C ATOM 520 CD ARG A 32 7.561 14.564 17.695 1.00 0.00 C ATOM 521 NE ARG A 32 8.152 15.289 18.856 1.00 0.00 N ATOM 522 CZ ARG A 32 9.318 15.987 18.719 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.962 16.022 17.516 1.00 0.00 N ATOM 524 NH2 ARG A 32 9.841 16.653 19.790 1.00 0.00 N ATOM 0 H ARG A 32 3.175 13.993 17.065 1.00 0.00 H new ATOM 0 HA ARG A 32 5.556 14.782 15.765 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.796 12.455 17.544 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.295 12.383 16.638 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.581 14.661 18.527 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.493 13.247 19.017 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.260 13.819 17.314 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.355 15.255 16.878 1.00 0.00 H new ATOM 0 HE ARG A 32 7.681 15.264 19.761 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.573 15.526 16.714 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.832 16.545 17.419 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.361 16.629 20.690 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.712 17.175 19.690 1.00 0.00 H new ATOM 538 N ARG A 33 3.721 12.243 14.665 1.00 0.00 N ATOM 539 CA ARG A 33 3.470 11.391 13.532 1.00 0.00 C ATOM 540 C ARG A 33 3.028 12.210 12.351 1.00 0.00 C ATOM 541 O ARG A 33 3.191 11.777 11.211 1.00 0.00 O ATOM 542 CB ARG A 33 2.418 10.297 13.809 1.00 0.00 C ATOM 543 CG ARG A 33 3.011 8.923 14.154 1.00 0.00 C ATOM 544 CD ARG A 33 3.955 8.945 15.360 1.00 0.00 C ATOM 545 NE ARG A 33 4.024 7.573 15.946 1.00 0.00 N ATOM 546 CZ ARG A 33 4.846 6.603 15.443 1.00 0.00 C ATOM 547 NH1 ARG A 33 5.657 6.857 14.375 1.00 0.00 N ATOM 548 NH2 ARG A 33 4.852 5.363 16.013 1.00 0.00 N ATOM 0 H ARG A 33 2.988 12.215 15.374 1.00 0.00 H new ATOM 0 HA ARG A 33 4.413 10.888 13.319 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.781 10.622 14.632 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.778 10.194 12.932 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.197 8.226 14.353 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.552 8.543 13.287 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.948 9.275 15.055 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.598 9.656 16.105 1.00 0.00 H new ATOM 0 HE ARG A 33 3.437 7.352 16.750 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.655 7.780 13.941 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.265 6.124 14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.246 5.165 16.809 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.463 4.635 15.643 1.00 0.00 H new ATOM 562 N GLY A 34 2.489 13.426 12.600 1.00 0.00 N ATOM 563 CA GLY A 34 2.258 14.393 11.564 1.00 0.00 C ATOM 564 C GLY A 34 0.886 14.194 11.027 1.00 0.00 C ATOM 565 O GLY A 34 0.660 14.279 9.820 1.00 0.00 O ATOM 0 H GLY A 34 2.211 13.739 13.530 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.367 15.403 11.958 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.995 14.280 10.769 1.00 0.00 H new ATOM 569 N LEU A 35 -0.060 13.920 11.947 1.00 0.00 N ATOM 570 CA LEU A 35 -1.431 13.659 11.622 1.00 0.00 C ATOM 571 C LEU A 35 -2.241 14.795 12.159 1.00 0.00 C ATOM 572 O LEU A 35 -3.457 14.691 12.304 1.00 0.00 O ATOM 573 CB LEU A 35 -2.003 12.422 12.334 1.00 0.00 C ATOM 574 CG LEU A 35 -1.151 11.129 12.298 1.00 0.00 C ATOM 575 CD1 LEU A 35 -1.902 9.942 12.930 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.678 10.754 10.883 1.00 0.00 C ATOM 0 H LEU A 35 0.135 13.879 12.947 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.475 13.517 10.542 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.177 12.683 13.378 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.975 12.199 11.895 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.262 11.348 12.890 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.275 9.051 12.888 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.137 10.172 13.969 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.826 9.762 12.381 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.087 9.839 10.927 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.544 10.595 10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.068 11.561 10.477 1.00 0.00 H new ATOM 588 N THR A 36 -1.555 15.913 12.480 1.00 0.00 N ATOM 589 CA THR A 36 -2.145 17.087 13.054 1.00 0.00 C ATOM 590 C THR A 36 -2.545 17.994 11.931 1.00 0.00 C ATOM 591 O THR A 36 -3.271 18.966 12.124 1.00 0.00 O ATOM 592 CB THR A 36 -1.192 17.783 14.010 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.765 18.958 14.565 1.00 0.00 O ATOM 594 CG2 THR A 36 0.150 18.135 13.331 1.00 0.00 C ATOM 0 H THR A 36 -0.549 16.001 12.333 1.00 0.00 H new ATOM 0 HA THR A 36 -3.019 16.810 13.643 1.00 0.00 H new ATOM 0 HB THR A 36 -0.999 17.074 14.815 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.723 18.815 14.716 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.802 18.631 14.050 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.629 17.222 12.976 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.033 18.800 12.487 1.00 0.00 H new ATOM 602 N SER A 37 -2.071 17.670 10.711 1.00 0.00 N ATOM 603 CA SER A 37 -2.272 18.465 9.546 1.00 0.00 C ATOM 604 C SER A 37 -2.868 17.587 8.486 1.00 0.00 C ATOM 605 O SER A 37 -2.115 16.831 7.875 1.00 0.00 O ATOM 606 CB SER A 37 -0.911 18.919 9.010 1.00 0.00 C ATOM 607 OG SER A 37 -0.366 19.940 9.831 1.00 0.00 O ATOM 0 H SER A 37 -1.529 16.824 10.535 1.00 0.00 H new ATOM 0 HA SER A 37 -2.908 19.317 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.227 18.071 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.020 19.285 7.989 1.00 0.00 H new ATOM 0 HG SER A 37 0.504 20.217 9.475 1.00 0.00 H new ATOM 613 N PRO A 38 -4.156 17.620 8.172 1.00 0.00 N ATOM 614 CA PRO A 38 -5.251 18.112 8.972 1.00 0.00 C ATOM 615 C PRO A 38 -5.490 17.097 10.056 1.00 0.00 C ATOM 616 O PRO A 38 -5.033 15.960 9.921 1.00 0.00 O ATOM 617 CB PRO A 38 -6.432 18.141 7.998 1.00 0.00 C ATOM 618 CG PRO A 38 -6.128 17.035 6.984 1.00 0.00 C ATOM 619 CD PRO A 38 -4.601 17.029 6.923 1.00 0.00 C ATOM 0 HA PRO A 38 -5.084 19.086 9.431 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.375 17.957 8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.519 19.112 7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.522 16.072 7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.569 17.249 6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.218 16.015 6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.241 17.602 6.068 1.00 0.00 H new ATOM 627 N CYS A 39 -6.194 17.508 11.143 1.00 0.00 N ATOM 628 CA CYS A 39 -6.424 16.699 12.297 1.00 0.00 C ATOM 629 C CYS A 39 -7.212 15.482 11.930 1.00 0.00 C ATOM 630 O CYS A 39 -8.327 15.571 11.413 1.00 0.00 O ATOM 631 CB CYS A 39 -7.232 17.432 13.383 1.00 0.00 C ATOM 632 SG CYS A 39 -6.538 19.044 13.856 1.00 0.00 S ATOM 0 H CYS A 39 -6.613 18.436 11.211 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.437 16.445 12.683 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.252 17.577 13.027 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.290 16.799 14.268 1.00 0.00 H new ATOM 637 N LYS A 40 -6.594 14.314 12.200 1.00 0.00 N ATOM 638 CA LYS A 40 -7.157 13.016 11.992 1.00 0.00 C ATOM 639 C LYS A 40 -8.204 12.850 13.042 1.00 0.00 C ATOM 640 O LYS A 40 -8.005 13.256 14.184 1.00 0.00 O ATOM 641 CB LYS A 40 -6.071 11.926 12.146 1.00 0.00 C ATOM 642 CG LYS A 40 -6.512 10.474 11.904 1.00 0.00 C ATOM 643 CD LYS A 40 -7.038 10.197 10.490 1.00 0.00 C ATOM 644 CE LYS A 40 -7.389 8.722 10.280 1.00 0.00 C ATOM 645 NZ LYS A 40 -7.880 8.503 8.903 1.00 0.00 N ATOM 0 H LYS A 40 -5.650 14.277 12.584 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.574 12.919 10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.259 12.155 11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.661 11.994 13.154 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.667 9.814 12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.290 10.219 12.624 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.922 10.808 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.286 10.497 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.511 8.102 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.150 8.416 10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.115 7.498 8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.730 9.080 8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.142 8.776 8.224 1.00 0.00 H new ATOM 659 N ASP A 41 -9.355 12.265 12.648 1.00 0.00 N ATOM 660 CA ASP A 41 -10.521 12.202 13.482 1.00 0.00 C ATOM 661 C ASP A 41 -10.366 11.178 14.555 1.00 0.00 C ATOM 662 O ASP A 41 -10.776 11.415 15.689 1.00 0.00 O ATOM 663 CB ASP A 41 -11.793 11.856 12.697 1.00 0.00 C ATOM 664 CG ASP A 41 -11.963 12.899 11.602 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.114 14.102 11.944 1.00 0.00 O ATOM 666 OD2 ASP A 41 -11.943 12.505 10.405 1.00 0.00 O ATOM 0 H ASP A 41 -9.478 11.828 11.734 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.621 13.199 13.911 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.716 10.858 12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.660 11.851 13.358 1.00 0.00 H new ATOM 671 N ILE A 42 -9.788 10.008 14.225 1.00 0.00 N ATOM 672 CA ILE A 42 -9.577 9.000 15.220 1.00 0.00 C ATOM 673 C ILE A 42 -8.389 8.219 14.757 1.00 0.00 C ATOM 674 O ILE A 42 -8.341 7.755 13.619 1.00 0.00 O ATOM 675 CB ILE A 42 -10.821 8.139 15.488 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.644 7.158 16.676 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.382 7.482 14.205 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.228 5.727 16.316 1.00 0.00 C ATOM 0 H ILE A 42 -9.472 9.762 13.287 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.386 9.446 16.196 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.599 8.828 15.818 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.897 7.572 17.354 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.584 7.113 17.226 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.260 6.886 14.455 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.661 8.257 13.491 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.621 6.839 13.763 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.136 5.135 17.227 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.982 5.281 15.668 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.270 5.746 15.797 1.00 0.00 H new ATOM 690 N ASN A 43 -7.389 8.055 15.649 1.00 0.00 N ATOM 691 CA ASN A 43 -6.310 7.155 15.347 1.00 0.00 C ATOM 692 C ASN A 43 -5.862 6.599 16.651 1.00 0.00 C ATOM 693 O ASN A 43 -5.574 7.331 17.598 1.00 0.00 O ATOM 694 CB ASN A 43 -5.105 7.779 14.617 1.00 0.00 C ATOM 695 CG ASN A 43 -4.247 6.680 13.984 1.00 0.00 C ATOM 696 OD1 ASN A 43 -3.341 6.114 14.604 1.00 0.00 O ATOM 697 ND2 ASN A 43 -4.556 6.402 12.680 1.00 0.00 N ATOM 0 H ASN A 43 -7.325 8.528 16.551 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.688 6.408 14.649 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.453 8.468 13.847 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.506 8.360 15.318 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.026 5.695 12.170 