USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 TYR OH : rot 40:sc= 0.193 USER MOD Set 1.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot 180:sc= -0.0345 USER MOD Set 2.2: A 106 TYR OH : rot 33:sc= -0.566 USER MOD Set 3.1: A 23 TYR OH : rot -142:sc= 1.2 USER MOD Set 3.2: A 46 HIS : no HD1:sc= 0.63 K(o=1.8,f=-4.4!) USER MOD Set 4.1: A 29 HIS : no HD1:sc= 0.0508 K(o=1.8,f=-3.9) USER MOD Set 4.2: A 30 ASN :FLIP amide:sc= 0.931 F(o=-0.87,f=1.8) USER MOD Set 4.3: A 33 THR OG1 : rot -4:sc= 0.774 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -5:sc= 0.0784 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 157:sc= 0.472 (180deg=0.169) USER MOD Single : A 16 CYS SG : rot 160:sc= -0.394 USER MOD Single : A 17 GLN : amide:sc= -0.828 K(o=-0.83,f=-4.6!) USER MOD Single : A 18 MET CE :methyl 177:sc= 0 (180deg=-0.0335) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -96:sc= 1.28 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 34 SER OG : rot -110:sc= -0.737 USER MOD Single : A 42 ASN : amide:sc= -4.28! C(o=-4.3!,f=-3.9!) USER MOD Single : A 47 LYS NZ :NH3+ -130:sc= -3.12! (180deg=-5.64!) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -6.51! C(o=-9.8!,f=-6.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -1.08 (180deg=-1.73!) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0206) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.258 USER MOD Single : A 62 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.074) USER MOD Single : A 64 HIS : no HE2:sc= 0.32 K(o=0.32,f=-3.8!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -4.85! C(o=-4.9!,f=-7.4!) USER MOD Single : A 68 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.7!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 72 ASN : amide:sc= -2.77! C(o=-2.8!,f=-4.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 147:sc= -0.903 (180deg=-2.65!) USER MOD Single : A 90 ASN : amide:sc= -0.131 K(o=-0.13,f=-3.7!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc=-0.000906 USER MOD Single : A 101 THR OG1 : rot 75:sc= 0.798 USER MOD Single : A 105 THR OG1 : rot -71:sc= 1.16 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.2) USER MOD Single : A 111 SER OG : rot -47:sc= 0.37 USER MOD Single : A 112 LYS NZ :NH3+ -112:sc= -0.105 (180deg=-1.43) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.169 -6.493 -1.161 1.00 0.00 N ATOM 2 CA GLY A 1 28.141 -5.479 -1.015 1.00 0.00 C ATOM 3 C GLY A 1 27.537 -5.463 0.374 1.00 0.00 C ATOM 4 O GLY A 1 28.242 -5.260 1.363 1.00 0.00 O ATOM 0 H1 GLY A 1 29.551 -6.464 -2.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.935 -6.312 -0.481 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.759 -7.431 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.567 -4.500 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.354 -5.656 -1.748 1.00 0.00 H new ATOM 8 N SER A 2 26.227 -5.674 0.451 1.00 0.00 N ATOM 9 CA SER A 2 25.526 -5.677 1.731 1.00 0.00 C ATOM 10 C SER A 2 26.117 -4.634 2.675 1.00 0.00 C ATOM 11 O SER A 2 26.290 -4.888 3.867 1.00 0.00 O ATOM 12 CB SER A 2 25.600 -7.064 2.372 1.00 0.00 C ATOM 13 OG SER A 2 26.922 -7.367 2.781 1.00 0.00 O ATOM 0 H SER A 2 25.629 -5.845 -0.357 1.00 0.00 H new ATOM 0 HA SER A 2 24.481 -5.425 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.931 -7.107 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.255 -7.815 1.662 1.00 0.00 H new ATOM 0 HG SER A 2 27.527 -6.656 2.484 1.00 0.00 H new ATOM 19 N SER A 3 26.423 -3.460 2.133 1.00 0.00 N ATOM 20 CA SER A 3 26.997 -2.379 2.926 1.00 0.00 C ATOM 21 C SER A 3 25.913 -1.417 3.400 1.00 0.00 C ATOM 22 O SER A 3 25.782 -1.150 4.594 1.00 0.00 O ATOM 23 CB SER A 3 28.045 -1.621 2.109 1.00 0.00 C ATOM 24 OG SER A 3 28.514 -0.482 2.812 1.00 0.00 O ATOM 0 H SER A 3 26.283 -3.233 1.148 1.00 0.00 H new ATOM 0 HA SER A 3 27.476 -2.818 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.881 -2.282 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.615 -1.313 1.156 1.00 0.00 H new ATOM 0 HG SER A 3 29.184 -0.016 2.270 1.00 0.00 H new ATOM 30 N GLY A 4 25.134 -0.899 2.454 1.00 0.00 N ATOM 31 CA GLY A 4 24.070 0.027 2.794 1.00 0.00 C ATOM 32 C GLY A 4 22.705 -0.477 2.369 1.00 0.00 C ATOM 33 O GLY A 4 22.347 -0.405 1.193 1.00 0.00 O ATOM 0 H GLY A 4 25.221 -1.105 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.072 0.198 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.263 0.988 2.318 1.00 0.00 H new ATOM 37 N SER A 5 21.940 -0.989 3.329 1.00 0.00 N ATOM 38 CA SER A 5 20.609 -1.513 3.046 1.00 0.00 C ATOM 39 C SER A 5 19.582 -0.385 2.991 1.00 0.00 C ATOM 40 O SER A 5 19.844 0.730 3.442 1.00 0.00 O ATOM 41 CB SER A 5 20.204 -2.535 4.111 1.00 0.00 C ATOM 42 OG SER A 5 20.276 -1.973 5.410 1.00 0.00 O ATOM 0 H SER A 5 22.219 -1.052 4.308 1.00 0.00 H new ATOM 0 HA SER A 5 20.637 -2.004 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.190 -2.884 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.857 -3.406 4.051 1.00 0.00 H new ATOM 0 HG SER A 5 20.011 -2.645 6.072 1.00 0.00 H new ATOM 48 N SER A 6 18.413 -0.684 2.434 1.00 0.00 N ATOM 49 CA SER A 6 17.348 0.304 2.314 1.00 0.00 C ATOM 50 C SER A 6 17.229 1.131 3.591 1.00 0.00 C ATOM 51 O SER A 6 17.408 0.619 4.694 1.00 0.00 O ATOM 52 CB SER A 6 16.016 -0.385 2.013 1.00 0.00 C ATOM 53 OG SER A 6 15.927 -0.750 0.646 1.00 0.00 O ATOM 0 H SER A 6 18.179 -1.603 2.059 1.00 0.00 H new ATOM 0 HA SER A 6 17.597 0.973 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.913 -1.273 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.192 0.282 2.269 1.00 0.00 H new ATOM 0 HG SER A 6 15.067 -1.190 0.480 1.00 0.00 H new ATOM 59 N GLY A 7 16.924 2.415 3.431 1.00 0.00 N ATOM 60 CA GLY A 7 16.786 3.293 4.578 1.00 0.00 C ATOM 61 C GLY A 7 15.889 4.481 4.293 1.00 0.00 C ATOM 62 O GLY A 7 15.094 4.884 5.141 1.00 0.00 O ATOM 0 H GLY A 7 16.770 2.863 2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.380 2.728 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.771 3.649 4.880 1.00 0.00 H new ATOM 66 N ALA A 8 16.015 5.044 3.095 1.00 0.00 N ATOM 67 CA ALA A 8 15.210 6.193 2.702 1.00 0.00 C ATOM 68 C ALA A 8 13.806 5.763 2.291 1.00 0.00 C ATOM 69 O ALA A 8 13.445 4.591 2.405 1.00 0.00 O ATOM 70 CB ALA A 8 15.885 6.947 1.566 1.00 0.00 C ATOM 0 H ALA A 8 16.668 4.722 2.380 1.00 0.00 H new ATOM 0 HA ALA A 8 15.123 6.856 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.272 7.803 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.865 7.295 1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.002 6.285 0.708 1.00 0.00 H new ATOM 76 N LYS A 9 13.014 6.719 1.815 1.00 0.00 N ATOM 77 CA LYS A 9 11.649 6.440 1.387 1.00 0.00 C ATOM 78 C LYS A 9 11.422 6.905 -0.047 1.00 0.00 C ATOM 79 O LYS A 9 10.291 7.180 -0.450 1.00 0.00 O ATOM 80 CB LYS A 9 10.650 7.126 2.321 1.00 0.00 C ATOM 81 CG LYS A 9 10.948 8.596 2.556 1.00 0.00 C ATOM 82 CD LYS A 9 10.255 9.477 1.530 1.00 0.00 C ATOM 83 CE LYS A 9 10.683 10.930 1.663 1.00 0.00 C ATOM 84 NZ LYS A 9 12.091 11.136 1.222 1.00 0.00 N ATOM 0 H LYS A 9 13.295 7.694 1.716 1.00 0.00 H new ATOM 0 HA LYS A 9 11.495 5.362 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.648 7.029 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.646 6.607 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.624 8.878 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.024 8.762 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.486 9.119 0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.175 9.402 1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.021 11.560 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.577 11.246 2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.229 12.132 0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.737 10.894 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.291 10.527 0.403 1.00 0.00 H new ATOM 98 N ASP A 10 12.503 6.991 -0.814 1.00 0.00 N ATOM 99 CA ASP A 10 12.423 7.421 -2.206 1.00 0.00 C ATOM 100 C ASP A 10 12.127 6.240 -3.124 1.00 0.00 C ATOM 101 O ASP A 10 11.152 6.254 -3.875 1.00 0.00 O ATOM 102 CB ASP A 10 13.727 8.098 -2.629 1.00 0.00 C ATOM 103 CG ASP A 10 14.300 8.983 -1.540 1.00 0.00 C ATOM 104 OD1 ASP A 10 13.553 9.831 -1.010 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.498 8.830 -1.220 1.00 0.00 O ATOM 0 H ASP A 10 13.446 6.769 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 10 11.606 8.138 -2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.459 7.336 -2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.549 8.696 -3.523 1.00 0.00 H new ATOM 110 N ALA A 11 12.974 5.218 -3.057 1.00 0.00 N ATOM 111 CA ALA A 11 12.803 4.028 -3.880 1.00 0.00 C ATOM 112 C ALA A 11 11.383 3.483 -3.768 1.00 0.00 C ATOM 113 O ALA A 11 10.713 3.254 -4.775 1.00 0.00 O ATOM 114 CB ALA A 11 13.813 2.962 -3.485 1.00 0.00 C ATOM 0 H ALA A 11 13.786 5.191 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 11 12.976 4.308 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.673 2.079 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.823 3.348 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.668 2.694 -2.438 1.00 0.00 H new ATOM 120 N LEU A 12 10.931 3.274 -2.537 1.00 0.00 N ATOM 121 CA LEU A 12 9.590 2.754 -2.292 1.00 0.00 C ATOM 122 C LEU A 12 8.530 3.677 -2.884 1.00 0.00 C ATOM 123 O LEU A 12 7.705 3.253 -3.693 1.00 0.00 O ATOM 124 CB LEU A 12 9.353 2.585 -0.789 1.00 0.00 C ATOM 125 CG LEU A 12 8.027 1.938 -0.387 1.00 0.00 C ATOM 126 CD1 LEU A 12 7.952 0.509 -0.900 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.852 1.975 1.124 1.00 0.00 C ATOM 0 H LEU A 12 11.473 3.457 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 12 9.511 1.782 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.166 1.986 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.412 3.567 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 12 7.215 2.507 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.001 0.066 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.030 0.508 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.771 -0.073 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.903 1.510 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.669 1.431 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.858 3.010 1.466 1.00 0.00 H new ATOM 139 N LEU A 13 8.561 4.942 -2.478 1.00 0.00 N ATOM 140 CA LEU A 13 7.605 5.927 -2.970 1.00 0.00 C ATOM 141 C LEU A 13 7.395 5.778 -4.473 1.00 0.00 C ATOM 142 O LEU A 13 6.275 5.898 -4.970 1.00 0.00 O ATOM 143 CB LEU A 13 8.090 7.342 -2.648 1.00 0.00 C ATOM 144 CG LEU A 13 7.305 8.483 -3.297 1.00 0.00 C ATOM 145 CD1 LEU A 13 5.974 8.685 -2.591 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.121 9.768 -3.279 1.00 0.00 C ATOM 0 H LEU A 13 9.238 5.309 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 13 6.652 5.754 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.062 7.477 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.133 7.426 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 13 7.105 8.217 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.430 9.501 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.385 7.770 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.151 8.929 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.548 10.570 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.352 10.038 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.049 9.618 -3.831 1.00 0.00 H new ATOM 158 N LEU A 14 8.480 5.516 -5.194 1.00 0.00 N ATOM 159 CA LEU A 14 8.417 5.348 -6.642 1.00 0.00 C ATOM 160 C LEU A 14 7.666 4.073 -7.009 1.00 0.00 C ATOM 161 O LEU A 14 6.917 4.041 -7.986 1.00 0.00 O ATOM 162 CB LEU A 14 9.827 5.313 -7.234 1.00 0.00 C ATOM 163 CG LEU A 14 9.929 4.876 -8.696 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.326 5.929 -9.612 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.380 4.607 -9.071 1.00 0.00 C ATOM 0 H LEU A 14 9.415 5.415 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 14 7.877 6.198 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.263 6.308 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.436 4.640 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 14 9.365 3.952 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.408 5.600 -10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.276 6.073 -9.359 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.862 6.870 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.435 4.297 -10.115 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.966 5.515 -8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.779 3.816 -8.436 1.00 0.00 H new ATOM 177 N TRP A 15 7.870 3.024 -6.220 1.00 0.00 N ATOM 178 CA TRP A 15 7.211 1.746 -6.461 1.00 0.00 C ATOM 179 C TRP A 15 5.698 1.918 -6.531 1.00 0.00 C ATOM 180 O TRP A 15 5.070 1.569 -7.531 1.00 0.00 O ATOM 181 CB TRP A 15 7.572 0.747 -5.361 1.00 0.00 C ATOM 182 CG TRP A 15 7.106 -0.649 -5.649 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.497 -1.446 -6.687 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.159 -1.410 -4.891 1.00 0.00 C ATOM 185 NE1 TRP A 15 6.850 -2.657 -6.619 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.025 -2.660 -5.526 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.413 -1.157 -3.737 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.174 -3.651 -5.045 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.569 -2.142 -3.260 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.455 -3.377 -3.913 1.00 0.00 C ATOM 0 H TRP A 15 8.487 3.034 -5.408 1.00 0.00 H new ATOM 0 HA TRP A 15 7.559 1.362 -7.420 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.654 0.741 -5.227 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.136 1.081 -4.420 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.209 -1.166 -7.449 1.00 0.00 H new ATOM 0 HE1 TRP A 15 6.966 -3.428 -7.276 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.494 -0.209 -3.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.084 -4.603 -5.