USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 2:sc= 0.676! USER MOD Single : A 5 SER OG : rot 42:sc= 0.618 USER MOD Single : A 6 SER OG : rot 46:sc= 0.674 USER MOD Single : A 9 GLN : amide:sc= -0.0148 K(o=-0.015,f=-0.52) USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= -3.28 (180deg=-5.72!) USER MOD Single : A 14 ASN : amide:sc= -3.2! C(o=-3.2!,f=-14!) USER MOD Single : A 19 SER OG : rot 42:sc= 0.173 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 27 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.01) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= 0.226 (180deg=-0.11) USER MOD Single : A 35 GLN : amide:sc= -1.2! X(o=-1.2!,f=-0.82) USER MOD Single : A 36 GLN : amide:sc= 0.236 X(o=0.24,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.07) USER MOD Single : A 41 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.3!) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -1.42 (180deg=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -2.24! C(o=-2.2!,f=-4.9!) USER MOD Single : A 48 GLN : amide:sc= -0.252 K(o=-0.25,f=-2.3!) USER MOD Single : A 49 GLN :FLIP amide:sc= -1.52 F(o=-3!,f=-1.5) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 55 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 58 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.44!) USER MOD Single : A 66 TYR OH : rot -91:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -19:sc= 0.785 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 147:sc= -0.842 (180deg=-1.92!) USER MOD Single : A 82 SER OG : rot 10:sc= 0.807 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.898 2.161 -14.851 1.00 0.00 N ATOM 2 CA GLY A 1 1.634 0.810 -14.391 1.00 0.00 C ATOM 3 C GLY A 1 0.187 0.404 -14.585 1.00 0.00 C ATOM 4 O GLY A 1 -0.330 0.436 -15.702 1.00 0.00 O ATOM 0 H1 GLY A 1 2.901 2.391 -14.697 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.679 2.231 -15.865 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.304 2.830 -14.321 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.278 0.114 -14.928 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.891 0.732 -13.335 1.00 0.00 H new ATOM 8 N SER A 2 -0.469 0.019 -13.495 1.00 0.00 N ATOM 9 CA SER A 2 -1.864 -0.401 -13.550 1.00 0.00 C ATOM 10 C SER A 2 -2.788 0.803 -13.712 1.00 0.00 C ATOM 11 O SER A 2 -2.390 1.942 -13.467 1.00 0.00 O ATOM 12 CB SER A 2 -2.236 -1.177 -12.286 1.00 0.00 C ATOM 13 OG SER A 2 -1.956 -2.558 -12.434 1.00 0.00 O ATOM 0 H SER A 2 -0.056 -0.011 -12.563 1.00 0.00 H new ATOM 0 HA SER A 2 -1.988 -1.051 -14.416 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.682 -0.780 -11.435 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.295 -1.039 -12.069 1.00 0.00 H new ATOM 0 HG SER A 2 -2.201 -3.031 -11.612 1.00 0.00 H new ATOM 19 N SER A 3 -4.023 0.541 -14.127 1.00 0.00 N ATOM 20 CA SER A 3 -5.003 1.602 -14.325 1.00 0.00 C ATOM 21 C SER A 3 -6.295 1.296 -13.573 1.00 0.00 C ATOM 22 O SER A 3 -6.908 0.248 -13.770 1.00 0.00 O ATOM 23 CB SER A 3 -5.298 1.781 -15.816 1.00 0.00 C ATOM 24 OG SER A 3 -6.214 0.803 -16.276 1.00 0.00 O ATOM 0 H SER A 3 -4.369 -0.396 -14.333 1.00 0.00 H new ATOM 0 HA SER A 3 -4.584 2.528 -13.931 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.705 2.777 -15.992 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.371 1.711 -16.384 1.00 0.00 H new ATOM 0 HG SER A 3 -6.494 0.238 -15.526 1.00 0.00 H new ATOM 30 N GLY A 4 -6.703 2.222 -12.710 1.00 0.00 N ATOM 31 CA GLY A 4 -7.919 2.033 -11.940 1.00 0.00 C ATOM 32 C GLY A 4 -7.643 1.561 -10.527 1.00 0.00 C ATOM 33 O GLY A 4 -6.865 0.632 -10.316 1.00 0.00 O ATOM 0 H GLY A 4 -6.214 3.099 -12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.472 2.971 -11.905 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.556 1.306 -12.445 1.00 0.00 H new ATOM 37 N SER A 5 -8.282 2.205 -9.555 1.00 0.00 N ATOM 38 CA SER A 5 -8.098 1.849 -8.152 1.00 0.00 C ATOM 39 C SER A 5 -7.913 0.343 -7.994 1.00 0.00 C ATOM 40 O SER A 5 -8.880 -0.418 -8.021 1.00 0.00 O ATOM 41 CB SER A 5 -9.295 2.318 -7.324 1.00 0.00 C ATOM 42 OG SER A 5 -10.508 1.794 -7.838 1.00 0.00 O ATOM 0 H SER A 5 -8.931 2.976 -9.713 1.00 0.00 H new ATOM 0 HA SER A 5 -7.199 2.347 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.170 2.004 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.337 3.407 -7.324 1.00 0.00 H new ATOM 0 HG SER A 5 -10.380 0.854 -8.084 1.00 0.00 H new ATOM 48 N SER A 6 -6.664 -0.079 -7.828 1.00 0.00 N ATOM 49 CA SER A 6 -6.350 -1.494 -7.668 1.00 0.00 C ATOM 50 C SER A 6 -6.093 -1.832 -6.203 1.00 0.00 C ATOM 51 O SER A 6 -4.958 -1.778 -5.731 1.00 0.00 O ATOM 52 CB SER A 6 -5.128 -1.865 -8.511 1.00 0.00 C ATOM 53 OG SER A 6 -4.007 -1.073 -8.160 1.00 0.00 O ATOM 0 H SER A 6 -5.853 0.539 -7.801 1.00 0.00 H new ATOM 0 HA SER A 6 -7.208 -2.072 -8.010 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.891 -2.919 -8.