USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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 56 THR OG1 : rot 180:sc= 0.193 USER MOD Set 1.2: A 59 THR OG1 : rot 128:sc= 0.76 USER MOD Set 2.1: A 32 SER OG : rot 138:sc= 1.21 USER MOD Set 2.2: A 46 TYR OH : rot 30:sc= 1.01 USER MOD Set 3.1: A 3 SER OG : rot -140:sc= 1.38 USER MOD Set 3.2: A 6 HIS : no HD1:sc= 0.904 K(o=2.3,f=-2.3) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000928) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.187 (180deg=-1.01) USER MOD Single : A 2 LYS NZ :NH3+ 156:sc=-0.00549 (180deg=-0.684) USER MOD Single : A 5 TYR OH : rot -24:sc= 0.569 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -9.51! C(o=-9.5!,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -117:sc= -0.405 (180deg=-2.14!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -5.75 K(o=-5.8,f=-8.3!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0754 F(o=-0.71,f=-0.075) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -47:sc= 0.877 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0.0333 K(o=0.033,f=-2.8!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0619 USER MOD Single : A 45 SER OG : rot 180:sc=-0.000771 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.274 F(o=-4.3!,f=-0.27) USER MOD Single : A 53 TYR OH : rot 15:sc= -0.191 USER MOD Single : A 55 HIS : no HD1:sc= -0.165 K(o=-0.17,f=-0.82) USER MOD Single : A 57 MET CE :methyl 173:sc= -0.022 (180deg=-0.125) USER MOD Single : A 66 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 67 TYR OH : rot 15:sc= 0.81 USER MOD Single : A 69 SER OG : rot 85:sc= 1.27 USER MOD Single : A 72 HIS : no HD1:sc= -0.816 K(o=-0.82,f=-2) USER MOD Single : A 77 HIS : no HD1:sc= -0.0436 X(o=-0.044,f=-0.24) USER MOD Single : A 78 HIS : no HD1:sc= -0.207 K(o=-0.21,f=-0.93) USER MOD Single : A 79 HIS : no HD1:sc= -0.0718 K(o=-0.072,f=-0.97) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-1.8!) USER MOD Single : A 82 HIS : no HD1:sc= 0.236 K(o=0.24,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.649 8.543 5.876 1.00 0.00 N ATOM 2 CA MET A 1 -5.344 8.868 5.232 1.00 0.00 C ATOM 3 C MET A 1 -5.172 8.031 3.966 1.00 0.00 C ATOM 4 O MET A 1 -4.049 7.733 3.555 1.00 0.00 O ATOM 5 CB MET A 1 -4.204 8.586 6.220 1.00 0.00 C ATOM 6 CG MET A 1 -4.110 7.081 6.497 1.00 0.00 C ATOM 7 SD MET A 1 -3.636 6.814 8.224 1.00 0.00 S ATOM 8 CE MET A 1 -1.886 7.246 8.055 1.00 0.00 C ATOM 0 H1 MET A 1 -6.571 8.675 6.905 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.387 9.172 5.501 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.900 7.555 5.672 1.00 0.00 H new ATOM 0 HA MET A 1 -5.322 9.923 4.958 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.260 8.949 5.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.377 9.125 7.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.068 6.602 6.293 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.377 6.623 5.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.388 7.131 9.018 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.418 6.588 7.323 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.797 8.280 7.722 1.00 0.00 H new ATOM 20 N LYS A 2 -6.294 7.670 3.346 1.00 0.00 N ATOM 21 CA LYS A 2 -6.270 6.880 2.115 1.00 0.00 C ATOM 22 C LYS A 2 -5.765 5.463 2.380 1.00 0.00 C ATOM 23 O LYS A 2 -4.567 5.242 2.567 1.00 0.00 O ATOM 24 CB LYS A 2 -5.373 7.566 1.077 1.00 0.00 C ATOM 25 CG LYS A 2 -5.948 7.352 -0.325 1.00 0.00 C ATOM 26 CD LYS A 2 -5.531 8.516 -1.230 1.00 0.00 C ATOM 27 CE LYS A 2 -5.370 8.015 -2.669 1.00 0.00 C ATOM 28 NZ LYS A 2 -6.547 7.177 -3.041 1.00 0.00 N ATOM 0 H LYS A 2 -7.229 7.911 3.674 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.288 6.813 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.301 8.632 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.362 7.161 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.588 6.409 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.035 7.285 -0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.280 9.307 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.594 8.947 -0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.282 8.860 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.453 7.434 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.659 7.175 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.400 6.203 -2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.404 7.568 -2.601 1.00 0.00 H new ATOM 42 N SER A 3 -6.688 4.503 2.388 1.00 0.00 N ATOM 43 CA SER A 3 -6.329 3.105 2.620 1.00 0.00 C ATOM 44 C SER A 3 -5.388 2.612 1.523 1.00 0.00 C ATOM 45 O SER A 3 -5.605 2.884 0.341 1.00 0.00 O ATOM 46 CB SER A 3 -7.593 2.237 2.654 1.00 0.00 C ATOM 47 OG SER A 3 -7.339 0.991 2.012 1.00 0.00 O ATOM 0 H SER A 3 -7.684 4.666 2.238 1.00 0.00 H new ATOM 0 HA SER A 3 -5.819 3.029 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.902 2.069 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.413 2.753 2.155 1.00 0.00 H new ATOM 0 HG SER A 3 -8.117 0.736 1.473 1.00 0.00 H new ATOM 53 N PHE A 4 -4.345 1.890 1.922 1.00 0.00 N ATOM 54 CA PHE A 4 -3.379 1.361 0.964 1.00 0.00 C ATOM 55 C PHE A 4 -4.085 0.523 -0.100 1.00 0.00 C ATOM 56 O PHE A 4 -3.774 0.620 -1.286 1.00 0.00 O ATOM 57 CB PHE A 4 -2.336 0.505 1.689 1.00 0.00 C ATOM 58 CG PHE A 4 -1.194 0.187 0.748 1.00 0.00 C ATOM 59 CD1 PHE A 4 -1.302 -0.885 -0.148 1.00 0.00 C ATOM 60 CD2 PHE A 4 -0.030 0.965 0.770 1.00 0.00 C ATOM 61 CE1 PHE A 4 -0.247 -1.178 -1.019 1.00 0.00 C ATOM 62 CE2 PHE A 4 1.026 0.671 -0.102 1.00 0.00 C ATOM 63 CZ PHE A 4 0.917 -0.401 -0.996 1.00 0.00 C ATOM 0 H PHE A 4 -4.148 1.659 2.896 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.881 2.199 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.962 1.035 2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.793 -0.418 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.200 -1.485 -0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.054 1.792 1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.331 -2.004 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.924 1.271 -0.085 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.731 -0.628 -1.668 1.00 0.00 H new ATOM 73 N TYR A 5 -5.034 -0.301 0.339 1.00 0.00 N ATOM 74 CA TYR A 5 -5.781 -1.159 -0.575 1.00 0.00 C ATOM 75 C TYR A 5 -6.594 -0.331 -1.567 1.00 0.00 C ATOM 76 O TYR A 5 -6.663 -0.663 -2.751 1.00 0.00 O ATOM 77 CB TYR A 5 -6.721 -2.074 0.215 1.00 0.00 C ATOM 78 CG TYR A 5 -7.550 -2.899 -0.744 1.00 0.00 C ATOM 79 CD1 TYR A 5 -6.933 -3.862 -1.553 1.00 0.00 C ATOM 80 CD2 TYR A 5 -8.934 -2.699 -0.826 1.00 0.00 C ATOM 81 CE1 TYR A 5 -7.699 -4.623 -2.444 1.00 0.00 C ATOM 82 CE2 TYR A 5 -9.700 -3.460 -1.715 1.00 0.00 C ATOM 83 CZ TYR A 5 -9.083 -4.422 -2.524 1.00 0.00 C ATOM 84 OH TYR A 5 -9.838 -5.172 -3.402 1.00 0.00 O ATOM 0 H TYR A 5 -5.303 -0.392 1.319 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.063 -1.762 -1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.144 -2.728 0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.372 -1.478 0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.866 -4.017 -1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -9.410 -1.957 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.223 -5.364 -3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -10.767 -3.306 -1.777 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.268 -5.494 -4.131 1.00 0.00 H new ATOM 94 N HIS A 6 -7.213 0.742 -1.080 1.00 0.00 N ATOM 95 CA HIS A 6 -8.023 1.602 -1.939 1.00 0.00 C ATOM 96 C HIS A 6 -7.154 2.308 -2.965 1.00 0.00 C ATOM 97 O HIS A 6 -7.456 2.297 -4.159 1.00 0.00 O ATOM 98 CB HIS A 6 -8.748 2.645 -1.111 1.00 0.00 C ATOM 99 CG HIS A 6 -9.924 2.012 -0.417 1.00 0.00 C ATOM 100 ND1 HIS A 6 -9.779 0.957 0.471 1.00 0.00 N ATOM 101 CD2 HIS A 6 -11.272 2.271 -0.475 1.00 0.00 C ATOM 102 CE1 HIS A 6 -11.007 0.622 0.906 1.00 0.00 C ATOM 103 NE2 HIS A 6 -11.953 1.392 0.360 1.00 0.00 N ATOM 0 H HIS A 6 -7.170 1.035 -0.104 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.749 0.971 -2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.069 3.077 -0.376 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.086 3.461 -1.750 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.733 3.040 -1.077 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.204 -0.172 1.611 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.959 1.345 0.521 1.00 0.00 H new ATOM 112 N TYR A 7 -6.065 2.913 -2.505 1.00 0.00 N ATOM 113 CA TYR A 7 -5.168 3.589 -3.424 1.00 0.00 C ATOM 114 C TYR A 7 -4.729 2.572 -4.460 1.00 0.00 C ATOM 115 O TYR A 7 -4.871 2.784 -5.665 1.00 0.00 O ATOM 116 CB TYR A 7 -3.950 4.144 -2.675 1.00 0.00 C ATOM 117 CG TYR A 7 -2.867 4.514 -3.667 1.00 0.00 C ATOM 118 CD1 TYR A 7 -3.164 5.356 -4.747 1.00 0.00 C ATOM 119 CD2 TYR A 7 -1.570 4.012 -3.508 1.00 0.00 C ATOM 120 CE1 TYR A 7 -2.165 5.694 -5.666 1.00 0.00 C ATOM 121 CE2 TYR A 7 -0.571 4.352 -4.428 1.00 0.00 C ATOM 122 CZ TYR A 7 -0.868 5.192 -5.507 1.00 0.00 C ATOM 123 OH TYR A 7 0.117 5.526 -6.413 1.00 0.00 O ATOM 0 H TYR A 7 -5.789 2.948 -1.524 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.673 4.430 -3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.237 5.019 -2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.574 3.401 -1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.164 5.744 -4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.340 3.363 -2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.394 6.343 -6.499 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.430 3.966 -4.305 1.00 0.00 H new ATOM 0 HH TYR A 7 0.958 5.094 -6.156 1.00 0.00 H new ATOM 133 N LEU A 8 -4.234 1.444 -3.964 1.00 0.00 N ATOM 134 CA LEU A 8 -3.814 0.354 -4.824 1.00 0.00 C ATOM 135 C LEU A 8 -4.978 -0.115 -5.696 1.00 0.00 C ATOM 136 O LEU A 8 -4.764 -0.662 -6.778 1.00 0.00 O ATOM 137 CB LEU A 8 -3.303 -0.815 -3.974 1.00 0.00 C ATOM 138 CG LEU A 8 -2.414 -1.730 -4.825 1.00 0.00 C ATOM 139 CD1 LEU A 8 -0.989 -1.170 -4.865 1.00 0.00 C ATOM 140 CD2 LEU A 8 -2.390 -3.132 -4.210 1.00 0.00 C ATOM 0 H LEU A 8 -4.115 1.264 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.011 