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.987 -1.957 -2.369 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.787 -4.127 -3.515 1.00 0.00 H new ATOM 201 N CYS A 16 5.118 2.459 -5.465 1.00 0.00 N ATOM 202 CA CYS A 16 3.677 2.677 -5.406 1.00 0.00 C ATOM 203 C CYS A 16 3.216 3.575 -6.549 1.00 0.00 C ATOM 204 O CYS A 16 2.092 3.449 -7.034 1.00 0.00 O ATOM 205 CB CYS A 16 3.289 3.300 -4.064 1.00 0.00 C ATOM 206 SG CYS A 16 3.901 2.393 -2.625 1.00 0.00 S ATOM 0 H CYS A 16 5.624 2.755 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 16 3.184 1.710 -5.506 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.670 4.321 -4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.202 3.363 -4.005 1.00 0.00 H new ATOM 0 HG CYS A 16 3.906 3.177 -1.588 1.00 0.00 H new ATOM 212 N GLN A 17 4.092 4.480 -6.974 1.00 0.00 N ATOM 213 CA GLN A 17 3.773 5.402 -8.059 1.00 0.00 C ATOM 214 C GLN A 17 3.564 4.647 -9.369 1.00 0.00 C ATOM 215 O GLN A 17 2.663 4.967 -10.143 1.00 0.00 O ATOM 216 CB GLN A 17 4.888 6.435 -8.223 1.00 0.00 C ATOM 217 CG GLN A 17 4.757 7.624 -7.286 1.00 0.00 C ATOM 218 CD GLN A 17 5.979 8.523 -7.310 1.00 0.00 C ATOM 219 OE1 GLN A 17 7.053 8.116 -7.751 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.819 9.752 -6.834 1.00 0.00 N ATOM 0 H GLN A 17 5.028 4.595 -6.584 1.00 0.00 H new ATOM 0 HA GLN A 17 2.846 5.917 -7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.849 5.951 -8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.892 6.793 -9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.877 8.205 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.595 7.265 -6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.910 10.047 -6.478 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.605 10.402 -6.824 1.00 0.00 H new ATOM 229 N MET A 18 4.404 3.647 -9.609 1.00 0.00 N ATOM 230 CA MET A 18 4.311 2.847 -10.825 1.00 0.00 C ATOM 231 C MET A 18 3.010 2.050 -10.854 1.00 0.00 C ATOM 232 O MET A 18 2.290 2.054 -11.853 1.00 0.00 O ATOM 233 CB MET A 18 5.506 1.898 -10.930 1.00 0.00 C ATOM 234 CG MET A 18 6.841 2.614 -11.068 1.00 0.00 C ATOM 235 SD MET A 18 8.158 1.523 -11.641 1.00 0.00 S ATOM 236 CE MET A 18 8.460 0.554 -10.166 1.00 0.00 C ATOM 0 H MET A 18 5.157 3.371 -8.978 1.00 0.00 H new ATOM 0 HA MET A 18 4.320 3.526 -11.678 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.534 1.263 -10.045 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.364 1.242 -11.789 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.733 3.445 -11.766 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.121 3.041 -10.105 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.214 -0.204 -10.377 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.814 1.207 -9.368 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.535 0.069 -9.854 1.00 0.00 H new ATOM 246 N LYS A 19 2.716 1.367 -9.753 1.00 0.00 N ATOM 247 CA LYS A 19 1.501 0.567 -9.651 1.00 0.00 C ATOM 248 C LYS A 19 0.260 1.446 -9.752 1.00 0.00 C ATOM 249 O LYS A 19 -0.643 1.176 -10.546 1.00 0.00 O ATOM 250 CB LYS A 19 1.485 -0.207 -8.330 1.00 0.00 C ATOM 251 CG LYS A 19 2.786 -0.934 -8.037 1.00 0.00 C ATOM 252 CD LYS A 19 3.054 -2.031 -9.054 1.00 0.00 C ATOM 253 CE LYS A 19 4.185 -2.943 -8.605 1.00 0.00 C ATOM 254 NZ LYS A 19 4.916 -3.530 -9.762 1.00 0.00 N ATOM 0 H LYS A 19 3.302 1.351 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 19 1.491 -0.140 -10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.274 0.485 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.671 -0.931 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.611 -0.222 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.745 -1.366 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.149 -2.619 -9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.306 -1.584 -10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.881 -2.380 -7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.782 -3.744 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.679 -4.145 -9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.257 -4.089 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.323 -2.766 -10.339 1.00 0.00 H new ATOM 268 N THR A 20 0.220 2.501 -8.944 1.00 0.00 N ATOM 269 CA THR A 20 -0.912 3.420 -8.943 1.00 0.00 C ATOM 270 C THR A 20 -0.982 4.207 -10.247 1.00 0.00 C ATOM 271 O THR A 20 -2.054 4.648 -10.659 1.00 0.00 O ATOM 272 CB THR A 20 -0.831 4.409 -7.765 1.00 0.00 C ATOM 273 OG1 THR A 20 0.387 5.157 -7.835 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.904 3.672 -6.435 1.00 0.00 C ATOM 0 H THR A 20 0.958 2.740 -8.282 1.00 0.00 H new ATOM 0 HA THR A 20 -1.812 2.813 -8.838 1.00 0.00 H new ATOM 0 HB THR A 20 -1.679 5.091 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.063 4.735 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.845 4.390 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.846 3.127 -6.372 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.073 2.970 -6.362 1.00 0.00 H new ATOM 282 N ALA A 21 0.167 4.378 -10.892 1.00 0.00 N ATOM 283 CA ALA A 21 0.235 5.108 -12.152 1.00 0.00 C ATOM 284 C ALA A 21 -0.865 4.658 -13.107 1.00 0.00 C ATOM 285 O ALA A 21 -0.852 3.529 -13.594 1.00 0.00 O ATOM 286 CB ALA A 21 1.602 4.928 -12.794 1.00 0.00 C ATOM 0 H ALA A 21 1.064 4.021 -10.563 1.00 0.00 H new ATOM 0 HA ALA A 21 0.084 6.166 -11.939 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.638 5.479 -13.734 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.372 5.307 -12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.777 3.870 -12.987 1.00 0.00 H new ATOM 292 N GLY A 22 -1.815 5.550 -13.371 1.00 0.00 N ATOM 293 CA GLY A 22 -2.909 5.225 -14.268 1.00 0.00 C ATOM 294 C GLY A 22 -4.238 5.117 -13.546 1.00 0.00 C ATOM 295 O GLY A 22 -5.275 5.511 -14.078 1.00 0.00 O ATOM 0 H GLY A 22 -1.847 6.492 -12.980 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.980 5.990 -15.041 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.695 4.282 -14.771 1.00 0.00 H new ATOM 299 N TYR A 23 -4.207 4.580 -12.331 1.00 0.00 N ATOM 300 CA TYR A 23 -5.418 4.417 -11.537 1.00 0.00 C ATOM 301 C TYR A 23 -6.201 5.724 -11.462 1.00 0.00 C ATOM 302 O TYR A 23 -5.670 6.810 -11.695 1.00 0.00 O ATOM 303 CB TYR A 23 -5.069 3.938 -10.126 1.00 0.00 C ATOM 304 CG TYR A 23 -4.934 2.436 -10.013 1.00 0.00 C ATOM 305 CD1 TYR A 23 -3.971 1.748 -10.740 1.00 0.00 C ATOM 306 CD2 TYR A 23 -5.770 1.706 -9.177 1.00 0.00 C ATOM 307 CE1 TYR A 23 -3.846 0.376 -10.640 1.00 0.00 C ATOM 308 CE2 TYR A 23 -5.650 0.333 -9.069 1.00 0.00 C ATOM 309 CZ TYR A 23 -4.687 -0.326 -9.803 1.00 0.00 C ATOM 310 OH TYR A 23 -4.565 -1.694 -9.699 1.00 0.00 O ATOM 0 H TYR A 23 -3.356 4.250 -11.875 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.042 3.668 -12.024 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.134 4.403 -9.814 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.840 4.278 -9.435 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.309 2.295 -11.395 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.526 2.220 -8.602 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.094 -0.144 -11.214 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.307 -0.220 -8.414 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.455 -2.097 -9.626 1.00 0.00 H new ATOM 320 N PRO A 24 -7.496 5.619 -11.129 1.00 0.00 N ATOM 321 CA PRO A 24 -8.381 6.783 -11.014 1.00 0.00 C ATOM 322 C PRO A 24 -8.039 7.653 -9.809 1.00 0.00 C ATOM 323 O PRO A 24 -7.985 7.173 -8.679 1.00 0.00 O ATOM 324 CB PRO A 24 -9.767 6.158 -10.847 1.00 0.00 C ATOM 325 CG PRO A 24 -9.509 4.811 -10.263 1.00 0.00 C ATOM 326 CD PRO A 24 -8.196 4.357 -10.837 1.00 0.00 C ATOM 0 HA PRO A 24 -8.299 7.446 -11.875 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.396 6.760 -10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.285 6.082 -11.803 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.464 4.859 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.308 4.115 -10.518 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.639 3.743 -10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.337 3.758 -11.737 1.00 0.00 H new ATOM 334 N ASN A 25 -7.811 8.939 -10.060 1.00 0.00 N ATOM 335 CA ASN A 25 -7.476 9.878 -8.996 1.00 0.00 C ATOM 336 C ASN A 25 -6.549 9.230 -7.972 1.00 0.00 C ATOM 337 O ASN A 25 -6.598 9.548 -6.784 1.00 0.00 O ATOM 338 CB ASN A 25 -8.747 10.375 -8.306 1.00 0.00 C ATOM 339 CG ASN A 25 -9.504 11.385 -9.147 1.00 0.00 C ATOM 340 OD1 ASN A 25 -9.033 12.500 -9.371 1.00 0.00 O ATOM 341 ND2 ASN A 25 -10.683 10.997 -9.619 1.00 0.00 N ATOM 0 H ASN A 25 -7.852 9.354 -10.991 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.959 10.726 -9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.396 9.526 -8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.485 10.827 -7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.237 11.633 -10.193 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.034 10.063 -9.408 1.00 0.00 H new ATOM 348 N VAL A 26 -5.701 8.318 -8.441 1.00 0.00 N ATOM 349 CA VAL A 26 -4.761 7.627 -7.568 1.00 0.00 C ATOM 350 C VAL A 26 -3.320 7.980 -7.921 1.00 0.00 C ATOM 351 O VAL A 26 -2.760 7.455 -8.882 1.00 0.00 O ATOM 352 CB VAL A 26 -4.939 6.099 -7.649 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.888 5.393 -6.807 1.00 0.00 C ATOM 354 CG2 VAL A 26 -6.341 5.701 -7.210 1.00 0.00 C ATOM 0 H VAL A 26 -5.647 8.042 -9.421 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.973 7.957 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.806 5.791 -8.686 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.030 4.315 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.894 5.653 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.985 5.705 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.449 4.618 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.505 6.022 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.075 6.177 -7.860 1.00 0.00 H new ATOM 364 N ASN A 27 -2.726 8.872 -7.136 1.00 0.00 N ATOM 365 CA ASN A 27 -1.350 9.295 -7.365 1.00 0.00 C ATOM 366 C ASN A 27 -0.573 9.355 -6.054 1.00 0.00 C ATOM 367 O ASN A 27 -0.870 10.167 -5.179 1.00 0.00 O ATOM 368 CB ASN A 27 -1.323 10.664 -8.049 1.00 0.00 C ATOM 369 CG ASN A 27 -2.308 10.756 -9.199 1.00 0.00 C ATOM 370 OD1 ASN A 27 -3.437 11.217 -9.028 1.00 0.00 O ATOM 371 ND2 ASN A 27 -1.884 10.316 -10.377 1.00 0.00 N ATOM 0 H ASN A 27 -3.176 9.316 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.874 8.561 -8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.551 11.438 -7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.317 10.862 -8.419 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.502 10.352 -11.187 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.940 9.942 -10.472 1.00 0.00 H new ATOM 378 N VAL A 28 0.427 8.487 -5.925 1.00 0.00 N ATOM 379 CA VAL A 28 1.248 8.442 -4.721 1.00 0.00 C ATOM 380 C VAL A 28 2.400 9.436 -4.804 1.00 0.00 C ATOM 381 O VAL A 28 3.479 9.115 -5.305 1.00 0.00 O ATOM 382 CB VAL A 28 1.819 7.030 -4.486 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.665 7.001 -3.222 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.696 6.007 -4.409 1.00 0.00 C ATOM 0 H VAL A 28 0.687 7.807 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 28 0.601 8.710 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 28 2.459 6.770 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.060 5.996 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.491 7.705 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.050 7.281 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.118 5.016 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.029 6.260 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.136 6.011 -5.344 1.00 0.00 H new ATOM 394 N HIS A 29 2.164 10.648 -4.310 1.00 0.00 N ATOM 395 CA HIS A 29 3.184 11.691 -4.327 1.00 0.00 C ATOM 396 C HIS A 29 3.882 11.791 -2.974 1.00 0.00 C ATOM 397 O HIS A 29 5.106 11.878 -2.902 1.00 0.00 O ATOM 398 CB HIS A 29 2.558 13.038 -4.691 1.00 0.00 C ATOM 399 CG HIS A 29 3.477 14.202 -4.477 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.571 14.875 -3.277 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.345 14.811 -5.318 1.00 0.00 C ATOM 402 CE1 HIS A 29 4.457 15.848 -3.390 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.942 15.832 -4.618 1.00 0.00 N ATOM 0 H HIS A 29 1.277 10.932 -3.894 1.00 0.00 H new ATOM 0 HA HIS A 29 3.926 11.427 -5.080 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.250 13.016 -5.736 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.656 13.183 -4.096 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.533 14.544 -6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.737 16.540 -2.610 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.645 16.473 -4.987 1.00 0.00 H new ATOM 412 N ASN A 30 3.093 11.777 -1.904 1.00 0.00 N ATOM 413 CA ASN A 30 3.636 11.867 -0.554 1.00 0.00 C ATOM 414 C ASN A 30 3.221 10.659 0.281 1.00 0.00 C ATOM 415 O ASN A 30 2.439 9.821 -0.167 1.00 0.00 O ATOM 416 CB ASN A 30 3.164 13.155 0.124 1.00 0.00 C ATOM 417 CG ASN A 30 1.750 13.532 -0.272 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.779 12.748 0.184 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.532 14.515 -0.980 1.00 0.00 N flip ATOM 0 H ASN A 30 2.076 11.704 -1.946 1.00 0.00 H new ATOM 0 HA ASN A 30 4.723 11.880 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.215 13.033 1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.841 13.969 -0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.308 15.090 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.575 14.755 -1.239 1.00 0.00 H new ATOM 426 N PHE A 31 3.750 10.578 1.498 1.00 0.00 N ATOM 427 CA PHE A 31 3.435 9.473 2.396 1.00 0.00 C ATOM 428 C PHE A 31 2.451 9.913 3.475 1.00 0.00 C ATOM 429 O PHE A 31 2.242 9.212 4.466 1.00 0.00 O ATOM 430 CB PHE A 31 4.712 8.934 3.042 1.00 0.00 C ATOM 431 CG PHE A 31 5.553 8.107 2.113 1.00 0.00 C ATOM 432 CD1 PHE A 31 5.204 6.798 1.820 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.692 8.639 1.528 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.976 6.035 0.965 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.468 7.880 0.672 1.00 0.00 C ATOM 436 CZ PHE A 31 7.109 6.578 0.389 1.00 0.00 C ATOM 0 H PHE A 31 4.398 11.264 1.884 1.00 0.00 H new ATOM 0 HA PHE A 31 2.971 8.680 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.306 9.772 3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.444 8.331 3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.318 6.369 2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.976 9.658 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.694 5.015 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.354 8.306 0.225 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.712 5.984 -0.282 1.00 0.00 H new ATOM 446 N THR A 32 1.848 11.081 3.277 1.00 0.00 N ATOM 447 CA THR A 32 0.887 11.617 4.234 1.00 0.00 C ATOM 448 C THR A 32 -0.505 11.706 3.622 1.00 0.00 C ATOM 449 O THR A 32 -1.382 10.896 3.925 1.00 0.00 O ATOM 450 CB THR A 32 1.309 13.013 4.730 1.00 0.00 C ATOM 451 OG1 THR A 32 1.537 13.881 3.615 1.00 0.00 O ATOM 452 CG2 THR A 32 2.568 12.928 5.579 1.00 0.00 C ATOM 0 H THR A 32 2.008 11.674 2.463 1.00 0.00 H new ATOM 0 HA THR A 32 0.865 10.930 5.080 1.00 0.00 H new ATOM 0 HB THR A 32 0.503 13.415 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.803 14.767 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.847 13.926 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.382 12.290 6.443 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.379 12.507 4.985 1.00 0.00 H new ATOM 460 N THR A 33 -0.705 12.697 2.758 1.00 0.00 N ATOM 461 CA THR A 33 -1.993 12.893 2.104 1.00 0.00 C ATOM 462 C THR A 33 -2.138 11.981 0.890 1.00 0.00 C ATOM 463 O THR A 33 -2.722 12.367 -0.122 1.00 0.00 O ATOM 464 CB THR A 33 -2.179 14.355 1.658 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.192 14.700 0.679 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.076 15.300 2.845 1.00 0.00 C ATOM 0 H THR A 33 0.009 13.376 2.495 1.00 0.00 H new ATOM 0 HA THR A 33 -2.761 12.643 2.836 1.00 0.00 H new ATOM 0 HB THR A 33 -3.172 14.454 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.575 13.949 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.211 16.327 2.505 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.849 15.055 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.095 15.197 3.308 1.00 0.00 H new ATOM 474 N SER A 34 -1.601 10.769 0.999 1.00 0.00 N ATOM 475 CA SER A 34 -1.669 9.804 -0.091 1.00 0.00 C ATOM 476 C SER A 34 -2.363 8.522 0.361 1.00 0.00 C ATOM 477 O SER A 34 -2.928 7.790 -0.452 1.00 0.00 O ATOM 478 CB SER A 34 -0.263 9.482 -0.602 1.00 0.00 C ATOM 479 OG SER A 34 -0.317 8.720 -1.797 1.00 0.00 O ATOM 0 H SER A 34 -1.115 10.433 1.830 1.00 0.00 H new ATOM 0 HA SER A 34 -2.251 10.246 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.283 10.408 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.287 8.930 0.160 1.00 0.00 H new ATOM 0 HG SER A 34 -0.010 7.807 -1.617 1.00 0.00 H new ATOM 485 N TRP A 35 -2.316 8.258 1.662 1.00 0.00 N ATOM 486 CA TRP A 35 -2.939 7.065 2.222 1.00 0.00 C ATOM 487 C TRP A 35 -3.982 7.438 3.270 1.00 0.00 C ATOM 488 O TRP A 35 -4.478 6.577 3.998 1.00 0.00 O ATOM 489 CB TRP A 35 -1.879 6.152 2.842 1.00 0.00 C ATOM 490 CG TRP A 35 -0.608 6.098 2.049 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.317 7.093 1.915 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.123 4.990 1.282 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.349 6.671 1.110 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.102 5.384 0.710 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.603 3.704 1.025 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.849 4.537 -0.104 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.139 2.864 0.217 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.355 3.282 -0.339 1.00 0.00 C ATOM 0 H TRP A 35 -1.853 8.854 2.348 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.437 6.532 1.412 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.656 6.499 3.851 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.285 5.145 2.934 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.248 8.068 2.374 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.165 7.226 0.853 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.538 3.372 1.