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.316 6.902 12.218 1.00 0.00 H new ATOM 704 N THR A 44 -5.818 5.258 16.699 1.00 0.00 N ATOM 705 CA THR A 44 -5.524 4.536 17.893 1.00 0.00 C ATOM 706 C THR A 44 -4.085 4.178 17.872 1.00 0.00 C ATOM 707 O THR A 44 -3.625 3.528 16.935 1.00 0.00 O ATOM 708 CB THR A 44 -6.350 3.291 17.951 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.700 3.671 17.755 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.210 2.594 19.311 1.00 0.00 C ATOM 0 H THR A 44 -5.991 4.662 15.889 1.00 0.00 H new ATOM 0 HA THR A 44 -5.752 5.146 18.767 1.00 0.00 H new ATOM 0 HB THR A 44 -6.015 2.592 17.185 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.264 2.870 17.725 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.822 1.692 19.322 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.166 2.326 19.477 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.542 3.268 20.101 1.00 0.00 H new ATOM 718 N PHE A 45 -3.347 4.588 18.925 1.00 0.00 N ATOM 719 CA PHE A 45 -1.968 4.233 19.020 1.00 0.00 C ATOM 720 C PHE A 45 -1.907 2.997 19.859 1.00 0.00 C ATOM 721 O PHE A 45 -2.235 3.020 21.042 1.00 0.00 O ATOM 722 CB PHE A 45 -1.037 5.333 19.556 1.00 0.00 C ATOM 723 CG PHE A 45 -1.057 6.469 18.576 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.201 6.547 17.483 1.00 0.00 C ATOM 725 CD2 PHE A 45 -1.991 7.471 18.758 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.283 7.610 16.605 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.119 8.492 17.837 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.260 8.566 16.760 1.00 0.00 C ATOM 0 H PHE A 45 -3.701 5.155 19.695 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.586 4.069 18.013 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.369 5.670 20.538 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.024 4.950 19.677 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.533 5.771 17.320 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.628 7.455 19.630 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.424 7.691 15.792 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.894 9.234 17.960 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.354 9.369 16.044 1.00 0.00 H new ATOM 738 N ILE A 46 -1.504 1.878 19.221 1.00 0.00 N ATOM 739 CA ILE A 46 -1.458 0.571 19.811 1.00 0.00 C ATOM 740 C ILE A 46 -0.129 0.456 20.464 1.00 0.00 C ATOM 741 O ILE A 46 0.856 0.979 19.962 1.00 0.00 O ATOM 742 CB ILE A 46 -1.440 -0.545 18.783 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.336 -0.293 17.549 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.727 -1.898 19.446 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.835 -0.190 17.827 1.00 0.00 C ATOM 0 H ILE A 46 -1.196 1.886 18.249 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.330 0.473 20.458 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.428 -0.566 18.378 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.010 0.630 17.069 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.173 -1.099 16.834 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.709 -2.684 18.691 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.967 -2.102 20.200 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.709 -1.871 19.918 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.367 -0.013 16.892 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.187 -1.120 18.274 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.022 0.636 18.513 1.00 0.00 H new ATOM 757 N HIS A 47 -0.074 -0.251 21.600 1.00 0.00 N ATOM 758 CA HIS A 47 1.122 -0.430 22.366 1.00 0.00 C ATOM 759 C HIS A 47 1.219 -1.875 22.723 1.00 0.00 C ATOM 760 O HIS A 47 0.251 -2.470 23.193 1.00 0.00 O ATOM 761 CB HIS A 47 1.081 0.315 23.698 1.00 0.00 C ATOM 762 CG HIS A 47 0.356 1.623 23.610 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.774 2.667 22.817 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.754 2.072 24.255 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.085 3.689 23.024 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.029 3.376 23.889 1.00 0.00 N ATOM 0 H HIS A 47 -0.887 -0.716 22.003 1.00 0.00 H new ATOM 0 HA HIS A 47 1.953 -0.059 21.765 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.597 -0.314 24.446 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.100 0.492 24.041 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.580 2.669 22.191 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.338 1.492 24.954 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.007 4.650 22.538 1.00 0.00 H new ATOM 774 N GLY A 48 2.408 -2.475 22.543 1.00 0.00 N ATOM 775 CA GLY A 48 2.590 -3.833 22.956 1.00 0.00 C ATOM 776 C GLY A 48 3.817 -4.338 22.287 1.00 0.00 C ATOM 777 O GLY A 48 4.762 -3.584 22.059 1.00 0.00 O ATOM 0 H GLY A 48 3.226 -2.034 22.122 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.690 -3.895 24.040 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.726 -4.437 22.681 1.00 0.00 H new ATOM 781 N ASN A 49 3.812 -5.647 21.963 1.00 0.00 N ATOM 782 CA ASN A 49 4.878 -6.269 21.233 1.00 0.00 C ATOM 783 C ASN A 49 4.483 -6.259 19.798 1.00 0.00 C ATOM 784 O ASN A 49 3.306 -6.363 19.462 1.00 0.00 O ATOM 785 CB ASN A 49 5.107 -7.743 21.603 1.00 0.00 C ATOM 786 CG ASN A 49 5.965 -7.838 22.864 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.153 -8.496 22.692 1.00 0.00 O flip ATOM 788 ND2 ASN A 49 5.597 -7.364 23.943 1.00 0.00 N flip ATOM 0 H ASN A 49 3.055 -6.284 22.212 1.00 0.00 H new ATOM 0 HA ASN A 49 5.791 -5.718 21.460 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.150 -8.238 21.766 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.598 -8.261 20.779 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.700 -6.884 24.009 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.190 -7.453 24.768 1.00 0.00 H new ATOM 795 N LYS A 50 5.499 -6.173 18.915 1.00 0.00 N ATOM 796 CA LYS A 50 5.324 -6.129 17.490 1.00 0.00 C ATOM 797 C LYS A 50 5.245 -7.535 16.990 1.00 0.00 C ATOM 798 O LYS A 50 4.777 -7.797 15.881 1.00 0.00 O ATOM 799 CB LYS A 50 6.581 -5.499 16.845 1.00 0.00 C ATOM 800 CG LYS A 50 6.390 -4.627 15.595 1.00 0.00 C ATOM 801 CD LYS A 50 6.124 -5.326 14.265 1.00 0.00 C ATOM 802 CE LYS A 50 6.810 -4.636 13.081 1.00 0.00 C ATOM 803 NZ LYS A 50 8.279 -4.790 13.164 1.00 0.00 N ATOM 0 H LYS A 50 6.477 -6.133 19.202 1.00 0.00 H new ATOM 0 HA LYS A 50 4.429 -5.556 17.246 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.077 -4.892 17.603 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.265 -6.308 16.587 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.560 -3.947 15.786 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.283 -4.014 15.477 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.469 -6.358 14.327 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.049 -5.360 14.087 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.447 -5.062 12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.551 -3.577 13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.695 -4.664 12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.667 -4.075 13.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.509 -5.740 13.519 1.00 0.00 H new ATOM 817 N ARG A 51 5.717 -8.467 17.844 1.00 0.00 N ATOM 818 CA ARG A 51 5.683 -9.884 17.658 1.00 0.00 C ATOM 819 C ARG A 51 4.253 -10.290 17.749 1.00 0.00 C ATOM 820 O ARG A 51 3.784 -11.127 16.978 1.00 0.00 O ATOM 821 CB ARG A 51 6.431 -10.668 18.763 1.00 0.00 C ATOM 822 CG ARG A 51 7.959 -10.466 18.847 1.00 0.00 C ATOM 823 CD ARG A 51 8.418 -9.054 19.231 1.00 0.00 C ATOM 824 NE ARG A 51 9.863 -9.094 19.585 1.00 0.00 N ATOM 825 CZ ARG A 51 10.472 -7.978 20.081 1.00 0.00 C ATOM 826 NH1 ARG A 51 9.763 -6.823 20.247 1.00 0.00 N ATOM 827 NH2 ARG A 51 11.796 -8.016 20.412 1.00 0.00 N ATOM 0 H ARG A 51 6.154 -8.206 18.728 1.00 0.00 H new ATOM 0 HA ARG A 51 6.161 -10.107 16.704 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.999 -10.394 19.725 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.236 -11.730 18.617 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.362 -11.171 19.575 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.395 -10.721 17.881 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.252 -8.366 18.402 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.834 -8.684 20.074 1.00 0.00 H new ATOM 0 HE ARG A 51 10.397 -9.954 19.457 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.774 -6.792 20.000 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.222 -5.991 20.618 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.328 -8.877 20.288 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.253 -7.183 20.783 1.00 0.00 H new ATOM 841 N SER A 52 3.544 -9.670 18.714 1.00 0.00 N ATOM 842 CA SER A 52 2.157 -9.862 18.945 1.00 0.00 C ATOM 843 C SER A 52 1.329 -9.269 17.853 1.00 0.00 C ATOM 844 O SER A 52 0.368 -9.928 17.472 1.00 0.00 O ATOM 845 CB SER A 52 1.701 -9.327 20.303 1.00 0.00 C ATOM 846 OG SER A 52 2.300 -10.082 21.346 1.00 0.00 O ATOM 0 H SER A 52 3.967 -9.004 19.360 1.00 0.00 H new ATOM 0 HA SER A 52 2.005 -10.941 18.952 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.974 -8.276 20.400 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.615 -9.383 20.379 1.00 0.00 H new ATOM 0 HG SER A 52 2.005 -9.733 22.213 1.00 0.00 H new ATOM 852 N ILE A 53 1.661 -8.047 17.346 1.00 0.00 N ATOM 853 CA ILE A 53 0.948 -7.385 16.258 1.00 0.00 C ATOM 854 C ILE A 53 0.846 -8.269 15.050 1.00 0.00 C ATOM 855 O ILE A 53 -0.260 -8.559 14.588 1.00 0.00 O ATOM 856 CB ILE A 53 1.572 -6.059 15.817 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.497 -4.995 16.932 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.910 -5.511 14.531 1.00 0.00 C ATOM 859 CD1 ILE A 53 0.081 -4.488 17.197 1.00 0.00 C ATOM 0 H ILE A 53 2.447 -7.501 17.700 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.038 -7.175 16.672 1.00 0.00 H new ATOM 0 HB ILE A 53 2.620 -6.269 15.604 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.902 -5.416 17.852 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.132 -4.151 16.661 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.382 -4.569 14.252 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.033 -6.232 13.723 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.152 -5.345 14.711 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.104 -3.743 17.992 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.320 -4.037 16.289 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.553 -5.321 17.499 1.00 0.00 H new ATOM 871 N LYS A 54 2.014 -8.699 14.529 1.00 0.00 N ATOM 872 CA LYS A 54 2.142 -9.548 13.366 1.00 0.00 C ATOM 873 C LYS A 54 1.430 -10.860 13.560 1.00 0.00 C ATOM 874 O LYS A 54 0.730 -11.331 12.662 1.00 0.00 O ATOM 875 CB LYS A 54 3.608 -9.844 13.009 1.00 0.00 C ATOM 876 CG LYS A 54 3.793 -10.257 11.542 1.00 0.00 C ATOM 877 CD LYS A 54 5.268 -10.395 11.146 1.00 0.00 C ATOM 878 CE LYS A 54 5.458 -10.611 9.642 1.00 0.00 C ATOM 879 NZ LYS A 54 6.895 -10.743 9.323 1.00 0.00 N ATOM 0 H LYS A 54 2.915 -8.446 14.934 1.00 0.00 H new ATOM 0 HA LYS A 54 1.685 -8.992 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.212 -8.959 13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.981 -10.639 13.655 