0.710 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.739 -0.437 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.145 -1.381 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.813 -1.781 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.359 -1.822 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.003 -0.171 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.590 -1.118 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.758 -3.783 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.992 -3.078 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.403 -3.534 -4.181 1.00 0.00 H new ATOM 152 N LEU A 9 -6.217 0.091 -5.221 1.00 0.00 N ATOM 153 CA LEU A 9 -7.385 -0.338 -5.992 1.00 0.00 C ATOM 154 C LEU A 9 -7.422 0.355 -7.353 1.00 0.00 C ATOM 155 O LEU A 9 -8.007 -0.164 -8.303 1.00 0.00 O ATOM 156 CB LEU A 9 -8.681 -0.058 -5.222 1.00 0.00 C ATOM 157 CG LEU A 9 -9.409 -1.378 -4.933 1.00 0.00 C ATOM 158 CD1 LEU A 9 -10.676 -1.095 -4.122 1.00 0.00 C ATOM 159 CD2 LEU A 9 -9.790 -2.062 -6.250 1.00 0.00 C ATOM 0 H LEU A 9 -6.429 0.540 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.302 -1.413 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.456 0.456 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.324 0.603 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.749 -2.034 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.193 -2.032 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.406 -0.616 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.332 -0.435 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.306 -2.998 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.447 -1.407 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.889 -2.268 -6.827 1.00 0.00 H new ATOM 171 N LYS A 10 -6.788 1.526 -7.443 1.00 0.00 N ATOM 172 CA LYS A 10 -6.752 2.271 -8.701 1.00 0.00 C ATOM 173 C LYS A 10 -5.840 1.565 -9.701 1.00 0.00 C ATOM 174 O LYS A 10 -5.926 1.793 -10.908 1.00 0.00 O ATOM 175 CB LYS A 10 -6.244 3.696 -8.452 1.00 0.00 C ATOM 176 CG LYS A 10 -6.328 4.509 -9.748 1.00 0.00 C ATOM 177 CD LYS A 10 -6.229 6.003 -9.426 1.00 0.00 C ATOM 178 CE LYS A 10 -6.115 6.802 -10.728 1.00 0.00 C ATOM 179 NZ LYS A 10 -6.279 8.254 -10.435 1.00 0.00 N ATOM 0 H LYS A 10 -6.298 1.974 -6.669 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.761 2.318 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.839 4.173 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.214 3.668 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.524 4.219 -10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.267 4.299 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.108 6.324 -8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.361 6.193 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.147 6.621 -11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.876 6.475 -11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.202 8.797 -11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.213 8.419 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.537 8.561 -9.774 1.00 0.00 H new ATOM 193 N TYR A 11 -4.988 0.688 -9.181 1.00 0.00 N ATOM 194 CA TYR A 11 -4.073 -0.082 -10.008 1.00 0.00 C ATOM 195 C TYR A 11 -4.698 -1.438 -10.295 1.00 0.00 C ATOM 196 O TYR A 11 -4.060 -2.480 -10.148 1.00 0.00 O ATOM 197 CB TYR A 11 -2.732 -0.258 -9.288 1.00 0.00 C ATOM 198 CG TYR A 11 -1.862 0.953 -9.533 1.00 0.00 C ATOM 199 CD1 TYR A 11 -2.020 2.101 -8.746 1.00 0.00 C ATOM 200 CD2 TYR A 11 -0.896 0.927 -10.548 1.00 0.00 C ATOM 201 CE1 TYR A 11 -1.212 3.222 -8.973 1.00 0.00 C ATOM 202 CE2 TYR A 11 -0.090 2.049 -10.775 1.00 0.00 C ATOM 203 CZ TYR A 11 -0.248 3.196 -9.988 1.00 0.00 C ATOM 204 OH TYR A 11 0.547 4.301 -10.212 1.00 0.00 O ATOM 0 H TYR A 11 -4.914 0.494 -8.182 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.891 0.444 -10.945 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.897 -0.390 -8.219 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.231 -1.157 -9.646 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.765 2.122 -7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.773 0.042 -11.155 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.332 4.107 -8.365 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.654 2.030 -11.558 1.00 0.00 H new ATOM 0 HH TYR A 11 1.164 4.116 -10.951 1.00 0.00 H new ATOM 214 N ARG A 12 -5.968 -1.399 -10.679 1.00 0.00 N ATOM 215 CA ARG A 12 -6.732 -2.607 -10.972 1.00 0.00 C ATOM 216 C ARG A 12 -5.908 -3.623 -11.764 1.00 0.00 C ATOM 217 O ARG A 12 -4.893 -3.287 -12.378 1.00 0.00 O ATOM 218 CB ARG A 12 -7.989 -2.234 -11.757 1.00 0.00 C ATOM 219 CG ARG A 12 -8.983 -1.528 -10.827 1.00 0.00 C ATOM 220 CD ARG A 12 -10.382 -1.558 -11.448 1.00 0.00 C ATOM 221 NE ARG A 12 -10.843 -2.936 -11.575 1.00 0.00 N ATOM 222 CZ ARG A 12 -11.983 -3.233 -12.194 1.00 0.00 C ATOM 223 NH1 ARG A 12 -12.726 -2.284 -12.697 1.00 0.00 N ATOM 224 NH2 ARG A 12 -12.361 -4.477 -12.292 1.00 0.00 N ATOM 0 H ARG A 12 -6.496 -0.534 -10.796 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.006 -3.072 -10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.729 -1.582 -12.591 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.444 -3.129 -12.181 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.996 -2.018 -9.854 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.671 -0.497 -10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.076 -0.990 -10.829 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.364 -1.080 -12.428 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.279 -3.689 -11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.433 -1.310 -12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.599 -2.517 -13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.784 -5.218 -11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.234 -4.709 -12.766 1.00 0.00 H new ATOM 238 N HIS A 13 -6.354 -4.874 -11.723 1.00 0.00 N ATOM 239 CA HIS A 13 -5.663 -5.964 -12.404 1.00 0.00 C ATOM 240 C HIS A 13 -5.779 -5.839 -13.923 1.00 0.00 C ATOM 241 O HIS A 13 -4.764 -5.785 -14.615 1.00 0.00 O ATOM 242 CB HIS A 13 -6.209 -7.336 -11.945 1.00 0.00 C ATOM 243 CG HIS A 13 -7.444 -7.169 -11.087 1.00 0.00 C ATOM 244 ND1 HIS A 13 -7.472 -6.340 -9.976 1.00 0.00 N ATOM 245 CD2 HIS A 13 -8.704 -7.708 -11.182 1.00 0.00 C ATOM 246 CE1 HIS A 13 -8.711 -6.398 -9.458 1.00 0.00 C ATOM 247 NE2 HIS A 13 -9.502 -7.218 -10.153 1.00 0.00 N ATOM 0 H HIS A 13 -7.196 -5.160 -11.223 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.609 -5.896 -12.135 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.447 -7.947 -12.816 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.441 -7.868 -11.383 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.026 -8.406 -11.940 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.028 -5.847 -8.585 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -10.481 -7.438 -9.969 1.00 0.00 H new ATOM 256 N PRO A 14 -6.981 -5.799 -14.454 1.00 0.00 N ATOM 257 CA PRO A 14 -7.220 -5.689 -15.920 1.00 0.00 C ATOM 258 C PRO A 14 -6.162 -4.858 -16.650 1.00 0.00 C ATOM 259 O PRO A 14 -6.001 -3.666 -16.387 1.00 0.00 O ATOM 260 CB PRO A 14 -8.588 -5.015 -15.991 1.00 0.00 C ATOM 261 CG PRO A 14 -9.312 -5.446 -14.756 1.00 0.00 C ATOM 262 CD PRO A 14 -8.256 -5.854 -13.720 1.00 0.00 C ATOM 0 HA PRO A 14 -7.173 -6.661 -16.412 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.489 -3.930 -16.029 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.128 -5.318 -16.888 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.932 -4.636 -14.373 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.978 -6.281 -14.974 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.253 -5.175 -12.867 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.447 -6.854 -13.331 1.00 0.00 H new ATOM 270 N LYS A 15 -5.463 -5.507 -17.580 1.00 0.00 N ATOM 271 CA LYS A 15 -4.433 -4.845 -18.382 1.00 0.00 C ATOM 272 C LYS A 15 -3.211 -4.448 -17.544 1.00 0.00 C ATOM 273 O LYS A 15 -2.816 -3.281 -17.529 1.00 0.00 O ATOM 274 CB LYS A 15 -5.026 -3.599 -19.058 1.00 0.00 C ATOM 275 CG LYS A 15 -4.220 -3.257 -20.317 1.00 0.00 C ATOM 276 CD LYS A 15 -4.822 -2.021 -20.993 1.00 0.00 C ATOM 277 CE LYS A 15 -4.342 -0.755 -20.279 1.00 0.00 C ATOM 278 NZ LYS A 15 -4.919 0.443 -20.951 1.00 0.00 N ATOM 0 H LYS A 15 -5.592 -6.495 -17.798 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.095 -5.556 -19.136 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.069 -3.778 -19.320 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.011 -2.757 -18.366 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.179 -3.070 -20.055 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.228 -4.101 -21.007 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.530 -1.991 -22.043 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.910 -2.074 -20.966 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.644 -0.779 -19.232 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.253 -0.706 -20.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.593 1.304 -20.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.610 0.467 -21.