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.786 4.859 -0.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.225 1.868 0.011 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.913 2.601 -0.965 1.00 0.00 H new ATOM 509 N ARG A 36 -4.310 8.723 3.342 1.00 0.00 N ATOM 510 CA ARG A 36 -5.293 9.209 4.302 1.00 0.00 C ATOM 511 C ARG A 36 -6.661 8.583 4.045 1.00 0.00 C ATOM 512 O ARG A 36 -7.297 8.059 4.958 1.00 0.00 O ATOM 513 CB ARG A 36 -5.397 10.734 4.232 1.00 0.00 C ATOM 514 CG ARG A 36 -6.351 11.327 5.255 1.00 0.00 C ATOM 515 CD ARG A 36 -6.996 12.605 4.740 1.00 0.00 C ATOM 516 NE ARG A 36 -8.131 13.014 5.562 1.00 0.00 N ATOM 517 CZ ARG A 36 -9.122 13.780 5.117 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.117 14.216 3.865 1.00 0.00 N ATOM 519 NH2 ARG A 36 -10.121 14.110 5.926 1.00 0.00 N ATOM 0 H ARG A 36 -3.909 9.447 2.746 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.962 8.920 5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.406 11.164 4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.724 11.022 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.125 10.599 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.811 11.537 6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.255 13.404 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.328 12.455 3.713 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.165 12.695 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.351 13.964 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.879 14.804 3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.129 13.776 6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.881 14.698 5.584 1.00 0.00 H new ATOM 533 N ASP A 37 -7.106 8.642 2.795 1.00 0.00 N ATOM 534 CA ASP A 37 -8.397 8.081 2.415 1.00 0.00 C ATOM 535 C ASP A 37 -8.357 6.556 2.442 1.00 0.00 C ATOM 536 O ASP A 37 -9.163 5.915 3.114 1.00 0.00 O ATOM 537 CB ASP A 37 -8.800 8.569 1.022 1.00 0.00 C ATOM 538 CG ASP A 37 -8.947 10.076 0.956 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.825 10.617 1.660 1.00 0.00 O ATOM 540 OD2 ASP A 37 -8.184 10.715 0.202 1.00 0.00 O ATOM 0 H ASP A 37 -6.591 9.073 2.027 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.139 8.419 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.052 8.248 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.742 8.102 0.735 1.00 0.00 H new ATOM 545 N GLY A 38 -7.410 5.982 1.704 1.00 0.00 N ATOM 546 CA GLY A 38 -7.282 4.538 1.657 1.00 0.00 C ATOM 547 C GLY A 38 -7.086 4.019 0.246 1.00 0.00 C ATOM 548 O GLY A 38 -6.383 3.030 0.032 1.00 0.00 O ATOM 0 H GLY A 38 -6.731 6.492 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.438 4.231 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.174 4.083 2.088 1.00 0.00 H new ATOM 552 N LEU A 39 -7.709 4.686 -0.720 1.00 0.00 N ATOM 553 CA LEU A 39 -7.601 4.286 -2.118 1.00 0.00 C ATOM 554 C LEU A 39 -6.220 3.710 -2.415 1.00 0.00 C ATOM 555 O LEU A 39 -6.090 2.545 -2.789 1.00 0.00 O ATOM 556 CB LEU A 39 -7.876 5.480 -3.034 1.00 0.00 C ATOM 557 CG LEU A 39 -9.321 5.979 -3.071 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.473 7.099 -4.088 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.272 4.834 -3.388 1.00 0.00 C ATOM 0 H LEU A 39 -8.294 5.506 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.345 3.512 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.236 6.306 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.580 5.210 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.575 6.374 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.508 7.441 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.820 7.928 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.201 6.732 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.296 5.207 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.019 4.409 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.183 4.064 -2.621 1.00 0.00 H new ATOM 571 N ALA A 40 -5.192 4.535 -2.244 1.00 0.00 N ATOM 572 CA ALA A 40 -3.821 4.107 -2.489 1.00 0.00 C ATOM 573 C ALA A 40 -3.611 2.659 -2.057 1.00 0.00 C ATOM 574 O ALA A 40 -3.216 1.812 -2.859 1.00 0.00 O ATOM 575 CB ALA A 40 -2.844 5.021 -1.764 1.00 0.00 C ATOM 0 H ALA A 40 -5.283 5.503 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.635 4.170 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.824 4.689 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.967 6.043 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.041 4.987 -0.692 1.00 0.00 H new ATOM 581 N PHE A 41 -3.879 2.381 -0.786 1.00 0.00 N ATOM 582 CA PHE A 41 -3.719 1.035 -0.247 1.00 0.00 C ATOM 583 C PHE A 41 -4.537 0.027 -1.049 1.00 0.00 C ATOM 584 O PHE A 41 -4.048 -1.045 -1.403 1.00 0.00 O ATOM 585 CB PHE A 41 -4.142 0.997 1.223 1.00 0.00 C ATOM 586 CG PHE A 41 -3.087 1.506 2.164 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.818 0.948 2.169 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.363 2.542 3.041 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.845 1.415 3.032 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.394 3.012 3.907 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.134 2.447 3.904 1.00 0.00 C ATOM 0 H PHE A 41 -4.208 3.070 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.666 0.764 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.047 1.592 1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.395 -0.028 1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.587 0.140 1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.347 2.988 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.141 0.974 3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.622 3.821 4.586 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.376 2.811 4.582 1.00 0.00 H new ATOM 601 N ASN A 42 -5.788 0.380 -1.331 1.00 0.00 N ATOM 602 CA ASN A 42 -6.676 -0.493 -2.090 1.00 0.00 C ATOM 603 C ASN A 42 -6.293 -0.507 -3.566 1.00 0.00 C ATOM 604 O ASN A 42 -6.935 -1.173 -4.378 1.00 0.00 O ATOM 605 CB ASN A 42 -8.129 -0.041 -1.931 1.00 0.00 C ATOM 606 CG ASN A 42 -8.598 -0.099 -0.490 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.702 -1.176 0.097 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.885 1.062 0.086 1.00 0.00 N ATOM 0 H ASN A 42 -6.209 1.264 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.574 -1.505 -1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.232 0.978 -2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.772 -0.671 -2.545 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.206 1.086 1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.784 1.931 -0.439 1.00 0.00 H new ATOM 615 N ALA A 43 -5.244 0.234 -3.907 1.00 0.00 N ATOM 616 CA ALA A 43 -4.775 0.305 -5.285 1.00 0.00 C ATOM 617 C ALA A 43 -3.617 -0.658 -5.522 1.00 0.00 C ATOM 618 O ALA A 43 -3.498 -1.248 -6.596 1.00 0.00 O ATOM 619 CB ALA A 43 -4.358 1.728 -5.628 1.00 0.00 C ATOM 0 H ALA A 43 -4.703 0.794 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.597 0.011 -5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.010 1.766 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.211 2.396 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.554 2.042 -4.962 1.00 0.00 H new ATOM 625 N ILE A 44 -2.766 -0.813 -4.513 1.00 0.00 N ATOM 626 CA ILE A 44 -1.619 -1.705 -4.612 1.00 0.00 C ATOM 627 C ILE A 44 -2.062 -3.155 -4.777 1.00 0.00 C ATOM 628 O ILE A 44 -1.639 -3.843 -5.705 1.00 0.00 O ATOM 629 CB ILE A 44 -0.711 -1.595 -3.372 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.210 -0.160 -3.205 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.459 -2.561 -3.486 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.265 0.155 -1.804 1.00 0.00 C ATOM 0 H ILE A 44 -2.850 -0.332 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.056 -1.397 -5.493 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.292 -1.861 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.607 0.015 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.011 0.529 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.092 -2.472 -2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.083 -3.581 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.042 -2.323 -4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.606 1.189 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.556 0.013 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.088 -0.510 -1.541 1.00 0.00 H new ATOM 644 N VAL A 45 -2.919 -3.613 -3.870 1.00 0.00 N ATOM 645 CA VAL A 45 -3.424 -4.980 -3.916 1.00 0.00 C ATOM 646 C VAL A 45 -4.174 -5.245 -5.216 1.00 0.00 C ATOM 647 O VAL A 45 -3.903 -6.224 -5.914 1.00 0.00 O ATOM 648 CB VAL A 45 -4.358 -5.274 -2.727 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.835 -6.717 -2.768 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.656 -4.973 -1.412 1.00 0.00 C ATOM 0 H VAL A 45 -3.278 -3.057 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.558 -5.640 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.231 -4.626 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.494 -6.907 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.378 -6.895 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.976 -7.386 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.330 -5.186 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.765 -5.595 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.369 -3.922 -1.385 1.00 0.00 H new ATOM 660 N HIS A 46 -5.120 -4.368 -5.536 1.00 0.00 N ATOM 661 CA HIS A 46 -5.910 -4.507 -6.755 1.00 0.00 C ATOM 662 C HIS A 46 -5.008 -4.740 -7.964 1.00 0.00 C ATOM 663 O HIS A 46 -5.396 -5.411 -8.921 1.00 0.00 O ATOM 664 CB HIS A 46 -6.767 -3.260 -6.977 1.00 0.00 C ATOM 665 CG HIS A 46 -7.638 -3.341 -8.193 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.237 -2.896 -9.435 1.00 0.00 N ATOM 667 CD2 HIS A 46 -8.894 -3.818 -8.352 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.211 -3.097 -10.306 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.227 -3.656 -9.674 1.00 0.00 N ATOM 0 H HIS A 46 -5.358 -3.554 -4.969 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.563 -5.372 -6.639 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.395 -3.100 -6.100 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.114 -2.391 -7.065 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.519 -4.247 -7.582 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.181 -2.847 -11.356 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.115 -3.924 -10.099 1.00 0.00 H new ATOM 678 N LYS A 47 -3.803 -4.183 -7.914 1.00 0.00 N ATOM 679 CA LYS A 47 -2.845 -4.329 -9.003 1.00 0.00 C ATOM 680 C LYS A 47 -2.397 -5.781 -9.140 1.00 0.00 C ATOM 681 O LYS A 47 -2.289 -6.305 -10.249 1.00 0.00 O ATOM 682 CB LYS A 47 -1.632 -3.429 -8.767 1.00 0.00 C ATOM 683 CG LYS A 47 -0.735 -3.285 -9.985 1.00 0.00 C ATOM 684 CD LYS A 47 -1.137 -2.091 -10.836 1.00 0.00 C ATOM 685 CE LYS A 47 -0.287 -1.991 -12.092 1.00 0.00 C ATOM 686 NZ LYS A 47 1.170 -2.009 -11.780 1.00 0.00 N ATOM 0 H LYS A 47 -3.466 -3.625 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.336 -4.029 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.977 -2.441 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.046 -3.832 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.301 -3.172 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.785 -4.194 -10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.188 -2.177 -11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.035 -1.176 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.526 -2.820 -12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.533 -1.072 -12.