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.357 -1.729 -9.568 1.00 0.00 H new ATOM 0 HG SER A 6 -3.931 -1.028 -7.184 1.00 0.00 H new ATOM 59 N GLY A 7 -7.158 -2.182 -5.487 1.00 0.00 N ATOM 60 CA GLY A 7 -7.028 -2.523 -4.083 1.00 0.00 C ATOM 61 C GLY A 7 -7.830 -1.601 -3.186 1.00 0.00 C ATOM 62 O GLY A 7 -8.938 -1.194 -3.535 1.00 0.00 O ATOM 0 H GLY A 7 -8.108 -2.235 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.357 -3.551 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.977 -2.479 -3.797 1.00 0.00 H new ATOM 66 N ILE A 8 -7.270 -1.273 -2.026 1.00 0.00 N ATOM 67 CA ILE A 8 -7.941 -0.394 -1.077 1.00 0.00 C ATOM 68 C ILE A 8 -7.531 1.059 -1.288 1.00 0.00 C ATOM 69 O ILE A 8 -6.435 1.341 -1.772 1.00 0.00 O ATOM 70 CB ILE A 8 -7.632 -0.796 0.378 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.160 -0.533 0.701 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.977 -2.260 0.607 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.863 -0.498 2.184 1.00 0.00 C ATOM 0 H ILE A 8 -6.354 -1.603 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.011 -0.497 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.245 -0.190 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.550 -1.307 0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.863 0.417 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.753 -2.529 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.038 -2.419 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.387 -2.882 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.801 -0.307 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.446 0.295 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.128 -1.456 2.631 1.00 0.00 H new ATOM 85 N GLN A 9 -8.418 1.979 -0.921 1.00 0.00 N ATOM 86 CA GLN A 9 -8.147 3.404 -1.070 1.00 0.00 C ATOM 87 C GLN A 9 -7.789 4.033 0.272 1.00 0.00 C ATOM 88 O GLN A 9 -8.590 4.025 1.207 1.00 0.00 O ATOM 89 CB GLN A 9 -9.360 4.114 -1.672 1.00 0.00 C ATOM 90 CG GLN A 9 -9.078 5.548 -2.094 1.00 0.00 C ATOM 91 CD GLN A 9 -10.345 6.336 -2.365 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.312 6.258 -1.608 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.345 7.100 -3.451 1.00 0.00 N ATOM 0 H GLN A 9 -9.330 1.763 -0.519 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.297 3.519 -1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.707 3.551 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.171 4.111 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.505 6.047 -1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.458 5.544 -2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.520 7.134 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.170 7.653 -3.686 1.00 0.00 H new ATOM 102 N VAL A 10 -6.579 4.577 0.361 1.00 0.00 N ATOM 103 CA VAL A 10 -6.114 5.211 1.589 1.00 0.00 C ATOM 104 C VAL A 10 -5.937 6.713 1.398 1.00 0.00 C ATOM 105 O VAL A 10 -5.631 7.179 0.300 1.00 0.00 O ATOM 106 CB VAL A 10 -4.781 4.604 2.064 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.928 3.108 2.297 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.677 4.889 1.057 1.00 0.00 C ATOM 0 H VAL A 10 -5.903 4.591 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.876 5.031 2.347 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.507 5.070 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.976 2.697 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.688 2.931 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.226 2.623 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.742 4.453 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.941 4.452 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.555 5.966 0.946 1.00 0.00 H new ATOM 118 N PHE A 11 -6.131 7.468 2.475 1.00 0.00 N ATOM 119 CA PHE A 11 -5.993 8.919 2.427 1.00 0.00 C ATOM 120 C PHE A 11 -4.668 9.360 3.042 1.00 0.00 C ATOM 121 O PHE A 11 -4.471 9.264 4.254 1.00 0.00 O ATOM 122 CB PHE A 11 -7.157 9.588 3.160 1.00 0.00 C ATOM 123 CG PHE A 11 -8.432 9.611 2.367 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.580 10.475 1.294 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.483 8.769 2.694 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.752 10.498 0.561 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.657 8.787 