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.957 0.396 -20.913 1.00 0.00 H new ATOM 292 N PRO A 16 -2.583 -5.391 -16.878 1.00 0.00 N ATOM 293 CA PRO A 16 -1.361 -5.113 -16.064 1.00 0.00 C ATOM 294 C PRO A 16 -0.155 -4.841 -16.966 1.00 0.00 C ATOM 295 O PRO A 16 -0.140 -5.265 -18.123 1.00 0.00 O ATOM 296 CB PRO A 16 -1.164 -6.392 -15.247 1.00 0.00 C ATOM 297 CG PRO A 16 -1.830 -7.473 -16.035 1.00 0.00 C ATOM 298 CD PRO A 16 -2.966 -6.814 -16.821 1.00 0.00 C ATOM 0 HA PRO A 16 -1.465 -4.229 -15.435 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.105 -6.607 -15.102 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.608 -6.298 -14.256 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.121 -7.952 -16.710 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.217 -8.250 -15.375 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.061 -7.242 -17.819 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.926 -6.949 -16.323 1.00 0.00 H new ATOM 306 N LYS A 17 0.846 -4.126 -16.449 1.00 0.00 N ATOM 307 CA LYS A 17 2.028 -3.809 -17.253 1.00 0.00 C ATOM 308 C LYS A 17 3.287 -3.696 -16.394 1.00 0.00 C ATOM 309 O LYS A 17 4.232 -4.470 -16.563 1.00 0.00 O ATOM 310 CB LYS A 17 1.808 -2.485 -17.996 1.00 0.00 C ATOM 311 CG LYS A 17 0.916 -2.719 -19.219 1.00 0.00 C ATOM 312 CD LYS A 17 0.857 -1.444 -20.069 1.00 0.00 C ATOM 313 CE LYS A 17 -0.070 -0.419 -19.405 1.00 0.00 C ATOM 314 NZ LYS A 17 0.717 0.430 -18.466 1.00 0.00 N ATOM 0 H LYS A 17 0.864 -3.762 -15.496 1.00 0.00 H new ATOM 0 HA LYS A 17 2.172 -4.624 -17.962 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.345 -1.756 -17.331 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.766 -2.068 -18.307 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.306 -3.545 -19.813 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.087 -3.002 -18.900 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.857 -1.024 -20.181 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.496 -1.680 -21.070 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.544 0.203 -20.164 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.869 -0.930 -18.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.370 0.289 -17.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.721 0.164 -18.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.610 1.430 -18.730 1.00 0.00 H new ATOM 328 N ASP A 18 3.304 -2.721 -15.489 1.00 0.00 N ATOM 329 CA ASP A 18 4.467 -2.506 -14.628 1.00 0.00 C ATOM 330 C ASP A 18 4.478 -3.493 -13.465 1.00 0.00 C ATOM 331 O ASP A 18 3.447 -4.068 -13.115 1.00 0.00 O ATOM 332 CB ASP A 18 4.445 -1.074 -14.079 1.00 0.00 C ATOM 333 CG ASP A 18 5.866 -0.521 -13.960 1.00 0.00 C ATOM 334 OD1 ASP A 18 6.740 -1.261 -13.536 1.00 0.00 O ATOM 335 OD2 ASP A 18 6.057 0.640 -14.288 1.00 0.00 O ATOM 0 H ASP A 18 2.533 -2.071 -15.332 1.00 0.00 H new ATOM 0 HA ASP A 18 5.366 -2.663 -15.224 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.855 -0.436 -14.736 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.961 -1.061 -13.103 1.00 0.00 H new ATOM 340 N SER A 19 5.655 -3.678 -12.869 1.00 0.00 N ATOM 341 CA SER A 19 5.808 -4.588 -11.742 1.00 0.00 C ATOM 342 C SER A 19 4.793 -4.261 -10.650 1.00 0.00 C ATOM 343 O SER A 19 4.158 -5.156 -10.092 1.00 0.00 O ATOM 344 CB SER A 19 7.223 -4.473 -11.179 1.00 0.00 C ATOM 345 OG SER A 19 7.525 -3.103 -10.939 1.00 0.00 O ATOM 0 H SER A 19 6.515 -3.208 -13.150 1.00 0.00 H new ATOM 0 HA SER A 19 5.634 -5.607 -12.088 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.306 -5.043 -10.253 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.941 -4.898 -11.880 1.00 0.00 H new ATOM 0 HG SER A 19 8.432 -3.027 -10.576 1.00 0.00 H new ATOM 351 N ILE A 20 4.642 -2.969 -10.361 1.00 0.00 N ATOM 352 CA ILE A 20 3.693 -2.530 -9.344 1.00 0.00 C ATOM 353 C ILE A 20 2.279 -2.936 -9.747 1.00 0.00 C ATOM 354 O ILE A 20 1.456 -3.288 -8.901 1.00 0.00 O ATOM 355 CB ILE A 20 3.780 -1.005 -9.164 1.00 0.00 C ATOM 356 CG1 ILE A 20 3.314 -0.631 -7.752 1.00 0.00 C ATOM 357 CG2 ILE A 20 2.895 -0.296 -10.199 1.00 0.00 C ATOM 358 CD1 ILE A 20 3.643 0.839 -7.473 1.00 0.00 C ATOM 0 H ILE A 20 5.160 -2.216 -10.813 1.00 0.00 H new ATOM 0 HA ILE A 20 3.940 -3.007 -8.395 1.00 0.00 H new ATOM 0 HB ILE A 20 4.814 -0.690 -9.307 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.241 -0.798 -7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.803 -1.269 -7.016 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.966 0.783 -10.060 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.230 -0.556 -11.203 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.860 -0.611 -10.069 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.311 1.102 -6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.719 0.992 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.133 1.470 -8.201 1.00 0.00 H new ATOM 370 N SER A 21 2.015 -2.891 -11.051 1.00 0.00 N ATOM 371 CA SER A 21 0.708 -3.264 -11.572 1.00 0.00 C ATOM 372 C SER A 21 0.440 -4.739 -11.307 1.00 0.00 C ATOM 373 O SER A 21 -0.622 -5.101 -10.807 1.00 0.00 O ATOM 374 CB SER A 21 0.646 -2.992 -13.077 1.00 0.00 C ATOM 375 OG SER A 21 -0.696 -2.702 -13.445 1.00 0.00 O ATOM 0 H SER A 21 2.687 -2.601 -11.761 1.00 0.00 H new ATOM 0 HA SER A 21 -0.052 -2.667 -11.068 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.295 -2.155 -13.334 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.008 -3.858 -13.630 1.00 0.00 H new ATOM 0 HG SER A 21 -0.718 -2.371 -14.367 1.00 0.00 H new ATOM 381 N GLU A 22 1.420 -5.581 -11.637 1.00 0.00 N ATOM 382 CA GLU A 22 1.289 -7.021 -11.429 1.00 0.00 C ATOM 383 C GLU A 22 1.033 -7.321 -9.958 1.00 0.00 C ATOM 384 O GLU A 22 0.237 -8.201 -9.622 1.00 0.00 O ATOM 385 CB GLU A 22 2.566 -7.737 -11.883 1.00 0.00 C ATOM 386 CG GLU A 22 2.947 -7.277 -13.295 1.00 0.00 C ATOM 387 CD GLU A 22 3.645 -8.409 -14.043 1.00 0.00 C ATOM 388 OE1 GLU A 22 4.859 -8.496 -13.948 1.00 0.00 O ATOM 389 OE2 GLU A 22 2.956 -9.172 -14.701 1.00 0.00 O ATOM 0 H GLU A 22 2.308 -5.292 -12.047 1.00 0.00 H new ATOM 0 HA GLU A 22 0.445 -7.380 -12.018 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.379 -7.524 -11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.412 -8.816 -11.872 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.054 -6.967 -13.839 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.603 -6.409 -13.239 1.00 0.00 H new ATOM 396 N PHE A 23 1.697 -6.570 -9.083 1.00 0.00 N ATOM 397 CA PHE A 23 1.519 -6.750 -7.648 1.00 0.00 C ATOM 398 C PHE A 23 0.060 -6.500 -7.283 1.00 0.00 C ATOM 399 O PHE A 23 -0.535 -7.245 -6.503 1.00 0.00 O ATOM 400 CB PHE A 23 2.425 -5.775 -6.886 1.00 0.00 C ATOM 401 CG PHE A 23 2.362 -6.065 -5.403 1.00 0.00 C ATOM 402 CD1 PHE A 23 1.365 -5.473 -4.616 1.00 0.00 C ATOM 403 CD2 PHE A 23 3.303 -6.918 -4.815 1.00 0.00 C ATOM 404 CE1 PHE A 23 1.310 -5.735 -3.242 1.00 0.00 C ATOM 405 CE2 PHE A 23 3.248 -7.180 -3.441 1.00 0.00 C ATOM 406 CZ PHE A 23 2.252 -6.589 -2.654 1.00 0.00 C ATOM 0 H PHE A 23 2.358 -5.837 -9.341 1.00 0.00 H new ATOM 0 HA PHE A 23 1.789 -7.770 -7.373 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.452 -5.867 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.112 -4.749 -7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.639 -4.815 -5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.072 -7.374 -5.421 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.542 -5.279 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.974 -7.838 -2.988 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.210 -6.791 -1.594 1.00 0.00 H new ATOM 416 N ALA A 24 -0.507 -5.446 -7.869 1.00 0.00 N ATOM 417 CA ALA A 24 -1.900 -5.090 -7.624 1.00 0.00 C ATOM 418 C ALA A 24 -2.827 -6.267 -7.925 1.00 0.00 C ATOM 419 O ALA A 24 -3.735 -6.563 -7.146 1.00 0.00 O ATOM 420 CB ALA A 24 -2.289 -3.893 -8.493 1.00 0.00 C ATOM 0 H ALA A 24 -0.021 -4.825 -8.516 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.006 -4.829 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.330 -3.631 -8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.652 -3.043 -8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.163 -4.150 -9.545 1.00 0.00 H new ATOM 426 N ASN A 25 -2.596 -6.936 -9.058 1.00 0.00 N ATOM 427 CA ASN A 25 -3.426 -8.079 -9.442 1.00 0.00 C ATOM 428 C ASN A 25 -3.418 -9.127 -8.332 1.00 0.00 C ATOM 429 O ASN A 25 -4.469 -9.617 -7.920 1.00 0.00 O ATOM 430 CB ASN A 25 -2.909 -8.714 -10.743 1.00 0.00 C ATOM 431 CG ASN A 25 -2.857 -7.678 -11.869 1.00 0.00 C ATOM 432 OD1 ASN A 25 -2.163 -6.674 -11.753 1.00 0.00 O ATOM 433 ND2 ASN A 25 -3.553 -7.863 -12.960 1.00 0.00 N ATOM 0 H ASN A 25 -1.851 -6.709 -9.717 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.443 -7.722 -9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.915 -9.131 -10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.558 -9.541 -11.033 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.517 -7.173 -13.711 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.132 -8.697 -13.061 1.00 0.00 H new ATOM 440 N GLN A 26 -2.222 -9.458 -7.853 1.00 0.00 N ATOM 441 CA GLN A 26 -2.070 -10.444 -6.785 1.00 0.00 C ATOM 442 C GLN A 26 -2.707 -9.949 -5.485 1.00 0.00 C ATOM 443 O GLN A 26 -3.477 -10.667 -4.847 1.00 0.00 O ATOM 444 CB GLN A 26 -0.580 -10.724 -6.552 1.00 0.00 C ATOM 445 CG GLN A 26 -0.418 -11.946 -5.642 1.00 0.00 C ATOM 446 CD GLN A 26 1.011 -12.013 -5.106 1.00 0.00 C ATOM 447 OE1 GLN A 26 1.492 -11.007 -4.427 1.00 0.00 O flip ATOM 448 NE2 GLN A 26 1.705 -13.009 -5.308 1.00 0.00 N flip ATOM 0 H GLN A 26 -1.344 -9.059 -8.186 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.577 -11.360 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.080 -10.900 -7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.104 -9.855 -6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.124 -11.889 -4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.650 -12.856 -6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.328 -13.794 -5.839 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.657 -13.049 -4.945 1.00 0.00 H new ATOM 457 N ALA A 27 -2.365 -8.721 -5.099 1.00 0.00 N ATOM 458 CA ALA A 27 -2.886 -8.125 -3.868 1.00 0.00 C ATOM 459 C ALA A 27 -4.414 -8.080 -3.864 1.00 0.00 C ATOM 460 O ALA A 27 -5.039 -8.203 -2.811 1.00 0.00 O ATOM 461 CB ALA A 27 -2.338 -6.705 -3.711 1.00 0.00 C ATOM 0 H ALA A 27 -1.729 -8.118 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.563 -8.748 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.728 -6.264 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.250 -6.738 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.646 -6.100 -4.564 1.00 0.00 H new ATOM 467 N TYR A 28 -5.006 -7.891 -5.039 1.00 0.00 N ATOM 468 CA TYR A 28 -6.460 -7.821 -5.150 1.00 0.00 C ATOM 469 C TYR A 28 -7.111 -9.118 -4.673 1.00 0.00 C ATOM 470 O TYR A 28 -8.258 -9.117 -4.223 1.00 0.00 O ATOM 471 CB TYR A 28 -6.859 -7.551 -6.602 1.00 0.00 C ATOM 472 CG TYR A 28 -8.365 -7.548 -6.721 1.00 0.00 C ATOM 473 CD1 TYR A 28 -9.105 -6.463 -6.234 1.00 0.00 C ATOM 474 CD2 TYR A 28 -9.022 -8.631 -7.319 1.00 0.00 C ATOM 475 CE1 TYR A 28 -10.500 -6.461 -6.345 1.00 0.00 C ATOM 476 CE2 TYR A 28 -10.417 -8.629 -7.429 1.00 0.00 C ATOM 477 CZ TYR A 28 -11.157 -7.545 -6.943 1.00 0.00 C ATOM 478 OH TYR A 28 -12.532 -7.543 -7.054 1.00 0.00 O ATOM 0 H TYR A 28 -4.507 -7.784 -5.922 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.809 -7.006 -4.516 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.456 -6.592 -6.928 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.434 -8.314 -7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.599 -5.628 -5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.452 -9.468 -7.695 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.070 -5.624 -5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.923 -9.465 -7.889 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.826 -8.368 -7.494 1.00 0.00 H new ATOM 488 N GLU A 29 -6.377 -10.222 -4.786 1.00 0.00 N ATOM 489 CA GLU A 29 -6.894 -11.520 -4.379 1.00 0.00 C ATOM 490 C GLU A 29 -6.690 -11.749 -2.884 1.00 0.00 C ATOM 491 O GLU A 29 -7.173 -12.738 -2.330 1.00 0.00 O ATOM 492 CB GLU A 29 -6.182 -12.621 -5.166 1.00 0.00 C ATOM 493 CG GLU A 29 -6.056 -12.206 -6.634 1.00 0.00 C ATOM 494 CD GLU A 29 -5.485 -13.357 -7.456 1.00 0.00 C ATOM 495 OE1 GLU A 29 -6.254 -14.222 -7.842 1.00 0.00 O ATOM 496 OE2 GLU A 29 -4.286 -13.357 -7.686 1.00 0.00 O ATOM 0 H GLU A 29 -5.426 -10.241 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.964 -11.545 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.194 -12.803 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.739 -13.555 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.033 -11.919 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.410 -11.332 -6.719 1.00 0.00 H new ATOM 503 N ASP A 30 -5.978 -10.831 -2.233 1.00 0.00 N ATOM 504 CA ASP A 30 -5.730 -10.953 -0.802 1.00 0.00 C ATOM 505 C ASP A 30 -6.934 -10.444 -0.014 1.00 0.00 C ATOM 506 O ASP A 30 -6.952 -9.303 0.451 1.00 0.00 O ATOM 507 CB ASP A 30 -4.473 -10.164 -0.415 1.00 0.00 C ATOM 508 CG ASP A 30 -4.016 -10.551 0.991 1.00 0.00 C ATOM 509 OD1 ASP A 30 -3.854 -11.736 1.238 1.00 0.00 O ATOM 510 OD2 ASP A 30 -3.833 -9.657 1.800 1.00 0.00 O ATOM 0 H ASP A 30 -5.568 -10.005 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.573 -12.004 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.676 -10.362 -1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.680 -9.095 -0.456 1.00 0.00 H new ATOM 515 N HIS A 31 -7.940 -11.302 0.124 1.00 0.00 N ATOM 516 CA HIS A 31 -9.157 -10.947 0.851 1.00 0.00 C ATOM 517 C HIS A 31 -8.854 -10.670 2.323 1.00 0.00 C ATOM 518 O HIS A 31 -9.711 -10.181 3.059 1.00 0.00 O ATOM 519 CB HIS A 31 -10.183 -12.081 0.740 1.00 0.00 C ATOM 520 CG HIS A 31 -9.493 -13.412 0.885 1.00 0.00 C ATOM 521 ND1 HIS A 31 -8.520 -13.641 1.844 1.00 0.00 N ATOM 522 CD2 HIS A 31 -9.624 -14.593 0.196 1.00 0.00 C ATOM 523 CE1 HIS A 31 -8.107 -14.914 1.708 1.00 0.00 C ATOM 524 NE2 HIS A 31 -8.748 -15.539 0.717 1.00 0.00 N ATOM 0 H HIS A 31 -7.938 -12.248 -0.257 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.567 -10.040 0.406 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.945 -11.971 1.511 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.693 -12.029 -0.222 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.304 -14.761 -0.626 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.349 -15.374 2.325 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.622 -16.503 0.409 1.00 0.00 H new ATOM 533 N SER A 32 -7.632 -10.989 2.744 1.00 0.00 N ATOM 534 CA SER A 32 -7.227 -10.775 4.131 1.00 0.00 C ATOM 535 C SER A 32 -6.465 -9.460 4.277 1.00 0.00 C ATOM 536 O SER A 32 -6.124 -9.055 5.389 1.00 0.00 O ATOM 537 CB SER A 32 -6.345 -11.935 4.595 1.00 0.00 C ATOM 538 OG SER A 32 -5.136 -11.934 3.847 1.00 0.00 O ATOM 0 H SER A 32 -6.909 -11.394 2.149 1.00 0.00 H new ATOM 0 HA SER A 32 -8.123 -10.726 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.128 -11.839 5.659 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.869 -12.882 4.461 1.00 0.00 H new ATOM 0 HG SER A 32 -4.381 -12.118 4.445 1.00 0.00 H new ATOM 544 N PHE A 33 -6.205 -8.799 3.151 1.00 0.00 N ATOM 545 CA PHE A 33 -5.487 -7.527 3.164 1.00 0.00 C ATOM 546 C PHE A 33 -6.119 -6.564 4.170 1.00 0.00 C ATOM 547 O PHE A 33 -7.339 -6.397 4.191 1.00 0.00 O ATOM 548 CB PHE A 33 -5.511 -6.894 1.768 1.00 0.00 C ATOM 549 CG PHE A 33 -4.444 -5.829 1.674 1.00 0.00 C ATOM 550 CD1 PHE A 33 -4.716 -4.522 2.100 1.00 0.00 C ATOM 551 CD2 PHE A 33 -3.178 -6.148 1.166 1.00 0.00 C ATOM 552 CE1 PHE A 33 -3.726 -3.537 2.016 1.00 0.00 C ATOM 553 CE2 PHE A 33 -2.188 -5.162 1.082 1.00 0.00 C ATOM 554 CZ PHE A 33 -2.462 -3.856 1.508 1.00 0.00 C ATOM 0 H PHE A 33 -6.479 -9.121 2.223 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.455 -7.720 3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.344 -7.658 1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.491 -6.459 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.691 -4.275 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.966 -7.155 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.938 -2.530 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.213 -5.408 0.689 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.698 -3.096 1.444 1.00 0.00 H new ATOM 564 N PRO A 34 -5.319 -5.930 4.995 1.00 0.00 N ATOM 565 CA PRO A 34 -5.820 -4.959 6.012 1.00 0.00 C ATOM 566 C PRO A 34 -6.266 -3.645 5.370 1.00 0.00 C ATOM 567 O PRO A 34 -5.787 -2.569 5.729 1.00 0.00 O ATOM 568 CB PRO A 34 -4.615 -4.754 6.935 1.00 0.00 C ATOM 569 CG PRO A 34 -3.420 -5.031 6.086 1.00 0.00 C ATOM 570 CD PRO A 34 -3.852 -6.069 5.049 1.00 0.00 C ATOM 0 HA PRO A 34 -6.701 -5.323 6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.590 -3.739 7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.655 -5.428 7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.070 -4.120 5.600 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.594 -5.407 6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.397 -5.876 4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.557 -7.076 5.345 1.00 0.00 H new ATOM 578 N LYS A 35 -7.186 -3.748 4.414 1.00 0.00 N ATOM 579 CA LYS A 35 -7.704 -2.574 3.715 1.00 0.00 C ATOM 580 C LYS A 35 -8.273 -1.560 4.703 1.00 0.00 C ATOM 581 O LYS A 35 -8.342 -0.367 4.411 1.00 0.00 O ATOM 582 CB LYS A 35 -8.795 -2.993 2.723 1.00 0.00 C ATOM 583 CG LYS A 35 -9.750 -3.993 3.387 1.00 0.00 C ATOM 584 CD LYS A 35 -11.049 -4.077 2.580 1.00 0.00 C ATOM 585 CE LYS A 35 -12.092 -3.133 3.182 1.00 0.00 C ATOM 586 NZ LYS A 35 -13.192 -2.921 2.200 1.00 0.00 N ATOM 0 H LYS A 35 -7.589 -4.633 4.105 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.880 -2.109 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.349 -2.116 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.342 -3.442 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.282 -4.976 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.965 -3.682 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.860 -3.810 1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.425 -5.100 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.490 -3.554 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.630 -2.180 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.902 -2.280 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.805 -2.502 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.638 -3.833 1.976 1.00 0.00 H new ATOM 600 N THR A 36 -8.686 -2.048 5.871 1.00 0.00 N ATOM 601 CA THR A 36 -9.256 -1.183 6.897 1.00 0.00 C ATOM 602 C THR A 36 -8.209 -0.819 7.951 1.00 0.00 C ATOM 603 O THR A 36 -8.536 -0.628 9.123 1.00 0.00 O ATOM 604 CB THR A 36 -10.448 -1.886 7.559 1.00 0.00 C ATOM 605 OG1 THR A 36 -11.082 -0.992 8.464 1.00 0.00 O ATOM 606 CG2 THR A 36 -9.969 -3.130 8.317 1.00 0.00 C ATOM 0 H THR A 36 -8.636 -3.034 6.128 1.00 0.00 H new ATOM 0 HA THR A 36 -9.594 -0.261 6.424 1.00 0.00 H new ATOM 0 HB THR A 36 -11.157 -2.190 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.405 -0.562 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.822 -3.623 8.784 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.489 -3.818 7.621 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.255 -2.835 9.086 1.00 0.00 H new ATOM 614 N SER A 37 -6.950 -0.713 7.523 1.00 0.00 N ATOM 615 CA SER A 37 -5.862 -0.365 8.432 1.00 0.00 C ATOM 616 C SER A 37 -4.535 -0.352 7.682 1.00 0.00 C ATOM 617 O SER A 37 -3.978 -1.405 7.368 1.00 0.00 O ATOM 618 CB SER A 37 -5.786 -1.374 9.586 1.00 0.00 C ATOM 619 OG SER A 37 -5.455 -0.690 10.786 1.00 0.00 O ATOM 0 H SER A 37 -6.661 -0.863 6.556 1.00 0.00 H new ATOM 0 HA SER A 37 -6.058 0.628 8.838 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.741 -1.888 9.698 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.037 -2.136 9.370 1.00 0.00 H new ATOM 0 HG SER A 37 -5.407 -1.331 11.526 1.00 0.00 H new ATOM 625 N THR A 38 -4.030 0.847 7.403 1.00 0.00 N ATOM 626 CA THR A 38 -2.765 0.980 6.696 1.00 0.00 C ATOM 627 C THR A 38 -1.669 1.397 7.665 1.00 0.00 C ATOM 628 O THR A 38 -1.629 2.536 8.134 1.00 0.00 O ATOM 629 CB THR A 38 -2.892 2.011 5.562 1.00 0.00 C ATOM 630 OG1 THR A 38 -1.620 2.207 4.959 1.00 0.00 O ATOM 631 CG2 THR A 38 -3.409 3.346 6.111 1.00 0.00 C ATOM 0 H THR A 38 -4.474 1.730 7.654 1.00 0.00 H new ATOM 0 HA THR A 38 -2.503 0.016 6.260 1.00 0.00 H new ATOM 0 HB THR A 38 -3.599 1.638 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.699 2.863 4.235 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.494 4.066 5.297 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.388 3.197 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.714 3.725 6.860 1.00 0.00 H new ATOM 639 N ASP A 39 -0.780 0.459 7.952 1.00 0.00 N ATOM 640 CA ASP A 39 0.329 0.704 8.857 1.00 0.00 C ATOM 641 C ASP A 39 1.556 -0.056 8.368 1.00 0.00 C ATOM 642 O ASP A 39 1.497 -1.267 8.146 1.00 0.00 O ATOM 643 CB ASP A 39 -0.061 0.274 10.275 1.00 0.00 C ATOM 644 CG ASP A 39 1.184 0.015 11.127 1.00 0.00 C ATOM 645 OD1 ASP A 39 2.105 0.813 11.062 1.00 0.00 O ATOM 646 OD2 ASP A 39 1.193 -0.974 11.839 1.00 0.00 O ATOM 0 H ASP A 39 -0.807 -0.485 7.567 1.00 0.00 H new ATOM 0 HA ASP A 39 0.568 1.767 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.670 1.049 