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.638 -1.217 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.306 -1.917 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.584 -2.906 -12.105 1.00 0.00 H new ATOM 700 N HIS A 48 -2.136 -6.425 -8.007 1.00 0.00 N ATOM 701 CA HIS A 48 -1.701 -7.817 -8.002 1.00 0.00 C ATOM 702 C HIS A 48 -2.895 -8.760 -8.113 1.00 0.00 C ATOM 703 O HIS A 48 -2.945 -9.611 -9.002 1.00 0.00 O ATOM 704 CB HIS A 48 -0.913 -8.122 -6.727 1.00 0.00 C ATOM 705 CG HIS A 48 -0.008 -7.007 -6.301 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.093 -6.350 -5.121 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.934 -6.442 -7.134 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.085 -5.412 -5.262 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.577 -5.487 -6.485 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.218 -6.005 -7.081 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.055 -7.973 -8.866 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.613 -8.339 -5.920 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.318 -9.022 -6.884 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.464 -6.520 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.118 -6.734 -8.157 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.411 -4.724 -4.496 1.00 0.00 H new ATOM 718 N ARG A 49 -3.853 -8.603 -7.207 1.00 0.00 N ATOM 719 CA ARG A 49 -5.047 -9.443 -7.203 1.00 0.00 C ATOM 720 C ARG A 49 -6.311 -8.590 -7.213 1.00 0.00 C ATOM 721 O ARG A 49 -6.873 -8.257 -6.168 1.00 0.00 O ATOM 722 CB ARG A 49 -5.046 -10.360 -5.979 1.00 0.00 C ATOM 723 CG ARG A 49 -3.756 -11.144 -5.806 1.00 0.00 C ATOM 724 CD ARG A 49 -3.657 -12.283 -6.810 1.00 0.00 C ATOM 725 NE ARG A 49 -4.753 -13.236 -6.666 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.715 -14.477 -7.140 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.640 -14.912 -7.783 1.00 0.00 N ATOM 728 NH2 ARG A 49 -5.752 -15.286 -6.969 1.00 0.00 N ATOM 0 H ARG A 49 -3.827 -7.903 -6.466 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.035 -10.054 -8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.219 -9.760 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.878 -11.059 -6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.904 -10.476 -5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.705 -11.545 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.661 -11.876 -7.821 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.707 -12.801 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.594 -12.933 -6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.840 -14.294 -7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.614 -15.865 -8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.580 -14.956 -6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.721 -16.238 -7.333 1.00 0.00 H new ATOM 742 N PRO A 50 -6.770 -8.225 -8.419 1.00 0.00 N ATOM 743 CA PRO A 50 -7.974 -7.407 -8.594 1.00 0.00 C ATOM 744 C PRO A 50 -9.247 -8.162 -8.228 1.00 0.00 C ATOM 745 O PRO A 50 -10.353 -7.640 -8.371 1.00 0.00 O ATOM 746 CB PRO A 50 -7.961 -7.071 -10.087 1.00 0.00 C ATOM 747 CG PRO A 50 -7.185 -8.177 -10.717 1.00 0.00 C ATOM 748 CD PRO A 50 -6.151 -8.586 -9.706 1.00 0.00 C ATOM 0 HA PRO A 50 -7.969 -6.530 -7.946 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.972 -7.018 -10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.493 -6.104 -10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.835 -9.014 -10.971 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.715 -7.846 -11.643 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.934 -9.653 -9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.209 -8.060 -9.860 1.00 0.00 H new ATOM 756 N ASP A 51 -9.084 -9.393 -7.756 1.00 0.00 N ATOM 757 CA ASP A 51 -10.222 -10.219 -7.368 1.00 0.00 C ATOM 758 C ASP A 51 -10.567 -10.012 -5.896 1.00 0.00 C ATOM 759 O ASP A 51 -11.739 -9.909 -5.532 1.00 0.00 O ATOM 760 CB ASP A 51 -9.918 -11.696 -7.630 1.00 0.00 C ATOM 761 CG ASP A 51 -9.873 -12.022 -9.110 1.00 0.00 C ATOM 762 OD1 ASP A 51 -10.917 -11.887 -9.781 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.791 -12.414 -9.597 1.00 0.00 O ATOM 0 H ASP A 51 -8.176 -9.841 -7.633 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.080 -9.919 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.962 -11.954 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.677 -12.312 -7.148 1.00 0.00 H new ATOM 768 N LEU A 52 -9.541 -9.954 -5.055 1.00 0.00 N ATOM 769 CA LEU A 52 -9.735 -9.760 -3.623 1.00 0.00 C ATOM 770 C LEU A 52 -10.786 -8.687 -3.356 1.00 0.00 C ATOM 771 O LEU A 52 -11.813 -8.950 -2.731 1.00 0.00 O ATOM 772 CB LEU A 52 -8.414 -9.374 -2.956 1.00 0.00 C ATOM 773 CG LEU A 52 -7.259 -10.361 -3.131 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.048 -9.913 -2.327 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.689 -11.762 -2.717 1.00 0.00 C ATOM 0 H LEU A 52 -8.565 -10.039 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.087 -10.700 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.101 -8.407 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.594 -9.242 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.981 -10.384 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.236 -10.627 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.727 -8.929 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.312 -9.861 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.855 -12.452 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.993 -11.755 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.527 -12.083 -3.336 1.00 0.00 H new ATOM 787 N LEU A 53 -10.522 -7.476 -3.836 1.00 0.00 N ATOM 788 CA LEU A 53 -11.446 -6.362 -3.652 1.00 0.00 C ATOM 789 C LEU A 53 -11.923 -5.823 -4.997 1.00 0.00 C ATOM 790 O LEU A 53 -11.508 -6.302 -6.052 1.00 0.00 O ATOM 791 CB LEU A 53 -10.775 -5.246 -2.851 1.00 0.00 C ATOM 792 CG LEU A 53 -9.584 -4.560 -3.521 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.237 -3.267 -2.801 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.382 -5.493 -3.556 1.00 0.00 C ATOM 0 H LEU A 53 -9.676 -7.241 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.312 -6.727 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.525 -4.488 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.442 -5.659 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.860 -4.316 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.387 -2.794 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.094 -2.594 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.981 -3.485 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.544 -4.988 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.105 -5.768 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.635 -6.392 -4.119 1.00 0.00 H new ATOM 806 N ASP A 54 -12.796 -4.822 -4.951 1.00 0.00 N ATOM 807 CA ASP A 54 -13.327 -4.215 -6.165 1.00 0.00 C ATOM 808 C ASP A 54 -13.095 -2.707 -6.166 1.00 0.00 C ATOM 809 O ASP A 54 -14.013 -1.927 -5.908 1.00 0.00 O ATOM 810 CB ASP A 54 -14.821 -4.514 -6.299 1.00 0.00 C ATOM 811 CG ASP A 54 -15.511 -4.626 -4.954 1.00 0.00 C ATOM 812 OD1 ASP A 54 -15.147 -3.863 -4.035 1.00 0.00 O ATOM 813 OD2 ASP A 54 -16.417 -5.476 -4.820 1.00 0.00 O ATOM 0 H ASP A 54 -13.150 -4.414 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.800 -4.646 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.296 -3.726 -6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.954 -5.444 -6.851 1.00 0.00 H new ATOM 818 N PHE A 55 -11.863 -2.302 -6.454 1.00 0.00 N ATOM 819 CA PHE A 55 -11.510 -0.888 -6.485 1.00 0.00 C ATOM 820 C PHE A 55 -12.593 -0.072 -7.184 1.00 0.00 C ATOM 821 O PHE A 55 -13.030 0.961 -6.679 1.00 0.00 O ATOM 822 CB PHE A 55 -10.168 -0.691 -7.194 1.00 0.00 C ATOM 823 CG PHE A 55 -9.421 0.528 -6.734 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.831 0.563 -5.481 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.309 1.639 -7.555 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.141 1.682 -5.055 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.621 2.761 -7.134 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.037 2.783 -5.883 1.00 0.00 C ATOM 0 H PHE A 55 -11.092 -2.934 -6.669 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.424 -0.538 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.547 -1.572 -7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.341 -0.618 -8.268 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.911 -0.294 -4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.764 1.628 -8.534 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.684 1.696 -4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.540 3.620 -7.783 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.500 3.660 -5.552 1.00 0.00 H new ATOM 838 N GLU A 56 -13.020 -0.545 -8.352 1.00 0.00 N ATOM 839 CA GLU A 56 -14.051 0.141 -9.121 1.00 0.00 C ATOM 840 C GLU A 56 -15.288 0.401 -8.265 1.00 0.00 C ATOM 841 O GLU A 56 -15.964 1.417 -8.423 1.00 0.00 O ATOM 842 CB GLU A 56 -14.433 -0.682 -10.353 1.00 0.00 C ATOM 843 CG GLU A 56 -13.273 -0.927 -11.304 1.00 0.00 C ATOM 844 CD GLU A 56 -13.728 -1.435 -12.659 1.00 0.00 C ATOM 845 OE1 GLU A 56 -14.519 -2.401 -12.694 1.00 0.00 O ATOM 846 OE2 GLU A 56 -13.293 -0.868 -13.682 1.00 0.00 O ATOM 0 H GLU A 56 -12.668 -1.399 -8.785 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.647 1.100 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.835 -1.642 -10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.230 -0.168 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.714 -0.000 -11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.590 -1.651 -10.859 1.00 0.00 H new ATOM 853 N SER A 57 -15.578 -0.528 -7.359 1.00 0.00 N ATOM 854 CA SER A 57 -16.735 -0.403 -6.481 1.00 0.00 C ATOM 855 C SER A 57 -16.473 0.618 -5.378 1.00 0.00 C ATOM 856 O SER A 57 -17.334 1.441 -5.061 1.00 0.00 O ATOM 857 CB SER A 57 -17.081 -1.760 -5.863 1.00 0.00 C ATOM 858 OG SER A 57 -18.357 -1.729 -5.247 1.00 0.00 O ATOM 0 H SER A 57 -15.028 -1.375 -7.214 1.00 0.00 H new ATOM 0 HA SER A 57 -17.578 -0.057 -7.079 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.065 -2.529 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.325 -2.031 -5.127 1.00 0.00 H new ATOM 0 HG SER A 57 -18.555 -2.608 -4.861 1.00 0.00 H new ATOM 864 N LEU A 58 -15.280 0.560 -4.797 1.00 0.00 N ATOM 865 CA LEU A 58 -14.903 1.480 -3.730 1.00 0.00 C ATOM 866 C LEU A 58 -15.069 2.929 -4.177 1.00 0.00 C ATOM 867 O LEU A 58 -14.982 3.239 -5.364 1.00 0.00 O ATOM 868 CB LEU A 58 -13.456 1.228 -3.301 1.00 0.00 C ATOM 869 CG LEU A 58 -13.114 -0.208 -2.907 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.627 -0.340 -2.611 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.938 -0.643 -1.704 1.00 0.00 C ATOM 0 H LEU A 58 -14.557 -0.115 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.563 1.304 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.799 1.526 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.230 1.879 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.358 -0.861 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.402 -1.369 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.054 -0.071 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.359 0.325 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.681 -1.668 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.726 0.015 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.998 -0.587 -1.950 1.00 0.00 H new ATOM 883 N LYS A 59 -15.306 3.815 -3.214 1.00 0.00 N ATOM 884 CA LYS A 59 -15.480 5.233 -3.506 1.00 0.00 C ATOM 885 C LYS A 59 -14.771 6.094 -2.467 1.00 0.00 C ATOM 886 O LYS A 59 -14.534 5.657 -1.340 1.00 0.00 O ATOM 887 CB LYS A 59 -16.969 5.587 -3.546 1.00 0.00 C ATOM 888 CG LYS A 59 -17.243 7.012 -3.993 1.00 0.00 C ATOM 889 CD LYS A 59 -17.011 7.183 -5.486 1.00 0.00 C ATOM 890 CE LYS A 59 -18.278 6.908 -6.281 1.00 0.00 C ATOM 891 NZ LYS A 59 -18.694 5.481 -6.184 1.00 0.00 N ATOM 0 H LYS A 59 -15.382 3.576 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.038 5.434 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.479 4.899 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.396 5.438 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.272 7.279 -3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.598 7.697 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.666 8.197 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -16.221 6.507 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.082 7.547 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -18.115 7.169 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -19.369 5.264 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -17.859 4.869 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -19.145 5.313 -5.262 1.00 0.00 H new ATOM 905 N LYS A 60 -14.433 7.320 -2.851 1.00 0.00 N ATOM 906 CA LYS A 60 -13.752 8.244 -1.951 1.00 0.00 C ATOM 907 C LYS A 60 -14.560 8.455 -0.674 1.00 0.00 C ATOM 908 O LYS A 60 -13.996 8.617 0.408 1.00 0.00 O ATOM 909 CB LYS A 60 -13.519 9.587 -2.647 1.00 0.00 C ATOM 910 CG LYS A 60 -12.735 9.473 -3.943 1.00 0.00 C ATOM 911 CD LYS A 60 -12.282 10.834 -4.442 1.00 0.00 C ATOM 912 CE LYS A 60 -11.006 11.286 -3.749 1.00 0.00 C ATOM 913 NZ LYS A 60 -9.790 10.761 -4.430 1.00 0.00 N ATOM 0 H LYS A 60 -14.620 7.697 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.790 7.808 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.483 10.051 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.986 10.251 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.866 8.833 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.353 8.993 -4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.117 10.791 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.070 11.567 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.970 12.375 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.016 10.949 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.947 11.005 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.860 9.727 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.713 11.184 -5.377 1.00 0.00 H new ATOM 927 N CYS A 61 -15.881 8.450 -0.808 1.00 0.00 N ATOM 928 CA CYS A 61 -16.766 8.640 0.335 1.00 0.00 C ATOM 929 C CYS A 61 -16.494 7.596 1.412 1.00 0.00 C ATOM 930 O CYS A 61 -16.679 7.853 2.601 1.00 0.00 O ATOM 931 CB CYS A 61 -18.228 8.566 -0.106 1.00 0.00 C ATOM 932 SG CYS A 61 -18.914 6.893 -0.112 1.00 0.00 S ATOM 0 H CYS A 61 -16.363 8.316 -1.697 1.00 0.00 H new ATOM 0 HA CYS A 61 -16.571 9.627 0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.828 9.191 0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.316 8.987 -1.108 1.00 0.00 H new ATOM 0 HG CYS A 61 -20.155 6.934 -0.497 1.00 0.00 H new ATOM 938 N ASN A 62 -16.056 6.415 0.988 1.00 0.00 N ATOM 939 CA ASN A 62 -15.761 5.330 1.916 1.00 0.00 C ATOM 940 C ASN A 62 -14.271 5.285 2.244 1.00 0.00 C ATOM 941 O ASN A 62 -13.553 4.392 1.796 1.00 0.00 O ATOM 942 CB ASN A 62 -16.205 3.990 1.325 1.00 0.00 C ATOM 943 CG ASN A 62 -17.634 3.641 1.693 1.00 0.00 C ATOM 944 OD1 ASN A 62 -18.450 3.325 0.827 1.00 0.00 O ATOM 945 ND2 ASN A 62 -17.943 3.696 2.983 1.00 0.00 N ATOM 0 H ASN A 62 -15.898 6.185 0.007 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.313 5.514 2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.111 4.026 0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.539 3.202 1.677 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.889 3.471 3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.234 3.963 3.666 1.00 0.00 H new ATOM 952 N ALA A 63 -13.814 6.255 3.030 1.00 0.00 N ATOM 953 CA ALA A 63 -12.413 6.325 3.421 1.00 0.00 C ATOM 954 C ALA A 63 -12.080 5.266 4.466 1.00 0.00 C ATOM 955 O ALA A 63 -11.250 4.387 4.232 1.00 0.00 O ATOM 956 CB ALA A 63 -12.080 7.713 3.949 1.00 0.00 C ATOM 0 H ALA A 63 -14.395 7.003 3.408 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.806 6.129 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.029 7.750 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.269 8.453 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.702 7.931 4.817 1.00 0.00 H new ATOM 962 N HIS A 64 -12.733 5.356 5.621 1.00 0.00 N ATOM 963 CA HIS A 64 -12.506 4.405 6.703 1.00 0.00 C ATOM 964 C HIS A 64 -12.784 2.978 6.239 1.00 0.00 C ATOM 965 O HIS A 64 -11.994 2.068 6.494 1.00 0.00 O ATOM 966 CB HIS A 64 -13.392 4.745 7.903 1.00 0.00 C ATOM 967 CG HIS A 64 -13.075 3.941 9.127 1.00 0.00 C ATOM 968 ND1 HIS A 64 -11.942 4.142 9.887 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.753 2.933 9.724 1.00 0.00 C ATOM 970 CE1 HIS A 64 -11.934 3.291 10.897 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.023 2.546 10.821 1.00 0.00 N ATOM 0 H HIS A 64 -13.423 6.077 5.831 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.460 4.474 7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.284 5.804 8.136 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.435 4.583 7.632 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -11.222 4.839 9.698 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.693 2.512 9.398 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.169 3.217 11.655 1.00 0.00 H new ATOM 980 N TYR A 65 -13.910 2.790 5.560 1.00 0.00 N ATOM 981 CA TYR A 65 -14.292 1.474 5.063 1.00 0.00 C ATOM 982 C TYR A 65 -13.247 0.933 4.092 1.00 0.00 C ATOM 983 O TYR A 