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.285 -11.206 11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.316 -9.518 10.898 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.807 -9.498 11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.709 -11.232 11.688 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.924 -11.507 9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.031 -9.774 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.011 -10.889 8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.395 -9.877 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.291 -11.556 9.836 1.00 0.00 H new ATOM 893 N ALA A 55 1.572 -11.464 14.769 1.00 0.00 N ATOM 894 CA ALA A 55 0.995 -12.744 15.084 1.00 0.00 C ATOM 895 C ALA A 55 -0.464 -12.705 15.451 1.00 0.00 C ATOM 896 O ALA A 55 -0.991 -13.728 15.889 1.00 0.00 O ATOM 897 CB ALA A 55 1.713 -13.445 16.247 1.00 0.00 C ATOM 0 H ALA A 55 2.098 -11.052 15.539 1.00 0.00 H new ATOM 0 HA ALA A 55 1.116 -13.292 14.150 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.237 -14.406 16.442 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.759 -13.605 15.985 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.653 -12.822 17.140 1.00 0.00 H new ATOM 903 N ILE A 56 -1.170 -11.560 15.253 1.00 0.00 N ATOM 904 CA ILE A 56 -2.605 -11.551 15.345 1.00 0.00 C ATOM 905 C ILE A 56 -3.111 -12.141 14.070 1.00 0.00 C ATOM 906 O ILE A 56 -4.143 -12.807 14.067 1.00 0.00 O ATOM 907 CB ILE A 56 -3.256 -10.186 15.545 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.737 -9.473 16.811 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.794 -10.317 15.626 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.696 -10.354 18.063 1.00 0.00 C ATOM 0 H ILE A 56 -0.751 -10.657 15.033 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.870 -12.113 16.241 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.985 -9.582 14.679 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.734 -9.095 16.615 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.370 -8.608 17.011 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.236 -9.331 15.769 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.171 -10.753 14.701 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.061 -10.959 16.465 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.319 -9.773 18.905 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.701 -10.711 18.290 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.039 -11.206 17.887 1.00 0.00 H new ATOM 922 N CYS A 57 -2.373 -11.932 12.954 1.00 0.00 N ATOM 923 CA CYS A 57 -2.793 -12.433 11.673 1.00 0.00 C ATOM 924 C CYS A 57 -2.172 -13.761 11.373 1.00 0.00 C ATOM 925 O CYS A 57 -2.346 -14.302 10.282 1.00 0.00 O ATOM 926 CB CYS A 57 -2.526 -11.471 10.522 1.00 0.00 C ATOM 927 SG CYS A 57 -3.420 -9.932 10.804 1.00 0.00 S ATOM 0 H CYS A 57 -1.491 -11.419 12.940 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.874 -12.546 11.753 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.457 -11.273 10.440 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.840 -11.919 9.579 1.00 0.00 H new ATOM 932 N GLU A 58 -1.477 -14.339 12.372 1.00 0.00 N ATOM 933 CA GLU A 58 -1.227 -15.746 12.414 1.00 0.00 C ATOM 934 C GLU A 58 -2.369 -16.318 13.187 1.00 0.00 C ATOM 935 O GLU A 58 -3.187 -15.599 13.761 1.00 0.00 O ATOM 936 CB GLU A 58 0.083 -16.113 13.136 1.00 0.00 C ATOM 937 CG GLU A 58 1.326 -15.622 12.387 1.00 0.00 C ATOM 938 CD GLU A 58 2.552 -15.972 13.217 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.751 -17.182 13.502 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.308 -15.029 13.575 1.00 0.00 O ATOM 0 H GLU A 58 -1.085 -13.823 13.159 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.132 -16.131 11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.074 -15.684 14.138 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.138 -17.195 13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.387 -16.089 11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.271 -14.545 12.225 1.00 0.00 H new ATOM 947 N ASN A 59 -2.427 -17.661 13.240 1.00 0.00 N ATOM 948 CA ASN A 59 -3.479 -18.381 13.905 1.00 0.00 C ATOM 949 C ASN A 59 -3.192 -18.549 15.372 1.00 0.00 C ATOM 950 O ASN A 59 -3.968 -19.194 16.078 1.00 0.00 O ATOM 951 CB ASN A 59 -3.718 -19.786 13.297 1.00 0.00 C ATOM 952 CG ASN A 59 -2.511 -20.713 13.499 1.00 0.00 C ATOM 953 OD1 ASN A 59 -1.464 -20.537 12.636 1.00 0.00 O flip ATOM 954 ND2 ASN A 59 -2.521 -21.589 14.373 1.00 0.00 N flip ATOM 0 H ASN A 59 -1.727 -18.266 12.811 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.375 -17.777 13.765 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.600 -20.234 13.755 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.927 -19.689 12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.325 -21.681 14.993 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.725 -22.219 14.473 1.00 0.00 H new ATOM 961 N LYS A 60 -2.057 -17.993 15.851 1.00 0.00 N ATOM 962 CA LYS A 60 -1.570 -18.223 17.175 1.00 0.00 C ATOM 963 C LYS A 60 -2.328 -17.426 18.176 1.00 0.00 C ATOM 964 O LYS A 60 -2.923 -17.985 19.097 1.00 0.00 O ATOM 965 CB LYS A 60 -0.067 -17.907 17.330 1.00 0.00 C ATOM 966 CG LYS A 60 0.840 -18.652 16.332 1.00 0.00 C ATOM 967 CD LYS A 60 0.756 -20.187 16.379 1.00 0.00 C ATOM 968 CE LYS A 60 1.194 -20.796 17.716 1.00 0.00 C ATOM 969 NZ LYS A 60 1.138 -22.272 17.642 1.00 0.00 N ATOM 0 H LYS A 60 -1.467 -17.369 15.301 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.716 -19.288 17.356 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.082 -16.834 17.208 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.243 -18.159 18.344 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.589 -18.323 15.324 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.873 -18.356 16.516 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.270 -20.491 16.172 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.377 -20.599 15.583 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.207 -20.474 17.957 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.547 -20.439 18.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.436 -22.677 18.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.165 -22.572 17.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.773 -22.606 16.890 1.00 0.00 H new ATOM 983 N ASN A 61 -2.290 -16.096 18.018 1.00 0.00 N ATOM 984 CA ASN A 61 -2.883 -15.212 18.979 1.00 0.00 C ATOM 985 C ASN A 61 -4.297 -14.984 18.598 1.00 0.00 C ATOM 986 O ASN A 61 -5.198 -15.077 19.428 1.00 0.00 O ATOM 987 CB ASN A 61 -2.242 -13.817 19.042 1.00 0.00 C ATOM 988 CG ASN A 61 -0.775 -13.896 19.459 1.00 0.00 C ATOM 989 OD1 ASN A 61 -0.265 -14.915 19.936 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.086 -12.731 19.263 1.00 0.00 N ATOM 0 H ASN A 61 -1.850 -15.627 17.226 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.748 -15.698 19.945 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.319 -13.335 18.067 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.790 -13.195 19.750 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.901 -12.673 19.515 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.559 -11.920 18.865 1.00 0.00 H new ATOM 997 N GLY A 62 -4.499 -14.642 17.317 1.00 0.00 N ATOM 998 CA GLY A 62 -5.768 -14.158 16.864 1.00 0.00 C ATOM 999 C GLY A 62 -6.511 -15.281 16.233 1.00 0.00 C ATOM 1000 O GLY A 62 -5.915 -16.172 15.629 1.00 0.00 O ATOM 0 H GLY A 62 -3.785 -14.699 16.591 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.337 -13.751 17.700 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.629 -13.348 16.148 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.853 -15.232 16.368 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.733 -16.214 15.805 1.00 0.00 C ATOM 1006 C ASN A 63 -9.333 -15.552 14.599 1.00 0.00 C ATOM 1007 O ASN A 63 -9.352 -14.321 14.578 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.843 -16.675 16.785 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.683 -15.505 17.307 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.737 -15.171 16.751 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.211 -14.902 18.441 1.00 0.00 N ATOM 0 H ASN A 63 -8.336 -14.494 16.880 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.183 -17.123 15.562 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.494 -17.390 16.282 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.387 -17.196 17.627 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.735 -14.138 18.868 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.335 -15.217 18.859 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.820 -16.274 13.597 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.386 -15.681 12.418 1.00 0.00 C ATOM 1020 C PRO A 64 -11.724 -15.129 12.787 1.00 0.00 C ATOM 1021 O PRO A 64 -12.568 -15.848 13.319 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.485 -16.815 11.393 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.393 -18.103 12.214 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.547 -17.689 13.416 1.00 0.00 C ATOM 0 HA PRO A 64 -9.796 -14.864 12.002 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.423 -16.766 10.840 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.680 -16.756 10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.378 -18.459 12.518 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.924 -18.908 11.649 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.817 -18.260 14.304 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.487 -17.866 13.233 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.898 -13.827 12.495 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.079 -13.088 12.798 1.00 0.00 C ATOM 1034 C HIS A 65 -13.635 -12.649 11.488 1.00 0.00 C ATOM 1035 O HIS A 65 -12.954 -11.962 10.732 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.747 -11.830 13.626 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.849 -10.816 13.698 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.052 -11.053 14.306 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -13.881 -9.548 13.227 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.793 -9.959 14.200 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.105 -9.030 13.550 1.00 0.00 N ATOM 0 H HIS A 65 -11.184 -13.268 12.028 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.773 -13.701 13.373 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.488 -12.137 14.639 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.863 -11.355 13.201 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.089 -9.040 12.696 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.797 -9.843 14.582 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.433 -8.090 13.329 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.908 -13.024 11.230 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.713 -12.518 10.149 1.00 0.00 C ATOM 1052 C ARG A 66 -15.178 -12.930 8.802 1.00 0.00 C ATOM 1053 O ARG A 66 -15.319 -14.087 8.408 1.00 0.00 O ATOM 1054 CB ARG A 66 -15.970 -10.995 10.260 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.160 -10.479 9.433 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.418 -8.983 9.642 1.00 0.00 