10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.671 -0.628 10.231 1.00 0.00 H new ATOM 651 N TYR A 40 2.657 0.663 8.184 1.00 0.00 N ATOM 652 CA TYR A 40 3.891 0.057 7.698 1.00 0.00 C ATOM 653 C TYR A 40 4.271 -1.182 8.508 1.00 0.00 C ATOM 654 O TYR A 40 4.546 -2.235 7.942 1.00 0.00 O ATOM 655 CB TYR A 40 5.031 1.077 7.763 1.00 0.00 C ATOM 656 CG TYR A 40 6.299 0.454 7.226 1.00 0.00 C ATOM 657 CD1 TYR A 40 6.429 0.203 5.854 1.00 0.00 C ATOM 658 CD2 TYR A 40 7.344 0.126 8.099 1.00 0.00 C ATOM 659 CE1 TYR A 40 7.602 -0.375 5.356 1.00 0.00 C ATOM 660 CE2 TYR A 40 8.517 -0.452 7.600 1.00 0.00 C ATOM 661 CZ TYR A 40 8.646 -0.703 6.229 1.00 0.00 C ATOM 662 OH TYR A 40 9.803 -1.273 5.737 1.00 0.00 O ATOM 0 H TYR A 40 2.721 1.665 8.364 1.00 0.00 H new ATOM 0 HA TYR A 40 3.724 -0.252 6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.774 1.962 7.181 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.182 1.404 8.792 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.624 0.456 5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.245 0.319 9.157 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.702 -0.568 4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.323 -0.704 8.273 1.00 0.00 H new ATOM 0 HH TYR A 40 10.426 -1.437 6.475 1.00 0.00 H new ATOM 672 N HIS A 41 4.310 -1.040 9.828 1.00 0.00 N ATOM 673 CA HIS A 41 4.695 -2.150 10.703 1.00 0.00 C ATOM 674 C HIS A 41 3.746 -3.344 10.583 1.00 0.00 C ATOM 675 O HIS A 41 4.192 -4.478 10.398 1.00 0.00 O ATOM 676 CB HIS A 41 4.726 -1.670 12.156 1.00 0.00 C ATOM 677 CG HIS A 41 5.726 -0.555 12.293 1.00 0.00 C ATOM 678 ND1 HIS A 41 5.540 0.680 11.694 1.00 0.00 N ATOM 679 CD2 HIS A 41 6.929 -0.477 12.950 1.00 0.00 C ATOM 680 CE1 HIS A 41 6.605 1.442 11.998 1.00 0.00 C ATOM 681 NE2 HIS A 41 7.483 0.786 12.761 1.00 0.00 N ATOM 0 H HIS A 41 4.082 -0.174 10.317 1.00 0.00 H new ATOM 0 HA HIS A 41 5.684 -2.483 10.389 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.737 -1.325 12.458 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.992 -2.495 12.817 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.377 -1.274 13.525 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.735 2.461 11.665 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.369 1.135 13.127 1.00 0.00 H new ATOM 690 N GLU A 42 2.446 -3.092 10.707 1.00 0.00 N ATOM 691 CA GLU A 42 1.456 -4.166 10.630 1.00 0.00 C ATOM 692 C GLU A 42 1.510 -4.884 9.283 1.00 0.00 C ATOM 693 O GLU A 42 1.596 -6.112 9.227 1.00 0.00 O ATOM 694 CB GLU A 42 0.051 -3.593 10.847 1.00 0.00 C ATOM 695 CG GLU A 42 -0.988 -4.718 10.794 1.00 0.00 C ATOM 696 CD GLU A 42 -2.394 -4.125 10.749 1.00 0.00 C ATOM 697 OE1 GLU A 42 -2.862 -3.841 9.657 1.00 0.00 O ATOM 698 OE2 GLU A 42 -2.983 -3.962 11.805 1.00 0.00 O ATOM 0 H GLU A 42 2.054 -2.163 10.860 1.00 0.00 H new ATOM 0 HA GLU A 42 1.688 -4.890 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.001 -3.086 11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.169 -2.848 10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.818 -5.341 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.884 -5.363 11.667 1.00 0.00 H new ATOM 705 N ILE A 43 1.449 -4.113 8.203 1.00 0.00 N ATOM 706 CA ILE A 43 1.476 -4.687 6.861 1.00 0.00 C ATOM 707 C ILE A 43 2.848 -5.289 6.548 1.00 0.00 C ATOM 708 O ILE A 43 2.936 -6.360 5.944 1.00 0.00 O ATOM 709 CB ILE A 43 1.102 -3.610 5.833 1.00 0.00 C ATOM 710 CG1 ILE A 43 -0.421 -3.400 5.868 1.00 0.00 C ATOM 711 CG2 ILE A 43 1.520 -4.056 4.428 1.00 0.00 C ATOM 712 CD1 ILE A 43 -0.771 -1.979 5.414 1.00 0.00 C ATOM 0 H ILE A 43 1.381 -3.096 8.229 1.00 0.00 H new ATOM 0 HA ILE A 43 0.746 -5.495 6.809 1.00 0.00 H new ATOM 0 HB ILE A 43 1.617 -2.681 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.910 -4.127 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.795 -3.569 6.878 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.250 -3.285 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.598 -4.216 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.010 -4.985 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.852 -1.844 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.297 -1.257 6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.413 -1.824 4.396 1.00 0.00 H new ATOM 724 N SER A 44 3.912 -4.605 6.963 1.00 0.00 N ATOM 725 CA SER A 44 5.270 -5.095 6.720 1.00 0.00 C ATOM 726 C SER A 44 5.418 -6.539 7.197 1.00 0.00 C ATOM 727 O SER A 44 5.888 -7.401 6.454 1.00 0.00 O ATOM 728 CB SER A 44 6.290 -4.211 7.441 1.00 0.00 C ATOM 729 OG SER A 44 7.576 -4.812 7.360 1.00 0.00 O ATOM 0 H SER A 44 3.863 -3.718 7.465 1.00 0.00 H new ATOM 0 HA SER A 44 5.456 -5.058 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.311 -3.219 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.002 -4.081 8.484 1.00 0.00 H new ATOM 0 HG SER A 44 8.231 -4.246 7.820 1.00 0.00 H new ATOM 735 N SER A 45 5.015 -6.792 8.442 1.00 0.00 N ATOM 736 CA SER A 45 5.108 -8.131 9.012 1.00 0.00 C ATOM 737 C SER A 45 4.225 -9.107 8.244 1.00 0.00 C ATOM 738 O SER A 45 4.611 -10.250 8.006 1.00 0.00 O ATOM 739 CB SER A 45 4.686 -8.103 10.482 1.00 0.00 C ATOM 740 OG SER A 45 5.293 -9.193 11.164 1.00 0.00 O ATOM 0 H SER A 45 4.623 -6.090 9.070 1.00 0.00 H new ATOM 0 HA SER A 45 6.143 -8.464 8.938 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.984 -7.160 10.940 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.601 -8.167 10.562 1.00 0.00 H new ATOM 0 HG SER A 45 5.027 -9.178 12.107 1.00 0.00 H new ATOM 746 N TYR A 46 3.035 -8.649 7.858 1.00 0.00 N ATOM 747 CA TYR A 46 2.100 -9.495 7.122 1.00 0.00 C ATOM 748 C TYR A 46 2.718 -9.965 5.810 1.00 0.00 C ATOM 749 O TYR A 46 2.631 -11.142 5.463 1.00 0.00 O ATOM 750 CB TYR A 46 0.808 -8.722 6.838 1.00 0.00 C ATOM 751 CG TYR A 46 -0.325 -9.696 6.601 1.00 0.00 C ATOM 752 CD1 TYR A 46 -0.842 -10.441 7.669 1.00 0.00 C ATOM 753 CD2 TYR A 46 -0.861 -9.851 5.316 1.00 0.00 C ATOM 754 CE1 TYR A 46 -1.892 -11.341 7.452 1.00 0.00 C ATOM 755 CE2 TYR A 46 -1.911 -10.753 5.099 1.00 0.00 C ATOM 756 CZ TYR A 46 -2.427 -11.497 6.168 1.00 0.00 C ATOM 757 OH TYR A 46 -3.462 -12.385 5.957 1.00 0.00 O ATOM 0 H TYR A 46 2.698 -7.704 8.041 1.00 0.00 H new ATOM 0 HA TYR A 46 1.872 -10.369 7.732 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.570 -8.070 7.678 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.939 -8.082 5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.430 -10.321 8.660 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.465 -9.275 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.290 -11.915 8.276 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.322 -10.875 4.108 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.005 -12.454 6.770 1.00 0.00 H new ATOM 767 N LEU A 47 3.345 -9.041 5.088 1.00 0.00 N ATOM 768 CA LEU A 47 3.978 -9.377 3.816 1.00 0.00 C ATOM 769 C LEU A 47 5.258 -10.172 4.054 1.00 0.00 C ATOM 770 O LEU A 47 5.587 -11.079 3.290 1.00 0.00 O ATOM 771 CB LEU A 47 4.299 -8.101 3.036 1.00 0.00 C ATOM 772 CG LEU A 47 3.002 -7.342 2.735 1.00 0.00 C ATOM 773 CD1 LEU A 47 3.338 -6.001 2.082 1.00 0.00 C ATOM 774 CD2 LEU A 47 2.130 -8.167 1.783 1.00 0.00 C ATOM 0 H LEU A 47 3.428 -8.061 5.359 1.00 0.00 H new ATOM 0 HA LEU A 47 3.287 -9.987 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.976 -7.471 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.811 -8.350 2.106 1.00 0.00 H new ATOM 0 HG LEU A 47 2.460 -7.171 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.417 -5.460 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.956 -5.411 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.882 -6.175 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.209 -7.624 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.671 -8.341 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.889 -9.124 2.247 1.00 0.00 H new ATOM 786 N GLU A 48 5.970 -9.827 5.125 1.00 0.00 N ATOM 787 CA GLU A 48 7.209 -10.516 5.466 1.00 0.00 C ATOM 788 C GLU A 48 6.924 -11.977 5.796 1.00 0.00 C ATOM 789 O GLU A 48 7.587 -12.881 5.283 1.00 0.00 O ATOM 790 CB GLU A 48 7.871 -9.840 6.671 1.00 0.00 C ATOM 791 CG GLU A 48 8.805 -8.726 6.187 1.00 0.00 C ATOM 792 CD GLU A 48 9.299 -7.894 7.370 1.00 0.00 C ATOM 793 OE1 GLU A 48 9.456 -8.452 8.446 1.00 0.00 O ATOM 794 OE2 GLU A 48 9.520 -6.709 7.183 1.00 0.00 O ATOM 0 H GLU A 48 5.711 -9.078 5.767 1.00 0.00 H new ATOM 0 HA GLU A 48 7.882 -10.466 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.110 -9.428 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.433 -10.574 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.654 -9.159 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.281 -8.086 5.477 1.00 0.00 H new ATOM 801 N LEU A 49 5.932 -12.198 6.654 1.00 0.00 N ATOM 802 CA LEU A 49 5.559 -13.551 7.050 1.00 0.00 C ATOM 803 C LEU A 49 5.000 -14.320 5.856 1.00 0.00 C ATOM 804 O LEU A 49 5.244 -15.518 5.709 1.00 0.00 O ATOM 805 CB LEU A 49 4.510 -13.495 8.167 1.00 0.00 C ATOM 806 CG LEU A 49 5.106 -12.796 9.398 1.00 0.00 C ATOM 807 CD1 LEU A 49 3.997 -12.080 10.176 1.00 0.00 C ATOM 808 CD2 LEU A 49 5.774 -13.837 10.302 1.00 0.00 C ATOM 0 H LEU A 49 5.375 -11.461 7.086 1.00 0.00 H new ATOM 0 HA LEU A 49 6.448 -14.066 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.626 -12.958 7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.188 -14.503 8.429 1.00 0.00 H new ATOM 0 HG LEU A 49 5.846 -12.065 9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.425 -11.586 11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.524 -11.337 9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.252 -12.807 10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.197 -13.342 11.176 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.033 -14.569 10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.568 -14.342 9.751 1.00 0.00 H new ATOM 820 N ASN A 50 4.260 -13.617 4.999 1.00 0.00 N ATOM 821 CA ASN A 50 3.681 -14.236 3.811 1.00 0.00 C ATOM 822 C ASN A 50 4.786 -14.640 2.837 1.00 0.00 C ATOM 823 O ASN A 50 5.476 -13.785 2.280 1.00 0.00 O ATOM 824 CB ASN A 50 2.719 -13.260 3.126 1.00 0.00 C ATOM 825 CG ASN A 50 1.734 -14.013 2.234 1.00 0.00 C ATOM 826 OD1 