65 -12.895 -0.245 4.134 1.00 0.00 O ATOM 984 CB TYR A 65 -15.657 1.542 4.376 1.00 0.00 C ATOM 985 CG TYR A 65 -16.083 0.235 3.747 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.488 -0.223 2.578 1.00 0.00 C ATOM 987 CD2 TYR A 65 -17.081 -0.543 4.322 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.876 -1.416 1.999 1.00 0.00 C ATOM 989 CE2 TYR A 65 -17.473 -1.738 3.751 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.869 -2.169 2.589 1.00 0.00 C ATOM 991 OH TYR A 65 -17.257 -3.359 2.016 1.00 0.00 O ATOM 0 H TYR A 65 -14.574 3.533 5.341 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.355 0.796 5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.407 1.846 5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.629 2.314 3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.709 0.364 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.558 -0.207 5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.404 -1.757 1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.248 -2.332 4.212 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.966 -3.766 2.556 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.756 1.804 3.217 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.751 1.416 2.233 1.00 0.00 C ATOM 1003 C ASN A 66 -10.435 1.052 2.915 1.00 0.00 C ATOM 1004 O ASN A 66 -9.749 0.115 2.504 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.523 2.549 1.231 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.630 2.640 0.200 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.588 1.867 0.231 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.504 3.588 -0.721 1.00 0.00 N ATOM 0 H ASN A 66 -13.037 2.783 3.169 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.119 0.539 1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.451 3.495 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.570 2.396 0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.218 3.698 -1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.693 4.207 -0.709 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.090 1.797 3.958 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.857 1.554 4.698 1.00 0.00 C ATOM 1017 C LEU A 67 -8.858 0.159 5.315 1.00 0.00 C ATOM 1018 O LEU A 67 -8.062 -0.699 4.935 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.678 2.608 5.793 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.114 3.956 5.340 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.411 5.031 6.374 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.617 3.850 5.091 1.00 0.00 C ATOM 0 H LEU A 67 -10.647 2.575 4.311 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.024 1.622 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.645 2.781 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.019 2.199 6.559 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.598 4.237 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.003 5.984 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.489 5.124 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.954 4.757 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.232 4.818 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.116 3.547 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.429 3.109 4.314 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.759 -0.059 6.268 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.865 -1.351 6.936 1.00 0.00 C ATOM 1036 C GLN A 68 -9.909 -2.487 5.921 1.00 0.00 C ATOM 1037 O GLN A 68 -9.372 -3.568 6.161 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.115 -1.392 7.818 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.415 -1.368 7.032 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.598 -0.928 7.872 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.448 -0.153 8.817 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.783 -1.421 7.531 1.00 0.00 N ATOM 0 H GLN A 68 -10.425 0.641 6.594 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.982 -1.481 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.087 -2.293 8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.097 -0.542 8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.308 -0.695 6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.610 -2.362 6.629 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.861 -2.061 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.615 -1.160 8.060 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.552 -2.236 4.785 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.666 -3.239 3.732 1.00 0.00 C ATOM 1053 C ASN A 69 -9.291 -3.761 3.327 1.00 0.00 C ATOM 1054 O ASN A 69 -9.040 -4.966 3.355 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.380 -2.651 2.514 1.00 0.00 C ATOM 1056 CG ASN A 69 -11.975 -3.722 1.620 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.897 -4.435 2.016 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.447 -3.839 0.407 1.00 0.00 N ATOM 0 H ASN A 69 -11.002 -1.346 4.570 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.251 -4.072 4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.171 -1.980 2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.676 -2.051 1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.805 -4.542 -0.239 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.683 -3.226 0.122 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.404 -2.846 2.952 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.054 -3.213 2.542 1.00 0.00 C ATOM 1067 C ALA A 70 -6.258 -3.774 3.717 1.00 0.00 C ATOM 1068 O ALA A 70 -5.653 -4.841 3.617 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.339 -2.011 1.944 1.00 0.00 C ATOM 0 H ALA A 70 -8.596 -1.845 2.924 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.130 -3.991 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.332 -2.300 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.891 -1.655 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.281 -1.215 2.687 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.264 -3.047 4.830 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.540 -3.472 6.023 1.00 0.00 C ATOM 1077 C PHE A 71 -5.891 -4.911 6.388 1.00 0.00 C ATOM 1078 O PHE A 71 -5.015 -5.710 6.717 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.861 -2.543 7.197 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.299 -1.159 7.036 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -3.997 -0.972 6.605 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.076 -0.046 7.317 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.477 0.301 6.458 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.562 1.229 7.172 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.262 1.402 6.740 1.00 0.00 C ATOM 0 H PHE A 71 -6.761 -2.162 4.931 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.473 -3.420 5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.943 -2.476 7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.469 -2.981 8.115 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.380 -1.830 6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.094 -0.176 7.653 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.459 0.434 6.123 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.176 2.089 7.396 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.859 2.397 6.623 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.179 -5.234 6.327 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.647 -6.576 6.653 1.00 0.00 C ATOM 1097 C ASN A 72 -7.280 -7.562 5.548 1.00 0.00 C ATOM 1098 O ASN A 72 -6.544 -8.524 5.778 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.162 -6.573 6.865 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.575 -5.734 8.059 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -8.964 -5.806 9.125 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -10.620 -4.932 7.885 1.00 0.00 N ATOM 0 H ASN A 72 -7.917 -4.585 6.055 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.158 -6.891 7.575 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.651 -6.191 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.509 -7.597 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.945 -4.344 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.097 -4.904 6.984 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.795 -7.318 4.349 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.521 -8.183 3.207 1.00 0.00 C ATOM 1111 C LEU A 73 -6.057 -8.609 3.185 1.00 0.00 C ATOM 1112 O LEU A 73 -5.748 -9.798 3.104 1.00 0.00 O ATOM 1113 CB LEU A 73 -7.875 -7.467 1.902 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.308 -7.654 1.400 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.579 -6.749 0.210 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.559 -9.110 1.034 1.00 0.00 C ATOM 0 H LEU A 73 -8.405 -6.527 4.142 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.139 -9.076 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.695 -6.400 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.192 -7.811 1.126 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.993 -7.379 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.603 -6.896 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.441 -5.709 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.888 -6.992 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.583 -9.225 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.867 -9.412 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.407 -9.737 1.912 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.160 -7.632 3.261 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.729 -7.906 3.255 1.00 0.00 C ATOM 1130 C ALA A 74 -3.339 -8.812 4.417 1.00 0.00 C ATOM 1131 O ALA A 74 -2.492 -9.694 4.270 1.00 0.00 O ATOM 1132 CB ALA A 74 -2.942 -6.604 3.311 1.00 0.00 C ATOM 0 H ALA A 74 -5.399 -6.643 3.328 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.487 -8.424 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.874 -6.824 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.190 -5.991 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.197 -6.064 4.223 1.00 0.00 H new ATOM 1138 N GLU A 75 -3.961 -8.591 5.570 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.676 -9.388 6.757 1.00 0.00 C ATOM 1140 C GLU A 75 -4.225 -10.803 6.607 1.00 0.00 C ATOM 1141 O GLU A 75 -3.780 -11.729 7.284 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.275 -8.725 7.999 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.119 -9.551 9.265 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.273 -10.511 9.480 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.399 -10.036 9.735 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.050 -11.737 9.395 1.00 0.00 O ATOM 0 H GLU A 75 -4.666 -7.867 5.708 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.594 -9.448 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.800 -7.755 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.335 -8.538 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.187 -10.114 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.042 -8.883 10.123 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.196 -10.963 5.714 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.809 -12.264 5.472 1.00 0.00 C ATOM 1155 C LYS A 76 -5.181 -12.943 4.259 1.00 0.00 C ATOM 1156 O LYS A 76 -4.492 -13.954 4.390 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.316 -12.110 5.261 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.035 -13.427 5.028 1.00 0.00 C ATOM 1159 CD LYS A 76 -9.540 -13.274 5.173 1.00 0.00 C ATOM 1160 CE LYS A 76 -10.163 -12.684 3.918 1.00 0.00 C ATOM 1161 NZ LYS A 76 -11.650 -12.769 3.944 1.00 0.00 N ATOM 0 H LYS A 76 -5.576 -10.206 5.145 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.634 -12.889 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.748 -11.619 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.490 -11.455 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.801 -13.799 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.674 -14.170 5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.987 -14.246 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.761 -12.633 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.861 -11.642 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.784 -13.211 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.037 -12.356 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.940 -13.765 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.013 -12.245 4.765 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.423 -12.379 3.079 1.00 0.00 N ATOM 1176 CA GLU A 77 -4.881 -12.931 1.844 1.00 0.00 C ATOM 1177 C GLU A 77 -3.360 -13.039 1.917 1.00 0.00 C ATOM 1178 O GLU A 77 -2.808 -14.137 2.004 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.284 -12.062 0.650 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.786 -11.895 0.499 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.517 -13.222 0.429 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -7.503 -13.850 -0.650 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.102 -13.632 1.453 1.00 0.00 O ATOM 0 H GLU A 77 -5.991 -11.541 2.953 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.294 -13.931 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.826 -11.078 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.882 -12.504 -0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.170 -11.317 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.995 -11.321 -0.404 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.689 -11.893 1.883 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.232 -11.858 1.945 1.00 0.00 C ATOM 1192 C LEU A 78 -0.728 -12.480 3.243 1.00 0.00 C ATOM 1193 O LEU A 78 0.201 -13.286 3.236 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.732 -10.417 1.828 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.361 -9.576 0.717 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.009 -8.108 0.894 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -0.911 -10.074 -0.649 1.00 0.00 C ATOM 0 H LEU A 78 -3.130 -10.976 1.813 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.842 -12.440 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.907 -9.915 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.347 -10.439 1.673 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.444 -9.678 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.466 -7.525 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.382 -7.758 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.074 -7.987 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.369 -9.464 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.174 -10.003 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.216 -11.113 -0.776 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.348 -12.100 4.356 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.950 -12.632 5.646 1.00 0.00 C ATOM 1211 C GLY A 79 0.003 -11.711 6.383 1.00 0.00 C ATOM 1212 O GLY A 79 0.916 -12.171 7.071 1.00 0.00 O ATOM 0 H GLY A 79 -2.119 -11.433 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.837 -12.797 6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.476 -13.603 5.505 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.208 -10.408 6.240 1.00 0.00 N ATOM 1217 CA LEU A 80 0.641 -9.419 6.897 1.00 0.00 C ATOM 1218 C LEU A 80 