USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 95 MET CE :methyl -141:sc= -1.82 (180deg=-2.79!) USER MOD Set 1.2: B 291 GLN : amide:sc= -0.0414 K(o=-1.9,f=-2.4) USER MOD Set 2.1: A 69 GLN : amide:sc= -0.121 X(o=0.94,f=0.74) USER MOD Set 2.2: A 107 TYR OH : rot -141:sc= 1.06 USER MOD Set 3.1: A 59 LYS NZ :NH3+ -175:sc= 1.93 (180deg=0.851) USER MOD Set 3.2: A 65 TYR OH : rot 74:sc= 0.186 USER MOD Set 4.1: A 22 HIS : no HD1:sc= -1.26 K(o=-1.2,f=-3.6!) USER MOD Set 4.2: A 25 TYR OH : rot -22:sc= 0.0558 USER MOD Set 5.1: A 15 LYS NZ :NH3+ 175:sc= 1.02 (180deg=0) USER MOD Set 5.2: A 19 SER OG : rot 65:sc= 2.06 USER MOD Set 6.1: A 10 CYS SG : rot -21:sc= -2.83! USER MOD Set 6.2: A 60 MET CE :methyl -155:sc= -2.64 (180deg=-0.777) USER MOD Set 7.1: A 4 SER OG : rot 180:sc= -0.156 USER MOD Set 7.2: A 6 GLN : amide:sc= 0.334 K(o=0.18,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.125 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc=-0.00555 (180deg=-0.109) USER MOD Single : A 9 HIS : no HD1:sc= -0.445 X(o=-0.45,f=-0.45) USER MOD Single : A 11 ASN : amide:sc= 0.236 X(o=0.24,f=-0.037) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0532 (180deg=-0.304) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc=-0.00411 (180deg=-0.103) USER MOD Single : A 30 TYR OH : rot -133:sc= 0.151 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= -0.0223 (180deg=-0.206) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.17) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 148:sc= -0.0898 (180deg=-0.588) USER MOD Single : A 54 SER OG : rot 110:sc= 1.29 USER MOD Single : A 55 THR OG1 : rot 131:sc= 1.06 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0314 F(o=-1.9!,f=-0.031) USER MOD Single : A 78 MET CE :methyl -129:sc= -0.414 (180deg=-3.46!) USER MOD Single : A 80 SER OG : rot 76:sc= 1.24 USER MOD Single : A 81 ASN :FLIP amide:sc= -2.44! C(o=-3.2!,f=-2.4!) USER MOD Single : A 82 CYS SG : rot 53:sc= 0.157 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.347 USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0.0417 (180deg=0.0409) USER MOD Single : A 85 TYR OH : rot -111:sc= 0.0225 USER MOD Single : A 86 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.4) USER MOD Single : A 90 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-4.4!) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -0.0319 (180deg=-0.213) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 155:sc= -2.12! (180deg=-3.57!) USER MOD Single : A 110 MET CE :methyl 154:sc= -1.01 (180deg=-2.58!) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 282 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2.2!) USER MOD Single : B 288 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.298 8.649 -2.412 1.00 0.00 N ATOM 2 CA GLY A 1 24.203 8.927 -3.369 1.00 0.00 C ATOM 3 C GLY A 1 23.785 7.685 -4.120 1.00 0.00 C ATOM 4 O GLY A 1 24.262 6.587 -3.820 1.00 0.00 O ATOM 0 H1 GLY A 1 24.996 8.914 -1.453 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.530 7.635 -2.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.138 9.202 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.346 9.333 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.525 9.689 -4.078 1.00 0.00 H new ATOM 10 N LYS A 2 22.900 7.860 -5.100 1.00 0.00 N ATOM 11 CA LYS A 2 22.394 6.754 -5.911 1.00 0.00 C ATOM 12 C LYS A 2 21.793 5.656 -5.038 1.00 0.00 C ATOM 13 O LYS A 2 22.123 4.482 -5.201 1.00 0.00 O ATOM 14 CB LYS A 2 23.502 6.183 -6.800 1.00 0.00 C ATOM 15 CG LYS A 2 23.971 7.137 -7.887 1.00 0.00 C ATOM 16 CD LYS A 2 22.869 7.406 -8.898 1.00 0.00 C ATOM 17 CE LYS A 2 23.345 8.307 -10.024 1.00 0.00 C ATOM 18 NZ LYS A 2 22.298 8.480 -11.065 1.00 0.00 N ATOM 0 H LYS A 2 22.515 8.770 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 2 21.603 7.147 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 2 24.353 5.913 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.144 5.265 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.291 8.076 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.838 6.715 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.517 6.461 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.020 7.870 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.621 9.281 -9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 2 24.242 7.883 -10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.657 9.101 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.052 7.553 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.451 8.907 -10.638 1.00 0.00 H new ATOM 32 N LEU A 3 20.906 6.057 -4.124 1.00 0.00 N ATOM 33 CA LEU A 3 20.240 5.132 -3.203 1.00 0.00 C ATOM 34 C LEU A 3 21.227 4.525 -2.207 1.00 0.00 C ATOM 35 O LEU A 3 22.119 3.757 -2.576 1.00 0.00 O ATOM 36 CB LEU A 3 19.519 4.006 -3.963 1.00 0.00 C ATOM 37 CG LEU A 3 18.289 4.418 -4.775 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.854 3.276 -5.681 1.00 0.00 C ATOM 39 CD2 LEU A 3 17.145 4.815 -3.852 1.00 0.00 C ATOM 0 H LEU A 3 20.629 7.031 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 3 19.501 5.715 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.234 3.537 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.215 3.247 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 3 18.554 5.279 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.978 3.580 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.665 3.024 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.607 2.405 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.280 5.105 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.881 3.970 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.454 5.655 -3.230 1.00 0.00 H new ATOM 51 N SER A 4 21.066 4.870 -0.940 1.00 0.00 N ATOM 52 CA SER A 4 21.850 4.245 0.117 1.00 0.00 C ATOM 53 C SER A 4 21.362 2.810 0.313 1.00 0.00 C ATOM 54 O SER A 4 20.346 2.426 -0.264 1.00 0.00 O ATOM 55 CB SER A 4 21.755 5.041 1.431 1.00 0.00 C ATOM 56 OG SER A 4 22.477 4.407 2.475 1.00 0.00 O ATOM 0 H SER A 4 20.404 5.575 -0.618 1.00 0.00 H new ATOM 0 HA SER A 4 22.900 4.237 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.144 6.048 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.709 5.144 1.721 1.00 0.00 H new ATOM 0 HG SER A 4 22.399 4.937 3.296 1.00 0.00 H new ATOM 62 N GLU A 5 22.071 2.026 1.117 1.00 0.00 N ATOM 63 CA GLU A 5 21.739 0.613 1.303 1.00 0.00 C ATOM 64 C GLU A 5 20.282 0.441 1.718 1.00 0.00 C ATOM 65 O GLU A 5 19.560 -0.385 1.159 1.00 0.00 O ATOM 66 CB GLU A 5 22.659 -0.014 2.348 1.00 0.00 C ATOM 67 CG GLU A 5 24.124 0.028 1.960 1.00 0.00 C ATOM 68 CD GLU A 5 25.010 -0.650 2.978 1.00 0.00 C ATOM 69 OE1 GLU A 5 25.222 -1.872 2.865 1.00 0.00 O ATOM 70 OE2 GLU A 5 25.497 0.038 3.900 1.00 0.00 O ATOM 0 H GLU A 5 22.880 2.342 1.652 1.00 0.00 H new ATOM 0 HA GLU A 5 21.884 0.105 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.527 0.506 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.362 -1.051 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.254 -0.454 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.437 1.066 1.844 1.00 0.00 H new ATOM 77 N GLN A 6 19.858 1.245 2.684 1.00 0.00 N ATOM 78 CA GLN A 6 18.481 1.239 3.161 1.00 0.00 C ATOM 79 C GLN A 6 17.513 1.482 2.004 1.00 0.00 C ATOM 80 O GLN A 6 16.527 0.765 1.844 1.00 0.00 O ATOM 81 CB GLN A 6 18.276 2.319 4.239 1.00 0.00 C ATOM 82 CG GLN A 6 18.892 2.002 5.602 1.00 0.00 C ATOM 83 CD GLN A 6 20.366 1.626 5.539 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.142 2.234 4.798 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.752 0.565 6.245 1.00 0.00 N ATOM 0 H GLN A 6 20.458 1.919 3.159 1.00 0.00 H new ATOM 0 HA GLN A 6 18.279 0.260 3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.698 3.256 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.206 2.481 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.775 2.868 6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.337 1.183 6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.085 0.084 6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.714 0.233 6.182 1.00 0.00 H new ATOM 94 N LEU A 7 17.818 2.477 1.181 1.00 0.00 N ATOM 95 CA LEU A 7 16.934 2.852 0.085 1.00 0.00 C ATOM 96 C LEU A 7 17.038 1.867 -1.081 1.00 0.00 C ATOM 97 O LEU A 7 16.100 1.707 -1.860 1.00 0.00 O ATOM 98 CB LEU A 7 17.233 4.272 -0.384 1.00 0.00 C ATOM 99 CG LEU A 7 16.911 5.364 0.633 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.323 6.723 0.098 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.430 5.357 0.989 1.00 0.00 C ATOM 0 H LEU A 7 18.668 3.037 1.251 1.00 0.00 H new ATOM 0 HA LEU A 7 15.911 2.817 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.289 4.338 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.667 4.465 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 7 17.478 5.161 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.087 7.491 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.395 6.727 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.783 6.929 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.227 6.144 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.839 5.531 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.163 4.391 1.417 1.00 0.00 H new ATOM 113 N LYS A 8 18.172 1.203 -1.210 1.00 0.00 N ATOM 114 CA LYS A 8 18.304 0.150 -2.198 1.00 0.00 C ATOM 115 C LYS A 8 17.481 -1.050 -1.764 1.00 0.00 C ATOM 116 O LYS A 8 16.839 -1.713 -2.580 1.00 0.00 O ATOM 117 CB LYS A 8 19.773 -0.238 -2.389 1.00 0.00 C ATOM 118 CG LYS A 8 19.986 -1.370 -3.385 1.00 0.00 C ATOM 119 CD LYS A 8 19.363 -1.064 -4.741 1.00 0.00 C ATOM 120 CE LYS A 8 20.041 0.103 -5.439 1.00 0.00 C ATOM 121 NZ LYS A 8 21.443 -0.211 -5.817 1.00 0.00 N ATOM 0 H LYS A 8 19.007 1.372 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 8 17.933 0.511 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.330 0.637 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.190 -0.531 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.054 -1.547 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.555 -2.289 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.425 -1.949 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.304 -0.840 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.476 0.369 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.029 0.974 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.807 0.531 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.032 -0.256 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.473 -1.128 -6.307 1.00 0.00 H new ATOM 135 N HIS A 9 17.476 -1.302 -0.467 1.00 0.00 N ATOM 136 CA HIS A 9 16.702 -2.394 0.083 1.00 0.00 C ATOM 137 C HIS A 9 15.211 -2.080 -0.018 1.00 0.00 C ATOM 138 O HIS A 9 14.400 -2.973 -0.255 1.00 0.00 O ATOM 139 CB HIS A 9 17.102 -2.655 1.537 1.00 0.00 C ATOM 140 CG HIS A 9 17.005 -4.095 1.933 1.00 0.00 C ATOM 141 ND1 HIS A 9 18.090 -4.826 2.366 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.946 -4.937 1.975 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.702 -6.053 2.659 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.406 -6.146 2.432 1.00 0.00 N ATOM 0 H HIS A 9 18.000 -0.764 0.223 1.00 0.00 H new ATOM 0 HA HIS A 9 16.908 -3.296 -0.493 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.125 -2.312 1.691 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.465 -2.062 2.193 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.929 -4.701 1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.338 -6.846 3.023 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.838 -6.981 2.573 1.00 0.00 H new ATOM 153 N CYS A 10 14.850 -0.803 0.141 1.00 0.00 N ATOM 154 CA CYS A 10 13.452 -0.398 0.018 1.00 0.00 C ATOM 155 C CYS A 10 12.999 -0.513 -1.433 1.00 0.00 C ATOM 156 O CYS A 10 11.830 -0.779 -1.712 1.00 0.00 O ATOM 157 CB CYS A 10 13.214 1.027 0.552 1.00 0.00 C ATOM 158 SG CYS A 10 13.765 2.373 -0.515 1.00 0.00 S ATOM 0 H CYS A 10 15.498 -0.044 0.352 1.00 0.00 H new ATOM 0 HA CYS A 10 12.856 -1.073 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.147 1.151 0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.718 1.122 1.514 1.00 0.00 H new ATOM 0 HG CYS A 10 14.655 1.927 -1.351 1.00 0.00 H new ATOM 164 N ASN A 11 13.944 -0.339 -2.353 1.00 0.00 N ATOM 165 CA ASN A 11 13.661 -0.457 -3.777 1.00 0.00 C ATOM 166 C ASN A 11 13.295 -1.894 -4.131 1.00 0.00 C ATOM 167 O ASN A 11 12.366 -2.140 -4.901 1.00 0.00 O ATOM 168 CB ASN A 11 14.881 -0.014 -4.590 1.00 0.00 C ATOM 169 CG ASN A 11 14.641 -0.060 -6.087 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.871 -1.083 -6.734 1.00 0.00 O ATOM 171 ND2 ASN A 11 14.186 1.050 -6.649 1.00 0.00 N ATOM 0 H ASN A 11 14.915 -0.115 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 11 12.816 0.187 -4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.154 1.001 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.728 -0.654 -4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.013 1.079 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.008 1.876 -6.077 1.00 0.00 H new ATOM 178 N GLY A 12 14.014 -2.838 -3.534 1.00 0.00 N ATOM 179 CA GLY A 12 13.799 -4.243 -3.833 1.00 0.00 C ATOM 180 C GLY A 12 12.512 -4.772 -3.232 1.00 0.00 C ATOM 181 O GLY A 12 11.799 -5.562 -3.856 1.00 0.00 O ATOM 0 H GLY A 12 14.744 -2.655 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.776 -4.382 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.639 -4.825 -3.455 1.00 0.00 H new ATOM 185 N ILE A 13 12.216 -4.332 -2.017 1.00 0.00 N ATOM 186 CA ILE A 13 10.995 -4.734 -1.331 1.00 0.00 C ATOM 187 C ILE A 13 9.763 -4.271 -2.110 1.00 0.00 C ATOM 188 O ILE A 13 8.854 -5.061 -2.380 1.00 0.00 O ATOM 189 CB ILE A 13 10.951 -4.156 0.098 1.00 0.00 C ATOM 190 CG1 ILE A 13 12.130 -4.687 0.924 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.634 -4.509 0.779 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.240 -4.071 2.299 1.00 0.00 C ATOM 0 H ILE A 13 12.807 -3.694 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 13 10.991 -5.822 -1.270 1.00 0.00 H new ATOM 0 HB ILE A 13 11.028 -3.071 0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 13 12.031 -5.768 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.056 -4.502 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.622 -4.092 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.805 -4.095 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.532 -5.593 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.097 -4.497 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.371 -2.993 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.331 -4.278 2.864 1.00 0.00 H new ATOM 204 N LEU A 14 9.752 -2.990 -2.477 1.00 0.00 N ATOM 205 CA LEU A 14 8.677 -2.415 -3.274 1.00 0.00 C ATOM 206 C LEU A 14 8.504 -3.195 -4.572 1.00 0.00 C ATOM 207 O LEU A 14 7.390 -3.540 -4.965 1.00 0.00 O ATOM 208 CB LEU A 14 9.005 -0.958 -3.596 1.00 0.00 C ATOM 209 CG LEU A 14 7.816 -0.015 -3.621 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.308 1.413 -3.612 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.947 -0.252 -4.842 1.00 0.00 C ATOM 0 H LEU A 14 10.486 -2.327 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 14 7.749 -2.467 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.722 -0.593 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.498 -0.920 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 14 7.209 -0.205 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.455 2.092 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.894 1.590 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.930 1.589 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.105 0.440 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.536 -0.090 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.575 -1.277 -4.831 1.00 0.00 H new ATOM 223 N LYS A 15 9.629 -3.472 -5.216 1.00 0.00 N ATOM 224 CA LYS A 15 9.663 -4.213 -6.461 1.00 0.00 C ATOM 225 C LYS A 15 8.944 -5.551 -6.334 1.00 0.00 C ATOM 226 O LYS A 15 8.245 -5.978 -7.254 1.00 0.00 O ATOM 227 CB LYS A 15 11.125 -4.396 -6.881 1.00 0.00 C ATOM 228 CG LYS A 15 11.458 -5.784 -7.371 1.00 0.00 C ATOM 229 CD LYS A 15 11.024 -6.020 -8.804 