ASN A 50 2.035 -15.207 1.797 1.00 0.00 O flip ATOM 827 ND2 ASN A 50 0.660 -13.498 1.925 1.00 0.00 N flip ATOM 0 H ASN A 50 4.049 -12.625 5.105 1.00 0.00 H new ATOM 0 HA ASN A 50 3.131 -15.127 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.174 -12.690 3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.283 -12.543 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.425 -12.566 2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.005 -14.003 1.328 1.00 0.00 H new ATOM 834 N ALA A 51 4.951 -15.945 2.638 1.00 0.00 N ATOM 835 CA ALA A 51 5.978 -16.451 1.733 1.00 0.00 C ATOM 836 C ALA A 51 5.649 -16.100 0.282 1.00 0.00 C ATOM 837 O ALA A 51 6.548 -15.897 -0.535 1.00 0.00 O ATOM 838 CB ALA A 51 6.096 -17.970 1.879 1.00 0.00 C ATOM 0 H ALA A 51 4.390 -16.668 3.089 1.00 0.00 H new ATOM 0 HA ALA A 51 6.926 -15.982 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.864 -18.342 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.367 -18.217 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.141 -18.434 1.635 1.00 0.00 H new ATOM 844 N ASP A 52 4.356 -16.039 -0.031 1.00 0.00 N ATOM 845 CA ASP A 52 3.917 -15.720 -1.389 1.00 0.00 C ATOM 846 C ASP A 52 4.306 -14.294 -1.769 1.00 0.00 C ATOM 847 O ASP A 52 4.609 -14.015 -2.929 1.00 0.00 O ATOM 848 CB ASP A 52 2.399 -15.882 -1.502 1.00 0.00 C ATOM 849 CG ASP A 52 2.000 -17.319 -1.180 1.00 0.00 C ATOM 850 OD1 ASP A 52 2.002 -18.133 -2.090 1.00 0.00 O ATOM 851 OD2 ASP A 52 1.701 -17.586 -0.027 1.00 0.00 O ATOM 0 H ASP A 52 3.598 -16.205 0.632 1.00 0.00 H new ATOM 0 HA ASP A 52 4.410 -16.410 -2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.900 -15.196 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.072 -15.622 -2.509 1.00 0.00 H new ATOM 856 N TYR A 53 4.292 -13.394 -0.788 1.00 0.00 N ATOM 857 CA TYR A 53 4.642 -11.999 -1.038 1.00 0.00 C ATOM 858 C TYR A 53 6.118 -11.754 -0.737 1.00 0.00 C ATOM 859 O TYR A 53 6.709 -10.787 -1.220 1.00 0.00 O ATOM 860 CB TYR A 53 3.778 -11.078 -0.171 1.00 0.00 C ATOM 861 CG TYR A 53 2.377 -11.009 -0.740 1.00 0.00 C ATOM 862 CD1 TYR A 53 1.567 -12.151 -0.755 1.00 0.00 C ATOM 863 CD2 TYR A 53 1.890 -9.800 -1.255 1.00 0.00 C ATOM 864 CE1 TYR A 53 0.272 -12.084 -1.282 1.00 0.00 C ATOM 865 CE2 TYR A 53 0.595 -9.734 -1.781 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.215 -10.877 -1.794 1.00 0.00 C ATOM 867 OH TYR A 53 -1.491 -10.811 -2.314 1.00 0.00 O ATOM 0 H TYR A 53 4.044 -13.604 0.179 1.00 0.00 H new ATOM 0 HA TYR A 53 4.458 -11.781 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.747 -11.450 0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.216 -10.080 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.941 -13.084 -0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.514 -8.919 -1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.352 -12.965 -1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.220 -8.802 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.998 -11.604 -2.039 1.00 0.00 H new ATOM 877 N LEU A 54 6.711 -12.639 0.063 1.00 0.00 N ATOM 878 CA LEU A 54 8.122 -12.520 0.419 1.00 0.00 C ATOM 879 C LEU A 54 8.994 -12.453 -0.834 1.00 0.00 C ATOM 880 O LEU A 54 9.985 -11.723 -0.875 1.00 0.00 O ATOM 881 CB LEU A 54 8.544 -13.718 1.279 1.00 0.00 C ATOM 882 CG LEU A 54 9.970 -13.512 1.803 1.00 0.00 C ATOM 883 CD1 LEU A 54 9.964 -12.477 2.931 1.00 0.00 C ATOM 884 CD2 LEU A 54 10.511 -14.842 2.337 1.00 0.00 C ATOM 0 H LEU A 54 6.237 -13.443 0.475 1.00 0.00 H new ATOM 0 HA LEU A 54 8.258 -11.599 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.854 -13.837 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.493 -14.634 0.691 1.00 0.00 H new ATOM 0 HG LEU A 54 10.604 -13.156 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.980 -12.335 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.579 -11.530 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.329 -12.829 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.525 -14.699 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.873 -15.196 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.521 -15.579 1.534 1.00 0.00 H new ATOM 896 N HIS A 55 8.617 -13.232 -1.846 1.00 0.00 N ATOM 897 CA HIS A 55 9.367 -13.281 -3.100 1.00 0.00 C ATOM 898 C HIS A 55 9.252 -11.968 -3.878 1.00 0.00 C ATOM 899 O HIS A 55 9.797 -11.846 -4.976 1.00 0.00 O ATOM 900 CB HIS A 55 8.847 -14.430 -3.969 1.00 0.00 C ATOM 901 CG HIS A 55 9.189 -15.750 -3.330 1.00 0.00 C ATOM 902 ND1 HIS A 55 9.854 -15.840 -2.116 1.00 0.00 N ATOM 903 CD2 HIS A 55 8.965 -17.044 -3.731 1.00 0.00 C ATOM 904 CE1 HIS A 55 10.004 -17.147 -1.832 1.00 0.00 C ATOM 905 NE2 HIS A 55 9.480 -17.923 -2.783 1.00 0.00 N ATOM 0 H HIS A 55 7.797 -13.838 -1.822 1.00 0.00 H new ATOM 0 HA HIS A 55 10.417 -13.441 -2.853 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.767 -14.345 -4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 55 9.287 -14.373 -4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.465 -17.335 -4.643 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.489 -17.522 -0.943 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.461 -18.942 -2.809 1.00 0.00 H new ATOM 914 N THR A 56 8.544 -10.993 -3.312 1.00 0.00 N ATOM 915 CA THR A 56 8.376 -9.702 -3.979 1.00 0.00 C ATOM 916 C THR A 56 8.360 -8.562 -2.959 1.00 0.00 C ATOM 917 O THR A 56 7.681 -7.552 -3.148 1.00 0.00 O ATOM 918 CB THR A 56 7.080 -9.702 -4.802 1.00 0.00 C ATOM 919 OG1 THR A 56 6.941 -8.457 -5.472 1.00 0.00 O ATOM 920 CG2 THR A 56 5.873 -9.929 -3.887 1.00 0.00 C ATOM 0 H THR A 56 8.083 -11.069 -2.405 1.00 0.00 H new ATOM 0 HA THR A 56 9.221 -9.545 -4.649 1.00 0.00 H new ATOM 0 HB THR A 56 7.126 -10.508 -5.535 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.114 -8.459 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.960 -9.927 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.975 -10.890 -3.382 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.824 -9.132 -3.145 1.00 0.00 H new ATOM 928 N MET A 57 9.123 -8.729 -1.880 1.00 0.00 N ATOM 929 CA MET A 57 9.199 -7.706 -0.842 1.00 0.00 C ATOM 930 C MET A 57 9.773 -6.412 -1.414 1.00 0.00 C ATOM 931 O MET A 57 9.384 -5.316 -1.009 1.00 0.00 O ATOM 932 CB MET A 57 10.084 -8.195 0.310 1.00 0.00 C ATOM 933 CG MET A 57 9.267 -9.088 1.249 1.00 0.00 C ATOM 934 SD MET A 57 9.045 -8.253 2.842 1.00 0.00 S ATOM 935 CE MET A 57 7.853 -7.009 2.288 1.00 0.00 C ATOM 0 H MET A 57 9.693 -9.557 -1.704 1.00 0.00 H new ATOM 0 HA MET A 57 8.193 -7.513 -0.469 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.936 -8.749 -0.084 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.484 -7.343 0.860 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.297 -9.309 0.804 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.775 -10.041 1.394 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.480 -6.454 3.149 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.339 -6.322 1.596 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.020 -7.501 1.786 1.00 0.00 H new ATOM 945 N ALA A 58 10.700 -6.553 -2.360 1.00 0.00 N ATOM 946 CA ALA A 58 11.328 -5.396 -2.993 1.00 0.00 C ATOM 947 C ALA A 58 10.285 -4.528 -3.692 1.00 0.00 C ATOM 948 O ALA A 58 10.406 -3.302 -3.728 1.00 0.00 O ATOM 949 CB ALA A 58 12.374 -5.858 -4.010 1.00 0.00 C ATOM 0 H ALA A 58 11.032 -7.454 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 58 11.812 -4.804 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.837 -4.988 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.138 -6.448 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.893 -6.468 -4.775 1.00 0.00 H new ATOM 955 N THR A 59 9.261 -5.174 -4.245 1.00 0.00 N ATOM 956 CA THR A 59 8.201 -4.454 -4.942 1.00 0.00 C ATOM 957 C THR A 59 7.327 -3.706 -3.942 1.00 0.00 C ATOM 958 O THR A 59 6.904 -2.578 -4.196 1.00 0.00 O ATOM 959 CB THR A 59 7.344 -5.438 -5.747 1.00 0.00 C ATOM 960 OG1 THR A 59 8.187 -6.223 -6.579 1.00 0.00 O ATOM 961 CG2 THR A 59 6.344 -4.669 -6.615 1.00 0.00 C ATOM 0 H THR A 59 9.144 -6.187 -4.224 1.00 0.00 H new ATOM 0 HA THR A 59 8.654 -3.733 -5.623 1.00 0.00 H new ATOM 0 HB THR A 59 6.798 -6.085 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.999 -7.173 -6.432 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.738 -5.374 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.697 -4.067 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.884 -4.018 -7.302 1.00 0.00 H new ATOM 969 N PHE A 60 7.072 -4.337 -2.797 1.00 0.00 N ATOM 970 CA PHE A 60 6.261 -3.714 -1.759 1.00 0.00 C ATOM 971 C PHE A 60 6.956 -2.460 -1.242 1.00 0.00 C ATOM 972 O PHE A 60 6.350 -1.391 -1.162 1.00 0.00 O ATOM 973 CB PHE A 60 6.032 -4.695 -0.603 1.00 0.00 C ATOM 974 CG PHE A 60 5.442 -3.956 0.579 1.00 0.00 C ATOM 975 CD1 PHE A 60 4.153 -3.414 0.494 1.00 0.00 C ATOM 976 CD2 PHE A 60 6.186 -3.810 1.757 1.00 0.00 C ATOM 977 CE1 PHE A 60 3.609 -2.726 1.585 1.00 0.00 C ATOM 978 CE2 PHE A 60 5.641 -3.123 2.849 1.00 0.00 C ATOM 979 CZ PHE A 60 4.354 -2.581 2.763 1.00 0.00 C ATOM 0 H PHE A 60 7.413 -5.271 -2.568 1.00 0.00 H new ATOM 0 HA PHE A 60 5.296 -3.441 -2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.360 -5.494 -0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.974 -5.164 -0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.579 -3.527 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.180 -4.227 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.616 -2.307 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.214 -3.012 3.758 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.934 -2.051 3.605 1.00 0.00 H new ATOM 989 N ASP A 61 8.238 -2.599 -0.902 1.00 0.00 N ATOM 990 CA ASP A 61 9.018 -1.471 -0.406 1.00 0.00 C ATOM 991 C ASP A 61 8.892 -0.291 -1.363 1.00 0.00 C ATOM 992 O ASP A 61 8.666 0.845 -0.940 1.00 0.00 O ATOM 993 CB ASP A 61 10.492 -1.871 -0.268 1.00 0.00 C ATOM 994 CG ASP A 61 11.280 -0.799 0.492 1.00 0.00 C ATOM 995 OD1 ASP A 61 10.658 0.049 1.114 1.00 0.00 O ATOM 996 OD2 ASP A 61 12.498 -0.845 0.441 1.00 0.00 O ATOM 0 H ASP A 61 8.753 -3.477 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 61 8.635 -1.181 0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.567 -2.824 