0.046 -8.996 8.236 1.00 0.00 C ATOM 1219 O LEU A 80 -1.144 -9.185 8.488 1.00 0.00 O ATOM 1220 CB LEU A 80 0.823 -8.196 5.996 1.00 0.00 C ATOM 1221 CG LEU A 80 1.461 -8.456 4.632 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.181 -7.302 3.682 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.961 -8.677 4.778 1.00 0.00 C ATOM 0 H LEU A 80 -0.959 -10.011 5.675 1.00 0.00 H new ATOM 0 HA LEU A 80 1.614 -9.874 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.154 -7.739 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.434 -7.466 6.527 1.00 0.00 H new ATOM 0 HG LEU A 80 1.019 -9.360 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.643 -7.505 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.104 -7.190 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.594 -6.382 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.399 -8.861 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.418 -7.791 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.141 -9.537 5.422 1.00 0.00 H new ATOM 1235 N THR A 81 0.882 -8.417 9.093 1.00 0.00 N ATOM 1236 CA THR A 81 0.440 -7.966 10.406 1.00 0.00 C ATOM 1237 C THR A 81 0.070 -6.487 10.382 1.00 0.00 C ATOM 1238 O THR A 81 0.931 -5.624 10.208 1.00 0.00 O ATOM 1239 CB THR A 81 1.525 -8.195 11.474 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.792 -9.596 11.609 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.093 -7.625 12.817 1.00 0.00 C ATOM 0 H THR A 81 1.870 -8.250 8.900 1.00 0.00 H new ATOM 0 HA THR A 81 -0.441 -8.555 10.663 1.00 0.00 H new ATOM 0 HB THR A 81 2.432 -7.681 11.154 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.484 -9.733 12.289 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.876 -7.799 13.555 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.919 -6.553 12.718 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.174 -8.113 13.141 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.214 -6.199 10.560 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.698 -4.824 10.562 1.00 0.00 C ATOM 1251 C LYS A 82 -0.959 -3.989 11.601 1.00 0.00 C ATOM 1252 O LYS A 82 -1.115 -4.197 12.805 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.202 -4.792 10.841 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.056 -4.902 9.590 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.535 -4.979 9.929 1.00 0.00 C ATOM 1256 CE LYS A 82 -5.962 -6.405 10.244 1.00 0.00 C ATOM 1257 NZ LYS A 82 -5.531 -6.824 11.607 1.00 0.00 N ATOM 0 H LYS A 82 -1.940 -6.901 10.705 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.508 -4.397 9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.455 -5.609 11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.447 -3.864 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.874 -4.041 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.764 -5.788 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.747 -4.337 10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.121 -4.599 9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.046 -6.485 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.537 -7.083 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.234 -7.477 12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.609 -7.302 11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.449 -5.986 12.218 1.00 0.00 H new ATOM 1271 N LEU A 83 -0.156 -3.041 11.130 1.00 0.00 N ATOM 1272 CA LEU A 83 0.607 -2.172 12.020 1.00 0.00 C ATOM 1273 C LEU A 83 -0.177 -0.905 12.346 1.00 0.00 C ATOM 1274 O LEU A 83 -0.143 -0.415 13.476 1.00 0.00 O ATOM 1275 CB LEU A 83 1.948 -1.806 11.380 1.00 0.00 C ATOM 1276 CG LEU A 83 2.714 -2.953 10.724 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.842 -2.415 9.858 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.257 -3.905 11.780 1.00 0.00 C ATOM 0 H LEU A 83 -0.016 -2.854 10.137 1.00 0.00 H new ATOM 0 HA LEU A 83 0.790 -2.713 12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.771 -1.037 10.628 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.584 -1.362 12.146 1.00 0.00 H new ATOM 0 HG LEU A 83 2.025 -3.506 10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.377 -3.247 9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.429 -1.775 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.531 -1.837 10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.800 -4.716 11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.931 -3.365 12.445 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.430 -4.317 12.358 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.884 -0.380 11.352 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.680 0.830 11.534 1.00 0.00 C ATOM 1292 C LEU A 84 -3.167 0.497 11.608 1.00 0.00 C ATOM 1293 O LEU A 84 -3.556 -0.670 11.551 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.420 1.811 10.390 1.00 0.00 C ATOM 1295 CG LEU A 84 0.038 2.213 10.168 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.192 2.960 8.852 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.539 3.063 11.327 1.00 0.00 C ATOM 0 H LEU A 84 -0.923 -0.773 10.411 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.384 1.293 12.475 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.799 1.371 9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.001 2.715 10.574 1.00 0.00 H new ATOM 0 HG LEU A 84 0.641 1.306 10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.237 3.238 8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.127 2.319 8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.423 3.859 8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.579 3.340 11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.068 3.965 11.406 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.466 2.494 12.254 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.992 1.530 11.732 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.437 1.349 11.810 1.00 0.00 C ATOM 1311 C ASP A 85 -6.155 2.273 10.832 1.00 0.00 C ATOM 1312 O ASP A 85 -5.646 3.327 10.449 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.929 1.612 13.234 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.552 0.499 14.193 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -5.912 -0.665 13.920 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -4.897 0.793 15.214 1.00 0.00 O ATOM 0 H ASP A 85 -3.685 2.502 11.781 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.664 0.318 11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.511 2.553 13.592 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.013 1.728 13.225 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.365 1.871 10.416 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.177 2.649 9.476 1.00 0.00 C ATOM 1323 C PRO A 86 -8.710 3.935 10.097 1.00 0.00 C ATOM 1324 O PRO A 86 -9.407 4.709 9.442 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.330 1.701 9.135 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.434 0.793 10.312 1.00 0.00 C ATOM 1327 CD PRO A 86 -8.032 0.626 10.830 1.00 0.00 C ATOM 0 HA PRO A 86 -7.601 2.971 8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.259 2.249 8.974 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.127 1.143 8.221 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.085 1.218 11.076 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.862 -0.168 10.027 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.016 0.502 11.913 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.547 -0.251 10.402 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.379 4.157 11.366 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.825 5.350 12.074 1.00 0.00 C ATOM 1337 C GLU A 87 -7.647 6.263 12.398 1.00 0.00 C ATOM 1338 O GLU A 87 -7.791 7.485 12.450 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.553 4.962 13.363 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.715 4.110 14.302 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.377 3.908 15.652 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -10.537 3.449 15.681 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -8.733 4.208 16.679 1.00 0.00 O ATOM 0 H GLU A 87 -7.804 3.526 11.924 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.513 5.891 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.859 5.869 13.885 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.463 4.419 13.107 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.533 3.139 13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.743 4.582 14.445 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.482 5.663 12.615 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.278 6.420 12.933 1.00 0.00 C ATOM 1352 C ASP A 88 -4.706 7.083 11.683 1.00 0.00 C ATOM 1353 O ASP A 88 -4.277 8.236 11.720 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.228 5.508 13.568 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.484 5.269 15.043 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -5.083 6.152 15.692 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -4.086 4.199 15.548 1.00 0.00 O ATOM 0 H ASP A 88 -6.346 4.653 12.576 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.547 7.200 13.645 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.217 4.552 13.045 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.241 5.952 13.441 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.702 6.344 10.578 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.184 6.858 9.316 1.00 0.00 C ATOM 1364 C VAL A 89 -5.059 7.986 8.781 1.00 0.00 C ATOM 1365 O VAL A 89 -4.561 9.042 8.393 1.00 0.00 O ATOM 1366 CB VAL A 89 -4.089 5.748 8.253 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.600 6.316 6.930 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -3.177 4.629 8.732 1.00 0.00 C ATOM 0 H VAL A 89 -5.052 5.387 10.532 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.184 7.242 9.518 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.084 5.333 8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.539 5.517 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.296 7.079 6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.614 6.759 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.121 3.853 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.180 5.027 8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.576 4.204 9.653 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.367 7.754 8.764 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.314 8.751 8.275 1.00 0.00 C ATOM 1380 C ASN A 90 -7.245 10.024 9.114 1.00 0.00 C ATOM 1381 O ASN A 90 -7.959 10.164 10.108 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.737 8.188 8.298 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.665 8.924 7.352 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.220 9.556 6.395 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.964 8.845 7.618 1.00 0.00 N ATOM 0 H ASN A 90 -6.796 6.885 9.083 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.045 8.999 7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.711 7.132 8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.133 8.249 9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.637 9.320 7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.288 8.309 8.423 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.382 10.949 8.707 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.221 12.210 9.419 1.00 0.00 C ATOM 1394 C VAL A 91 -5.617 13.279 8.514 1.00 0.00 C ATOM 1395 O VAL A 91 -4.890 12.969 7.570 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.329 12.042 10.663 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.888 11.774 10.255 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.420 13.272 11.553 1.00 0.00 C ATOM 0 H VAL A 91 -5.783 10.848 7.887 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.216 12.525 9.734 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.686 11.183 11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.273 11.658 11.147 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.842 10.861 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.516 12.611 9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.784 13.136 12.427 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.090 14.149 10.996 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.452 13.413 11.874 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.923 14.537 8.809 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.409 15.653 8.023 1.00 0.00 C ATOM 1410 C ASP A 92 -3.942 15.436 7.666 1.00 0.00 C ATOM 1411 O ASP A 92 -3.568 15.465 6.494 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.570 16.965 8.793 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.932 17.595 8.583 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.913 16.844 8.394 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.019 18.841 8.608 1.00 0.00 O ATOM 0 H ASP A 92 -6.524 14.810 9.586 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.985 15.710 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.418 16.780 9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.796 17.665 8.478 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.116 15.219 8.685 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.689 14.999 8.477 1.00 0.00 C ATOM 1422 C GLN A 93 -1.192 13.825 9.315 1.00 0.00 C ATOM 1423 O GLN A 93 -0.772 13.984 10.462 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.900 16.262 8.828 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.077 17.388 7.823 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.336 18.648 8.222 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.614 19.062 7.556 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -0.767 19.269 9.315 1.00 0.00 N ATOM 0 H GLN A 93 -3.410 15.191 9.661 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.533 14.763 7.424 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.210 16.613 9.812 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.159 16.012 8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.724 17.057 6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.138 17.613 7.718 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.558 18.892 9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.307 20.123 9.631 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.238 12.619 8.731 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.796 11.395 9.406 1.00 0.00 C ATOM 1439 C PRO A 94 0.716 11.352 9.597 1.00 0.00 C ATOM 1440 O PRO A 94 1.406 12.350 9.388 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.247 10.283 8.454 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.312 10.933 7.116 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.726 12.357 7.366 1.00 0.00 C ATOM 0 HA PRO A 94 -1.211 11.310 10.410 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.543 9.451 8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.217 9.881 8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.345 10.890 6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.029 10.426 6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.280 13.038 6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.807 12.480 7.295 1.00 0.00 H new ATOM 1451 N ASP A 95 1.224 10.192 9.995 1.00 0.00 N ATOM 1452 CA ASP A 95 2.656 10.019 10.212 1.00 0.00 C ATOM 1453 C ASP A 95 3.308 9.327 9.018 1.00 0.00 C ATOM 1454 O ASP A 95 3.423 8.102 8.986 1.00 