1.00 0.00 C ATOM 230 CE LYS A 15 11.494 -7.378 -9.282 1.00 0.00 C ATOM 231 NZ LYS A 15 10.576 -7.962 -10.290 1.00 0.00 N ATOM 0 H LYS A 15 10.549 -3.185 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 15 9.134 -3.653 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.358 -3.679 -7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.768 -4.158 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.533 -5.945 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.977 -6.518 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.938 -5.958 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.432 -5.240 -9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.492 -7.286 -9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.574 -8.054 -8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.978 -8.850 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.653 -8.153 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.452 -7.292 -11.076 1.00 0.00 H new ATOM 245 N GLU A 16 9.079 -6.190 -5.186 1.00 0.00 N ATOM 246 CA GLU A 16 8.533 -7.534 -5.021 1.00 0.00 C ATOM 247 C GLU A 16 7.018 -7.486 -4.871 1.00 0.00 C ATOM 248 O GLU A 16 6.304 -8.308 -5.446 1.00 0.00 O ATOM 249 CB GLU A 16 9.153 -8.272 -3.816 1.00 0.00 C ATOM 250 CG GLU A 16 8.653 -9.712 -3.649 1.00 0.00 C ATOM 251 CD GLU A 16 8.943 -10.307 -2.294 1.00 0.00 C ATOM 252 OE1 GLU A 16 10.079 -10.177 -1.812 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.042 -10.962 -1.733 1.00 0.00 O ATOM 0 H GLU A 16 9.552 -5.813 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 16 8.790 -8.091 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.237 -8.284 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.933 -7.713 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.577 -9.735 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.112 -10.337 -4.415 1.00 0.00 H new ATOM 260 N LEU A 17 6.534 -6.518 -4.108 1.00 0.00 N ATOM 261 CA LEU A 17 5.095 -6.330 -3.931 1.00 0.00 C ATOM 262 C LEU A 17 4.456 -5.946 -5.268 1.00 0.00 C ATOM 263 O LEU A 17 3.265 -6.149 -5.481 1.00 0.00 O ATOM 264 CB LEU A 17 4.825 -5.244 -2.879 1.00 0.00 C ATOM 265 CG LEU A 17 5.431 -5.492 -1.494 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.514 -4.186 -0.727 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.601 -6.497 -0.703 1.00 0.00 C ATOM 0 H LEU A 17 7.113 -5.849 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 17 4.655 -7.264 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.207 -4.296 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.746 -5.132 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 17 6.431 -5.903 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.946 -4.369 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.142 -3.482 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.514 -3.767 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.055 -6.653 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.589 -6.113 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.565 -7.444 -1.242 1.00 0.00 H new ATOM 279 N LEU A 18 5.276 -5.409 -6.169 1.00 0.00 N ATOM 280 CA LEU A 18 4.817 -5.002 -7.495 1.00 0.00 C ATOM 281 C LEU A 18 4.971 -6.123 -8.519 1.00 0.00 C ATOM 282 O LEU A 18 4.400 -6.062 -9.612 1.00 0.00 O ATOM 283 CB LEU A 18 5.603 -3.789 -7.972 1.00 0.00 C ATOM 284 CG LEU A 18 5.326 -2.498 -7.219 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.219 -1.401 -7.754 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.865 -2.099 -7.331 1.00 0.00 C ATOM 0 H LEU A 18 6.269 -5.245 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 18 3.759 -4.756 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.667 -4.013 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.386 -3.628 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 18 5.543 -2.657 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.021 -0.475 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.263 -1.683 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.018 -1.253 -8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.698 -1.172 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.608 -1.951 -8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.239 -2.887 -6.911 1.00 0.00 H new ATOM 298 N SER A 19 5.760 -7.124 -8.179 1.00 0.00 N ATOM 299 CA SER A 19 5.989 -8.253 -9.069 1.00 0.00 C ATOM 300 C SER A 19 4.737 -9.123 -9.174 1.00 0.00 C ATOM 301 O SER A 19 3.977 -9.271 -8.210 1.00 0.00 O ATOM 302 CB SER A 19 7.179 -9.077 -8.576 1.00 0.00 C ATOM 303 OG SER A 19 8.360 -8.291 -8.550 1.00 0.00 O ATOM 0 H SER A 19 6.256 -7.181 -7.290 1.00 0.00 H new ATOM 0 HA SER A 19 6.217 -7.870 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.971 -9.463 -7.578 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.325 -9.939 -9.227 1.00 0.00 H new ATOM 0 HG SER A 19 8.264 -7.578 -7.885 1.00 0.00 H new ATOM 309 N LYS A 20 4.547 -9.707 -10.357 1.00 0.00 N ATOM 310 CA LYS A 20 3.337 -10.458 -10.689 1.00 0.00 C ATOM 311 C LYS A 20 3.108 -11.642 -9.753 1.00 0.00 C ATOM 312 O LYS A 20 2.017 -12.215 -9.728 1.00 0.00 O ATOM 313 CB LYS A 20 3.391 -10.938 -12.137 1.00 0.00 C ATOM 314 CG LYS A 20 3.167 -9.821 -13.141 1.00 0.00 C ATOM 315 CD LYS A 20 1.714 -9.370 -13.160 1.00 0.00 C ATOM 316 CE LYS A 20 1.455 -8.329 -14.239 1.00 0.00 C ATOM 317 NZ LYS A 20 1.749 -8.852 -15.600 1.00 0.00 N ATOM 0 H LYS A 20 5.230 -9.672 -11.114 1.00 0.00 H new ATOM 0 HA LYS A 20 2.495 -9.777 -10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.361 -11.399 -12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.636 -11.710 -12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.808 -8.975 -12.894 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.456 -10.161 -14.135 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.069 -10.233 -13.326 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.450 -8.957 -12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.414 -8.008 -14.191 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.069 -7.449 -14.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.314 -8.231 -16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.778 -8.879 -15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.360 -9.812 -15.694 1.00 0.00 H new ATOM 331 N LYS A 21 4.139 -12.008 -9.002 1.00 0.00 N ATOM 332 CA LYS A 21 4.026 -13.037 -7.980 1.00 0.00 C ATOM 333 C LYS A 21 2.972 -12.658 -6.939 1.00 0.00 C ATOM 334 O LYS A 21 2.218 -13.508 -6.468 1.00 0.00 O ATOM 335 CB LYS A 21 5.380 -13.253 -7.295 1.00 0.00 C ATOM 336 CG LYS A 21 5.308 -14.141 -6.064 1.00 0.00 C ATOM 337 CD LYS A 21 6.659 -14.300 -5.402 1.00 0.00 C ATOM 338 CE LYS A 21 6.619 -15.423 -4.386 1.00 0.00 C ATOM 339 NZ LYS A 21 6.617 -16.766 -5.031 1.00 0.00 N ATOM 0 H LYS A 21 5.071 -11.602 -9.084 1.00 0.00 H new ATOM 0 HA LYS A 21 3.717 -13.964 -8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.073 -13.695 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.791 -12.285 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.602 -13.716 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.924 -15.122 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.418 -14.509 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.944 -13.368 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.480 -15.342 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.729 -15.318 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.810 -17.495 -4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.687 -16.942 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.352 -16.799 -5.766 1.00 0.00 H new ATOM 353 N HIS A 22 2.914 -11.377 -6.595 1.00 0.00 N ATOM 354 CA HIS A 22 1.999 -10.916 -5.558 1.00 0.00 C ATOM 355 C HIS A 22 0.833 -10.159 -6.169 1.00 0.00 C ATOM 356 O HIS A 22 -0.183 -9.965 -5.514 1.00 0.00 O ATOM 357 CB HIS A 22 2.720 -10.018 -4.538 1.00 0.00 C ATOM 358 CG HIS A 22 3.824 -10.715 -3.794 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.616 -11.482 -2.663 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.152 -10.749 -4.028 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.771 -11.955 -2.234 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.728 -11.523 -3.041 1.00 0.00 N ATOM 0 H HIS A 22 3.485 -10.644 -7.015 1.00 0.00 H new ATOM 0 HA HIS A 22 1.621 -11.797 -5.040 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.133 -9.153 -5.057 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.992 -9.641 -3.820 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.670 -10.260 -4.840 1.00 0.00 H new ATOM 0 HE1 HIS A 22 4.912 -12.588 -1.370 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.723 -11.728 -2.949 1.00 0.00 H new ATOM 371 N ALA A 23 0.986 -9.767 -7.433 1.00 0.00 N ATOM 372 CA ALA A 23 -0.004 -8.950 -8.145 1.00 0.00 C ATOM 373 C ALA A 23 -1.430 -9.466 -7.988 1.00 0.00 C ATOM 374 O ALA A 23 -2.376 -8.680 -7.945 1.00 0.00 O ATOM 375 CB ALA A 23 0.364 -8.880 -9.613 1.00 0.00 C ATOM 0 H ALA A 23 1.802 -10.006 -7.997 1.00 0.00 H new ATOM 0 HA ALA A 23 0.017 -7.956 -7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.370 -8.274 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.351 -8.430 -9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.376 -9.886 -10.033 1.00 0.00 H new ATOM 381 N ALA A 24 -1.571 -10.781 -7.887 1.00 0.00 N ATOM 382 CA ALA A 24 -2.875 -11.419 -7.727 1.00 0.00 C ATOM 383 C ALA A 24 -3.629 -10.867 -6.512 1.00 0.00 C ATOM 384 O ALA A 24 -4.859 -10.838 -6.490 1.00 0.00 O ATOM 385 CB ALA A 24 -2.686 -12.922 -7.600 1.00 0.00 C ATOM 0 H ALA A 24 -0.789 -11.435 -7.913 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.478 -11.199 -8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.657 -13.402 -7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.200 -13.305 -8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.065 -13.138 -6.731 1.00 0.00 H new ATOM 391 N TYR A 25 -2.887 -10.422 -5.509 1.00 0.00 N ATOM 392 CA TYR A 25 -3.479 -9.853 -4.305 1.00 0.00 C ATOM 393 C TYR A 25 -2.749 -8.573 -3.896 1.00 0.00 C ATOM 394 O TYR A 25 -2.848 -8.123 -2.757 1.00 0.00 O ATOM 395 CB TYR A 25 -3.472 -10.891 -3.169 1.00 0.00 C ATOM 396 CG TYR A 25 -2.197 -11.697 -3.061 1.00 0.00 C ATOM 397 CD1 TYR A 25 -1.042 -11.153 -2.520 1.00 0.00 C ATOM 398 CD2 TYR A 25 -2.157 -13.016 -3.496 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.118 -11.897 -2.421 1.00 0.00 C ATOM 400 CE2 TYR A 25 -1.002 -13.767 -3.400 1.00 0.00 C ATOM 401 CZ TYR A 25 0.133 -13.201 -2.863 1.00 0.00 C ATOM 402 OH TYR A 25 1.288 -13.944 -2.767 1.00 0.00 O ATOM 0 H TYR A 25 -1.867 -10.444 -5.505 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.515 -9.587 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.642 -10.376 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.308 -11.575 -3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.049 -10.131 -2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.046 -13.462 -3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.010 -11.457 -1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.989 -14.791 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 25 2.060 -13.343 -2.713 1.00 0.00 H new ATOM 412 N ALA A 26 -2.025 -7.987 -4.847 1.00 0.00 N ATOM 413 CA ALA A 26 -1.292 -6.748 -4.605 1.00 0.00 C ATOM 414 C ALA A 26 -1.854 -5.602 -5.443 1.00 0.00 C ATOM 415 O ALA A 26 -1.569 -4.427 -5.181 1.00 0.00 O ATOM 416 CB ALA A 26 0.192 -6.930 -4.906 1.00 0.00 C ATOM 0 H ALA A 26 -1.931 -8.352 -5.795 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.411 -6.497 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.719 -5.994 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.600 -7.711 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.319 -7.215 -5.950 1.00 0.00 H new ATOM 422 N TRP A 27 -2.667 -5.940 -6.446 1.00 0.00 N ATOM 423 CA TRP A 27 -3.218 -4.933 -7.354 1.00 0.00 C ATOM 424 C TRP A 27 -3.968 -3.788 -6.634 1.00 0.00 C ATOM 425 O TRP A 27 -3.904 -2.653 -7.109 1.00 0.00 O ATOM 426 CB TRP A 27 -4.108 -5.564 -8.448 1.00 0.00 C ATOM 427 CG TRP A 27 -5.253 -6.408 -7.953 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.249 -7.761 -7.772 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.577 -5.963 -7.604 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.475 -8.185 -7.324 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.307 -7.103 -7.211 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.214 -4.717 -7.574 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.636 -7.033 -6.802 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.532 -4.651 -7.167 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.231 -5.802 -6.786 1.00 0.00 C ATOM 0 H TRP A 27 -2.957 -6.897 -6.649 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.350 -4.481 -7.833 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.512 -4.764 -9.068 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.479 -6.179 -9.092 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.402 -8.406 -7.955 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.726 -9.150 -7.110 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.684 -3.822 -7.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.178 -7.920 -6.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -9.032 -3.694 -7.142 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.261 -5.716 -6.473 1.00 0.00 H new ATOM 446 N PRO A 28 -4.689 -4.026 -5.497 1.00 0.00 N ATOM 447 CA PRO A 28 -5.356 -2.940 -4.763 1.00 0.00 C ATOM 448 C PRO A 28 -4.412 -1.798 -4.388 1.00 0.00 C ATOM 449 O PRO A 28 -4.849 -0.664 -4.199 1.00 0.00 O ATOM 450 CB PRO A 28 -5.879 -3.592 -3.472 1.00 0.00 C ATOM 451 CG PRO A 28 -5.396 -5.006 -3.475 1.00 0.00 C ATOM 452 CD PRO A 28 -4.962 -5.339 -4.878 1.00 0.00 C ATOM 0 HA PRO A 28 -6.134 -2.498 -5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.512 -3.060 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.968 -3.556 -3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.566 -5.128 -2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.187 -5.681 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.075 -5.972 -4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.740 -5.879 -5.417 1.00 0.00 H new ATOM 460 N PHE A 29 -3.121 -2.099 -4.288 1.00 0.00 N ATOM 461 CA PHE A 29 -2.159 -1.129 -3.768 1.00 0.00 C ATOM 462 C PHE A 29 -1.215 -0.624 -4.850 1.00 0.00 C ATOM 463 O PHE A 29 -0.416 0.283 -4.602 1.00 0.00 O ATOM 464 CB PHE A 29 -1.337 -1.742 -2.637 1.00 0.00 C ATOM 465 CG PHE A 29 -2.094 -2.746 -1.819 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.775 -4.091 -1.897 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.129 -2.353 -0.986 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.472 -5.024 -1.164 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.829 -3.286 -0.247 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.499 -4.622 -0.337 1.00 0.00 C ATOM 0 H PHE A 29 -2.718 -2.997 -4.557 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.736 -0.284 -3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.454 -2.222 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.984 -0.945 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.969 -4.412 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.391 -1.308 -0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.215 -6.070 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.634 -2.970 0.400 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.045 -5.353 0.240 1.00 0.00 H new ATOM 480 N TYR A 30 -1.279 -1.231 -6.032 1.00 0.00 N ATOM 481 CA TYR A 30 -0.476 -0.775 -7.165 1.00 0.00 C ATOM 482 C TYR A 30 -0.709 0.708 -7.433 1.00 0.00 C ATOM 483 O TYR A 30 0.224 1.504 -7.407 1.00 0.00 O ATOM 484 CB TYR A 30 -0.792 -1.591 -8.425 1.00 0.00 C ATOM 485 CG TYR A 30 -0.062 -2.915 -8.494 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.357 -3.548 -7.338 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.217 -3.526 -9.711 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.031 -4.745 -7.383 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.890 -4.730 -9.764 1.00 0.00 C ATOM 490 CZ TYR A 30 1.293 -5.334 -8.593 1.00 0.00 C ATOM 491 OH TYR A 30 1.966 -6.527 -8.634 1.00 0.00 O