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.928 -2.016 -1.256 1.00 0.00 H new ATOM 1001 N GLU A 62 9.029 -0.575 -2.655 1.00 0.00 N ATOM 1002 CA GLU A 62 8.919 0.459 -3.677 1.00 0.00 C ATOM 1003 C GLU A 62 7.494 1.002 -3.726 1.00 0.00 C ATOM 1004 O GLU A 62 7.284 2.205 -3.885 1.00 0.00 O ATOM 1005 CB GLU A 62 9.305 -0.116 -5.044 1.00 0.00 C ATOM 1006 CG GLU A 62 9.020 0.917 -6.142 1.00 0.00 C ATOM 1007 CD GLU A 62 9.577 0.445 -7.485 1.00 0.00 C ATOM 1008 OE1 GLU A 62 10.552 -0.291 -7.482 1.00 0.00 O ATOM 1009 OE2 GLU A 62 9.022 0.832 -8.501 1.00 0.00 O ATOM 0 H GLU A 62 9.216 -1.510 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 62 9.598 1.274 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.361 -0.385 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.742 -1.029 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.945 1.080 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.467 1.874 -5.873 1.00 0.00 H new ATOM 1016 N ALA A 63 6.516 0.107 -3.583 1.00 0.00 N ATOM 1017 CA ALA A 63 5.116 0.514 -3.608 1.00 0.00 C ATOM 1018 C ALA A 63 4.828 1.468 -2.456 1.00 0.00 C ATOM 1019 O ALA A 63 4.221 2.523 -2.649 1.00 0.00 O ATOM 1020 CB ALA A 63 4.208 -0.715 -3.503 1.00 0.00 C ATOM 0 H ALA A 63 6.667 -0.893 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 63 4.916 1.024 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.165 -0.399 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.401 -1.383 -4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.411 -1.239 -2.569 1.00 0.00 H new ATOM 1026 N TRP A 64 5.283 1.100 -1.259 1.00 0.00 N ATOM 1027 CA TRP A 64 5.085 1.941 -0.085 1.00 0.00 C ATOM 1028 C TRP A 64 5.650 3.335 -0.339 1.00 0.00 C ATOM 1029 O TRP A 64 4.988 4.340 -0.073 1.00 0.00 O ATOM 1030 CB TRP A 64 5.764 1.321 1.140 1.00 0.00 C ATOM 1031 CG TRP A 64 5.244 1.981 2.378 1.00 0.00 C ATOM 1032 CD1 TRP A 64 5.814 3.045 2.986 1.00 0.00 C ATOM 1033 CD2 TRP A 64 4.065 1.642 3.164 1.00 0.00 C ATOM 1034 NE1 TRP A 64 5.058 3.385 4.093 1.00 0.00 N ATOM 1035 CE2 TRP A 64 3.969 2.548 4.247 1.00 0.00 C ATOM 1036 CE3 TRP A 64 3.077 0.648 3.044 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 2.933 2.469 5.177 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 2.032 0.566 3.978 1.00 0.00 C ATOM 1039 CH2 TRP A 64 1.961 1.475 5.044 1.00 0.00 C ATOM 0 H TRP A 64 5.787 0.232 -1.080 1.00 0.00 H new ATOM 0 HA TRP A 64 4.015 2.018 0.109 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.568 0.249 1.175 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.845 1.446 1.074 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.713 3.548 2.661 1.00 0.00 H new ATOM 0 HE1 TRP A 64 5.277 4.159 4.720 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.123 -0.057 2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.883 3.172 5.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.279 -0.201 3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.156 1.406 5.761 1.00 0.00 H new ATOM 1050 N ASP A 65 6.873 3.386 -0.870 1.00 0.00 N ATOM 1051 CA ASP A 65 7.513 4.661 -1.171 1.00 0.00 C ATOM 1052 C ASP A 65 6.584 5.519 -2.023 1.00 0.00 C ATOM 1053 O ASP A 65 6.487 6.731 -1.827 1.00 0.00 O ATOM 1054 CB ASP A 65 8.830 4.429 -1.918 1.00 0.00 C ATOM 1055 CG ASP A 65 9.524 5.764 -2.179 1.00 0.00 C ATOM 1056 OD1 ASP A 65 10.247 6.214 -1.307 1.00 0.00 O ATOM 1057 OD2 ASP A 65 9.317 6.319 -3.247 1.00 0.00 O ATOM 0 H ASP A 65 7.434 2.565 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 65 7.723 5.178 -0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.481 3.780 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.637 3.919 -2.862 1.00 0.00 H new ATOM 1062 N GLN A 66 5.893 4.872 -2.958 1.00 0.00 N ATOM 1063 CA GLN A 66 4.958 5.572 -3.829 1.00 0.00 C ATOM 1064 C GLN A 66 3.746 6.024 -3.026 1.00 0.00 C ATOM 1065 O GLN A 66 3.321 7.175 -3.120 1.00 0.00 O ATOM 1066 CB GLN A 66 4.509 4.647 -4.967 1.00 0.00 C ATOM 1067 CG GLN A 66 3.841 5.472 -6.071 1.00 0.00 C ATOM 1068 CD GLN A 66 4.896 6.246 -6.857 1.00 0.00 C ATOM 1069 OE1 GLN A 66 4.974 7.470 -6.755 1.00 0.00 O ATOM 1070 NE2 GLN A 66 5.718 5.599 -7.639 1.00 0.00 N ATOM 0 H GLN A 66 5.963 3.869 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 66 5.454 6.445 -4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.367 4.109 -5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.813 3.899 -4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.286 4.816 -6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.121 6.164 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.651 4.585 -7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.427 6.108 -8.167 1.00 0.00 H new ATOM 1079 N TYR A 67 3.205 5.108 -2.225 1.00 0.00 N ATOM 1080 CA TYR A 67 2.048 5.416 -1.393 1.00 0.00 C ATOM 1081 C TYR A 67 2.309 6.683 -0.580 1.00 0.00 C ATOM 1082 O TYR A 67 1.537 7.640 -0.640 1.00 0.00 O ATOM 1083 CB TYR A 67 1.758 4.235 -0.458 1.00 0.00 C ATOM 1084 CG TYR A 67 0.778 4.654 0.614 1.00 0.00 C ATOM 1085 CD1 TYR A 67 -0.580 4.791 0.307 1.00 0.00 C ATOM 1086 CD2 TYR A 67 1.231 4.906 1.915 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -1.487 5.180 1.299 1.00 0.00 C ATOM 1088 CE2 TYR A 67 0.325 5.296 2.908 1.00 0.00 C ATOM 1089 CZ TYR A 67 -1.034 5.432 2.600 1.00 0.00 C ATOM 1090 OH TYR A 67 -1.928 5.817 3.578 1.00 0.00 O ATOM 0 H TYR A 67 3.549 4.152 -2.136 1.00 0.00 H new ATOM 0 HA TYR A 67 1.181 5.586 -2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.351 3.400 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.684 3.887 -0.000 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.929 4.596 -0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.279 4.799 2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.535 5.286 1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.674 5.492 3.911 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.842 5.638 3.274 1.00 0.00 H new ATOM 1100 N GLU A 68 3.409 6.682 0.171 1.00 0.00 N ATOM 1101 CA GLU A 68 3.776 7.838 0.985 1.00 0.00 C ATOM 1102 C GLU A 68 3.867 9.098 0.127 1.00 0.00 C ATOM 1103 O GLU A 68 3.285 10.124 0.456 1.00 0.00 O ATOM 1104 CB GLU A 68 5.124 7.590 1.667 1.00 0.00 C ATOM 1105 CG GLU A 68 5.006 6.403 2.626 1.00 0.00 C ATOM 1106 CD GLU A 68 6.273 6.284 3.470 1.00 0.00 C ATOM 1107 OE1 GLU A 68 7.310 5.972 2.906 1.00 0.00 O ATOM 1108 OE2 GLU A 68 6.186 6.506 4.668 1.00 0.00 O ATOM 0 H GLU A 68 4.058 5.898 0.232 1.00 0.00 H new ATOM 0 HA GLU A 68 3.004 7.982 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.890 7.390 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.436 8.481 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.139 6.533 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.847 5.484 2.062 1.00 0.00 H new ATOM 1115 N SER A 69 4.602 9.008 -0.977 1.00 0.00 N ATOM 1116 CA SER A 69 4.775 10.147 -1.881 1.00 0.00 C ATOM 1117 C SER A 69 3.429 10.768 -2.251 1.00 0.00 C ATOM 1118 O SER A 69 3.348 11.954 -2.570 1.00 0.00 O ATOM 1119 CB SER A 69 5.494 9.696 -3.153 1.00 0.00 C ATOM 1120 OG SER A 69 6.800 9.246 -2.820 1.00 0.00 O ATOM 0 H SER A 69 5.088 8.160 -1.270 1.00 0.00 H new ATOM 0 HA SER A 69 5.372 10.899 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.934 8.896 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.551 10.520 -3.864 1.00 0.00 H new ATOM 0 HG SER A 69 6.762 8.307 -2.543 1.00 0.00 H new ATOM 1126 N GLU A 70 2.382 9.951 -2.223 1.00 0.00 N ATOM 1127 CA GLU A 70 1.041 10.409 -2.575 1.00 0.00 C ATOM 1128 C GLU A 70 0.353 11.107 -1.400 1.00 0.00 C ATOM 1129 O GLU A 70 -0.140 12.228 -1.538 1.00 0.00 O ATOM 1130 CB GLU A 70 0.186 9.220 -3.028 1.00 0.00 C ATOM 1131 CG GLU A 70 0.927 8.429 -4.112 1.00 0.00 C ATOM 1132 CD GLU A 70 0.296 8.680 -5.480 1.00 0.00 C ATOM 1133 OE1 GLU A 70 -0.884 8.407 -5.628 1.00 0.00 O ATOM 1134 OE2 GLU A 70 1.003 9.139 -6.362 1.00 0.00 O ATOM 0 H GLU A 70 2.435 8.967 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 70 1.142 11.129 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.032 8.573 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.770 9.574 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.977 8.720 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.896 7.364 -3.880 1.00 0.00 H new ATOM 1141 N VAL A 71 0.280 10.421 -0.262 1.00 0.00 N ATOM 1142 CA VAL A 71 -0.401 10.964 0.915 1.00 0.00 C ATOM 1143 C VAL A 71 0.525 11.821 1.787 1.00 0.00 C ATOM 1144 O VAL A 71 0.051 12.591 2.624 1.00 0.00 O ATOM 1145 CB VAL A 71 -0.952 9.802 1.750 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -1.981 10.324 2.758 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -1.616 8.780 0.820 1.00 0.00 C ATOM 0 H VAL A 71 0.681 9.493 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.206 11.610 0.564 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.134 9.328 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.368 9.492 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.507 11.048 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.802 10.803 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.009 7.952 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.432 9.258 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.880 8.402 0.110 1.00 0.00 H new ATOM 1157 N HIS A 72 1.833 11.694 1.593 1.00 0.00 N ATOM 1158 CA HIS A 72 2.788 12.474 2.380 1.00 0.00 C ATOM 1159 C HIS A 72 2.851 13.916 1.878 1.00 0.00 C ATOM 1160 O HIS A 72 3.565 14.749 2.439 1.00 0.00 O ATOM 1161 CB HIS A 72 4.182 11.836 2.309 1.00 0.00 C ATOM 1162 CG HIS A 72 5.070 12.415 3.380 1.00 0.00 C ATOM 1163 ND1 HIS A 72 4.573 13.179 4.427 1.00 0.00 N ATOM 1164 CD2 HIS A 72 6.426 12.342 3.582 1.00 0.00 C ATOM 1165 CE1 HIS A 72 5.615 13.531 5.202 1.00 0.00 C ATOM 1166 NE2 HIS A 72 6.768 13.047 4.733 1.00 0.00 N ATOM 0 H HIS A 72 2.255 11.068 0.907 1.00 0.00 H new ATOM 0 HA HIS A 72 2.451 12.480 3.417 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.103 10.756 2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.621 12.011 1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.122 11.817 2.945 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.529 14.132 6.095 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.699 13.168 