C ATOM 1057 NE ARG A 66 -17.793 -8.776 11.071 1.00 0.00 N ATOM 1058 CZ ARG A 66 -17.929 -7.521 11.589 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -17.734 -6.424 10.800 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -18.260 -7.364 12.904 1.00 0.00 N ATOM 0 H ARG A 66 -15.399 -13.712 11.801 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.692 -12.987 10.242 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.138 -10.745 11.307 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.071 -10.465 9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.972 -10.667 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.055 -11.039 9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.528 -8.404 9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.216 -8.638 8.985 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.950 -9.586 11.671 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.485 -6.540 9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.837 -5.488 11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.405 -8.183 13.495 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.363 -6.428 13.296 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.580 -11.976 8.054 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.141 -12.177 6.708 1.00 0.00 C ATOM 1076 C GLU A 67 -12.846 -11.451 6.609 1.00 0.00 C ATOM 1077 O GLU A 67 -12.818 -10.246 6.361 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.075 -11.577 5.636 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.401 -12.330 5.471 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.212 -11.634 4.388 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.736 -11.592 3.222 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.322 -11.135 4.714 1.00 0.00 O ATOM 0 H GLU A 67 -14.398 -11.035 8.402 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.097 -13.249 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.288 -10.540 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.553 -11.567 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.217 -13.369 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.952 -12.340 6.411 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.749 -12.219 6.801 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.352 -11.847 6.690 1.00 0.00 C ATOM 1091 C ASN A 68 -9.944 -10.752 7.635 1.00 0.00 C ATOM 1092 O ASN A 68 -9.092 -9.923 7.323 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.786 -11.638 5.247 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.491 -10.561 4.405 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.374 -10.882 3.601 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.072 -9.272 4.582 1.00 0.00 N ATOM 0 H ASN A 68 -11.847 -13.201 7.060 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.854 -12.760 7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.730 -11.379 5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.843 -12.586 4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.492 -8.520 4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.339 -9.063 5.260 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.531 -10.758 8.847 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.116 -9.897 9.911 1.00 0.00 C ATOM 1105 C LEU A 69 -9.674 -10.880 10.924 1.00 0.00 C ATOM 1106 O LEU A 69 -9.984 -12.063 10.792 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.255 -9.053 10.518 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.080 -8.234 9.498 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.310 -7.603 10.175 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.241 -7.164 8.781 1.00 0.00 C ATOM 0 H LEU A 69 -11.308 -11.372 9.092 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.378 -9.170 9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.930 -9.717 11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.828 -8.368 11.250 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.419 -8.932 8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.877 -7.031 9.440 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.941 -8.390 10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.984 -6.941 10.977 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.870 -6.620 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.833 -6.469 9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.424 -7.643 8.242 1.00 0.00 H new ATOM 1122 N ARG A 70 -8.943 -10.430 11.958 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.612 -11.314 13.038 1.00 0.00 C ATOM 1124 C ARG A 70 -8.625 -10.473 14.253 1.00 0.00 C ATOM 1125 O ARG A 70 -7.978 -9.422 14.318 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.259 -12.059 12.985 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.249 -13.190 11.948 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.278 -14.334 12.244 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.648 -15.499 11.388 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.240 -15.603 10.087 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -5.470 -14.637 9.511 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.619 -16.692 9.353 1.00 0.00 N ATOM 0 H ARG A 70 -8.587 -9.479 12.050 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.343 -12.122 12.998 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.466 -11.349 12.750 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.037 -12.471 13.969 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.256 -13.600 11.871 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.002 -12.767 10.974 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.253 -14.024 12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.325 -14.608 13.298 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.223 -16.241 11.786 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.189 -13.819 10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.175 -14.732 8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.200 -17.416 9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.321 -16.781 8.382 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.395 -10.962 15.242 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.542 -10.308 16.497 1.00 0.00 C ATOM 1148 C ILE A 71 -8.541 -10.973 17.381 1.00 0.00 C ATOM 1149 O ILE A 71 -8.404 -12.196 17.376 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.972 -10.373 17.018 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.200 -9.415 18.200 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.414 -11.810 17.359 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.689 -9.170 18.464 1.00 0.00 C ATOM 0 H ILE A 71 -9.925 -11.830 15.164 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.356 -9.236 16.438 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.609 -10.036 16.200 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.737 -9.828 19.096 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.707 -8.464 17.996 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.440 -11.798 17.726 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.355 -12.431 16.465 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.759 -12.219 18.128 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.802 -8.488 19.307 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.148 -8.731 17.578 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.178 -10.116 18.695 1.00 0.00 H new ATOM 1165 N SER A 72 -7.785 -10.153 18.134 1.00 0.00 N ATOM 1166 CA SER A 72 -6.691 -10.645 18.918 1.00 0.00 C ATOM 1167 C SER A 72 -7.170 -11.206 20.213 1.00 0.00 C ATOM 1168 O SER A 72 -8.265 -10.894 20.680 1.00 0.00 O ATOM 1169 CB SER A 72 -5.664 -9.561 19.267 1.00 0.00 C ATOM 1170 OG SER A 72 -6.211 -8.574 20.118 1.00 0.00 O ATOM 0 H SER A 72 -7.931 -9.146 18.201 1.00 0.00 H new ATOM 0 HA SER A 72 -6.221 -11.407 18.296 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.801 -10.020 19.750 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.305 -9.092 18.351 1.00 0.00 H new ATOM 0 HG SER A 72 -5.494 -7.993 20.448 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.314 -12.051 20.827 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.540 -12.542 22.153 1.00 0.00 C ATOM 1178 C LYS A 73 -5.367 -12.118 22.973 1.00 0.00 C ATOM 1179 O LYS A 73 -5.332 -12.377 24.175 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.656 -14.077 22.263 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.841 -14.690 21.494 1.00 0.00 C ATOM 1182 CD LYS A 73 -9.236 -14.234 21.960 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.575 -14.575 23.418 1.00 0.00 C ATOM 1184 NZ LYS A 73 -9.525 -16.036 23.639 1.00 0.00 N ATOM 0 H LYS A 73 -5.456 -12.396 20.396 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.495 -12.138 22.489 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.732 -14.525 21.897 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.745 -14.346 23.315 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.732 -14.446 20.437 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.785 -15.775 21.578 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.312 -13.155 21.828 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.986 -14.688 21.312 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.872 -14.077 24.086 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.568 -14.199 23.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.855 -16.253 24.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.137 -16.513 22.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.547 -16.371 23.525 1.00 0.00 H new ATOM 1198 N SER A 74 -4.376 -11.441 22.343 1.00 0.00 N ATOM 1199 CA SER A 74 -3.267 -10.881 23.036 1.00 0.00 C ATOM 1200 C SER A 74 -3.542 -9.421 23.024 1.00 0.00 C ATOM 1201 O SER A 74 -2.955 -8.697 22.224 1.00 0.00 O ATOM 1202 CB SER A 74 -1.951 -11.138 22.294 1.00 0.00 C ATOM 1203 OG SER A 74 -1.584 -12.503 22.421 1.00 0.00 O ATOM 0 H SER A 74 -4.355 -11.286 21.335 1.00 0.00 H new ATOM 0 HA SER A 74 -3.159 -11.310 24.032 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.060 -10.878 21.241 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.164 -10.502 22.699 1.00 0.00 H new ATOM 0 HG SER A 74 -0.743 -12.661 21.943 1.00 0.00 H new ATOM 1209 N SER A 75 -4.466 -8.990 23.908 1.00 0.00 N ATOM 1210 CA SER A 75 -4.983 -7.649 24.003 1.00 0.00 C ATOM 1211 C SER A 75 -3.903 -6.653 24.280 1.00 0.00 C ATOM 1212 O SER A 75 -2.988 -6.895 25.066 1.00 0.00 O ATOM 1213 CB SER A 75 -6.054 -7.520 25.096 1.00 0.00 C ATOM 1214 OG SER A 75 -5.574 -8.065 26.315 1.00 0.00 O ATOM 0 H SER A 75 -4.879 -9.615 24.600 1.00 0.00 H new ATOM 0 HA SER A 75 -5.431 -7.438 23.032 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.318 -6.472 25.236 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.962 -8.039 24.789 1.00 0.00 H new ATOM 0 HG SER A 75 -5.352 -7.338 26.934 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.995 -5.504 23.579 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.918 -4.561 23.504 1.00 0.00 C ATOM 1222 C PHE A 76 -3.400 -3.363 24.212 1.00 0.00 C ATOM 1223 O PHE A 76 -4.603 -3.175 24.368 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.588 -4.095 22.064 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.130 -5.216 21.180 