ATOM 0 H TYR A 30 -1.874 -2.035 -6.231 1.00 0.00 H new ATOM 0 HA TYR A 30 0.573 -0.924 -6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.865 -1.776 -8.467 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.536 -0.999 -9.304 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.150 -3.093 -6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.098 -3.052 -10.629 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.353 -5.220 -6.468 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.099 -5.195 -10.716 1.00 0.00 H new ATOM 0 HH TYR A 30 2.674 -6.480 -9.310 1.00 0.00 H new ATOM 501 N LYS A 31 -1.961 1.072 -7.666 1.00 0.00 N ATOM 502 CA LYS A 31 -2.316 2.446 -7.992 1.00 0.00 C ATOM 503 C LYS A 31 -3.503 2.906 -7.154 1.00 0.00 C ATOM 504 O LYS A 31 -4.204 2.076 -6.575 1.00 0.00 O ATOM 505 CB LYS A 31 -2.641 2.562 -9.485 1.00 0.00 C ATOM 506 CG LYS A 31 -1.408 2.639 -10.370 1.00 0.00 C ATOM 507 CD LYS A 31 -1.786 2.775 -11.835 1.00 0.00 C ATOM 508 CE LYS A 31 -0.555 2.916 -12.717 1.00 0.00 C ATOM 509 NZ LYS A 31 0.362 1.754 -12.591 1.00 0.00 N ATOM 0 H LYS A 31 -2.753 0.430 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.466 3.090 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.241 1.703 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.251 3.450 -9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.795 3.489 -10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.801 1.744 -10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.360 1.902 -12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.431 3.644 -11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.865 3.021 -13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.021 3.828 -12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.085 1.800 -13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.824 1.776 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.180 0.872 -12.688 1.00 0.00 H new ATOM 523 N PRO A 32 -3.734 4.230 -7.061 1.00 0.00 N ATOM 524 CA PRO A 32 -4.877 4.793 -6.333 1.00 0.00 C ATOM 525 C PRO A 32 -6.202 4.201 -6.799 1.00 0.00 C ATOM 526 O PRO A 32 -6.376 3.885 -7.980 1.00 0.00 O ATOM 527 CB PRO A 32 -4.826 6.294 -6.664 1.00 0.00 C ATOM 528 CG PRO A 32 -3.876 6.415 -7.808 1.00 0.00 C ATOM 529 CD PRO A 32 -2.900 5.291 -7.645 1.00 0.00 C ATOM 0 HA PRO A 32 -4.817 4.579 -5.266 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.813 6.671 -6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.485 6.874 -5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.400 6.343 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.368 7.379 -7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.466 4.988 -8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.072 5.564 -6.990 1.00 0.00 H new ATOM 537 N VAL A 33 -7.129 4.047 -5.865 1.00 0.00 N ATOM 538 CA VAL A 33 -8.429 3.478 -6.175 1.00 0.00 C ATOM 539 C VAL A 33 -9.217 4.440 -7.059 1.00 0.00 C ATOM 540 O VAL A 33 -9.056 5.659 -6.966 1.00 0.00 O ATOM 541 CB VAL A 33 -9.228 3.143 -4.885 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.287 2.763 -3.758 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.153 4.275 -4.456 1.00 0.00 C ATOM 0 H VAL A 33 -7.004 4.308 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.272 2.543 -6.713 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.864 2.289 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.865 2.532 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.705 1.889 -4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.614 3.595 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.686 3.986 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.565 5.171 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.871 4.479 -5.250 1.00 0.00 H new ATOM 553 N ASP A 34 -10.050 3.892 -7.926 1.00 0.00 N ATOM 554 CA ASP A 34 -10.841 4.710 -8.839 1.00 0.00 C ATOM 555 C ASP A 34 -12.124 5.126 -8.145 1.00 0.00 C ATOM 556 O ASP A 34 -13.210 4.714 -8.537 1.00 0.00 O ATOM 557 CB ASP A 34 -11.165 3.949 -10.133 1.00 0.00 C ATOM 558 CG ASP A 34 -9.923 3.496 -10.874 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.413 4.261 -11.720 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.450 2.367 -10.622 1.00 0.00 O ATOM 0 H ASP A 34 -10.199 2.887 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.261 5.592 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.778 3.080 -9.894 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.759 4.588 -10.786 1.00 0.00 H new ATOM 565 N ALA A 35 -11.980 5.947 -7.112 1.00 0.00 N ATOM 566 CA ALA A 35 -13.080 6.278 -6.212 1.00 0.00 C ATOM 567 C ALA A 35 -14.286 6.858 -6.949 1.00 0.00 C ATOM 568 O ALA A 35 -15.428 6.633 -6.551 1.00 0.00 O ATOM 569 CB ALA A 35 -12.600 7.231 -5.129 1.00 0.00 C ATOM 0 H ALA A 35 -11.099 6.402 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.414 5.349 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.428 7.472 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.800 6.760 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.227 8.146 -5.589 1.00 0.00 H new ATOM 575 N SER A 36 -14.037 7.582 -8.030 1.00 0.00 N ATOM 576 CA SER A 36 -15.116 8.159 -8.819 1.00 0.00 C ATOM 577 C SER A 36 -15.928 7.061 -9.508 1.00 0.00 C ATOM 578 O SER A 36 -17.158 7.119 -9.555 1.00 0.00 O ATOM 579 CB SER A 36 -14.547 9.130 -9.852 1.00 0.00 C ATOM 580 OG SER A 36 -13.710 10.092 -9.230 1.00 0.00 O ATOM 0 H SER A 36 -13.101 7.784 -8.380 1.00 0.00 H new ATOM 0 HA SER A 36 -15.782 8.706 -8.151 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.980 8.579 -10.603 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.362 9.633 -10.373 1.00 0.00 H new ATOM 0 HG SER A 36 -13.354 10.703 -9.908 1.00 0.00 H new ATOM 586 N ALA A 37 -15.233 6.048 -10.008 1.00 0.00 N ATOM 587 CA ALA A 37 -15.877 4.930 -10.687 1.00 0.00 C ATOM 588 C ALA A 37 -16.386 3.903 -9.679 1.00 0.00 C ATOM 589 O ALA A 37 -17.311 3.138 -9.958 1.00 0.00 O ATOM 590 CB ALA A 37 -14.901 4.284 -11.656 1.00 0.00 C ATOM 0 H ALA A 37 -14.217 5.977 -9.956 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.734 5.308 -11.245 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.388 3.449 -12.160 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.582 5.019 -12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.032 3.920 -11.108 1.00 0.00 H new ATOM 596 N LEU A 38 -15.774 3.904 -8.504 1.00 0.00 N ATOM 597 CA LEU A 38 -16.125 2.977 -7.434 1.00 0.00 C ATOM 598 C LEU A 38 -17.342 3.465 -6.653 1.00 0.00 C ATOM 599 O LEU A 38 -17.824 2.779 -5.756 1.00 0.00 O ATOM 600 CB LEU A 38 -14.928 2.799 -6.495 1.00 0.00 C ATOM 601 CG LEU A 38 -13.761 1.997 -7.075 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.486 2.245 -6.281 1.00 0.00 C ATOM 603 CD2 LEU A 38 -14.089 0.513 -7.088 1.00 0.00 C ATOM 0 H LEU A 38 -15.020 4.547 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.382 2.017 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.563 3.785 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.270 2.306 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.599 2.330 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.670 1.664 -6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.235 3.305 -6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.638 1.943 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.248 -0.042 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.280 0.174 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.975 0.341 -7.700 1.00 0.00 H new ATOM 615 N GLY A 39 -17.824 4.658 -6.989 1.00 0.00 N ATOM 616 CA GLY A 39 -18.985 5.214 -6.312 1.00 0.00 C ATOM 617 C GLY A 39 -18.628 5.825 -4.974 1.00 0.00 C ATOM 618 O GLY A 39 -19.491 6.309 -4.239 1.00 0.00 O ATOM 0 H GLY A 39 -17.431 5.252 -7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.444 5.973 -6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.728 4.430 -6.165 1.00 0.00 H new ATOM 622 N LEU A 40 -17.345 5.812 -4.667 1.00 0.00 N ATOM 623 CA LEU A 40 -16.849 6.315 -3.405 1.00 0.00 C ATOM 624 C LEU A 40 -16.651 7.826 -3.467 1.00 0.00 C ATOM 625 O LEU A 40 -15.544 8.315 -3.705 1.00 0.00 O ATOM 626 CB LEU A 40 -15.535 5.621 -3.067 1.00 0.00 C ATOM 627 CG LEU A 40 -15.514 4.113 -3.318 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.223 3.511 -2.794 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.728 3.441 -2.696 1.00 0.00 C ATOM 0 H LEU A 40 -16.619 5.452 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.581 6.104 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.738 6.082 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.306 5.802 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.559 3.940 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.221 2.437 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.375 3.969 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.145 3.695 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.689 2.369 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.730 3.616 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.637 3.855 -3.132 1.00 0.00 H new ATOM 641 N HIS A 41 -17.732 8.562 -3.243 1.00 0.00 N ATOM 642 CA HIS A 41 -17.702 10.022 -3.322 1.00 0.00 C ATOM 643 C HIS A 41 -16.977 10.615 -2.123 1.00 0.00 C ATOM 644 O HIS A 41 -16.616 11.789 -2.122 1.00 0.00 O ATOM 645 CB HIS A 41 -19.123 10.603 -3.363 1.00 0.00 C ATOM 646 CG HIS A 41 -20.017 10.013 -4.422 1.00 0.00 C ATOM 647 ND1 HIS A 41 -20.912 8.986 -4.376 1.00 0.00 N flip ATOM 648 CD2 HIS A 41 -20.070 10.500 -5.709 1.00 0.00 C flip ATOM 649 CE1 HIS A 41 -21.474 8.887 -5.621 1.00 0.00 C flip ATOM 650 NE2 HIS A 41 -20.952 9.806 -6.405 1.00 0.00 N flip ATOM 0 H HIS A 41 -18.644 8.173 -3.004 1.00 0.00 H new ATOM 0 HA HIS A 41 -17.174 10.281 -4.240 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.590 10.454 -2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -19.056 11.679 -3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -19.482 11.322 -6.090 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -22.226 8.169 -5.913 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.189 9.957 -7.386 1.00 0.00 H new ATOM 659 N ASP A 42 -16.762 9.794 -1.107 1.00 0.00 N ATOM 660 CA ASP A 42 -16.231 10.273 0.161 1.00 0.00 C ATOM 661 C ASP A 42 -14.843 9.705 0.440 1.00 0.00 C ATOM 662 O ASP A 42 -14.414 9.634 1.589 1.00 0.00 O ATOM 663 CB ASP A 42 -17.182 9.896 1.298 1.00 0.00 C ATOM 664 CG ASP A 42 -18.535 10.572 1.192 1.00 0.00 C ATOM 665 OD1 ASP A 42 -18.651 11.752 1.582 1.00 0.00 O ATOM 666 OD2 ASP A 42 -19.499 9.919 0.731 1.00 0.00 O ATOM 0 H ASP A 42 -16.947 8.791 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.143 11.358 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.322 8.815 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.723 10.162 2.250 1.00 0.00 H new ATOM 671 N TYR A 43 -14.129 9.319 -0.611 1.00 0.00 N ATOM 672 CA TYR A 43 -12.828 8.677 -0.447 1.00 0.00 C ATOM 673 C TYR A 43 -11.792 9.647 0.111 1.00 0.00 C ATOM 674 O TYR A 43 -11.042 9.308 1.027 1.00 0.00 O ATOM 675 CB TYR A 43 -12.348 8.088 -1.781 1.00 0.00 C ATOM 676 CG TYR A 43 -10.990 7.426 -1.724 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.864 6.120 -1.285 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.839 8.095 -2.125 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.637 5.493 -1.242 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.603 7.476 -2.084 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.509 6.173 -1.642 1.00 0.00 C ATOM 682 OH TYR A 43 -7.284 5.547 -1.602 1.00 0.00 O ATOM 0 H TYR A 43 -14.425 9.438 -1.580 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.946 7.867 0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -13.080 7.357 -2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.319 8.884 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.745 5.581 -0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.911 9.114 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.561 4.473 -0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.717 8.009 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.591 6.164 -1.918 1.00 0.00 H new ATOM 692 N HIS A 44 -11.766 10.861 -0.420 1.00 0.00 N ATOM 693 CA HIS A 44 -10.775 11.847 0.000 1.00 0.00 C ATOM 694 C HIS A 44 -11.121 12.415 1.367 1.00 0.00 C ATOM 695 O HIS A 44 -10.279 13.013 2.033 1.00 0.00 O ATOM 696 CB HIS A 44 -10.646 12.972 -1.029 1.00 0.00 C ATOM 697 CG HIS A 44 -9.907 12.564 -2.265 1.00 0.00 C ATOM 698 ND1 HIS A 44 -8.536 12.640 -2.374 1.00 0.00 N ATOM 699 CD2 HIS A 44 -10.348 12.065 -3.444 1.00 0.00 C ATOM 700 CE1 HIS A 44 -8.166 12.208 -3.563 1.00 0.00 C ATOM 701 NE2 HIS A 44 -9.244 11.851 -4.231 1.00 0.00 N ATOM 0 H HIS A 44 -12.414 11.187 -1.137 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.813 11.340 0.071 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.642 13.316 -1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.133 13.817 -0.570 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.376 11.872 -3.714 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.151 12.156 -3.928 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.256 11.476 -5.180 1.00 0.00 H new ATOM 710 N ASP A 45 -12.363 12.213 1.783 1.00 0.00 N ATOM 711 CA ASP A 45 -12.809 12.661 3.094 1.00 0.00 C ATOM 712 C ASP A 45 -12.263 11.745 4.176 1.00 0.00 C ATOM 713 O ASP A 45 -11.770 12.204 5.203 1.00 0.00 O ATOM 714 CB ASP A 45 -14.338 12.694 3.167 1.00 0.00 C ATOM 715 CG ASP A 45 -14.946 13.735 2.252 1.00 0.00 C ATOM 716 OD1 ASP A 45 -15.108 13.456 1.043 1.00 0.00 O ATOM 717 OD2 ASP A 45 -15.262 14.844 2.732 1.00 0.00 O ATOM 0 H ASP A 45 -13.080 11.742 1.231 1.00 0.00 H new ATOM 0 HA ASP A 45 -12.431 13.671 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.731 11.712 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.644 12.896 4.194 1.00 0.00 H new ATOM 722 N ILE A 46 -12.342 10.444 3.934 1.00 0.00 N ATOM 723 CA ILE A 46 -11.891 9.460 4.909 1.00 0.00 C ATOM 724 C ILE A 46 -10.373 9.303 4.881 1.00 0.00 C ATOM 725 O ILE A 46 -9.720 9.302 5.927 1.00 0.00 O ATOM 726 CB ILE A 46 -12.573 8.081 4.694 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.995 8.068 5.260 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.773 6.947 5.319 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.976 8.939 4.512 1.00 0.00 C ATOM 0 H ILE A 46 -12.714 10.045 3.072 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.183 9.834 5.890 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.615 7.924 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.364 7.042 5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.961 8.392 6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.286 6.001 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.781 6.910 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.678 7.117 6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.957 8.869 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.635 9.974 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -15.045 8.604 3.477 1.00 0.00 H new ATOM 741 N ILE A 47 -9.811 9.187 3.687 1.00 0.00 N ATOM 742 CA ILE A 47 -8.386 8.934 3.545 1.00 0.00 C ATOM 743 C ILE A 47 -7.585 10.233 3.588 1.00 0.00 C ATOM 744 O ILE A 47 -7.504 10.958 2.593 1.00 0.00 O ATOM 745 CB ILE A 47 -8.070 8.198 2.230 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.919 6.932 2.089 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.588 7.853 2.175 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.466 5.795 2.966 1.00 0.00 C ATOM 0 H ILE A 47 -10.318 9.264 2.805 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.097 8.303 4.386 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.315 8.858 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.955 7.172 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.899 6.606 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.370 7.332 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.999 8.769 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.332 7.210 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.116 4.934 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.441 5.526 2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.513 6.101 4.011 1.00 0.00 