0.00 O ATOM 1455 CB ASP A 95 2.906 9.209 11.486 1.00 0.00 C ATOM 1456 CG ASP A 95 3.029 10.087 12.715 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.414 11.266 12.567 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.741 9.595 13.826 1.00 0.00 O ATOM 0 H ASP A 95 0.666 9.357 10.174 1.00 0.00 H new ATOM 0 HA ASP A 95 3.103 11.007 10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.090 8.501 11.629 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.818 8.624 11.368 1.00 0.00 H new ATOM 1463 N GLU A 96 3.729 10.121 8.039 1.00 0.00 N ATOM 1464 CA GLU A 96 4.368 9.583 6.843 1.00 0.00 C ATOM 1465 C GLU A 96 5.320 8.445 7.199 1.00 0.00 C ATOM 1466 O GLU A 96 5.399 7.442 6.490 1.00 0.00 O ATOM 1467 CB GLU A 96 5.128 10.687 6.105 1.00 0.00 C ATOM 1468 CG GLU A 96 6.110 11.443 6.983 1.00 0.00 C ATOM 1469 CD GLU A 96 6.287 12.886 6.553 1.00 0.00 C ATOM 1470 OE1 GLU A 96 6.617 13.117 5.371 1.00 0.00 O ATOM 1471 OE2 GLU A 96 6.095 13.784 7.399 1.00 0.00 O ATOM 0 H GLU A 96 3.640 11.137 8.050 1.00 0.00 H new ATOM 0 HA GLU A 96 3.588 9.189 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.668 10.247 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.410 11.393 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.763 11.416 8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.076 10.939 6.958 1.00 0.00 H new ATOM 1478 N LYS A 97 6.042 8.610 8.302 1.00 0.00 N ATOM 1479 CA LYS A 97 6.989 7.597 8.755 1.00 0.00 C ATOM 1480 C LYS A 97 6.261 6.342 9.224 1.00 0.00 C ATOM 1481 O LYS A 97 6.681 5.222 8.929 1.00 0.00 O ATOM 1482 CB LYS A 97 7.856 8.151 9.887 1.00 0.00 C ATOM 1483 CG LYS A 97 9.050 8.956 9.402 1.00 0.00 C ATOM 1484 CD LYS A 97 8.676 10.406 9.145 1.00 0.00 C ATOM 1485 CE LYS A 97 9.518 11.009 8.030 1.00 0.00 C ATOM 1486 NZ LYS A 97 10.828 11.505 8.532 1.00 0.00 N ATOM 0 H LYS A 97 5.990 9.435 8.899 1.00 0.00 H new ATOM 0 HA LYS A 97 7.628 7.330 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.241 8.781 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.212 7.322 10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.847 8.911 10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.442 8.512 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.621 10.469 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.811 10.985 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.686 10.260 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.972 11.831 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.372 11.908 7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.669 12.238 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.360 10.716 8.952 1.00 0.00 H new ATOM 1500 N SER A 98 5.167 6.536 9.955 1.00 0.00 N ATOM 1501 CA SER A 98 4.383 5.418 10.466 1.00 0.00 C ATOM 1502 C SER A 98 3.672 4.688 9.331 1.00 0.00 C ATOM 1503 O SER A 98 3.189 3.569 9.506 1.00 0.00 O ATOM 1504 CB SER A 98 3.358 5.915 11.489 1.00 0.00 C ATOM 1505 OG SER A 98 3.997 6.418 12.649 1.00 0.00 O ATOM 0 H SER A 98 4.804 7.456 10.206 1.00 0.00 H new ATOM 0 HA SER A 98 5.064 4.720 10.952 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.743 6.696 11.042 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.689 5.100 11.763 1.00 0.00 H new ATOM 0 HG SER A 98 3.321 6.730 13.286 1.00 0.00 H new ATOM 1511 N ILE A 99 3.614 5.329 8.169 1.00 0.00 N ATOM 1512 CA ILE A 99 2.964 4.740 7.004 1.00 0.00 C ATOM 1513 C ILE A 99 3.983 4.078 6.083 1.00 0.00 C ATOM 1514 O ILE A 99 3.793 2.942 5.646 1.00 0.00 O ATOM 1515 CB ILE A 99 2.177 5.796 6.205 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.030 6.355 7.050 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.646 5.194 4.913 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.256 7.458 6.362 1.00 0.00 C ATOM 0 H ILE A 99 4.009 6.256 8.009 1.00 0.00 H new ATOM 0 HA ILE A 99 2.270 3.986 7.377 1.00 0.00 H new ATOM 0 HB ILE A 99 2.850 6.615 5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.346 5.544 7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.433 6.735 7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.092 5.952 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.480 4.839 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.985 4.359 5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.541 7.807 7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.927 8.286 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.176 7.077 5.437 1.00 0.00 H new ATOM 1530 N ILE A 100 5.065 4.794 5.794 1.00 0.00 N ATOM 1531 CA ILE A 100 6.115 4.273 4.927 1.00 0.00 C ATOM 1532 C ILE A 100 6.578 2.896 5.390 1.00 0.00 C ATOM 1533 O ILE A 100 6.908 2.033 4.576 1.00 0.00 O ATOM 1534 CB ILE A 100 7.328 5.221 4.880 1.00 0.00 C ATOM 1535 CG1 ILE A 100 6.930 6.564 4.263 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.466 4.587 4.096 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.728 7.733 4.795 1.00 0.00 C ATOM 0 H ILE A 100 5.237 5.735 6.147 1.00 0.00 H new ATOM 0 HA ILE A 100 5.688 4.193 3.927 1.00 0.00 H new ATOM 0 HB ILE A 100 7.671 5.399 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.057 6.510 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.871 6.742 4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.316 5.269 4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.763 3.654 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.136 4.382 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.392 8.652 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.582 7.813 5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.786 7.578 4.583 1.00 0.00 H new ATOM 1549 N THR A 101 6.598 2.696 6.704 1.00 0.00 N ATOM 1550 CA THR A 101 7.020 1.424 7.276 1.00 0.00 C ATOM 1551 C THR A 101 6.050 0.307 6.909 1.00 0.00 C ATOM 1552 O THR A 101 6.464 -0.780 6.503 1.00 0.00 O ATOM 1553 CB THR A 101 7.132 1.506 8.810 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.924 2.639 9.183 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.751 0.238 9.377 1.00 0.00 C ATOM 0 H THR A 101 6.327 3.399 7.392 1.00 0.00 H new ATOM 0 HA THR A 101 8.002 1.201 6.859 1.00 0.00 H new ATOM 0 HB THR A 101 6.128 1.614 9.220 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.397 3.458 9.070 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.819 0.320 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.129 -0.618 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.749 0.102 8.960 1.00 0.00 H new ATOM 1563 N TYR A 102 4.758 0.581 7.052 1.00 0.00 N ATOM 1564 CA TYR A 102 3.729 -0.402 6.736 1.00 0.00 C ATOM 1565 C TYR A 102 3.762 -0.769 5.256 1.00 0.00 C ATOM 1566 O TYR A 102 4.026 -1.916 4.894 1.00 0.00 O ATOM 1567 CB TYR A 102 2.347 0.138 7.108 1.00 0.00 C ATOM 1568 CG TYR A 102 1.218 -0.816 6.790 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.812 -1.030 5.478 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.557 -1.503 7.801 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.219 -1.901 5.183 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.475 -2.376 7.514 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.860 -2.571 6.205 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.887 -3.439 5.915 1.00 0.00 O ATOM 0 H TYR A 102 4.399 1.476 7.385 1.00 0.00 H new ATOM 0 HA TYR A 102 3.930 -1.301 7.319 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.330 0.365 8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.178 1.076 6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.311 -0.507 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.855 -1.352 8.828 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.522 -2.057 4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.978 -2.903 8.312 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.230 -3.829 6.746 1.00 0.00 H new ATOM 1584 N VAL A 103 3.492 0.214 4.402 1.00 0.00 N ATOM 1585 CA VAL A 103 3.492 -0.004 2.961 1.00 0.00 C ATOM 1586 C VAL A 103 4.753 -0.736 2.516 1.00 0.00 C ATOM 1587 O VAL A 103 4.732 -1.499 1.551 1.00 0.00 O ATOM 1588 CB VAL A 103 3.386 1.327 2.193 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.566 2.229 2.520 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.299 1.072 0.696 1.00 0.00 C ATOM 0 H VAL A 103 3.271 1.169 4.684 1.00 0.00 H new ATOM 0 HA VAL A 103 2.620 -0.617 2.733 1.00 0.00 H new ATOM 0 HB VAL A 103 2.474 1.835 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.473 3.164 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.578 2.439 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.494 1.731 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.225 2.023 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.192 0.542 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.418 0.468 0.480 1.00 0.00 H new ATOM 1600 N ALA A 104 5.851 -0.497 3.226 1.00 0.00 N ATOM 1601 CA ALA A 104 7.121 -1.135 2.905 1.00 0.00 C ATOM 1602 C ALA A 104 6.971 -2.651 2.835 1.00 0.00 C ATOM 1603 O ALA A 104 7.656 -3.319 2.058 1.00 0.00 O ATOM 1604 CB ALA A 104 8.177 -0.755 3.933 1.00 0.00 C ATOM 0 H ALA A 104 5.886 0.134 4.027 1.00 0.00 H new ATOM 0 HA ALA A 104 7.440 -0.781 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.121 -1.239 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.312 0.327 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.855 -1.080 4.922 1.00 0.00 H new ATOM 1610 N THR A 105 6.071 -3.192 3.651 1.00 0.00 N ATOM 1611 CA THR A 105 5.832 -4.629 3.682 1.00 0.00 C ATOM 1612 C THR A 105 5.223 -5.114 2.372 1.00 0.00 C ATOM 1613 O THR A 105 5.552 -6.196 1.885 1.00 0.00 O ATOM 1614 CB THR A 105 4.900 -5.019 4.844 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.562 -4.592 4.562 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.372 -4.395 6.149 1.00 0.00 C ATOM 0 H THR A 105 5.495 -2.655 4.300 1.00 0.00 H new ATOM 0 HA THR A 105 6.801 -5.107 3.827 1.00 0.00 H new ATOM 0 HB THR A 105 4.921 -6.104 4.950 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.512 -3.615 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.698 -4.685 6.955 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.380 -4.743 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.377 -3.309 6.052 1.00 0.00 H new ATOM 1624 N TYR A 106 4.332 -4.307 1.804 1.00 0.00 N ATOM 1625 CA TYR A 106 3.675 -4.655 0.550 1.00 0.00 C ATOM 1626 C TYR A 106 4.700 -4.886 -0.556 1.00 0.00 C ATOM 1627 O TYR A 106 4.565 -5.808 -1.360 1.00 0.00 O ATOM 1628 CB TYR A 106 2.701 -3.551 0.137 1.00 0.00 C ATOM 1629 CG TYR A 106 1.367 -3.623 0.845 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.268 -4.138 2.132 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.205 -3.180 0.226 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.052 -4.207 2.782 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.016 -3.243 0.870 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.088 -3.758 2.147 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.302 -3.825 2.791 1.00 0.00 O ATOM 0 H TYR A 106 4.049 -3.408 2.193 1.00 0.00 H new ATOM 0 HA TYR A 106 3.120 -5.580 0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.157 -2.582 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.535 -3.608 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.158 -4.490 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.257 -2.780 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.007 -4.610 3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.909 -2.891 0.376 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.170 -3.690 3.753 1.00 0.00 H new ATOM 1645 N TYR A 107 5.725 -4.042 -0.589 1.00 0.00 N ATOM 1646 CA TYR A 107 6.772 -4.151 -1.597 1.00 0.00 C ATOM 1647 C TYR A 107 7.653 -5.370 -1.337 1.00 0.00 C ATOM 1648 O TYR A 107 7.746 -6.272 -2.171 1.00 0.00 O ATOM 1649 CB TYR A 107 7.628 -2.884 -1.612 1.00 0.00 C ATOM 1650 CG TYR A 107 8.943 -3.049 -2.340 1.00 0.00 C ATOM 1651 CD1 TYR A 107 8.994 -3.071 -3.728 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.135 -3.184 -1.639 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.194 -3.223 -4.396 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.339 -3.335 -2.298 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.364 -3.355 -3.678 1.00 0.00 C ATOM 1656 OH TYR A 107 12.560 -3.505 -4.339 1.00 0.00 O ATOM 0 H TYR A 107 5.853 -3.275 0.071 1.00 0.00 H new ATOM 0 HA TYR A 107 6.294 -4.271 -2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.062 -2.079 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.827 -2.578 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.080 -2.968 -4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.120 -3.171 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.216 -3.238 -5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.256 -3.437 -1.737 1.00 0.00 H new ATOM 0 HH TYR A 107 13.287 -3.584 -3.686 1.00 0.00 H new ATOM 1666 N HIS A 108 8.298 -5.388 -0.176 1.00 0.00 N ATOM 1667 CA HIS A 108 9.171 -6.496 0.197 1.00 0.00 C ATOM 1668 C HIS A 108 8.441 -7.830 0.066 1.00 0.00 C ATOM 1669 O HIS A 108 8.924 -8.751 -0.593 1.00 0.00 O ATOM 1670 CB HIS A 108 9.678 -6.316 1.627 1.00 0.00 C ATOM 1671 CG HIS A 108 10.831 -5.368 1.740 1.00 0.00 C ATOM 1672 ND1 HIS A 108 12.001 -5.519 1.026 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.991 -4.252 2.488 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.830 -4.537 1.330 1.00 0.00 C ATOM 1675 NE2 HIS A 108 12.241 -3.753 2.215 1.00 0.00 N ATOM 0 H HIS A 108 8.233 -4.648 0.523 1.00 0.00 H new ATOM 0 HA HIS A 108 10.023 -6.500 -0.483 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.860 -5.956 2.251 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.977 -7.287 2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.269 -3.832 3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.821 -4.398 0.924 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.648 -2.914 2.628 1.00 0.00 H new ATOM 1684 N TYR A 109 7.278 -7.927 0.701 1.00 0.00 N ATOM 1685 CA TYR A 109 6.485 -9.150 0.659 1.00 0.00 C ATOM 1686 C TYR A 109 6.385 -9.686 -0.766 1.00 0.00 C ATOM 1687 O TYR A 109 6.891 -10.765 -1.073 1.00 0.00 O ATOM 1688 CB TYR A 109 5.084 -8.892 1.218 1.00 0.00 C ATOM 1689 CG TYR A 109 4.126 -10.042 1.004 1.00 0.00 C ATOM 1690 CD1 TYR A 109 4.024 -11.070 1.933 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.321 -10.099 -0.128 1.00 0.00 C ATOM 1692 CE1 TYR A 109 3.151 -12.122 1.741 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.444 -11.147 -0.328 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.363 -12.157 0.608 1.00 0.00 C ATOM 1695 OH TYR A 109 1.489 -13.202 0.414 1.00 0.00 O ATOM 0 H TYR A 109 6.864 -7.174 1.250 1.00 0.00 H new ATOM 0 HA TYR A 109 6.984 -9.898 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.160 -8.687 2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.674 -7.997 0.750 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.638 -11.046 2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.382 -9.310 -0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.085 -12.913 2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.825 -11.176 -1.212 1.00 0.00 H new ATOM 0 HH TYR A 109 1.066 -13.437 1.266 1.00 0.00 H new ATOM 1705 N PHE A 110 5.728 -8.922 -1.634 1.00 0.00 N ATOM 1706 CA PHE A 110 5.560 -9.319 -3.026 1.00 0.00 C ATOM 1707 C PHE A 110 6.912 -9.582 -3.684 1.00 0.00 C ATOM 1708 O PHE A 110 7.080 -10.559 -4.413 1.00 0.00 O ATOM 1709 CB PHE A 110 4.807 -8.235 -3.801 