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.068 -6.049 20.607 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.790 -5.397 20.858 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.680 -7.086 19.802 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.389 -6.439 20.035 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.348 -7.306 19.545 1.00 0.00 C ATOM 0 H PHE A 76 -4.827 -5.227 23.058 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.024 -5.032 23.913 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.472 -3.631 21.626 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.813 -3.330 22.104 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.118 -5.882 20.795 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.051 -4.717 21.254 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.425 -7.735 19.366 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.653 -6.571 19.782 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.049 -8.161 18.957 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.455 -2.519 24.661 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.823 -1.270 25.239 1.00 0.00 C ATOM 1242 C GLN A 77 -3.107 -0.365 24.106 1.00 0.00 C ATOM 1243 O GLN A 77 -2.408 -0.407 23.103 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.745 -0.660 26.151 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.962 -1.607 27.065 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.329 -0.725 28.138 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.815 -0.274 28.017 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.140 -0.475 29.212 1.00 0.00 N ATOM 0 H GLN A 77 -1.452 -2.699 24.624 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.684 -1.419 25.890 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.028 -0.137 25.518 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.224 0.091 26.779 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.620 -2.353 27.511 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.200 -2.149 26.505 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.076 -0.879 29.250 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.809 0.116 29.975 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.170 0.455 24.211 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.598 1.220 23.077 1.00 0.00 C ATOM 1259 C VAL A 78 -5.064 2.555 23.568 1.00 0.00 C ATOM 1260 O VAL A 78 -6.145 2.677 24.141 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.721 0.571 22.288 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -5.066 -0.308 21.213 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -6.684 -0.243 23.172 1.00 0.00 C ATOM 0 H VAL A 78 -4.722 0.588 25.058 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.748 1.298 22.400 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.342 1.344 21.836 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.840 -0.795 20.620 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.448 0.312 20.563 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.444 -1.065 21.691 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.465 -0.682 22.551 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.132 -1.036 23.676 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.138 0.413 23.915 1.00 0.00 H new ATOM 1273 N THR A 79 -4.250 3.603 23.333 1.00 0.00 N ATOM 1274 CA THR A 79 -4.615 4.941 23.700 1.00 0.00 C ATOM 1275 C THR A 79 -5.144 5.546 22.448 1.00 0.00 C ATOM 1276 O THR A 79 -4.388 5.858 21.528 1.00 0.00 O ATOM 1277 CB THR A 79 -3.471 5.753 24.255 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.999 5.132 25.441 1.00 0.00 O ATOM 1279 CG2 THR A 79 -3.923 7.185 24.593 1.00 0.00 C ATOM 0 H THR A 79 -3.336 3.524 22.887 1.00 0.00 H new ATOM 0 HA THR A 79 -5.344 4.927 24.510 1.00 0.00 H new ATOM 0 HB THR A 79 -2.684 5.803 23.503 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.298 4.486 25.215 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.079 7.748 24.991 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.292 7.673 23.691 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.719 7.149 25.337 1.00 0.00 H new ATOM 1287 N THR A 80 -6.479 5.705 22.404 1.00 0.00 N ATOM 1288 CA THR A 80 -7.156 6.199 21.248 1.00 0.00 C ATOM 1289 C THR A 80 -7.164 7.683 21.348 1.00 0.00 C ATOM 1290 O THR A 80 -7.832 8.237 22.216 1.00 0.00 O ATOM 1291 CB THR A 80 -8.574 5.691 21.165 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.575 4.278 21.305 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.193 6.063 19.810 1.00 0.00 C ATOM 0 H THR A 80 -7.098 5.487 23.185 1.00 0.00 H new ATOM 0 HA THR A 80 -6.642 5.855 20.351 1.00 0.00 H new ATOM 0 HB THR A 80 -9.161 6.146 21.963 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.495 3.945 21.253 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.216 5.691 19.763 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.196 7.147 19.697 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.607 5.616 19.007 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.425 8.364 20.448 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.466 9.794 20.423 1.00 0.00 C ATOM 1303 C CYS A 81 -7.578 10.095 19.496 1.00 0.00 C ATOM 1304 O CYS A 81 -7.519 9.747 18.318 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.206 10.455 19.839 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.720 9.977 20.741 1.00 0.00 S ATOM 0 H CYS A 81 -5.813 7.935 19.754 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.565 10.171 21.441 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.101 10.175 18.791 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.317 11.539 19.869 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.630 10.732 20.031 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.796 10.990 19.255 1.00 0.00 C ATOM 1313 C LYS A 82 -9.925 12.463 19.307 1.00 0.00 C ATOM 1314 O LYS A 82 -9.626 13.077 20.328 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.063 10.333 19.823 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.231 10.343 18.830 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.440 9.560 19.349 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.598 9.495 18.350 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.172 8.807 17.112 1.00 0.00 N ATOM 0 H LYS A 82 -8.673 11.066 20.994 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.697 10.581 18.250 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.839 9.304 20.104 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.361 10.854 20.733 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.526 11.373 18.630 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.903 9.916 17.882 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.127 8.546 19.597 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.792 10.020 20.272 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.442 8.967 18.795 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.941 10.503 18.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.009 8.559 16.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.556 9.437 16.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.651 7.941 17.358 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.344 13.053 18.178 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.367 14.472 17.999 1.00 0.00 C ATOM 1335 C LEU A 83 -11.597 14.987 18.672 1.00 0.00 C ATOM 1336 O LEU A 83 -12.724 14.767 18.231 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.431 14.807 16.490 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.439 16.291 16.058 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -9.103 16.996 16.342 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.779 16.377 14.558 1.00 0.00 C ATOM 0 H LEU A 83 -10.676 12.532 17.366 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.471 14.927 18.421 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.579 14.327 16.009 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.329 14.340 16.086 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.196 16.807 16.648 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.164 18.035 16.019 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.893 16.960 17.411 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.303 16.493 15.798 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.787 17.421 14.246 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.030 15.832 13.983 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.761 15.939 14.382 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.352 15.708 19.776 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.333 16.393 20.552 1.00 0.00 C ATOM 1354 C HIS A 84 -12.352 17.778 19.994 1.00 0.00 C ATOM 1355 O HIS A 84 -11.371 18.222 19.403 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.884 16.398 22.024 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.598 17.343 22.935 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -13.932 17.267 23.233 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -12.082 18.363 23.655 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -14.215 18.224 24.107 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.108 18.904 24.381 1.00 0.00 N ATOM 0 H HIS A 84 -10.410 15.819 20.150 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.320 15.933 20.513 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.000 15.389 22.420 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.820 16.632 22.055 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.053 18.690 23.657 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.190 18.419 24.528 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.035 19.694 25.022 1.00 0.00 H new ATOM 1370 N GLY A 85 -13.487 18.491 20.149 1.00 0.00 N ATOM 1371 CA GLY A 85 -13.634 19.803 19.584 1.00 0.00 C ATOM 1372 C GLY A 85 -14.222 19.642 18.226 1.00 0.00 C ATOM 1373 O GLY A 85 -15.442 19.648 18.063 1.00 0.00 O ATOM 0 H GLY A 85 -14.302 18.160 20.665 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.278 20.420 20.210 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.669 20.306 19.527 1.00 0.00 H new ATOM 1377 N GLY A 86 -13.334 19.496 17.225 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.721 19.306 15.860 1.00 0.00 C ATOM 1379 C GLY A 86 -13.112 20.394 15.051 1.00 0.00 C ATOM 1380 O GLY A 86 -13.735 20.897 14.117 1.00 0.00 O ATOM 0 H GLY A 86 -12.324 19.510 17.367 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.386 18.332 15.502 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.807 19.324 15.766 1.00 0.00 H new ATOM 1384 N SER A 87 -11.864 20.759 15.400 1.00 0.00 N ATOM 1385 CA SER A 87 -11.048 21.634 14.604 1.00 0.00 C ATOM 1386 C SER A 87 -10.469 20.779 13.507 1.00 0.00 C ATOM 1387 O SER A 87 -9.860 19.763 13.836 1.00 0.00 O ATOM 1388 CB SER A 87 -9.891 22.248 15.415 1.00 0.00 C ATOM 1389 OG SER A 87 -9.267 21.263 16.225 1.00 0.00 O ATOM 0 H SER A 87 -11.409 20.440 16.255 1.00 0.00 H new ATOM 0 HA SER A 87 -11.651 22.461 14.230 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.158 22.686 14.738 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.269 23.056 16.042 1.00 0.00 H new ATOM 0 HG SER A 87 -9.206 20.421 15.728 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.596 21.096 12.218 