H new ATOM 760 N LYS A 48 -7.010 10.532 4.748 1.00 0.00 N ATOM 761 CA LYS A 48 -6.123 11.673 4.891 1.00 0.00 C ATOM 762 C LYS A 48 -4.811 11.463 4.141 1.00 0.00 C ATOM 763 O LYS A 48 -4.260 12.400 3.567 1.00 0.00 O ATOM 764 CB LYS A 48 -5.826 11.941 6.359 1.00 0.00 C ATOM 765 CG LYS A 48 -6.843 12.853 7.013 1.00 0.00 C ATOM 766 CD LYS A 48 -8.237 12.270 6.980 1.00 0.00 C ATOM 767 CE LYS A 48 -9.257 13.317 7.355 1.00 0.00 C ATOM 768 NZ LYS A 48 -10.617 12.749 7.534 1.00 0.00 N ATOM 0 H LYS A 48 -7.145 9.995 5.605 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.635 12.533 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.797 10.993 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.836 12.388 6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.552 13.036 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.842 13.818 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.453 11.884 5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.302 11.428 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.947 13.807 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.286 14.084 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.258 13.487 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.968 12.395 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.579 11.966 8.218 1.00 0.00 H new ATOM 782 N HIS A 49 -4.312 10.232 4.147 1.00 0.00 N ATOM 783 CA HIS A 49 -3.016 9.928 3.542 1.00 0.00 C ATOM 784 C HIS A 49 -3.146 8.885 2.423 1.00 0.00 C ATOM 785 O HIS A 49 -2.752 7.731 2.604 1.00 0.00 O ATOM 786 CB HIS A 49 -2.042 9.410 4.608 1.00 0.00 C ATOM 787 CG HIS A 49 -1.815 10.361 5.744 1.00 0.00 C ATOM 788 ND1 HIS A 49 -0.939 11.421 5.678 1.00 0.00 N ATOM 789 CD2 HIS A 49 -2.352 10.401 6.988 1.00 0.00 C ATOM 790 CE1 HIS A 49 -0.947 12.071 6.826 1.00 0.00 C ATOM 791 NE2 HIS A 49 -1.795 11.475 7.639 1.00 0.00 N ATOM 0 H HIS A 49 -4.783 9.428 4.563 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.632 10.852 3.109 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.423 8.470 5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.085 9.191 4.135 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.082 9.716 7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.357 12.945 7.060 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.004 11.763 8.595 1.00 0.00 H new ATOM 800 N PRO A 50 -3.713 9.259 1.257 1.00 0.00 N ATOM 801 CA PRO A 50 -3.806 8.348 0.110 1.00 0.00 C ATOM 802 C PRO A 50 -2.440 8.064 -0.509 1.00 0.00 C ATOM 803 O PRO A 50 -1.840 8.928 -1.153 1.00 0.00 O ATOM 804 CB PRO A 50 -4.701 9.095 -0.880 1.00 0.00 C ATOM 805 CG PRO A 50 -4.534 10.531 -0.530 1.00 0.00 C ATOM 806 CD PRO A 50 -4.327 10.570 0.963 1.00 0.00 C ATOM 0 HA PRO A 50 -4.200 7.373 0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.401 8.901 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.741 8.783 -0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.682 10.964 -1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.413 11.108 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.676 11.394 1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.269 10.701 1.496 1.00 0.00 H new ATOM 814 N MET A 51 -1.942 6.859 -0.293 1.00 0.00 N ATOM 815 CA MET A 51 -0.656 6.462 -0.840 1.00 0.00 C ATOM 816 C MET A 51 -0.752 5.090 -1.493 1.00 0.00 C ATOM 817 O MET A 51 -1.559 4.255 -1.087 1.00 0.00 O ATOM 818 CB MET A 51 0.421 6.470 0.258 1.00 0.00 C ATOM 819 CG MET A 51 1.784 5.962 -0.205 1.00 0.00 C ATOM 820 SD MET A 51 2.371 6.827 -1.678 1.00 0.00 S ATOM 821 CE MET A 51 2.312 8.523 -1.117 1.00 0.00 C ATOM 0 H MET A 51 -2.409 6.138 0.257 1.00 0.00 H new ATOM 0 HA MET A 51 -0.369 7.183 -1.606 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.533 7.486 0.636 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.080 5.856 1.092 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.509 6.086 0.600 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.720 4.894 -0.414 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.106 9.093 -1.599 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.346 8.958 -1.374 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.448 8.554 -0.036 1.00 0.00 H new ATOM 831 N ASP A 52 0.063 4.886 -2.515 1.00 0.00 N ATOM 832 CA ASP A 52 0.117 3.625 -3.241 1.00 0.00 C ATOM 833 C ASP A 52 1.566 3.279 -3.551 1.00 0.00 C ATOM 834 O ASP A 52 2.435 4.146 -3.471 1.00 0.00 O ATOM 835 CB ASP A 52 -0.693 3.702 -4.540 1.00 0.00 C ATOM 836 CG ASP A 52 -0.198 4.798 -5.457 1.00 0.00 C ATOM 837 OD1 ASP A 52 0.699 4.539 -6.281 1.00 0.00 O ATOM 838 OD2 ASP A 52 -0.700 5.938 -5.349 1.00 0.00 O ATOM 0 H ASP A 52 0.709 5.593 -2.867 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.320 2.846 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.638 2.745 -5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.742 3.876 -4.302 1.00 0.00 H new ATOM 843 N LEU A 53 1.831 2.037 -3.919 1.00 0.00 N ATOM 844 CA LEU A 53 3.204 1.589 -4.143 1.00 0.00 C ATOM 845 C LEU A 53 3.872 2.331 -5.297 1.00 0.00 C ATOM 846 O LEU A 53 5.073 2.615 -5.249 1.00 0.00 O ATOM 847 CB LEU A 53 3.235 0.081 -4.376 1.00 0.00 C ATOM 848 CG LEU A 53 3.094 -0.751 -3.105 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.791 -2.187 -3.455 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.353 -0.673 -2.265 1.00 0.00 C ATOM 0 H LEU A 53 1.121 1.321 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 53 3.776 1.821 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.432 -0.186 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.173 -0.180 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 53 2.268 -0.345 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.692 -2.771 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.859 -2.235 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.602 -2.593 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.227 -1.274 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.198 -1.052 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.540 0.364 -1.986 1.00 0.00 H new ATOM 862 N SER A 54 3.097 2.670 -6.316 1.00 0.00 N ATOM 863 CA SER A 54 3.630 3.386 -7.466 1.00 0.00 C ATOM 864 C SER A 54 4.110 4.783 -7.066 1.00 0.00 C ATOM 865 O SER A 54 5.120 5.270 -7.577 1.00 0.00 O ATOM 866 CB SER A 54 2.578 3.480 -8.569 1.00 0.00 C ATOM 867 OG SER A 54 2.141 2.191 -8.958 1.00 0.00 O ATOM 0 H SER A 54 2.100 2.462 -6.371 1.00 0.00 H new ATOM 0 HA SER A 54 4.486 2.829 -7.846 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.729 4.066 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.993 4.003 -9.430 1.00 0.00 H new ATOM 0 HG SER A 54 1.219 2.053 -8.656 1.00 0.00 H new ATOM 873 N THR A 55 3.392 5.420 -6.146 1.00 0.00 N ATOM 874 CA THR A 55 3.777 6.734 -5.654 1.00 0.00 C ATOM 875 C THR A 55 4.946 6.633 -4.676 1.00 0.00 C ATOM 876 O THR A 55 5.814 7.506 -4.650 1.00 0.00 O ATOM 877 CB THR A 55 2.602 7.466 -4.986 1.00 0.00 C ATOM 878 OG1 THR A 55 1.451 7.423 -5.841 1.00 0.00 O ATOM 879 CG2 THR A 55 2.968 8.912 -4.733 1.00 0.00 C ATOM 0 H THR A 55 2.541 5.046 -5.727 1.00 0.00 H new ATOM 0 HA THR A 55 4.088 7.315 -6.522 1.00 0.00 H new ATOM 0 HB THR A 55 2.378 6.973 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.671 7.131 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.129 9.422 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.838 8.958 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.201 9.399 -5.680 1.00 0.00 H new ATOM 887 N VAL A 56 4.981 5.561 -3.890 1.00 0.00 N ATOM 888 CA VAL A 56 6.108 5.320 -2.995 1.00 0.00 C ATOM 889 C VAL A 56 7.382 5.191 -3.815 1.00 0.00 C ATOM 890 O VAL A 56 8.402 5.814 -3.520 1.00 0.00 O ATOM 891 CB VAL A 56 5.916 4.040 -2.153 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.151 3.759 -1.306 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.688 4.158 -1.267 1.00 0.00 C ATOM 0 H VAL A 56 4.249 4.851 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 56 6.174 6.165 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 56 5.770 3.206 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.993 2.853 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.015 3.625 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.330 4.598 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.572 3.245 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.805 5.007 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.804 4.306 -1.888 1.00 0.00 H new ATOM 903 N LYS A 57 7.292 4.400 -4.872 1.00 0.00 N ATOM 904 CA LYS A 57 8.410 4.194 -5.774 1.00 0.00 C ATOM 905 C LYS A 57 8.756 5.499 -6.469 1.00 0.00 C ATOM 906 O LYS A 57 9.922 5.843 -6.614 1.00 0.00 O ATOM 907 CB LYS A 57 8.052 3.134 -6.810 1.00 0.00 C ATOM 908 CG LYS A 57 9.140 2.099 -7.034 1.00 0.00 C ATOM 909 CD LYS A 57 8.733 1.100 -8.100 1.00 0.00 C ATOM 910 CE LYS A 57 9.706 -0.064 -8.175 1.00 0.00 C ATOM 911 NZ LYS A 57 10.996 0.324 -8.803 1.00 0.00 N ATOM 0 H LYS A 57 6.448 3.887 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 57 9.273 3.854 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.140 2.626 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.832 3.626 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.063 2.596 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.346 1.575 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.732 0.725 -7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.686 1.599 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.892 -0.445 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.255 -0.876 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.629 -0.501 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.823 0.663 -9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.440 1.081 -8.245 1.00 0.00 H new ATOM 925 N ARG A 58 7.721 6.219 -6.874 1.00 0.00 N ATOM 926 CA ARG A 58 7.862 7.524 -7.511 1.00 0.00 C ATOM 927 C ARG A 58 8.720 8.460 -6.664 1.00 0.00 C ATOM 928 O ARG A 58 9.708 9.025 -7.135 1.00 0.00 O ATOM 929 CB ARG A 58 6.476 8.130 -7.696 1.00 0.00 C ATOM 930 CG ARG A 58 6.469 9.505 -8.337 1.00 0.00 C ATOM 931 CD ARG A 58 5.068 10.082 -8.372 1.00 0.00 C ATOM 932 NE ARG A 58 5.047 11.448 -8.888 1.00 0.00 N ATOM 933 CZ ARG A 58 3.941 12.174 -9.032 1.00 0.00 C ATOM 934 NH1 ARG A 58 2.757 11.659 -8.720 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.017 13.418 -9.490 1.00 0.00 N ATOM 0 H ARG A 58 6.753 5.915 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 58 8.354 7.395 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.877 7.455 -8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.989 8.195 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.127 10.173 -7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.864 9.439 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.432 9.451 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.646 10.068 -7.367 1.00 0.00 H new ATOM 0 HE ARG A 58 5.935 11.872 -9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.693 10.704 -8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.912 12.219 -8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.924 13.818 -9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.169 13.974 -9.600 1.00 0.00 H new ATOM 949 N LYS A 59 8.337 8.605 -5.407 1.00 0.00 N ATOM 950 CA LYS A 59 9.027 9.497 -4.491 1.00 0.00 C ATOM 951 C LYS A 59 10.396 8.932 -4.111 1.00 0.00 C ATOM 952 O LYS A 59 11.329 9.684 -3.812 1.00 0.00 O ATOM 953 CB LYS A 59 8.152 9.734 -3.260 1.00 0.00 C ATOM 954 CG LYS A 59 6.860 10.467 -3.589 1.00 0.00 C ATOM 955 CD LYS A 59 5.774 10.257 -2.535 1.00 0.00 C ATOM 956 CE LYS A 59 6.260 10.530 -1.119 1.00 0.00 C ATOM 957 NZ LYS A 59 6.475 9.270 -0.360 1.00 0.00 N ATOM 0 H LYS A 59 7.545 8.112 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 59 9.203 10.455 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.914 8.775 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.714 10.310 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.067 11.533 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.491 10.127 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.930 10.910 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.409 9.232 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.191 11.096 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.531 11.150 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.724 9.496 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.604 8.702 -0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.248 8.729 -0.797 1.00 0.00 H new ATOM 971 N MET A 60 10.514 7.607 -4.134 1.00 0.00 N ATOM 972 CA MET A 60 11.806 6.947 -3.959 1.00 0.00 C ATOM 973 C MET A 60 12.722 7.260 -5.142 1.00 0.00 C ATOM 974 O MET A 60 13.925 7.454 -4.975 1.00 0.00 O ATOM 975 CB MET A 60 11.639 5.426 -3.835 1.00 0.00 C ATOM 976 CG MET A 60 12.954 4.675 -3.686 1.00 0.00 C ATOM 977 SD MET A 60 12.798 2.929 -4.100 1.00 0.00 S ATOM 978 CE MET A 60 11.483 2.460 -2.984 1.00 0.00 C ATOM 0 H MET A 60 9.731 6.968 -4.272 1.00 0.00 H new ATOM 0 HA MET A 60 12.252 7.325 -3.039 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.007 5.208 -2.974 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.116 5.054 -4.716 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.706 5.132 -4.329 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.311 4.772 -2.661 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.548 1.393 -2.773 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.578 3.021 -2.054 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.520 2.680 -3.444 1.00 0.00 H new ATOM 988 N GLU A 61 12.139 7.317 -6.338 1.00 0.00 N ATOM 989 CA GLU A 61 12.894 7.623 -7.551 1.00 0.00 C ATOM 990 C GLU A 61 13.384 9.065 -7.536 1.00 0.00 C ATOM 991 O GLU A 61 14.440 9.379 -8.083 1.00 0.00 O ATOM 992 CB GLU A 61 12.035 7.370 -8.790 1.00 0.00 C ATOM 993 CG GLU A 61 11.757 5.898 -9.044 1.00 0.00 C ATOM 994 CD GLU A 61 10.939 5.649 -10.295 1.00 0.00 C ATOM 995 OE1 GLU A 61 11.329 4.776 -11.099 1.00 0.00 O ATOM 996 OE2 GLU A 61 9.902 6.320 -10.484 1.00 0.00 O ATOM 0 H GLU A 61 11.144 7.155 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 61 13.763 6.966 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.087 7.897 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.535 7.793 -9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.705 5.365 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.231 5.481 -8.185 1.00 0.00 H new ATOM 1003 N ASN A 62 12.614 9.935 -6.893 1.00 0.00 N ATOM 1004 CA ASN A 62 13.010 11.333 -6.722 1.00 0.00 C ATOM 1005 C ASN A 62 13.961 11.449 -5.542 1.00 0.00 C ATOM 1006 O ASN A 62 14.479 12.524 -5.241 1.00 0.00 O ATOM 1007 CB ASN A 62 11.799 12.245 -6.494 1.00 0.00 C ATOM 1008 CG ASN A 62 10.934 12.458 -7.725 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.893 11.484 -8.619 1.00 0.00 O flip ATOM 1010 ND2 ASN A 62 10.300 13.505 -7.867 1.00 0.00 N flip ATOM 0 H ASN A 62 11.711 9.700 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 62 13.503 11.656 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.183 11.820 -5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.151 13.214 -6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.355 14.235 -7.157 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.720 13.642 -8.695 1.00 0.00 H new ATOM 1017 N ARG A 63 14.164 10.315 -4.879 1.00 0.00 N ATOM 1018 CA ARG A 63 15.097 10.189 -3.765 1.00 0.00 C ATOM 1019 C ARG A 63 14.730 11.109 -2.607 1.00 0.00 C ATOM 1020 O ARG A 63 15.599 11.578 -1.874 1.00 0.00 O ATOM 1021 CB ARG A 63 16.518 10.459 -4.258 1.00 0.00 C ATOM 1022 CG ARG A 63 16.892 9.618 -5.464 1.00 0.00 C ATOM 1023 CD ARG A 63 17.018 8.147 -5.104 1.00 0.00 C ATOM 1024 NE ARG A 63 16.721 7.274 -6.238 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.627 6.865 -7.125 1.00 0.00 C ATOM 1026 NH1 ARG A 63 18.876 7.313 -7.062 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.279 6.014 -8.082 1.00 0.00 N ATOM 0 H ARG A 63 13.679 9.446 -5.103 1.00 0.00 H new ATOM 0 HA ARG A 63 15.039 9.170 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.615 11.514 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.222 10.260 -3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.137 