1.00 0.00 C ATOM 1710 CG PHE A 110 3.316 -8.423 -3.797 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.731 -9.443 -4.530 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.500 -7.580 -3.060 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.360 -9.618 -4.529 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.128 -7.749 -3.055 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.558 -8.771 -3.789 1.00 0.00 C ATOM 0 H PHE A 110 5.304 -8.025 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 110 4.979 -10.241 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.044 -7.261 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.161 -8.224 -4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.354 -10.109 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.941 -6.781 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.916 -10.416 -5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.503 -7.083 -2.478 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.513 -8.908 -3.784 1.00 0.00 H new ATOM 1725 N SER A 111 7.873 -8.702 -3.420 1.00 0.00 N ATOM 1726 CA SER A 111 9.208 -8.835 -3.989 1.00 0.00 C ATOM 1727 C SER A 111 9.806 -10.199 -3.657 1.00 0.00 C ATOM 1728 O SER A 111 10.454 -10.827 -4.496 1.00 0.00 O ATOM 1729 CB SER A 111 10.121 -7.725 -3.465 1.00 0.00 C ATOM 1730 OG SER A 111 10.645 -8.054 -2.190 1.00 0.00 O ATOM 0 H SER A 111 7.751 -7.889 -2.816 1.00 0.00 H new ATOM 0 HA SER A 111 9.125 -8.747 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.939 -7.561 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.563 -6.791 -3.402 1.00 0.00 H new ATOM 0 HG SER A 111 9.923 -8.384 -1.615 1.00 0.00 H new ATOM 1736 N LYS A 112 9.585 -10.652 -2.428 1.00 0.00 N ATOM 1737 CA LYS A 112 10.099 -11.942 -1.983 1.00 0.00 C ATOM 1738 C LYS A 112 9.617 -13.065 -2.897 1.00 0.00 C ATOM 1739 O LYS A 112 10.402 -13.907 -3.329 1.00 0.00 O ATOM 1740 CB LYS A 112 9.663 -12.219 -0.543 1.00 0.00 C ATOM 1741 CG LYS A 112 10.399 -11.381 0.487 1.00 0.00 C ATOM 1742 CD LYS A 112 10.311 -11.996 1.874 1.00 0.00 C ATOM 1743 CE LYS A 112 8.954 -11.736 2.513 1.00 0.00 C ATOM 1744 NZ LYS A 112 7.928 -12.713 2.053 1.00 0.00 N ATOM 0 H LYS A 112 9.053 -10.144 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 112 11.188 -11.905 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.593 -12.032 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.822 -13.274 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.445 -11.283 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.979 -10.376 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.484 -13.070 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.097 -11.584 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.047 -11.791 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.627 -10.725 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.220 -12.224 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.386 -13.458 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.461 -13.141 2.878 1.00 0.00 H new ATOM 1758 N MET A 113 8.320 -13.069 -3.187 1.00 0.00 N ATOM 1759 CA MET A 113 7.733 -14.086 -4.051 1.00 0.00 C ATOM 1760 C MET A 113 8.627 -14.355 -5.258 1.00 0.00 C ATOM 1761 O MET A 113 9.403 -13.492 -5.673 1.00 0.00 O ATOM 1762 CB MET A 113 6.343 -13.651 -4.518 1.00 0.00 C ATOM 1763 CG MET A 113 5.267 -13.817 -3.457 1.00 0.00 C ATOM 1764 SD MET A 113 4.648 -15.508 -3.355 1.00 0.00 S ATOM 1765 CE MET A 113 3.000 -15.226 -2.711 1.00 0.00 C ATOM 0 H MET A 113 7.656 -12.379 -2.836 1.00 0.00 H new ATOM 0 HA MET A 113 7.642 -15.007 -3.475 1.00 0.00 H new ATOM 0 HB2 MET A 113 6.382 -12.606 -4.824 1.00 0.00 H new ATOM 0 HB3 MET A 113 6.066 -14.231 -5.399 1.00 0.00 H new ATOM 0 HG2 MET A 113 5.669 -13.522 -2.488 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.439 -13.143 -3.677 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.488 -16.181 -2.592 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.068 -14.727 -1.744 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.441 -14.598 -3.405 1.00 0.00 H new ATOM 1775 N LYS A 114 8.513 -15.553 -5.818 1.00 0.00 N ATOM 1776 CA LYS A 114 9.309 -15.936 -6.979 1.00 0.00 C ATOM 1777 C LYS A 114 9.497 -14.753 -7.923 1.00 0.00 C ATOM 1778 O LYS A 114 8.542 -14.048 -8.247 1.00 0.00 O ATOM 1779 CB LYS A 114 8.641 -17.094 -7.722 1.00 0.00 C ATOM 1780 CG LYS A 114 9.561 -17.798 -8.704 1.00 0.00 C ATOM 1781 CD LYS A 114 8.806 -18.808 -9.551 1.00 0.00 C ATOM 1782 CE LYS A 114 9.746 -19.826 -10.177 1.00 0.00 C ATOM 1783 NZ LYS A 114 9.017 -20.807 -11.027 1.00 0.00 N ATOM 0 H LYS A 114 7.876 -16.278 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 114 10.289 -16.257 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.277 -17.819 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 114 7.771 -16.716 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.035 -17.061 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 114 10.358 -18.303 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 114 8.069 -19.323 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.257 -18.288 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.493 -19.308 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.283 -20.356 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.694 -21.483 -11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.322 -21.320 -10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.525 -20.304 -11.793 1.00 0.00 H new ATOM 1797 N ALA A 115 10.734 -14.542 -8.361 1.00 0.00 N ATOM 1798 CA ALA A 115 11.045 -13.446 -9.271 1.00 0.00 C ATOM 1799 C ALA A 115 12.492 -13.522 -9.747 1.00 0.00 C ATOM 1800 O ALA A 115 13.344 -14.117 -9.086 1.00 0.00 O ATOM 1801 CB ALA A 115 10.780 -12.108 -8.597 1.00 0.00 C ATOM 0 H ALA A 115 11.537 -15.115 -8.101 1.00 0.00 H new ATOM 0 HA ALA A 115 10.397 -13.536 -10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.017 -11.299 -9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.730 -12.046 -8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 115 11.403 -12.019 -7.707 1.00 0.00 H new ATOM 1807 N LEU A 116 12.763 -12.918 -10.898 1.00 0.00 N ATOM 1808 CA LEU A 116 14.108 -12.918 -11.464 1.00 0.00 C ATOM 1809 C LEU A 116 15.160 -12.780 -10.368 1.00 0.00 C ATOM 1810 O LEU A 116 14.980 -12.025 -9.413 1.00 0.00 O ATOM 1811 CB LEU A 116 14.257 -11.781 -12.477 1.00 0.00 C ATOM 1812 CG LEU A 116 14.264 -10.366 -11.899 1.00 0.00 C ATOM 1813 CD1 LEU A 116 15.105 -9.440 -12.765 1.00 0.00 C ATOM 1814 CD2 LEU A 116 12.844 -9.834 -11.771 1.00 0.00 C ATOM 0 H LEU A 116 12.070 -12.422 -11.458 1.00 0.00 H new ATOM 0 HA LEU A 116 14.262 -13.870 -11.972 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.185 -11.932 -13.029 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.442 -11.854 -13.198 1.00 0.00 H new ATOM 0 HG LEU A 116 14.708 -10.403 -10.904 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.098 -8.437 -12.338 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.129 -9.810 -12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.691 -9.408 -13.773 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.869 -8.826 -11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.374 -9.812 -12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.271 -10.483 -11.109 1.00 0.00 H new ATOM 1826 N ALA A 117 16.259 -13.513 -10.515 1.00 0.00 N ATOM 1827 CA ALA A 117 17.342 -13.469 -9.540 1.00 0.00 C ATOM 1828 C ALA A 117 18.536 -14.294 -10.009 1.00 0.00 C ATOM 1829 O ALA A 117 18.373 -15.362 -10.599 1.00 0.00 O ATOM 1830 CB ALA A 117 16.854 -13.965 -8.187 1.00 0.00 C ATOM 0 H ALA A 117 16.423 -14.144 -11.299 1.00 0.00 H new ATOM 0 HA ALA A 117 17.666 -12.433 -9.440 1.00 0.00 H new ATOM 0 HB1 ALA A 117 17.673 -13.927 -7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 117 16.037 -13.332 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.502 -14.992 -8.281 1.00 0.00 H new ATOM 1836 N VAL A 118 19.738 -13.791 -9.742 1.00 0.00 N ATOM 1837 CA VAL A 118 20.959 -14.482 -10.136 1.00 0.00 C ATOM 1838 C VAL A 118 21.368 -15.515 -9.092 1.00 0.00 C ATOM 1839 O VAL A 118 22.524 -15.565 -8.674 1.00 0.00 O ATOM 1840 CB VAL A 118 22.121 -13.492 -10.344 1.00 0.00 C ATOM 1841 CG1 VAL A 118 21.942 -12.723 -11.644 1.00 0.00 C ATOM 1842 CG2 VAL A 118 22.228 -12.540 -9.162 1.00 0.00 C ATOM 0 H VAL A 118 19.891 -12.908 -9.255 1.00 0.00 H new ATOM 0 HA VAL A 118 20.747 -14.987 -11.079 1.00 0.00 H new ATOM 0 HB VAL A 118 23.050 -14.058 -10.410 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.772 -12.029 -11.773 1.00 0.00 H new ATOM 0 HG12 VAL A 118 21.920 -13.422 -12.480 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.005 -12.166 -11.611 1.00 0.00 H new ATOM 0 HG21 VAL A 118 23.054 -11.848 -9.326 1.00 0.00 H new ATOM 0 HG22 VAL A 118 21.299 -11.979 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.408 -13.110 -8.251 1.00 0.00 H new ATOM 1852 N GLU A 119 20.411 -16.339 -8.677 1.00 0.00 N ATOM 1853 CA GLU A 119 20.671 -17.372 -7.682 1.00 0.00 C ATOM 1854 C GLU A 119 21.338 -16.778 -6.444 1.00 0.00 C ATOM 1855 O GLU A 119 22.274 -17.356 -5.892 1.00 0.00 O ATOM 1856 CB GLU A 119 21.556 -18.471 -8.274 1.00 0.00 C ATOM 1857 CG GLU A 119 20.945 -19.158 -9.483 1.00 0.00 C ATOM 1858 CD GLU A 119 21.748 -20.361 -9.938 1.00 0.00 C ATOM 1859 OE1 GLU A 119 22.989 -20.329 -9.807 1.00 0.00 O ATOM 1860 OE2 GLU A 119 21.134 -21.335 -10.424 1.00 0.00 O ATOM 0 H GLU A 119 19.449 -16.311 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 119 19.715 -17.805 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 119 22.516 -18.039 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 119 21.757 -19.217 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.930 -19.473 -9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.871 -18.444 -10.303 1.00 0.00 H new ATOM 1867 N GLY A 120 20.849 -15.619 -6.014 1.00 0.00 N ATOM 1868 CA GLY A 120 21.410 -14.965 -4.845 1.00 0.00 C ATOM 1869 C GLY A 120 20.738 -15.403 -3.559 1.00 0.00 C ATOM 1870 O GLY A 120 19.674 -14.896 -3.201 1.00 0.00 O ATOM 0 H GLY A 120 20.075 -15.121 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.476 -15.183 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.311 -13.885 -4.954 1.00 0.00 H new ATOM 1874 N LYS A 121 21.359 -16.346 -2.859 1.00 0.00 N ATOM 1875 CA LYS A 121 20.816 -16.852 -1.605 1.00 0.00 C ATOM 1876 C LYS A 121 21.931 -17.331 -0.682 1.00 0.00 C ATOM 1877 O LYS A 121 22.972 -17.801 -1.143 1.00 0.00 O ATOM 1878 CB LYS A 121 19.836 -17.997 -1.874 1.00 0.00 C ATOM 1879 CG LYS A 121 20.447 -19.151 -2.650 1.00 0.00 C ATOM 1880 CD LYS A 121 19.378 -20.053 -3.242 1.00 0.00 C ATOM 1881 CE LYS A 121 18.928 -21.112 -2.248 1.00 0.00 C ATOM 1882 NZ LYS A 121 18.054 -22.135 -2.884 1.00 0.00 N ATOM 0 H LYS A 121 22.240 -16.776 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 121 20.287 -16.036 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 121 19.457 -18.370 -0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.981 -17.610 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 121 21.078 -18.760 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 121 21.091 -19.733 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 121 18.522 -19.452 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 121 19.764 -20.536 -4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 121 19.802 -21.599 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 121 18.391 -20.635 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 17.769 -22.839 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.207 -21.674 -3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.574 -22.608 -3.650 1.00 0.00 H new ATOM 1896 N SER A 122 21.708 -17.210 0.623 1.00 0.00 N ATOM 1897 CA SER A 122 22.696 -17.628 1.610 1.00 0.00 C ATOM 1898 C SER A 122 22.220 -18.865 2.365 1.00 0.00 C ATOM 1899 O SER A 122 21.604 -18.760 3.426 1.00 0.00 O ATOM 1900 CB SER A 122 22.976 -16.492 2.595 1.00 0.00 C ATOM 1901 OG SER A 122 23.896 -16.899 3.594 1.00 0.00 O ATOM 0 H SER A 122 20.851 -16.826 1.021 1.00 0.00 H new ATOM 0 HA SER A 122 23.617 -17.877 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 122 23.374 -15.631 2.058 1.00 0.00 H new ATOM 0 HB3 SER A 122 22.044 -16.173 3.062 1.00 0.00 H new ATOM 0 HG SER A 122 24.060 -16.155 4.210 1.00 0.00 H new ATOM 1907 N GLY A 123 22.508 -20.038 1.809 1.00 0.00 N ATOM 1908 CA GLY A 123 22.102 -21.279 2.443 1.00 0.00 C ATOM 1909 C GLY A 123 20.919 -21.924 1.748 1.00 0.00 C ATOM 1910 O GLY A 123 20.094 -21.253 1.129 1.00 0.00 O ATOM 0 H GLY A 123 23.015 -20.151 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 123 22.942 -21.974 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 123 21.846 -21.085 3.485 1.00 0.00 H new ATOM 1914 N PRO A 124 20.825 -23.259 1.846 1.00 0.00 N ATOM 1915 CA PRO A 124 19.739 -24.024 1.227 1.00 0.00 C ATOM 1916 C PRO A 124 18.398 -23.781 1.911 1.00 0.00 C ATOM 1917 O PRO A 124 18.340 -23.211 3.001 1.00 0.00 O ATOM 1918 CB PRO A 124 20.179 -25.478 1.413 1.00 0.00 C ATOM 1919 CG PRO A 124 21.075 -25.454 2.603 1.00 0.00 C ATOM 1920 CD PRO A 124 21.774 -24.123 2.568 1.00 0.00 C ATOM 0 HA PRO A 124 19.583 -23.742 0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 124 19.323 -26.133 1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 124 20.702 -25.849 0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 124 20.504 -25.571 3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 124 21.793 -26.273 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 124 21.975 -23.748 3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 124 22.733 -24.186 2.053 1.00 0.00 H new ATOM 1928 N SER A 125 17.322 -24.220 1.266 1.00 0.00 N ATOM 1929 CA SER A 125 15.980 -24.048 1.810 1.00 0.00 C ATOM 1930 C SER A 125 15.656 -25.150 2.814 1.00 0.00 C ATOM 1931 O SER A 125 15.868 -26.332 2.545 1.00 0.00 O ATOM 1932 CB SER A 125 14.945 -24.048 0.684 1.00 0.00 C ATOM 1933 OG SER A 125 14.876 -25.316 0.056 1.00 0.00 O ATOM 0 H SER A 125 17.353 -24.698 0.365 1.00 0.00 H new ATOM 0 HA SER A 125 15.944 -23.088 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.967 -23.783 1.085 1.00 0.00 H new ATOM 0 HB3 SER A 125 15.204 -23.287 -0.052 1.00 0.00 H new ATOM 0 HG SER A 125 14.206 -25.291 -0.659 1.00 0.00 H new ATOM 1939 N SER A 126 15.141 -24.753 3.975 1.00 0.00 N ATOM 1940 CA SER A 126 14.791 -25.705 5.021 1.00 0.00 C ATOM 1941 C SER A 126 13.277 -25.866 5.126 1.00 0.00 C ATOM 1942 O SER A 126 12.561 -24.912 5.429 1.00 0.00 O ATOM 1943 CB SER A 126 15.362 -25.250 6.366 1.00 0.00 C ATOM 1944 OG SER A 126 15.332 -26.302 7.315 1.00 0.00 O ATOM 0 H SER A 126 14.958 -23.778 4.213 1.00 0.00 H new ATOM 0 HA SER A 126 15.224 -26.670 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 126 16.388 -24.906 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 126 14.788 -24.402 6.740 1.00 0.00 H new ATOM 0 HG SER A 126 15.704 -25.986 8.165 1.00 0.00 H new ATOM 1950 N GLY A 127 12.798 -27.079 4.873 1.00 0.00 N ATOM 1951 CA GLY A 127 11.373 -27.344 4.942 1.00 0.00 C ATOM 1952 C GLY A 127 10.891 -27.551 6.365 1.00 0.00 C ATOM 1953 O GLY A 127 10.466 -26.605 7.027 1.00 0.00 O ATOM 0 H GLY A 127 13.372 -27.884 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 127 10.829 -26.512 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 127 11.142 -28.230 4.351 1.00 0.00 H new TER 1957 GLY A 127