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.050 20.247 11.194 1.00 0.00 C ATOM 1397 C PRO A 88 -8.610 20.606 11.004 1.00 0.00 C ATOM 1398 O PRO A 88 -7.894 19.805 10.414 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.795 20.614 9.907 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.042 21.370 10.367 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.600 22.003 11.685 1.00 0.00 C ATOM 0 HA PRO A 88 -10.145 19.191 11.446 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.177 21.233 9.257 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.062 19.723 9.339 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.347 22.123 9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.890 20.700 10.507 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.188 22.999 11.526 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.439 22.111 12.372 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.190 21.813 11.431 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.913 22.352 11.079 1.00 0.00 C ATOM 1411 C TRP A 89 -6.065 22.366 12.307 1.00 0.00 C ATOM 1412 O TRP A 89 -6.635 22.297 13.394 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.082 23.782 10.542 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.011 23.773 9.358 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.303 24.203 9.270 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.715 23.104 8.122 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.819 23.877 8.037 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.856 23.185 7.328 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.593 22.449 7.695 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.891 22.614 6.088 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.635 21.847 6.456 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.766 21.931 5.663 1.00 0.00 C ATOM 0 H TRP A 89 -8.747 22.423 12.030 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.445 21.745 10.304 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.480 24.430 11.323 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.113 24.189 10.253 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.840 24.721 10.051 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.755 24.107 7.703 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.705 22.405 8.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.767 22.693 5.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.773 21.302 6.099 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.770 21.454 4.694 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.740 22.449 12.201 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.870 22.472 13.344 1.00 0.00 C ATOM 1435 C PRO A 90 -4.021 23.839 13.981 1.00 0.00 C ATOM 1436 O PRO A 90 -4.124 24.796 13.213 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.453 22.287 12.784 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.569 22.587 11.288 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.009 22.197 10.972 1.00 0.00 C ATOM 0 HA PRO A 90 -4.089 21.704 14.086 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.748 22.963 13.267 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.091 21.273 12.955 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.378 23.638 11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.856 22.006 10.703 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.407 22.788 10.147 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.080 21.150 10.677 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.020 24.029 15.294 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.796 23.006 16.275 1.00 0.00 C ATOM 1449 C PRO A 91 -5.067 22.268 16.502 1.00 0.00 C ATOM 1450 O PRO A 91 -6.153 22.775 16.221 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.452 23.725 17.566 1.00 0.00 C ATOM 1452 CG PRO A 91 -2.983 25.101 17.117 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.775 25.350 15.835 1.00 0.00 C ATOM 0 HA PRO A 91 -3.014 22.317 15.956 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.317 23.795 18.225 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.673 23.200 18.118 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.191 25.861 17.870 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.909 25.118 16.934 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.709 25.873 16.041 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.212 25.967 15.135 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.898 21.058 17.040 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.968 20.128 17.239 1.00 0.00 C ATOM 1463 C CYS A 92 -6.186 20.062 18.710 1.00 0.00 C ATOM 1464 O CYS A 92 -5.380 20.574 19.483 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.626 18.700 16.770 1.00 0.00 C ATOM 1466 SG CYS A 92 -4.974 18.626 15.074 1.00 0.00 S ATOM 0 H CYS A 92 -3.991 20.708 17.349 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.832 20.465 16.667 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.892 18.269 17.451 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.521 18.082 16.833 1.00 0.00 H new ATOM 1471 N GLN A 93 -7.282 19.400 19.124 1.00 0.00 N ATOM 1472 CA GLN A 93 -7.475 19.039 20.499 1.00 0.00 C ATOM 1473 C GLN A 93 -7.712 17.572 20.465 1.00 0.00 C ATOM 1474 O GLN A 93 -8.751 17.130 19.989 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.712 19.675 21.157 1.00 0.00 C ATOM 1476 CG GLN A 93 -8.605 21.186 21.368 1.00 0.00 C ATOM 1477 CD GLN A 93 -9.895 21.637 22.050 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -10.985 21.560 21.471 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -9.748 22.112 23.324 1.00 0.00 N ATOM 0 H GLN A 93 -8.039 19.112 18.504 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.613 19.374 21.075 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.585 19.467 20.539 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.883 19.196 22.121 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.739 21.428 21.984 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.473 21.699 20.416 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.822 22.152 23.750 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.564 22.427 23.848 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.746 16.778 20.964 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.914 15.354 21.017 1.00 0.00 C ATOM 1490 C TYR A 94 -7.165 14.987 22.431 1.00 0.00 C ATOM 1491 O TYR A 94 -6.278 15.117 23.274 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.657 14.580 20.607 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.576 14.665 19.133 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.487 13.962 18.378 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.625 15.441 18.505 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.471 14.046 17.007 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.612 15.538 17.132 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.525 14.831 16.386 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.426 14.854 14.987 1.00 0.00 O ATOM 0 H TYR A 94 -5.855 17.116 21.328 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.724 15.101 20.332 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.768 15.009 21.070 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.717 13.542 20.933 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.221 13.339 18.868 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.890 15.973 19.091 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.195 13.500 16.420 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.885 16.169 16.641 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.100 14.257 14.601 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.386 14.490 22.702 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.697 13.944 23.991 1.00 0.00 C ATOM 1511 C ARG A 95 -8.337 12.497 23.927 1.00 0.00 C ATOM 1512 O ARG A 95 -8.801 11.776 23.044 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.185 14.085 24.366 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.517 13.626 25.794 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.953 13.958 26.201 1.00 0.00 C ATOM 1516 NE ARG A 95 -12.135 13.510 27.611 1.00 0.00 N ATOM 1517 CZ ARG A 95 -13.297 13.766 28.281 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -14.318 14.427 27.661 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -13.437 13.359 29.577 1.00 0.00 N ATOM 0 H ARG A 95 -9.156 14.465 22.033 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.142 14.488 24.755 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.480 15.128 24.253 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.783 13.507 23.662 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.361 12.550 25.871 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.827 14.099 26.493 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.139 15.028 26.112 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.663 13.455 25.544 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.383 13.006 28.081 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.215 14.732 26.693 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.184 14.616 28.166 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.675 12.865 30.042 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.304 13.549 30.080 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.492 12.052 24.880 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.105 10.675 24.961 1.00 0.00 C ATOM 1535 C ALA A 96 -8.197 9.909 25.625 1.00 0.00 C ATOM 1536 O ALA A 96 -8.609 10.230 26.739 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.869 10.444 25.841 1.00 0.00 C ATOM 0 H ALA A 96 -7.077 12.649 25.596 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.895 10.360 23.939 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.629 9.381 25.860 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.024 10.999 25.434 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.075 10.788 26.855 1.00 0.00 H new ATOM 1543 N THR A 97 -8.658 8.847 24.938 1.00 0.00 N ATOM 1544 CA THR A 97 -9.529 7.863 25.501 1.00 0.00 C ATOM 1545 C THR A 97 -8.630 6.683 25.682 1.00 0.00 C ATOM 1546 O THR A 97 -8.508 5.835 24.798 1.00 0.00 O ATOM 1547 CB THR A 97 -10.696 7.533 24.600 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.366 8.735 24.251 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.685 6.598 25.322 1.00 0.00 C ATOM 0 H THR A 97 -8.417 8.669 23.963 1.00 0.00 H new ATOM 0 HA THR A 97 -9.995 8.203 26.426 1.00 0.00 H new ATOM 0 HB THR A 97 -10.323 7.033 23.706 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.124 8.529 23.665 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.520 6.370 24.659 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.177 5.674 25.597 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.059 7.088 26.221 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.950 6.640 26.846 1.00 0.00 N ATOM 1558 CA ALA A 98 -6.972 5.632 27.127 1.00 0.00 C ATOM 1559 C ALA A 98 -7.684 4.400 27.565 1.00 0.00 C ATOM 1560 O ALA A 98 -8.536 4.446 28.450 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.003 6.041 28.243 1.00 0.00 C ATOM 0 H ALA A 98 -8.081 7.313 27.601 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.390 