9.739 -6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.836 9.974 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.029 7.947 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.340 7.916 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 63 15.759 6.958 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.145 7.973 -6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.566 6.997 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.319 5.674 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.972 5.700 -8.762 1.00 0.00 H new ATOM 1041 N ASP A 64 13.430 11.342 -2.441 1.00 0.00 N ATOM 1042 CA ASP A 64 12.931 12.146 -1.307 1.00 0.00 C ATOM 1043 C ASP A 64 13.243 11.451 0.008 1.00 0.00 C ATOM 1044 O ASP A 64 13.450 12.092 1.040 1.00 0.00 O ATOM 1045 CB ASP A 64 11.407 12.375 -1.378 1.00 0.00 C ATOM 1046 CG ASP A 64 11.031 13.803 -1.047 1.00 0.00 C ATOM 1047 OD1 ASP A 64 10.943 14.135 0.154 1.00 0.00 O ATOM 1048 OD2 ASP A 64 10.814 14.595 -1.984 1.00 0.00 O ATOM 0 H ASP A 64 12.703 10.993 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 64 13.434 13.111 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.050 12.129 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.906 11.699 -0.685 1.00 0.00 H new ATOM 1053 N TYR A 65 13.276 10.130 -0.047 1.00 0.00 N ATOM 1054 CA TYR A 65 13.460 9.308 1.138 1.00 0.00 C ATOM 1055 C TYR A 65 14.907 9.371 1.587 1.00 0.00 C ATOM 1056 O TYR A 65 15.818 9.451 0.761 1.00 0.00 O ATOM 1057 CB TYR A 65 13.091 7.847 0.846 1.00 0.00 C ATOM 1058 CG TYR A 65 11.657 7.610 0.409 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.042 6.388 0.639 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.926 8.589 -0.244 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.743 6.153 0.230 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.634 8.364 -0.649 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.045 7.149 -0.413 1.00 0.00 C ATOM 1064 OH TYR A 65 7.754 6.938 -0.831 1.00 0.00 O ATOM 0 H TYR A 65 13.176 9.598 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 65 12.809 9.690 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.756 7.471 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.282 7.256 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.588 5.607 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.382 9.549 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.279 5.195 0.414 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.082 9.143 -1.153 1.00 0.00 H new ATOM 0 HH TYR A 65 7.155 6.936 -0.055 1.00 0.00 H new ATOM 1074 N ARG A 66 15.118 9.366 2.887 1.00 0.00 N ATOM 1075 CA ARG A 66 16.462 9.318 3.430 1.00 0.00 C ATOM 1076 C ARG A 66 16.809 7.912 3.887 1.00 0.00 C ATOM 1077 O ARG A 66 17.967 7.501 3.822 1.00 0.00 O ATOM 1078 CB ARG A 66 16.609 10.299 4.593 1.00 0.00 C ATOM 1079 CG ARG A 66 16.495 11.764 4.191 1.00 0.00 C ATOM 1080 CD ARG A 66 17.628 12.194 3.264 1.00 0.00 C ATOM 1081 NE ARG A 66 17.454 11.711 1.892 1.00 0.00 N ATOM 1082 CZ ARG A 66 18.400 11.775 0.954 1.00 0.00 C ATOM 1083 NH1 ARG A 66 19.605 12.250 1.249 1.00 0.00 N ATOM 1084 NH2 ARG A 66 18.142 11.358 -0.280 1.00 0.00 N ATOM 0 H ARG A 66 14.377 9.395 3.588 1.00 0.00 H new ATOM 0 HA ARG A 66 17.154 9.607 2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.846 10.078 5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.576 10.139 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.539 11.930 3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.503 12.387 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.691 13.282 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 66 18.574 11.823 3.658 1.00 0.00 H new ATOM 0 HE ARG A 66 16.555 11.301 1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 66 19.810 12.568 2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.325 12.297 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.220 10.988 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.866 11.407 -0.997 1.00 0.00 H new ATOM 1098 N ASP A 67 15.805 7.161 4.321 1.00 0.00 N ATOM 1099 CA ASP A 67 16.040 5.838 4.869 1.00 0.00 C ATOM 1100 C ASP A 67 14.901 4.909 4.494 1.00 0.00 C ATOM 1101 O ASP A 67 13.831 5.359 4.079 1.00 0.00 O ATOM 1102 CB ASP A 67 16.174 5.900 6.397 1.00 0.00 C ATOM 1103 CG ASP A 67 17.446 6.580 6.858 1.00 0.00 C ATOM 1104 OD1 ASP A 67 17.411 7.797 7.127 1.00 0.00 O ATOM 1105 OD2 ASP A 67 18.481 5.889 6.967 1.00 0.00 O ATOM 0 H ASP A 67 14.826 7.446 4.303 1.00 0.00 H new ATOM 0 HA ASP A 67 16.971 5.455 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.316 6.431 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.145 4.887 6.799 1.00 0.00 H new ATOM 1110 N ALA A 68 15.130 3.614 4.659 1.00 0.00 N ATOM 1111 CA ALA A 68 14.122 2.611 4.346 1.00 0.00 C ATOM 1112 C ALA A 68 12.995 2.678 5.355 1.00 0.00 C ATOM 1113 O ALA A 68 11.905 2.167 5.127 1.00 0.00 O ATOM 1114 CB ALA A 68 14.737 1.224 4.344 1.00 0.00 C ATOM 0 H ALA A 68 16.009 3.232 5.009 1.00 0.00 H new ATOM 0 HA ALA A 68 13.723 2.815 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.970 0.486 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.528 1.178 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.156 1.010 5.327 1.00 0.00 H new ATOM 1120 N GLN A 69 13.279 3.321 6.474 1.00 0.00 N ATOM 1121 CA GLN A 69 12.291 3.513 7.510 1.00 0.00 C ATOM 1122 C GLN A 69 11.231 4.489 7.024 1.00 0.00 C ATOM 1123 O GLN A 69 10.045 4.319 7.290 1.00 0.00 O ATOM 1124 CB GLN A 69 12.944 4.047 8.782 1.00 0.00 C ATOM 1125 CG GLN A 69 12.033 3.980 9.987 1.00 0.00 C ATOM 1126 CD GLN A 69 11.800 2.558 10.453 1.00 0.00 C ATOM 1127 OE1 GLN A 69 10.863 1.890 10.014 1.00 0.00 O ATOM 1128 NE2 GLN A 69 12.653 2.085 11.343 1.00 0.00 N ATOM 0 H GLN A 69 14.194 3.720 6.685 1.00 0.00 H new ATOM 0 HA GLN A 69 11.827 2.553 7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.850 3.476 8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.249 5.081 8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.468 4.560 10.801 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.076 4.441 9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.416 2.672 11.681 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.549 1.133 11.693 1.00 0.00 H new ATOM 1137 N GLU A 70 11.675 5.509 6.293 1.00 0.00 N ATOM 1138 CA GLU A 70 10.768 6.473 5.696 1.00 0.00 C ATOM 1139 C GLU A 70 9.950 5.808 4.604 1.00 0.00 C ATOM 1140 O GLU A 70 8.796 6.162 4.366 1.00 0.00 O ATOM 1141 CB GLU A 70 11.530 7.672 5.134 1.00 0.00 C ATOM 1142 CG GLU A 70 12.183 8.522 6.209 1.00 0.00 C ATOM 1143 CD GLU A 70 12.587 9.886 5.700 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.175 9.964 4.601 1.00 0.00 O ATOM 1145 OE2 GLU A 70 12.322 10.887 6.400 1.00 0.00 O ATOM 0 H GLU A 70 12.661 5.685 6.102 1.00 0.00 H new ATOM 0 HA GLU A 70 10.096 6.838 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.296 7.317 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.844 8.292 4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.493 8.639 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.063 8.005 6.592 1.00 0.00 H new ATOM 1152 N PHE A 71 10.561 4.836 3.944 1.00 0.00 N ATOM 1153 CA PHE A 71 9.847 4.004 2.994 1.00 0.00 C ATOM 1154 C PHE A 71 8.781 3.197 3.720 1.00 0.00 C ATOM 1155 O PHE A 71 7.614 3.219 3.338 1.00 0.00 O ATOM 1156 CB PHE A 71 10.809 3.073 2.242 1.00 0.00 C ATOM 1157 CG PHE A 71 10.150 1.821 1.724 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.511 1.817 0.498 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.166 0.652 2.470 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.901 0.670 0.023 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.557 -0.493 2.004 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.923 -0.486 0.777 1.00 0.00 C ATOM 0 H PHE A 71 11.549 4.606 4.050 1.00 0.00 H new ATOM 0 HA PHE A 71 9.368 4.650 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.248 3.616 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.627 2.795 2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.488 2.719 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.662 0.639 3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.408 0.679 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.575 -1.395 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.446 -1.382 0.409 1.00 0.00 H new ATOM 1172 N ALA A 72 9.200 2.492 4.774 1.00 0.00 N ATOM 1173 CA ALA A 72 8.297 1.692 5.582 1.00 0.00 C ATOM 1174 C ALA A 72 7.153 2.545 6.103 1.00 0.00 C ATOM 1175 O ALA A 72 6.006 2.116 6.118 1.00 0.00 O ATOM 1176 CB ALA A 72 9.054 1.043 6.732 1.00 0.00 C ATOM 0 H ALA A 72 10.171 2.464 5.084 1.00 0.00 H new ATOM 0 HA ALA A 72 7.876 0.903 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.365 0.446 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.840 0.401 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.500 1.817 7.357 1.00 0.00 H new ATOM 1182 N ALA A 73 7.485 3.761 6.506 1.00 0.00 N ATOM 1183 CA ALA A 73 6.503 4.728 6.963 1.00 0.00 C ATOM 1184 C ALA A 73 5.434 4.982 5.899 1.00 0.00 C ATOM 1185 O ALA A 73 4.241 5.027 6.202 1.00 0.00 O ATOM 1186 CB ALA A 73 7.213 6.022 7.325 1.00 0.00 C ATOM 0 H ALA A 73 8.445 4.105 6.525 1.00 0.00 H new ATOM 0 HA ALA A 73 5.997 4.328 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.482 6.754 7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.936 5.831 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.730 6.411 6.448 1.00 0.00 H new ATOM 1192 N ASP A 74 5.867 5.112 4.652 1.00 0.00 N ATOM 1193 CA ASP A 74 4.975 5.474 3.553 1.00 0.00 C ATOM 1194 C ASP A 74 4.183 4.258 3.055 1.00 0.00 C ATOM 1195 O ASP A 74 2.968 4.335 2.860 1.00 0.00 O ATOM 1196 CB ASP A 74 5.793 6.087 2.407 1.00 0.00 C ATOM 1197 CG ASP A 74 4.976 7.006 1.519 1.00 0.00 C ATOM 1198 OD1 ASP A 74 4.135 7.763 2.046 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.214 7.018 0.296 1.00 0.00 O ATOM 0 H ASP A 74 6.838 4.971 4.373 1.00 0.00 H new ATOM 0 HA ASP A 74 4.257 6.208 3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.631 6.645 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.215 5.286 1.800 1.00 0.00 H new ATOM 1204 N VAL A 75 4.863 3.127 2.869 1.00 0.00 N ATOM 1205 CA VAL A 75 4.199 1.908 2.395 1.00 0.00 C ATOM 1206 C VAL A 75 3.237 1.366 3.451 1.00 0.00 C ATOM 1207 O VAL A 75 2.145 0.891 3.127 1.00 0.00 O ATOM 1208 CB VAL A 75 5.207 0.804 1.980 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.234 0.553 3.066 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.494 -0.496 1.627 1.00 0.00 C ATOM 0 H VAL A 75 5.864 3.027 3.037 1.00 0.00 H new ATOM 0 HA VAL A 75 3.636 2.188 1.505 1.00 0.00 H new ATOM 0 HB VAL A 75 5.726 1.166 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.924 -0.226 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.789 1.471 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.729 0.234 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.229 -1.248 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.932 -0.849 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.811 -0.322 0.796 1.00 0.00 H new ATOM 1220 N ARG A 76 3.628 1.464 4.715 1.00 0.00 N ATOM 1221 CA ARG A 76 2.762 1.006 5.802 1.00 0.00 C ATOM 1222 C ARG A 76 1.553 1.927 5.909 1.00 0.00 C ATOM 1223 O ARG A 76 0.447 1.482 6.213 1.00 0.00 O ATOM 1224 CB ARG A 76 3.521 0.916 7.142 1.00 0.00 C ATOM 1225 CG ARG A 76 2.713 1.350 8.356 1.00 0.00 C ATOM 1226 CD ARG A 76 3.516 1.225 9.642 1.00 0.00 C ATOM 1227 NE ARG A 76 3.912 -0.156 9.919 1.00 0.00 N ATOM 1228 CZ ARG A 76 4.827 -0.500 10.826 1.00 0.00 C ATOM 1229 NH1 ARG A 76 5.470 0.436 11.516 1.00 0.00 N ATOM 1230 NH2 ARG A 76 5.107 -1.778 11.035 1.00 0.00 N ATOM 0 H ARG A 76 4.524 1.850 5.014 1.00 0.00 H new ATOM 0 HA ARG A 76 2.421 -0.003 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.851 -0.112 7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.418 1.532 7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.390 2.383 8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.812 0.741 8.429 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.407 1.849 9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.925 1.605 10.475 1.00 0.00 H new ATOM 0 HE ARG A 76 3.461 -0.900 9.387 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.264 1.422 11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.169 0.169 12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.622 -2.500 10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.807 -2.040 11.729 1.00 0.00 H new ATOM 1244 N LEU A 77 1.769 3.211 5.624 1.00 0.00 N ATOM 1245 CA LEU A 77 0.690 4.188 5.590 1.00 0.00 C ATOM 1246 C LEU A 77 -0.351 3.798 4.546 1.00 0.00 C ATOM 1247 O LEU A 77 -1.546 4.047 4.719 1.00 0.00 O ATOM 1248 CB LEU A 77 1.246 5.575 5.271 1.00 0.00 C ATOM 1249 CG LEU A 77 0.953 6.656 6.308 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.474 7.993 5.827 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.537 6.725 6.599 1.00 0.00 C ATOM 0 H LEU A 77 2.689 3.597 5.413 1.00 0.00 H new ATOM 0 HA LEU A 77 0.214 4.209 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.326 5.495 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.841 5.897 4.312 1.00 0.00 H new ATOM 0 HG LEU A 77 1.465 6.402 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.260 8.757 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.551 7.929 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.987 8.257 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.727 7.501 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.076 6.960 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.877 5.764 6.984 1.00 0.00 H new ATOM 1263 N MET A 78 0.109 3.183 3.463 1.00 0.00 N ATOM 1264 CA MET A 78 -0.786 2.697 2.426 1.00 0.00 C ATOM 1265 C MET A 78 -1.689 1.589 2.969 1.00 0.00 C ATOM 1266 O MET A 78 -2.914 1.677 2.871 1.00 0.00 O ATOM 1267 CB MET A 78 0.012 2.227 1.205 1.00 0.00 C ATOM 1268 CG MET A 78 -0.818 1.487 0.171 1.00 0.00 C ATOM 1269 SD MET A 78 -0.758 -0.298 0.403 1.00 0.00 S ATOM 1270 CE MET A 78 0.928 -0.649 -0.094 1.00 0.00 C ATOM 0 H MET A 78 1.098 3.010 3.282 1.00 0.00 H new ATOM 0 HA MET A 78 -1.429 3.517 2.106 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.475 3.093 0.732 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.820 1.577 1.540 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.853 1.825 0.229 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.457 1.734 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.931 -1.454 -0.828 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.371 0.244 -0.534 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.509 -0.951 0.778 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.093 0.560 3.561 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.878 -0.509 4.180 1.00 0.00 C ATOM 1282 C PHE A 79 -2.781 0.052 5.287 1.00 0.00 C ATOM 1283 O PHE A 79 -3.899 -0.427 5.502 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.970 -1.607 4.754 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.117 -2.303 3.729 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.697 -2.993 2.677 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.264 -2.277 3.826 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.085 -3.641 1.738 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.052 -2.923 2.892 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.466 -3.606 1.845 1.00 0.00 C ATOM 0 H PHE A 79 -0.082 0.441 3.627 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.502 -0.950 3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.321 -1.167 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.590 -2.349 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.773 -3.025 2.589 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.731 -1.745 4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.380 -4.174 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.128 -2.893 2.981 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.080 -4.110 1.114 1.00 0.00 H new ATOM 1300 N SER A 80 -2.296 1.088 5.967 1.00 0.00 N ATOM 1301 CA SER A 80 -3.039 1.717 7.051 1.00 0.00 C ATOM 1302 C SER A 80 -4.327 2.367 6.551 1.00 0.00 C ATOM 1303 O SER A 80 -5.401 2.113 7.098 1.00 0.00 