5.132 1.00 0.00 H new ATOM 1175 N GLY A 73 2.090 14.207 0.826 1.00 0.00 N ATOM 1176 CA GLY A 73 2.058 15.554 0.264 1.00 0.00 C ATOM 1177 C GLY A 73 1.046 16.420 1.006 1.00 0.00 C ATOM 1178 O GLY A 73 1.092 17.649 0.931 1.00 0.00 O ATOM 0 H GLY A 73 1.491 13.533 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.048 16.005 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.798 15.507 -0.794 1.00 0.00 H new ATOM 1182 N ARG A 74 0.138 15.767 1.727 1.00 0.00 N ATOM 1183 CA ARG A 74 -0.884 16.470 2.489 1.00 0.00 C ATOM 1184 C ARG A 74 -0.338 16.934 3.829 1.00 0.00 C ATOM 1185 O ARG A 74 0.714 17.568 3.899 1.00 0.00 O ATOM 1186 CB ARG A 74 -2.084 15.554 2.715 1.00 0.00 C ATOM 1187 CG ARG A 74 -2.476 14.873 1.399 1.00 0.00 C ATOM 1188 CD ARG A 74 -3.663 13.937 1.637 1.00 0.00 C ATOM 1189 NE ARG A 74 -4.890 14.709 1.809 1.00 0.00 N ATOM 1190 CZ ARG A 74 -6.024 14.134 2.204 1.00 0.00 C ATOM 1191 NH1 ARG A 74 -6.059 12.851 2.449 1.00 0.00 N ATOM 1192 NH2 ARG A 74 -7.103 14.852 2.347 1.00 0.00 N ATOM 0 H ARG A 74 0.091 14.751 1.798 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.194 17.346 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.842 14.802 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.925 16.130 3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.736 15.624 0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.630 14.310 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.770 13.253 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.482 13.327 2.522 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.878 15.712 1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.216 12.287 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.929 12.413 2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.078 15.854 2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.972 14.412 2.650 1.00 0.00 H new ATOM 1206 N LEU A 75 -1.084 16.628 4.883 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.705 17.024 6.234 1.00 0.00 C ATOM 1208 C LEU A 75 -0.672 18.542 6.307 1.00 0.00 C ATOM 1209 O LEU A 75 0.139 19.134 7.022 1.00 0.00 O ATOM 1210 CB LEU A 75 0.667 16.436 6.611 1.00 0.00 C ATOM 1211 CG LEU A 75 0.515 14.970 7.044 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -0.443 14.874 8.237 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -0.036 14.140 5.878 1.00 0.00 C ATOM 0 H LEU A 75 -1.958 16.105 4.828 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.436 16.637 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.346 16.503 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.110 17.017 7.419 1.00 0.00 H new ATOM 0 HG LEU A 75 1.492 14.583 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.546 13.831 8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.047 15.455 9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.419 15.267 7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.142 13.101 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.009 14.531 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.651 14.197 5.034 1.00 0.00 H new ATOM 1225 N GLU A 76 -1.564 19.160 5.536 1.00 0.00 N ATOM 1226 CA GLU A 76 -1.653 20.611 5.474 1.00 0.00 C ATOM 1227 C GLU A 76 -2.268 21.183 6.753 1.00 0.00 C ATOM 1228 O GLU A 76 -2.878 22.253 6.732 1.00 0.00 O ATOM 1229 CB GLU A 76 -2.498 21.026 4.266 1.00 0.00 C ATOM 1230 CG GLU A 76 -2.029 20.267 3.020 1.00 0.00 C ATOM 1231 CD GLU A 76 -2.902 20.638 1.824 1.00 0.00 C ATOM 1232 OE1 GLU A 76 -2.837 21.780 1.399 1.00 0.00 O ATOM 1233 OE2 GLU A 76 -3.621 19.772 1.349 1.00 0.00 O ATOM 0 H GLU A 76 -2.237 18.673 4.944 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.644 21.010 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.550 20.815 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.413 22.100 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.987 20.507 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.079 19.193 3.198 1.00 0.00 H new ATOM 1240 N HIS A 77 -2.105 20.465 7.861 1.00 0.00 N ATOM 1241 CA HIS A 77 -2.649 20.906 9.143 1.00 0.00 C ATOM 1242 C HIS A 77 -1.698 20.545 10.281 1.00 0.00 C ATOM 1243 O HIS A 77 -0.873 19.639 10.151 1.00 0.00 O ATOM 1244 CB HIS A 77 -4.009 20.247 9.384 1.00 0.00 C ATOM 1245 CG HIS A 77 -3.905 18.766 9.128 1.00 0.00 C ATOM 1246 ND1 HIS A 77 -3.606 17.862 10.136 1.00 0.00 N ATOM 1247 CD2 HIS A 77 -4.053 18.019 7.986 1.00 0.00 C ATOM 1248 CE1 HIS A 77 -3.583 16.634 9.585 1.00 0.00 C ATOM 1249 NE2 HIS A 77 -3.849 16.674 8.276 1.00 0.00 N ATOM 0 H HIS A 77 -1.602 19.578 7.898 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.768 21.989 9.115 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.335 20.427 10.408 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.760 20.688 8.728 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.292 18.415 7.010 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.375 15.727 10.134 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.893 15.887 7.628 1.00 0.00 H new ATOM 1258 N HIS A 78 -1.828 21.257 11.398 1.00 0.00 N ATOM 1259 CA HIS A 78 -0.983 21.006 12.562 1.00 0.00 C ATOM 1260 C HIS A 78 -1.618 21.600 13.817 1.00 0.00 C ATOM 1261 O HIS A 78 -1.774 22.815 13.932 1.00 0.00 O ATOM 1262 CB HIS A 78 0.407 21.616 12.347 1.00 0.00 C ATOM 1263 CG HIS A 78 1.291 21.298 13.525 1.00 0.00 C ATOM 1264 ND1 HIS A 78 1.043 20.224 14.367 1.00 0.00 N ATOM 1265 CD2 HIS A 78 2.421 21.903 14.013 1.00 0.00 C ATOM 1266 CE1 HIS A 78 2.006 20.216 15.308 1.00 0.00 C ATOM 1267 NE2 HIS A 78 2.871 21.219 15.138 1.00 0.00 N ATOM 0 H HIS A 78 -2.507 22.008 11.521 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.884 19.928 12.692 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.849 21.223 11.432 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.325 22.696 12.223 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.891 22.778 13.588 1.00 0.00 H new ATOM 0 HE1 HIS A 78 2.071 19.488 16.103 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.687 21.437 15.710 1.00 0.00 H new ATOM 1276 N HIS A 79 -1.983 20.728 14.753 1.00 0.00 N ATOM 1277 CA HIS A 79 -2.605 21.168 15.999 1.00 0.00 C ATOM 1278 C HIS A 79 -1.548 21.664 16.983 1.00 0.00 C ATOM 1279 O HIS A 79 -0.385 21.271 16.907 1.00 0.00 O ATOM 1280 CB HIS A 79 -3.394 20.011 16.624 1.00 0.00 C ATOM 1281 CG HIS A 79 -4.370 19.470 15.615 1.00 0.00 C ATOM 1282 ND1 HIS A 79 -3.998 18.558 14.639 1.00 0.00 N ATOM 1283 CD2 HIS A 79 -5.708 19.708 15.413 1.00 0.00 C ATOM 1284 CE1 HIS A 79 -5.089 18.282 13.902 1.00 0.00 C ATOM 1285 NE2 HIS A 79 -6.158 18.958 14.330 1.00 0.00 N ATOM 0 H HIS A 79 -1.860 19.719 14.674 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.284 21.991 15.775 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.713 19.223 16.946 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.925 20.356 17.511 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.318 20.375 16.004 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.099 17.598 13.067 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.102 18.931 13.946 1.00 0.00 H new ATOM 1294 N HIS A 80 -1.970 22.534 17.903 1.00 0.00 N ATOM 1295 CA HIS A 80 -1.067 23.099 18.910 1.00 0.00 C ATOM 1296 C HIS A 80 0.045 23.915 18.249 1.00 0.00 C ATOM 1297 O HIS A 80 0.994 23.358 17.697 1.00 0.00 O ATOM 1298 CB HIS A 80 -0.453 21.986 19.767 1.00 0.00 C ATOM 1299 CG HIS A 80 -1.528 21.336 20.593 1.00 0.00 C ATOM 1300 ND1 HIS A 80 -1.891 21.816 21.842 1.00 0.00 N ATOM 1301 CD2 HIS A 80 -2.327 20.245 20.363 1.00 0.00 C ATOM 1302 CE1 HIS A 80 -2.870 21.020 22.312 1.00 0.00 C ATOM 1303 NE2 HIS A 80 -3.174 20.048 21.450 1.00 0.00 N ATOM 0 H HIS A 80 -2.933 22.864 17.972 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.652 23.760 19.550 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.028 21.245 19.129 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.320 22.397 20.416 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.303 19.632 19.474 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.351 21.152 23.270 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.876 19.317 21.563 1.00 0.00 H new ATOM 1312 N HIS A 81 -0.086 25.239 18.314 1.00 0.00 N ATOM 1313 CA HIS A 81 0.909 26.132 17.722 1.00 0.00 C ATOM 1314 C HIS A 81 2.147 26.227 18.614 1.00 0.00 C ATOM 1315 O HIS A 81 2.219 25.588 19.663 1.00 0.00 O ATOM 1316 CB HIS A 81 0.307 27.528 17.530 1.00 0.00 C ATOM 1317 CG HIS A 81 -0.771 27.479 16.480 1.00 0.00 C ATOM 1318 ND1 HIS A 81 -1.392 26.295 16.108 1.00 0.00 N ATOM 1319 CD2 HIS A 81 -1.349 28.460 15.712 1.00 0.00 C ATOM 1320 CE1 HIS A 81 -2.296 26.592 15.157 1.00 0.00 C ATOM 1321 NE2 HIS A 81 -2.311 27.899 14.879 1.00 0.00 N ATOM 0 H HIS A 81 -0.866 25.715 18.767 1.00 0.00 H new ATOM 0 HA HIS A 81 1.204 25.726 16.755 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.106 27.888 18.472 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.085 28.232 17.233 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.095 29.509 15.749 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.932 25.863 14.677 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.901 28.382 14.201 1.00 0.00 H new ATOM 1330 N HIS A 82 3.117 27.033 18.186 1.00 0.00 N ATOM 1331 CA HIS A 82 4.348 27.211 18.949 1.00 0.00 C ATOM 1332 C HIS A 82 4.075 27.985 20.237 1.00 0.00 C ATOM 1333 O HIS A 82 3.391 28.993 20.166 1.00 0.00 O ATOM 1334 CB HIS A 82 5.384 27.964 18.108 1.00 0.00 C ATOM 1335 CG HIS A 82 5.539 27.284 16.775 1.00 0.00 C ATOM 1336 ND1 HIS A 82 4.648 27.493 15.733 1.00 0.00 N ATOM 1337 CD2 HIS A 82 6.468 26.392 16.302 1.00 0.00 C ATOM 1338 CE1 HIS A 82 5.057 26.741 14.695 1.00 0.00 C ATOM 1339 NE2 HIS A 82 6.162 26.050 14.989 1.00 0.00 N ATOM 1340 OXT HIS A 82 4.553 27.557 21.275 1.00 0.00 O ATOM 0 H HIS A 82 3.074 27.570 17.320 1.00 0.00 H new ATOM 0 HA HIS A 82 4.737 26.226 19.206 1.00 0.00 H new ATOM 0 HB2 HIS A 82 5.070 28.998 17.966 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.341 27.990 18.629 1.00 0.00 H new ATOM 0 HD2 HIS A 82 7.309 26.013 16.864 1.00 0.00 H new ATOM 0 HE1 HIS A 82 4.553 26.701 13.740 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.672 25.409 14.381 1.00 0.00 H new TER 1349 HIS A 82