5.475 26.219 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.285 5.239 28.413 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.473 6.947 27.950 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.562 6.228 29.160 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.341 3.260 26.933 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.009 2.033 27.236 1.00 0.00 C ATOM 1569 C GLY A 99 -7.045 0.928 26.988 1.00 0.00 C ATOM 1570 O GLY A 99 -5.845 1.148 26.831 1.00 0.00 O ATOM 0 H GLY A 99 -6.612 3.189 26.223 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.344 2.024 28.273 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.896 1.915 26.614 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.577 -0.303 26.961 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.777 -1.477 26.814 1.00 0.00 C ATOM 1576 C PHE A 100 -7.760 -2.467 26.277 1.00 0.00 C ATOM 1577 O PHE A 100 -8.729 -2.811 26.952 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.202 -1.923 28.182 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.455 -3.211 28.101 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.135 -3.219 27.704 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -6.045 -4.396 28.502 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.432 -4.404 27.644 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.336 -5.579 28.466 1.00 0.00 C ATOM 1584 CZ PHE A 100 -4.028 -5.586 28.027 1.00 0.00 C ATOM 0 H PHE A 100 -8.577 -0.488 27.042 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.907 -1.345 26.170 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.539 -1.147 28.563 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.017 -2.025 28.898 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.649 -2.292 27.438 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.069 -4.395 28.846 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.410 -4.406 27.295 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.805 -6.499 28.781 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.474 -6.512 27.984 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.551 -2.913 25.021 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.553 -3.665 24.326 1.00 0.00 C ATOM 1596 C ARG A 101 -7.849 -4.496 23.301 1.00 0.00 C ATOM 1597 O ARG A 101 -6.752 -4.172 22.849 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.565 -2.772 23.568 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.955 -3.401 23.369 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.810 -2.631 22.353 1.00 0.00 C ATOM 1601 NE ARG A 101 -13.180 -3.226 22.298 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.482 -4.316 21.531 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -12.530 -4.932 20.773 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.763 -4.788 21.513 1.00 0.00 N ATOM 0 H ARG A 101 -6.694 -2.754 24.491 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.105 -4.249 25.063 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.680 -1.834 24.112 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.150 -2.525 22.591 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.839 -4.432 23.034 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.476 -3.434 24.326 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.870 -1.580 22.635 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.346 -2.670 21.368 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.920 -2.801 22.856 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.573 -4.580 20.772 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.775 -5.744 20.207 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.484 -4.328 22.069 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.999 -5.601 20.944 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.511 -5.597 22.908 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.099 -6.437 21.828 1.00 0.00 C ATOM 1620 C ASN A 102 -8.425 -5.749 20.535 1.00 0.00 C ATOM 1621 O ASN A 102 -9.469 -5.115 20.388 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.766 -7.829 21.886 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.253 -7.760 22.251 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.646 -7.527 23.399 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.099 -8.041 21.215 1.00 0.00 N ATOM 0 H ASN A 102 -9.368 -5.915 23.361 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.025 -6.603 21.906 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.656 -8.320 20.919 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.245 -8.446 22.618 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.107 -8.065 21.372 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.723 -8.226 20.285 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.486 -5.862 19.574 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.547 -5.173 18.316 1.00 0.00 C ATOM 1634 C VAL A 103 -8.209 -6.085 17.327 1.00 0.00 C ATOM 1635 O VAL A 103 -8.044 -7.298 17.409 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.171 -4.769 17.795 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.524 -3.781 18.787 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.251 -5.991 17.588 1.00 0.00 C ATOM 0 H VAL A 103 -6.659 -6.450 19.674 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.110 -4.250 18.456 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.301 -4.294 16.823 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.540 -3.489 18.420 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.153 -2.896 18.882 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.420 -4.259 19.761 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.282 -5.658 17.216 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.117 -6.510 18.537 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.704 -6.669 16.864 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.958 -5.517 16.353 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.381 -6.264 15.196 1.00 0.00 C ATOM 1650 C VAL A 104 -8.532 -5.724 14.100 1.00 0.00 C ATOM 1651 O VAL A 104 -8.875 -4.710 13.495 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.839 -6.073 14.817 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.169 -6.751 13.469 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.691 -6.739 15.899 1.00 0.00 C ATOM 0 H VAL A 104 -9.269 -4.546 16.366 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.279 -7.332 15.390 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.041 -5.006 14.727 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.221 -6.593 13.230 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.550 -6.319 12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.970 -7.820 13.541 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.747 -6.619 15.656 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.449 -7.800 15.951 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.485 -6.272 16.862 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.398 -6.392 13.818 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.541 -5.915 12.758 1.00 0.00 C ATOM 1666 C VAL A 105 -7.020 -6.648 11.541 1.00 0.00 C ATOM 1667 O VAL A 105 -7.295 -7.846 11.609 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.055 -6.066 12.972 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.636 -5.018 14.015 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.639 -7.467 13.429 1.00 0.00 C ATOM 0 H VAL A 105 -7.076 -7.232 14.299 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.626 -4.831 12.682 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.552 -5.914 12.017 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.564 -5.095 14.198 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.870 -4.021 13.643 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.176 -5.194 14.945 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.558 -7.500 13.562 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.128 -7.702 14.374 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.934 -8.198 12.676 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.154 -5.928 10.407 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.575 -6.539 9.176 1.00 0.00 C ATOM 1682 C ALA A 106 -6.365 -7.173 8.611 1.00 0.00 C ATOM 1683 O ALA A 106 -5.346 -6.502 8.471 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.106 -5.576 8.112 1.00 0.00 C ATOM 0 H ALA A 106 -6.972 -4.927 10.342 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.398 -7.213 9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.396 -6.138 7.224 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.973 -5.043 8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.328 -4.859 7.849 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.463 -8.483 8.306 1.00 0.00 N ATOM 1691 CA CYS A 107 -5.328 -9.250 7.893 1.00 0.00 C ATOM 1692 C CYS A 107 -5.399 -9.546 6.440 1.00 0.00 C ATOM 1693 O CYS A 107 -6.463 -9.835 5.894 1.00 0.00 O ATOM 1694 CB CYS A 107 -5.230 -10.615 8.583 1.00 0.00 C ATOM 1695 SG CYS A 107 -5.306 -10.470 10.379 1.00 0.00 S ATOM 0 H CYS A 107 -7.334 -9.012 8.346 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.467 -8.636 8.159 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.041 -11.256 8.236 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.296 -11.100 8.297 1.00 0.00 H new ATOM 1700 N GLU A 108 -4.221 -9.517 5.796 1.00 0.00 N ATOM 1701 CA GLU A 108 -4.072 -10.046 4.477 1.00 0.00 C ATOM 1702 C GLU A 108 -2.652 -10.493 4.413 1.00 0.00 C ATOM 1703 O GLU A 108 -1.752 -9.738 4.771 1.00 0.00 O ATOM 1704 CB GLU A 108 -4.336 -9.029 3.346 1.00 0.00 C ATOM 1705 CG GLU A 108 -4.488 -9.693 1.970 1.00 0.00 C ATOM 1706 CD GLU A 108 -4.793 -8.624 0.931 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -5.767 -7.851 1.134 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.055 -8.572 -0.089 1.00 0.00 O ATOM 0 H GLU A 108 -3.366 -9.125 6.191 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.806 -10.836 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.241 -8.466 3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.515 -8.312 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.573 -10.224 1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.289 -10.432 1.996 1.00 0.00 H new ATOM 1715 N ASN A 109 -2.443 -11.750 3.950 1.00 0.00 N ATOM 1716 CA ASN A 109 -1.179 -12.412 3.692 1.00 0.00 C ATOM 1717 C ASN A 109 -0.309 -12.648 4.902 1.00 0.00 C ATOM 1718 O ASN A 109 0.893 -12.865 4.764 1.00 0.00 O ATOM 1719 CB ASN A 109 -0.360 -11.868 2.478 1.00 0.00 C ATOM 1720 CG ASN A 109 0.255 -10.467 2.650 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.222 -10.254 3.389 1.00 0.00 O ATOM 1722 ND2 ASN A 109 -0.331 -9.488 1.893 1.00 0.00 N ATOM 0 H ASN A 109 -3.231 -12.361 3.736 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.527 -13.398 3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.444 -12.572 2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -1.011 -11.852 1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.030 -8.534 1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.128 -9.712 1.297 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.900 -12.635 6.121 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.181 -12.896 7.341 1.00 0.00 C ATOM 1731 