O ATOM 1304 CB SER A 80 -2.171 2.758 7.754 1.00 0.00 C ATOM 1305 OG SER A 80 -1.006 2.165 8.303 1.00 0.00 O ATOM 0 H SER A 80 -1.386 1.510 5.783 1.00 0.00 H new ATOM 0 HA SER A 80 -3.311 0.934 7.759 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.887 3.537 7.046 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.745 3.240 8.545 1.00 0.00 H new ATOM 0 HG SER A 80 -0.363 1.982 7.586 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.232 3.196 5.506 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.414 3.895 4.997 1.00 0.00 C ATOM 1313 C ASN A 81 -6.429 2.896 4.435 1.00 0.00 C ATOM 1314 O ASN A 81 -7.630 3.160 4.428 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.062 4.978 3.956 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.595 4.439 2.616 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -3.292 4.453 2.394 1.00 0.00 O flip ATOM 1318 ND2 ASN A 81 -5.400 4.066 1.767 1.00 0.00 N flip ATOM 0 H ASN A 81 -3.366 3.396 5.005 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.867 4.415 5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.938 5.606 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.282 5.618 4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.399 4.069 1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.070 3.753 0.854 1.00 0.00 H new ATOM 1325 N CYS A 82 -5.945 1.733 4.009 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.826 0.660 3.549 1.00 0.00 C ATOM 1327 C CYS A 82 -7.738 0.189 4.681 1.00 0.00 C ATOM 1328 O CYS A 82 -8.951 0.052 4.489 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.019 -0.526 3.006 1.00 0.00 C ATOM 1330 SG CYS A 82 -4.916 -0.113 1.636 1.00 0.00 S ATOM 0 H CYS A 82 -4.951 1.508 3.972 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.438 1.061 2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.428 -0.949 3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.711 -1.301 2.678 1.00 0.00 H new ATOM 0 HG CYS A 82 -4.154 0.883 1.978 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.160 -0.051 5.863 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.956 -0.456 7.025 1.00 0.00 C ATOM 1338 C TYR A 83 -8.768 0.718 7.549 1.00 0.00 C ATOM 1339 O TYR A 83 -9.797 0.540 8.199 1.00 0.00 O ATOM 1340 CB TYR A 83 -7.081 -0.974 8.171 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.242 -2.192 7.847 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.782 -3.271 7.156 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.911 -2.276 8.258 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -6.026 -4.394 6.885 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -4.153 -3.395 7.985 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.713 -4.449 7.302 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.955 -5.566 7.040 1.00 0.00 O ATOM 0 H TYR A 83 -6.158 0.027 6.039 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.611 -1.258 6.686 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.417 -0.171 8.490 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.724 -1.212 9.018 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.810 -3.230 6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.468 -1.452 8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.461 -5.225 6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.123 -3.444 8.306 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.053 -5.441 7.401 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.289 1.916 7.264 1.00 0.00 N ATOM 1358 CA LYS A 84 -8.933 3.136 7.722 1.00 0.00 C ATOM 1359 C LYS A 84 -10.239 3.360 6.968 1.00 0.00 C ATOM 1360 O LYS A 84 -11.171 3.972 7.486 1.00 0.00 O ATOM 1361 CB LYS A 84 -7.979 4.317 7.521 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.773 5.176 8.766 1.00 0.00 C ATOM 1363 CD LYS A 84 -9.020 5.956 9.157 1.00 0.00 C ATOM 1364 CE LYS A 84 -9.339 7.046 8.147 1.00 0.00 C ATOM 1365 NZ LYS A 84 -10.444 7.928 8.606 1.00 0.00 N ATOM 0 H LYS A 84 -7.446 2.071 6.711 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.169 3.047 8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.012 3.936 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.363 4.947 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.474 4.537 9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.954 5.873 8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.866 5.274 9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.877 6.402 10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.447 7.646 7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.612 6.589 7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.605 8.677 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.312 7.367 8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.189 8.359 9.518 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.296 2.860 5.742 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.493 2.983 4.925 1.00 0.00 C ATOM 1381 C TYR A 85 -12.364 1.730 5.002 1.00 0.00 C ATOM 1382 O TYR A 85 -13.520 1.790 5.424 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.110 3.248 3.468 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.306 3.489 2.567 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.927 4.726 2.573 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.823 2.499 1.725 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.022 4.984 1.776 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.921 2.754 0.923 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.514 4.000 0.955 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.607 4.263 0.169 1.00 0.00 O ATOM 0 H TYR A 85 -9.526 2.365 5.292 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.070 3.821 5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.451 4.115 3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.543 2.398 3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.546 5.506 3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.359 1.524 1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.491 5.957 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.312 1.983 0.276 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.377 3.753 0.498 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.797 0.599 4.605 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.567 -0.627 4.423 1.00 0.00 C ATOM 1402 C ASN A 86 -12.778 -1.354 5.742 1.00 0.00 C ATOM 1403 O ASN A 86 -11.851 -1.498 6.540 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.858 -1.558 3.433 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.685 -0.936 2.063 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.536 -1.090 1.184 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.577 -0.239 1.870 1.00 0.00 N ATOM 0 H ASN A 86 -10.802 0.504 4.402 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.543 -0.346 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.880 -1.827 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.428 -2.482 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.400 0.197 0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.900 -0.138 2.626 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.015 -1.805 5.993 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.330 -2.636 7.155 1.00 0.00 C ATOM 1416 C PRO A 87 -13.658 -4.008 7.057 1.00 0.00 C ATOM 1417 O PRO A 87 -13.379 -4.494 5.958 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.858 -2.771 7.105 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.239 -2.474 5.696 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.204 -1.522 5.168 1.00 0.00 C ATOM 0 HA PRO A 87 -13.973 -2.200 8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.173 -3.774 7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.336 -2.076 7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.267 -3.387 5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.234 -2.032 5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.007 -1.692 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.525 -0.485 5.270 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.395 -4.640 8.222 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.618 -5.893 8.324 1.00 0.00 C ATOM 1430 C PRO A 88 -13.187 -7.041 7.496 1.00 0.00 C ATOM 1431 O PRO A 88 -12.487 -8.011 7.200 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.686 -6.250 9.813 1.00 0.00 C ATOM 1433 CG PRO A 88 -13.791 -5.423 10.373 1.00 0.00 C ATOM 1434 CD PRO A 88 -13.832 -4.174 9.547 1.00 0.00 C ATOM 0 HA PRO A 88 -11.609 -5.746 7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.882 -7.313 9.953 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.742 -6.032 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.741 -5.955 10.323 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.611 -5.191 11.423 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.833 -3.745 9.514 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.169 -3.406 9.944 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.455 -6.938 7.145 1.00 0.00 N ATOM 1443 CA ASP A 89 -15.100 -7.948 6.307 1.00 0.00 C ATOM 1444 C ASP A 89 -15.128 -7.484 4.852 1.00 0.00 C ATOM 1445 O ASP A 89 -16.194 -7.289 4.262 1.00 0.00 O ATOM 1446 CB ASP A 89 -16.525 -8.271 6.796 1.00 0.00 C ATOM 1447 CG ASP A 89 -16.544 -8.873 8.189 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -16.686 -10.109 8.304 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -16.411 -8.119 9.178 1.00 0.00 O ATOM 0 H ASP A 89 -15.064 -6.168 7.424 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.514 -8.864 6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -17.122 -7.359 6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.996 -8.964 6.099 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.945 -7.305 4.278 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.820 -6.853 2.900 1.00 0.00 C ATOM 1456 C HIS A 90 -12.572 -7.472 2.271 1.00 0.00 C ATOM 1457 O HIS A 90 -11.702 -7.963 2.984 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.728 -5.323 2.845 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.383 -4.720 1.632 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.685 -4.415 0.488 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.672 -4.370 1.379 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.505 -3.908 -0.408 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.717 -3.869 0.104 1.00 0.00 N ATOM 0 H HIS A 90 -13.055 -7.467 4.749 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.702 -7.168 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.190 -4.908 3.741 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.678 -5.030 2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.507 -4.469 2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.229 -3.579 -1.399 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.552 -3.523 -0.370 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.473 -7.444 0.949 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.328 -8.048 0.264 1.00 0.00 C ATOM 1474 C ASP A 91 -10.051 -7.233 0.431 1.00 0.00 C ATOM 1475 O ASP A 91 -8.975 -7.795 0.617 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.615 -8.232 -1.224 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.617 -9.337 -1.485 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -12.220 -10.522 -1.462 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -13.805 -9.026 -1.703 1.00 0.00 O ATOM 0 H ASP A 91 -13.162 -7.015 0.331 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.173 -9.020 0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.993 -7.297 -1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.685 -8.458 -1.746 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.165 -5.909 0.380 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.981 -5.051 0.393 1.00 0.00 C ATOM 1486 C VAL A 92 -8.254 -5.128 1.728 1.00 0.00 C ATOM 1487 O VAL A 92 -7.062 -4.858 1.799 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.295 -3.575 0.068 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.333 -3.049 -0.977 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.726 -3.405 -0.400 1.00 0.00 C ATOM 0 H VAL A 92 -11.053 -5.410 0.330 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.337 -5.435 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.172 -2.998 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.567 -2.007 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.312 -3.120 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.426 -3.641 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.914 -2.354 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.888 -3.999 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.407 -3.739 0.383 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.962 -5.514 2.780 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.329 -5.675 4.080 1.00 0.00 C ATOM 1502 C VAL A 93 -7.645 -7.037 4.159 1.00 0.00 C ATOM 1503 O VAL A 93 -6.584 -7.177 4.764 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.329 -5.509 5.251 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.034 -4.168 5.161 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.347 -6.631 5.279 1.00 0.00 C ATOM 0 H VAL A 93 -9.961 -5.719 2.760 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.587 -4.883 4.181 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.758 -5.551 6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.733 -4.068 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.297 -3.366 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.579 -4.106 4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.031 -6.480 6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.909 -6.636 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.834 -7.585 5.398 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.251 -8.031 3.514 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.680 -9.368 3.444 1.00 0.00 C ATOM 1518 C ALA A 94 -6.414 -9.360 2.601 1.00 0.00 C ATOM 1519 O ALA A 94 -5.397 -9.946 2.977 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.696 -10.356 2.886 1.00 0.00 C ATOM 0 H ALA A 94 -9.143 -7.931 3.030 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.417 -9.686 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.251 -11.350 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.573 -10.380 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.993 -10.046 1.884 1.00 0.00 H new ATOM 1526 N MET A 95 -6.475 -8.663 1.473 1.00 0.00 N ATOM 1527 CA MET A 95 -5.320 -8.525 0.601 1.00 0.00 C ATOM 1528 C MET A 95 -4.246 -7.688 1.290 1.00 0.00 C ATOM 1529 O MET A 95 -3.051 -7.926 1.110 1.00 0.00 O ATOM 1530 CB MET A 95 -5.725 -7.901 -0.744 1.00 0.00 C ATOM 1531 CG MET A 95 -6.648 -8.786 -1.583 1.00 0.00 C ATOM 1532 SD MET A 95 -6.942 -8.131 -3.241 1.00 0.00 S ATOM 1533 CE MET A 95 -8.410 -7.137 -2.982 1.00 0.00 C ATOM 0 H MET A 95 -7.313 -8.185 1.142 1.00 0.00 H new ATOM 0 HA MET A 95 -4.912 -9.515 0.398 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.222 -6.949 -0.557 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.825 -7.684 -1.319 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.212 -9.782 -1.664 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.602 -8.897 -1.068 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.077 -7.243 -3.838 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.922 -7.472 -2.080 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.126 -6.091 -2.871 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.680 -6.736 2.116 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.754 -5.892 2.862 1.00 0.00 C ATOM 1545 C ALA A 96 -3.025 -6.701 3.925 1.00 0.00 C ATOM 1546 O ALA A 96 -1.827 -6.533 4.112 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.479 -4.720 3.501 1.00 0.00 C ATOM 0 H ALA A 96 -5.665 -6.532 2.283 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.020 -5.499 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.765 -4.107 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.952 -4.118 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.241 -5.093 4.186 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.748 -7.581 4.621 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.145 -8.406 5.671 1.00 0.00 C ATOM 1555 C ARG A 97 -2.071 -9.322 5.098 1.00 0.00 C ATOM 1556 O ARG A 97 -0.970 -9.422 5.638 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.195 -9.255 6.397 1.00 0.00 C ATOM 1558 CG ARG A 97 -5.145 -8.452 7.269 1.00 0.00 C ATOM 1559 CD ARG A 97 -5.920 -9.345 8.224 1.00 0.00 C ATOM 1560 NE ARG A 97 -6.890 -8.591 9.012 1.00 0.00 N ATOM 1561 CZ ARG A 97 -8.130 -9.008 9.276 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -8.583 -10.140 8.749 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -8.924 -8.278 10.048 1.00 0.00 N ATOM 0 H ARG A 97 -4.745 -7.740 4.478 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.692 -7.721 6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.776 -9.806 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.685 -9.993 7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.581 -7.713 7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.843 -7.902 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.437 -10.119 7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.224 -9.851 8.893 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.601 -7.687 9.385 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.982 -10.695 8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.531 -10.454 8.954 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.587 -7.399 10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.872 -8.596 10.250 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.400 -9.981 3.998 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.495 -10.939 3.377 1.00 0.00 C ATOM 1579 C LYS A 98 -0.257 -10.236 2.805 1.00 0.00 C ATOM 1580 O LYS A 98 0.876 -10.672 3.019 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.248 -11.707 2.291 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.489 -12.891 1.717 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.288 -13.569 0.617 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.536 -14.741 0.019 1.00 0.00 C ATOM 1585 NZ LYS A 98 -1.186 -15.765 1.038 1.00 0.00 N ATOM 0 H LYS A 98 -3.291 -9.870 3.514 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.143 -11.643 4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.193 -12.062 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.492 -11.020 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.530 -12.556 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.273 -13.608 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.240 -13.915 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.516 -12.846 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.144 -15.200 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.625 -14.380 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.843 -16.624 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.441 -15.394 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.028 -15.994 1.603 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.479 -9.148 2.080 1.00 0.00 N ATOM 1600 CA LEU A 99 0.618 -8.319 1.586 1.00 0.00 C ATOM 1601 C LEU A 99 1.407 -7.678 2.729 1.00 0.00 C ATOM 1602 O LEU A 99 2.601 -7.413 2.594 1.00 0.00 O ATOM 1603 CB LEU A 99 0.108 -7.219 0.653 1.00 0.00 C ATOM 1604 CG LEU A 99 0.169 -7.496 -0.857 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.699 -6.272 -1.562 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.059 -8.678 -1.199 1.00 0.00 C ATOM 0 H LEU A 99 -1.408 -8.817 1.820 1.00 0.00 H new ATOM 0 HA LEU A 99 1.280 -8.984 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.928 -7.006 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.680 -6.313 0.854 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.843 -7.736 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.745 -6.461 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.038 -5.427 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.698 -6.042 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.065 -8.828 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.074 -8.481 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.677 -9.574 -0.710 1.00 0.00 H new ATOM 1618 N GLN A 100 0.743 -7.413 3.846 1.00 0.00 N ATOM 1619 CA GLN A 100 1.425 -6.872 5.014 1.00 0.00 C ATOM 1620 C GLN A 100 2.405 -7.909 5.549 1.00 0.00 C ATOM 1621 O GLN A 100 3.492 -7.569 6.007 1.00 0.00 O ATOM 1622 CB GLN A 100 0.406 -6.476 6.102 1.00 0.00 C ATOM 1623 CG GLN A 100 1.002 -5.871 7.372 1.00 0.00 C ATOM 1624 CD GLN A 100 -0.058 -5.597 8.423 1.00 0.00 C ATOM 1625 OE1 GLN A 100 -0.368 -6.456 9.249 1.00 0.00 O ATOM 1626 NE2 GLN A 100 -0.618 -4.397 8.404 1.00 0.00 N ATOM 0 H GLN A 100 -0.259 -7.562 3.968 1.00 0.00 H new ATOM 0 HA GLN A 100 1.973 -5.975 4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.296 -5.760 5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.168 -7.361 6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.750 -6.550 7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.516 -4.942 7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.334 -3.713 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.334 -4.157 9.090 1.00 0.00 H new ATOM 1635 N ASP A 101 2.015 -9.179 5.461 1.00 0.00 N ATOM 1636 CA ASP A 101 2.872 -10.284 5.879 1.00 0.00 C ATOM 1637 C ASP A 101 4.180 -10.298 5.089 1.00 0.00 C ATOM 1638 O ASP A 101 5.265 -10.304 5.680 1.00 0.00 O ATOM 1639 CB ASP A 101 2.140 -11.620 5.709 1.00 0.00 C ATOM 1640 CG ASP A 101 3.060 -12.817 5.858 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.257 -13.293 6.994 1.00 0.00 O ATOM 1642 OD2 ASP A 101 3.585 -13.296 4.833 1.00 0.00 O ATOM 0 H ASP A 101 1.105 -9.468 5.102 1.00 0.00 H new ATOM 0 HA ASP A 101 3.113 -10.142 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.341 -11.688 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.670 -11.649 4.726 1.00 0.00 H new ATOM 1647 N VAL A 102 4.076 -10.293 3.759 1.00 0.00 N ATOM 1648 CA VAL A 102 5.265 -10.314 2.904 1.00 0.00 C ATOM 1649 C VAL A 102 6.117 -9.064 3.103 1.00 0.00 C ATOM 1650 O VAL A 102 7.313 -9.166 3.370 1.00 0.00 O ATOM 1651 CB VAL A 102 4.919 -10.486 1.401 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.749 -9.629 0.991 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.111 -10.164 0.520 1.00 0.00 C ATOM 0 H VAL A 102 3.190 -10.275 3.254 1.00 0.00 H new ATOM 0 HA VAL A 102 5.841 -11.187 3.211 1.00 0.00 H new ATOM 0 HB VAL A 102 4.646 -11.533 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.541 -9.780 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.872 -9.906 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.987 -8.580 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.836 -10.294 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.420 -9.132 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.935 -10.834 0.764 1.00 0.00 H new ATOM 1663 N PHE A 103 5.498 -7.894 2.986 1.00 0.00 N ATOM 1664 CA PHE A 103 6.202 -6.629 3.184 1.00 0.00 C ATOM 1665 C PHE A 103 6.908 -6.593 4.545 1.00 0.00 C ATOM 1666 O PHE A 103 8.039 -6.110 4.652 1.00 0.00 O ATOM 1667 CB PHE A 103 5.246 -5.435 3.020 1.00 0.00 C ATOM 1668 CG PHE A 103 5.673 -4.211 3.798 1.00 0.00 C ATOM 1669 CD1 PHE A 103 6.877 -3.586 3.506 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.891 -3.697 4.833 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.298 -2.486 4.224 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.310 -2.591 5.549 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.514 -1.987 5.245 1.00 0.00 C ATOM 0 H PHE A 103 4.510 -7.794 2.755 1.00 0.00 H new ATOM 0 HA PHE A 103 6.969 -6.550 2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.176 -5.178 1.963 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.248 -5.731 3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.493 -3.966 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.950 -4.167 5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.241 -2.015 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.696 -2.199 6.346 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.842 -1.124 5.806 1.00 0.00 H new ATOM 1683 N GLU A 104 6.268 -7.139 5.571 1.00 0.00 N ATOM 1684 CA GLU A 104 6.842 -7.138 6.897 1.00 0.00 C ATOM 1685 C GLU A 104 8.049 -8.064 6.945 1.00 0.00 C ATOM 1686 O GLU A 104 9.086 -7.716 7.502 1.00 0.00 O ATOM 1687 CB GLU A 104 5.792 -7.562 7.924 1.00 0.00 C ATOM 1688 CG GLU A 104 6.384 -8.234 9.137 1.00 0.00 C ATOM 1689 CD GLU A 104 5.348 -8.633 10.161 1.00 0.00 C ATOM 1690 OE1 GLU A 104 4.780 -9.737 10.038 1.00 0.00 O ATOM 1691 OE2 GLU A 104 5.110 -7.850 11.107 1.00 0.00 O ATOM 0 H GLU A 104 5.353 -7.586 5.504 1.00 0.00 H new ATOM 0 HA GLU A 104 7.173 -6.129 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.229 -6.684 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.083 -8.241 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.934 -9.121 8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.105 -7.561 9.602 1.00 0.00 H new ATOM 1698 N PHE A 105 7.912 -9.232 6.331 1.00 0.00 N ATOM 1699 CA PHE A 105 8.985 -10.214 6.304 1.00 0.00 C ATOM 1700 C PHE A 105 10.177 -9.666 5.525 1.00 0.00 C ATOM 1701 O PHE A 105 11.331 -9.962 5.838 1.00 0.00 O ATOM 1702 CB PHE A 105 8.491 -11.517 5.673 1.00 0.00 C ATOM 1703 CG PHE A 105 9.346 -12.707 6.001 1.00 0.00 C ATOM 1704 CD1 PHE A 105 9.162 -13.389 7.192 1.00 0.00 C ATOM 1705 CD2 PHE A 105 10.325 -13.147 5.124 1.00 0.00 C ATOM 1706 CE1 PHE A 105 9.939 -14.485 7.504 1.00 0.00 C ATOM 1707 CE2 PHE A 105 11.104 -14.244 5.433 1.00 0.00 C ATOM 1708 CZ PHE A 105 10.911 -14.913 6.625 1.00 0.00 C ATOM 0 H PHE A 105 7.064 -9.522 5.844 1.00 0.00 H new ATOM 0 HA PHE A 105 9.301 -10.420 7.327 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.472 -11.709 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.453 -11.395 4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.402 -13.059 7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.480 -12.627 4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.786 -15.008 8.437 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.864 -14.579 4.743 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.521 -15.771 6.869 1.00 0.00 H new ATOM 1718 N ARG A 106 9.879 -8.849 4.521 1.00 0.00 N ATOM 1719 CA ARG A 106 10.901 -8.201 3.722 1.00 0.00 C ATOM 1720 C ARG A 106 11.712 -7.230 4.571 1.00 0.00 C ATOM 1721 O ARG A 106 12.945 -7.246 4.547 1.00 0.00 O ATOM 1722 CB ARG A 106 10.258 -7.460 2.552 1.00 0.00 C ATOM 1723 CG ARG A 106 9.687 -8.361 1.511 1.00 0.00 C ATOM 1724 CD ARG A 106 10.797 -9.088 0.808 1.00 0.00 C ATOM 1725 NE ARG A 106 12.009 -8.274 0.641 1.00 0.00 N ATOM 1726 CZ ARG A 106 12.648 -8.110 -0.523 1.00 0.00 C ATOM 1727 NH1 ARG A 106 12.169 -8.648 -1.636 1.00 0.00 N ATOM 1728 NH2 ARG A 106 13.769 -7.402 -0.566 1.00 0.00 N ATOM 0 H ARG A 106 8.925 -8.621 4.242 1.00 0.00 H new ATOM 0 HA ARG A 106 11.573 -8.966 3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.467 -6.814 2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.003 -6.813 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.004 -9.076 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.107 -7.781 0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.046 -9.988 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.447 -9.412 -0.172 1.00 0.00 H new ATOM 0 HE ARG A 106 12.387 -7.805 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.307 -9.192 -1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.663 -8.518 -2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.142 -6.984 0.287 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.258 -7.275 -1.452 1.00 0.00 H new ATOM 1742 N TYR A 107 11.020 -6.392 5.334 1.00 0.00 N ATOM 1743 CA TYR A 107 11.698 -5.425 6.187 1.00 0.00 C ATOM 1744 C TYR A 107 12.322 -6.129 7.395 1.00 0.00 C ATOM 1745 O TYR A 107 13.299 -5.655 7.963 1.00 0.00 O ATOM 1746 CB TYR A 107 10.741 -4.315 6.647 1.00 0.00 C ATOM 1747 CG TYR A 107 11.462 -3.080 7.152 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.638 -1.972 6.332 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.982 -3.030 8.438 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.315 -0.851 6.781 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.655 -1.914 8.894 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.821 -0.828 8.063 1.00 0.00 C ATOM 1753 OH TYR A 107 13.506 0.281 8.513 1.00 0.00 O ATOM 0 H TYR A 107 10.001 -6.362 5.380 1.00 0.00 H new ATOM 0 HA TYR A 107 12.490 -4.958 5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.092 -4.036 5.817 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.098 -4.702 7.438 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.240 -1.986 5.328 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.858 -3.879 9.094 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.446 0.001 6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.050 -1.893 9.899 1.00 0.00 H new ATOM 0 HH TYR A 107 14.265 -0.004 9.064 1.00 0.00 H new ATOM 1763 N ALA A 108 11.756 -7.267 7.779 1.00 0.00 N ATOM 1764 CA ALA A 108 12.295 -8.059 8.876 1.00 0.00 C ATOM 1765 C ALA A 108 13.679 -8.599 8.531 1.00 0.00 C ATOM 1766 O ALA A 108 14.543 -8.717 9.398 1.00 0.00 O ATOM 1767 CB ALA A 108 11.350 -9.198 9.222 1.00 0.00 C ATOM 0 H ALA A 108 10.922 -7.662 7.345 1.00 0.00 H new ATOM 0 HA ALA A 108 12.393 -7.411 9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.767 -9.780 10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.384 -8.791 9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.220 -9.841 8.351 1.00 0.00 H new ATOM 1773 N LYS A 109 13.884 -8.924 7.260 1.00 0.00 N ATOM 1774 CA LYS A 109 15.180 -9.401 6.797 1.00 0.00 C ATOM 1775 C LYS A 109 16.109 -8.218 6.536 1.00 0.00 C ATOM 1776 O LYS A 109 17.332 -8.353 6.543 1.00 0.00 O ATOM 1777 CB LYS A 109 15.014 -10.255 5.534 1.00 0.00 C ATOM 1778 CG LYS A 109 16.332 -10.845 5.017 1.00 0.00 C ATOM 1779 CD LYS A 109 16.166 -12.073 4.098 1.00 0.00 C ATOM 1780 CE LYS A 109 15.782 -13.349 4.854 1.00 0.00 C ATOM 1781 NZ LYS A 109 14.427 -13.287 5.468 1.00 0.00 N ATOM 0 H LYS A 109 13.170 -8.866 6.533 1.00 0.00 H new ATOM 0 HA LYS A 109 15.626 -10.025 7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 109 14.319 -11.068 5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 109 14.565 -9.646 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 109 16.874 -10.071 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 109 16.949 -11.126 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.402 -11.858 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 109 17.099 -12.244 3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.824 -14.195 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.519 -13.535 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.054 -14.251 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 14.488 -12.826 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.791 -12.741 4.852 1.00 0.00 H new ATOM 1795 N MET A 110 15.510 -7.057 6.313 1.00 0.00 N ATOM 1796 CA MET A 110 16.262 -5.821 6.139 1.00 0.00 C ATOM 1797 C MET A 110 16.797 -5.330 7.485 1.00 0.00 C ATOM 1798 O MET A 110 16.025 -5.096 8.416 1.00 0.00 O ATOM 1799 CB MET A 110 15.369 -4.754 5.488 1.00 0.00 C ATOM 1800 CG MET A 110 16.010 -3.378 5.379 1.00 0.00 C ATOM 1801 SD MET A 110 15.808 -2.393 6.871 1.00 0.00 S ATOM 1802 CE MET A 110 16.695 -0.919 6.398 1.00 0.00 C ATOM 0 H MET A 110 14.498 -6.944 6.248 1.00 0.00 H new ATOM 0 HA MET A 110 17.112 -6.011 5.484 1.00 0.00 H new ATOM 0 HB2 MET A 110 15.090 -5.091 4.490 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.448 -4.668 6.065 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.073 -3.493 5.167 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.573 -2.844 4.535 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.308 -0.067 6.957 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.755 -1.046 6.618 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.564 -0.743 5.330 1.00 0.00 H new ATOM 1812 N PRO A 111 18.126 -5.206 7.622 1.00 0.00 N ATOM 1813 CA PRO A 111 18.739 -4.707 8.845 1.00 0.00 C ATOM 1814 C PRO A 111 18.895 -3.188 8.868 1.00 0.00 C ATOM 1815 O PRO A 111 19.146 -2.551 7.839 1.00 0.00 O ATOM 1816 CB PRO A 111 20.104 -5.377 8.836 1.00 0.00 C ATOM 1817 CG PRO A 111 20.443 -5.552 7.388 1.00 0.00 C ATOM 1818 CD PRO A 111 19.140 -5.576 6.618 1.00 0.00 C ATOM 0 HA PRO A 111 18.129 -4.930 9.720 1.00 0.00 H new ATOM 0 HB2 PRO A 111 20.848 -4.763 9.344 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.076 -6.336 9.353 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.079 -4.737 7.041 1.00 0.00 H new ATOM 0 HG3 PRO A 111 20.998 -6.477 7.233 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.154 -4.871 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.943 -6.562 6.197 1.00 0.00 H new ATOM 1826 N ASP A 112 18.757 -2.626 10.058 1.00 0.00 N ATOM 1827 CA ASP A 112 18.917 -1.195 10.269 1.00 0.00 C ATOM 1828 C ASP A 112 20.231 -0.922 10.984 1.00 0.00 C ATOM 1829 O ASP A 112 21.263 -0.773 10.298 1.00 0.00 O ATOM 1830 CB ASP A 112 17.757 -0.620 11.088 1.00 0.00 C ATOM 1831 CG ASP A 112 16.636 -0.062 10.232 1.00 0.00 C ATOM 1832 OD1 ASP A 112 15.592 -0.734 10.090 1.00 0.00 O ATOM 1833 OD2 ASP A 112 16.789 1.067 9.716 1.00 0.00 O ATOM 1834 OXT ASP A 112 20.232 -0.870 12.231 1.00 0.00 O ATOM 0 H ASP A 112 18.531 -3.148 10.905 1.00 0.00 H new ATOM 0 HA ASP A 112 18.920 -0.709 9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 112 17.357 -1.400 11.735 1.00 0.00 H new ATOM 0 HB3 ASP A 112 18.136 0.169 11.737 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -24.078 -2.195 10.470 1.00 0.00 N ATOM 1841 CA HIS B 281 -24.565 -1.060 9.654 1.00 0.00 C ATOM 1842 C HIS B 281 -23.410 -0.435 8.895 1.00 0.00 C ATOM 1843 O HIS B 281 -22.343 -0.205 9.461 1.00 0.00 O ATOM 1844 CB HIS B 281 -25.230 0.011 10.528 1.00 0.00 C ATOM 1845 CG HIS B 281 -26.466 -0.448 11.237 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -26.549 -0.552 12.609 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -27.681 -0.814 10.762 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -27.755 -0.966 12.944 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -28.460 -1.131 11.846 1.00 0.00 N ATOM 0 HA HIS B 281 -25.306 -1.447 8.954 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -24.509 0.357 11.268 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -25.482 0.868 9.903 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -27.980 -0.850 9.725 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -28.105 -1.140 13.951 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -29.430 -1.444 11.807 1.00 0.00 H new ATOM 1860 N ASN B 282 -23.620 -0.163 7.621 1.00 0.00 N ATOM 1861 CA ASN B 282 -22.581 0.430 6.794 1.00 0.00 C ATOM 1862 C ASN B 282 -22.725 1.944 6.789 1.00 0.00 C ATOM 1863 O ASN B 282 -23.484 2.501 5.996 1.00 0.00 O ATOM 1864 CB ASN B 282 -22.644 -0.110 5.358 1.00 0.00 C ATOM 1865 CG ASN B 282 -22.307 -1.590 5.251 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -22.516 -2.366 6.183 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -21.798 -1.993 4.098 1.00 0.00 N ATOM 0 H ASN B 282 -24.499 -0.342 7.135 1.00 0.00 H new ATOM 0 HA ASN B 282 -21.612 0.161 7.215 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -23.645 0.056 4.959 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -21.954 0.458 4.734 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -21.565 -2.976 3.959 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -21.639 -1.320 3.348 1.00 0.00 H new ATOM 1874 N LEU B 283 -22.015 2.606 7.693 1.00 0.00 N ATOM 1875 CA LEU B 283 -22.062 4.061 7.783 1.00 0.00 C ATOM 1876 C LEU B 283 -21.305 4.683 6.619 1.00 0.00 C ATOM 1877 O LEU B 283 -21.693 5.729 6.091 1.00 0.00 O ATOM 1878 CB LEU B 283 -21.474 4.555 9.113 1.00 0.00 C ATOM 1879 CG LEU B 283 -22.341 4.331 10.359 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -22.403 2.859 10.735 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -21.813 5.154 11.523 1.00 0.00 C ATOM 0 H LEU B 283 -21.400 2.160 8.374 1.00 0.00 H new ATOM 0 HA LEU B 283 -23.107 4.367 7.738 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -20.515 4.061 9.269 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -21.272 5.622 9.023 1.00 0.00 H new ATOM 0 HG LEU B 283 -23.354 4.657 10.125 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -23.025 2.736 11.622 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -22.831 2.290 9.909 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -21.397 2.494 10.944 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -22.437 4.986 12.400 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -20.788 4.856 11.744 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -21.834 6.212 11.260 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.226 4.026 6.222 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.417 4.487 5.107 1.00 0.00 C ATOM 1895 C LEU B 284 -19.739 3.697 3.846 1.00 0.00 C ATOM 1896 O LEU B 284 -20.316 2.607 3.905 1.00 0.00 O ATOM 1897 CB LEU B 284 -17.924 4.349 5.427 1.00 0.00 C ATOM 1898 CG LEU B 284 -17.384 5.310 6.489 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -15.917 5.025 6.759 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -17.571 6.755 6.052 1.00 0.00 C ATOM 0 H LEU B 284 -19.890 3.168 6.659 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.650 5.538 4.939 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -17.734 3.328 5.757 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.358 4.497 4.507 1.00 0.00 H new ATOM 0 HG LEU B 284 -17.946 5.156 7.410 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -15.546 5.716 7.516 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -15.805 4.001 7.115 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -15.346 5.154 5.839 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -17.180 7.421 6.821 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -17.035 6.925 5.118 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -18.632 6.956 5.903 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.379 4.266 2.711 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.513 3.590 1.434 1.00 0.00 C ATOM 1914 C ARG B 285 -18.437 2.521 1.315 1.00 0.00 C ATOM 1915 O ARG B 285 -17.269 2.787 1.586 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.374 4.596 0.291 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.434 5.685 0.299 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.080 6.807 -0.660 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.091 7.862 -0.667 1.00 0.00 N ATOM 1920 CZ ARG B 285 -22.173 7.858 -1.448 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -22.378 6.861 -2.301 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -23.040 8.857 -1.384 1.00 0.00 N ATOM 0 H ARG B 285 -18.987 5.206 2.648 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.497 3.125 1.374 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.389 5.060 0.346 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -19.422 4.062 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -21.398 5.259 0.023 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.539 6.085 1.307 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -19.116 7.231 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.971 6.403 -1.666 1.00 0.00 H new ATOM 0 HE ARG B 285 -20.961 8.652 -0.035 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -21.707 6.095 -2.361 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -23.206 6.861 -2.896 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -22.881 9.630 -0.738 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -23.867 8.854 -1.981 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.816 1.319 0.925 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.841 0.249 0.778 1.00 0.00 C ATOM 1938 C ILE B 286 -17.259 0.245 -0.627 1.00 0.00 C ATOM 1939 O ILE B 286 -17.986 0.353 -1.618 1.00 0.00 O ATOM 1940 CB ILE B 286 -18.403 -1.158 1.112 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.616 -1.528 0.236 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.755 -1.247 2.592 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -20.943 -0.992 0.734 1.00 0.00 C ATOM 0 H ILE B 286 -19.778 1.058 0.706 1.00 0.00 H new ATOM 0 HA ILE B 286 -17.060 0.458 1.509 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.621 -1.884 0.888 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.445 -1.155 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -19.680 -2.614 0.168 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -19.148 -2.239 2.813 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.861 -1.069 3.190 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.508 -0.496 2.833 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -21.738 -1.302 0.056 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -21.143 -1.385 1.731 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.904 0.097 0.774 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.525 2.102 0.545 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.900 1.570 -0.370 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.370 1.536 -0.314 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.513 1.021 -1.409 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.960 0.995 -1.580 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.387 -0.048 -2.600 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.868 0.046 -2.927 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.734 -0.080 -1.686 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.222 0.098 -1.956 1.00 0.00 C HETATM 1964 N ALY B 287 -15.938 0.158 -0.692 1.00 0.00 N HETATM 1965 C ALY B 287 -15.742 -1.055 -2.803 1.00 0.00 C HETATM 1966 O ALY B 287 -15.800 -2.191 -2.338 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.984 2.555 -0.281 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -7.050 0.998 0.579 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -6.985 1.030 -1.199 1.00 0.00 H new HETATM 0 HZ ALY B 287 -8.937 0.591 -2.133 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.133 -0.739 -3.635 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.072 0.999 -3.416 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.307 1.978 -1.898 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.436 0.784 -0.622 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.163 -1.043 -2.216 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.806 0.079 -3.513 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.382 1.027 -2.503 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.415 0.663 -0.955 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.570 -1.060 -1.238 1.00 0.00 H new HETATM 0 H ALY B 287 -15.427 0.082 0.188 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.119 -0.767 -4.040 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.690 -1.784 -4.915 1.00 0.00 C ATOM 1983 C GLN B 288 -15.607 -2.689 -5.502 1.00 0.00 C ATOM 1984 O GLN B 288 -15.450 -2.792 -6.718 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.510 -1.137 -6.032 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.673 -0.300 -5.521 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.581 0.205 -6.630 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -19.029 0.396 -7.821 1.00 0.00 O flip ATOM 1989 NE2 GLN B 288 -20.777 0.410 -6.419 1.00 0.00 N flip ATOM 0 H GLN B 288 -16.041 0.159 -4.461 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.352 -2.405 -4.311 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -16.856 -0.507 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -17.895 -1.917 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -19.261 -0.895 -4.822 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -18.282 0.552 -4.964 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -21.165 0.252 -5.489 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -21.379 0.738 -7.174 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.868 -3.342 -4.617 1.00 0.00 N ATOM 1999 CA PHE B 289 -13.858 -4.316 -5.009 1.00 0.00 C ATOM 2000 C PHE B 289 -14.423 -5.722 -4.890 1.00 0.00 C ATOM 2001 O PHE B 289 -13.853 -6.582 -4.219 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.605 -4.185 -4.136 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.601 -3.177 -4.629 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -11.945 -2.225 -5.575 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.306 -3.192 -4.140 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.014 -1.306 -6.021 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.372 -2.276 -4.580 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.725 -1.330 -5.522 1.00 0.00 C ATOM 0 H PHE B 289 -14.951 -3.212 -3.609 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.578 -4.123 -6.045 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.909 -3.911 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.120 -5.159 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -12.951 -2.201 -5.968 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.023 -3.930 -3.404 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.294 -0.569 -6.759 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.366 -2.299 -4.188 1.00 0.00 H new ATOM 0 HZ PHE B 289 -8.997 -0.611 -5.868 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.557 -5.943 -5.534 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.197 -7.245 -5.517 1.00 0.00 C ATOM 2020 C LEU B 290 -15.574 -8.135 -6.586 1.00 0.00 C ATOM 2021 O LEU B 290 -16.150 -8.359 -7.651 1.00 0.00 O ATOM 2022 CB LEU B 290 -17.723 -7.132 -5.705 1.00 0.00 C ATOM 2023 CG LEU B 290 -18.213 -6.368 -6.945 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -19.583 -6.874 -7.365 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -18.291 -4.870 -6.675 1.00 0.00 C ATOM 0 H LEU B 290 -16.053 -5.235 -6.076 1.00 0.00 H new ATOM 0 HA LEU B 290 -16.033 -7.698 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -18.136 -8.140 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -18.139 -6.648 -4.821 1.00 0.00 H new ATOM 0 HG LEU B 290 -17.495 -6.541 -7.747 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -19.920 -6.325 -8.245 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -19.522 -7.936 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -20.292 -6.724 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -18.641 -4.357 -7.571 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -18.985 -4.684 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -17.303 -4.497 -6.405 1.00 0.00 H new ATOM 2037 N GLN B 291 -14.380 -8.630 -6.290 1.00 0.00 N ATOM 2038 CA GLN B 291 -13.631 -9.456 -7.227 1.00 0.00 C ATOM 2039 C GLN B 291 -14.278 -10.832 -7.375 1.00 0.00 C ATOM 2040 O GLN B 291 -13.994 -11.568 -8.321 1.00 0.00 O ATOM 2041 CB GLN B 291 -12.177 -9.598 -6.761 1.00 0.00 C ATOM 2042 CG GLN B 291 -12.027 -10.300 -5.419 1.00 0.00 C ATOM 2043 CD GLN B 291 -10.586 -10.365 -4.953 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -10.110 -9.483 -4.240 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -9.881 -11.408 -5.355 1.00 0.00 N ATOM 0 H GLN B 291 -13.906 -8.472 -5.401 1.00 0.00 H new ATOM 0 HA GLN B 291 -13.643 -8.968 -8.201 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -11.616 -10.151 -7.514 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -11.728 -8.607 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -12.624 -9.778 -4.671 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -12.426 -11.311 -5.496 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -10.313 -12.118 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -8.905 -11.503 -5.074 1.00 0.00 H new ATOM 2054 N SER B 292 -15.145 -11.162 -6.434 1.00 0.00 N ATOM 2055 CA SER B 292 -15.857 -12.424 -6.452 1.00 0.00 C ATOM 2056 C SER B 292 -17.233 -12.235 -7.085 1.00 0.00 C ATOM 2057 O SER B 292 -18.170 -11.819 -6.369 1.00 0.00 O ATOM 2058 CB SER B 292 -15.992 -12.961 -5.026 1.00 0.00 C ATOM 2059 OG SER B 292 -14.738 -12.940 -4.359 1.00 0.00 O ATOM 2060 OXT SER B 292 -17.369 -12.484 -8.301 1.00 0.00 O ATOM 0 H SER B 292 -15.373 -10.564 -5.640 1.00 0.00 H new ATOM 0 HA SER B 292 -15.298 -13.146 -7.047 1.00 0.00 H new ATOM 0 HB2 SER B 292 -16.713 -12.360 -4.473 1.00 0.00 H new ATOM 0 HB3 SER B 292 -16.379 -13.980 -5.051 1.00 0.00 H new ATOM 0 HG SER B 292 -14.846 -13.286 -3.448 1.00 0.00 H new TER 2066 SER B 292