C GLY A 110 0.290 -11.614 7.960 1.00 0.00 C ATOM 1732 O GLY A 110 0.870 -11.625 9.045 1.00 0.00 O ATOM 0 H GLY A 110 -1.891 -12.440 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.824 -13.430 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.672 -13.542 7.136 1.00 0.00 H new ATOM 1736 N LEU A 111 0.038 -10.481 7.279 1.00 0.00 N ATOM 1737 CA LEU A 111 0.365 -9.179 7.770 1.00 0.00 C ATOM 1738 C LEU A 111 -0.924 -8.613 8.248 1.00 0.00 C ATOM 1739 O LEU A 111 -1.927 -8.848 7.583 1.00 0.00 O ATOM 1740 CB LEU A 111 0.759 -8.238 6.630 1.00 0.00 C ATOM 1741 CG LEU A 111 2.255 -7.936 6.491 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.244 -9.046 6.828 1.00 0.00 C ATOM 1743 CD2 LEU A 111 2.579 -7.332 5.121 1.00 0.00 C ATOM 0 H LEU A 111 -0.406 -10.471 6.361 1.00 0.00 H new ATOM 0 HA LEU A 111 1.167 -9.260 8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.408 -8.669 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.230 -7.295 6.765 1.00 0.00 H new ATOM 0 HG LEU A 111 2.414 -7.210 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.262 -8.683 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.112 -9.348 7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.067 -9.902 6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.648 -7.130 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.294 -8.034 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.026 -6.402 4.993 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.994 -7.868 9.326 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.105 -7.002 9.567 1.00 0.00 C ATOM 1757 C PRO A 112 -1.889 -5.823 8.676 1.00 0.00 C ATOM 1758 O PRO A 112 -0.994 -5.024 8.921 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.001 -6.645 11.044 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.531 -6.850 11.412 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.053 -7.915 10.426 1.00 0.00 C ATOM 0 HA PRO A 112 -3.092 -7.418 9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.310 -5.615 11.221 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.649 -7.280 11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 112 0.039 -5.927 11.311 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.420 -7.182 12.444 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.961 -7.708 10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.038 -8.902 10.889 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.721 -5.689 7.634 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.590 -4.637 6.680 1.00 0.00 C ATOM 1771 C VAL A 113 -3.303 -3.407 7.150 1.00 0.00 C ATOM 1772 O VAL A 113 -2.989 -2.312 6.686 1.00 0.00 O ATOM 1773 CB VAL A 113 -3.110 -5.025 5.315 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -2.038 -5.889 4.635 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.430 -5.812 5.424 1.00 0.00 C ATOM 0 H VAL A 113 -3.499 -6.322 7.450 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.523 -4.435 6.587 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.314 -4.127 4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.384 -6.186 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.115 -5.316 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.852 -6.779 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.779 -6.077 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.265 -6.720 6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.181 -5.196 5.919 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.296 -3.551 8.060 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.142 -2.440 8.414 1.00 0.00 C ATOM 1787 C HIS A 114 -5.671 -2.762 9.770 1.00 0.00 C ATOM 1788 O HIS A 114 -5.134 -3.634 10.450 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.372 -2.236 7.500 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.126 -2.301 6.039 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.432 -3.338 5.250 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -5.583 -1.325 5.250 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -6.068 -3.003 3.975 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -5.557 -1.778 4.002 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.511 -4.423 8.544 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.544 -1.532 8.337 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.116 -2.991 7.755 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.811 -1.265 7.730 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.237 -0.358 5.583 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.177 -3.626 3.100 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -5.202 -1.267 3.194 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.749 -2.058 10.184 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.320 -2.174 11.496 1.00 0.00 C ATOM 1805 C LEU A 115 -8.596 -1.415 11.404 1.00 0.00 C ATOM 1806 O LEU A 115 -8.634 -0.299 10.885 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.342 -1.599 12.546 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.723 -1.213 13.998 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -7.036 0.284 14.067 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.632 -2.205 14.737 1.00 0.00 C ATOM 0 H LEU A 115 -7.236 -1.389 9.587 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.504 -3.201 11.812 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.534 -2.325 12.632 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.917 -0.700 12.099 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.855 -1.343 14.645 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.304 0.553 15.089 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.159 0.854 13.760 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.869 0.513 13.402 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.834 -1.835 15.742 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.571 -2.312 14.194 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.137 -3.174 14.800 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.670 -2.048 11.914 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.981 -1.472 11.974 1.00 0.00 C ATOM 1824 C ASP A 116 -10.981 -0.477 13.085 1.00 0.00 C ATOM 1825 O ASP A 116 -10.622 -0.787 14.219 1.00 0.00 O ATOM 1826 CB ASP A 116 -12.088 -2.496 12.291 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.259 -3.458 11.120 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.336 -4.276 10.869 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.333 -3.392 10.465 1.00 0.00 O ATOM 0 H ASP A 116 -9.625 -2.992 12.297 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.193 -1.042 10.995 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.834 -3.051 13.194 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.027 -1.979 12.488 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.411 0.762 12.768 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.413 1.841 13.714 1.00 0.00 C ATOM 1836 C GLN A 117 -12.786 1.974 14.305 1.00 0.00 C ATOM 1837 O GLN A 117 -13.100 3.024 14.854 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.188 3.223 13.051 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.031 3.327 12.042 1.00 0.00 C ATOM 1840 CD GLN A 117 -8.660 3.136 12.692 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.523 3.545 13.989 1.00 0.00 O flip ATOM 1842 NE2 GLN A 117 -7.738 2.648 12.026 1.00 0.00 N flip ATOM 0 H GLN A 117 -11.761 1.018 11.845 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.623 1.606 14.427 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.109 3.510 12.543 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.017 3.955 13.840 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.166 2.577 11.262 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.065 4.302 11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -7.902 2.361 11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -6.814 2.533 12.442 1.00 0.00 H new ATOM 1851 N SER A 118 -13.654 0.942 14.176 1.00 0.00 N ATOM 1852 CA SER A 118 -15.063 1.078 14.428 1.00 0.00 C ATOM 1853 C SER A 118 -15.371 0.743 15.847 1.00 0.00 C ATOM 1854 O SER A 118 -16.402 1.151 16.379 1.00 0.00 O ATOM 1855 CB SER A 118 -15.903 0.148 13.544 1.00 0.00 C ATOM 1856 OG SER A 118 -15.628 0.408 12.175 1.00 0.00 O ATOM 0 H SER A 118 -13.373 0.003 13.893 1.00 0.00 H new ATOM 0 HA SER A 118 -15.315 2.114 14.204 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.678 -0.893 13.778 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.963 0.299 13.746 1.00 0.00 H new ATOM 0 HG SER A 118 -16.165 -0.189 11.614 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.454 -0.012 16.487 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.533 -0.349 17.877 1.00 0.00 C ATOM 1864 C ILE A 119 -13.984 0.768 18.676 1.00 0.00 C ATOM 1865 O ILE A 119 -14.321 0.946 19.846 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.719 -1.552 18.292 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.451 -1.854 17.450 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.694 -2.716 18.358 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -12.647 -2.665 16.165 1.00 0.00 C ATOM 0 H ILE A 119 -13.633 -0.399 16.022 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.589 -0.561 18.047 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.264 -1.346 19.261 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.987 -0.904 17.184 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.743 -2.388 18.083 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.162 -3.620 18.655 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.473 -2.497 19.088 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.147 -2.867 17.378 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.685 -2.805 15.673 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.074 -3.637 16.410 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.322 -2.130 15.497 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.073 1.525 18.043 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.271 2.498 18.704 1.00 0.00 C ATOM 1883 C PHE A 120 -12.918 3.824 18.475 1.00 0.00 C ATOM 1884 O PHE A 120 -12.485 4.846 19.003 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.845 2.493 18.130 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.148 1.161 18.286 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.496 0.187 19.223 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.062 0.899 17.465 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.721 -0.943 19.389 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.282 -0.214 17.653 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.602 -1.138 18.618 1.00 0.00 C ATOM 0 H PHE A 120 -12.891 1.457 17.042 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.197 2.281 19.770 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.884 2.754 17.072 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.257 3.265 18.627 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.383 0.319 19.826 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -8.826 1.583 16.663 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.997 -1.679 20.130 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.408 -0.365 17.037 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.980 -2.008 18.768 1.00 0.00 H new