1.965 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.792 9.654 0.898 1.00 0.00 C ATOM 0 H PHE A 11 -6.384 7.099 3.391 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.008 9.226 1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.333 9.065 4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.877 10.611 3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.770 11.138 1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.383 8.091 3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.854 11.175 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.468 8.124 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.709 9.672 0.328 1.00 0.00 H new ATOM 138 N VAL A 12 -3.762 9.843 2.198 1.00 0.00 N ATOM 139 CA VAL A 12 -2.456 10.300 2.658 1.00 0.00 C ATOM 140 C VAL A 12 -2.482 11.786 2.997 1.00 0.00 C ATOM 141 O VAL A 12 -2.475 12.637 2.107 1.00 0.00 O ATOM 142 CB VAL A 12 -1.368 10.045 1.598 1.00 0.00 C ATOM 143 CG1 VAL A 12 -0.030 10.600 2.063 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.260 8.558 1.293 1.00 0.00 C ATOM 0 H VAL A 12 -3.908 9.928 1.192 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.219 9.730 3.556 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.650 10.562 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.727 10.411 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.119 11.674 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.262 10.113 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.487 8.396 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.001 8.018 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.215 8.194 0.915 1.00 0.00 H new ATOM 154 N LYS A 13 -2.510 12.092 4.289 1.00 0.00 N ATOM 155 CA LYS A 13 -2.535 13.476 4.748 1.00 0.00 C ATOM 156 C LYS A 13 -1.132 14.075 4.745 1.00 0.00 C ATOM 157 O LYS A 13 -0.281 13.689 5.545 1.00 0.00 O ATOM 158 CB LYS A 13 -3.133 13.558 6.154 1.00 0.00 C ATOM 159 CG LYS A 13 -3.730 14.915 6.483 1.00 0.00 C ATOM 160 CD LYS A 13 -3.898 15.102 7.982 1.00 0.00 C ATOM 161 CE LYS A 13 -2.648 15.694 8.614 1.00 0.00 C ATOM 162 NZ LYS A 13 -1.529 14.712 8.655 1.00 0.00 N ATOM 0 H LYS A 13 -2.516 11.400 5.038 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.158 14.049 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.906 12.796 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.357 13.325 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.088 15.702 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.698 15.016 5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.749 15.755 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.122 14.142 8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.338 16.574 8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.876 16.027 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.962 14.868 9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.915 13.746 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.928 14.835 7.815 1.00 0.00 H new ATOM 176 N ASN A 14 -0.899 15.021 3.841 1.00 0.00 N ATOM 177 CA ASN A 14 0.401 15.674 3.735 1.00 0.00 C ATOM 178 C ASN A 14 0.649 16.588 4.931 1.00 0.00 C ATOM 179 O ASN A 14 -0.280 17.055 5.590 1.00 0.00 O ATOM 180 CB ASN A 14 0.486 16.480 2.437 1.00 0.00 C ATOM 181 CG ASN A 14 -0.780 17.268 2.162 1.00 0.00 C ATOM 182 OD1 ASN A 14 -1.560 17.549 3.072 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.990 17.628 0.901 1.00 0.00 N ATOM 0 H ASN A 14 -1.593 15.353 3.171 1.00 0.00 H new ATOM 0 HA ASN A 14 1.169 14.900 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.332 17.165 2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.678 15.803 1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.825 18.159 0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.316 17.373 0.179 1.00 0.00 H new ATOM 190 N PRO A 15 1.933 16.850 5.218 1.00 0.00 N ATOM 191 CA PRO A 15 2.334 17.711 6.335 1.00 0.00 C ATOM 192 C PRO A 15 1.987 19.176 6.092 1.00 0.00 C ATOM 193 O PRO A 15 1.559 19.882 7.005 1.00 0.00 O ATOM 194 CB PRO A 15 3.852 17.525 6.399 1.00 0.00 C ATOM 195 CG PRO A 15 4.243 17.127 5.018 1.00 0.00 C ATOM 196 CD PRO A 15 3.091 16.327 4.475 1.00 0.00 C ATOM 0 HA PRO A 15 1.819 17.446 7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.351 18.445 6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.127 16.759 7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.435 18.003 4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.159 16.536 5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.976 16.467 3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.228 15.259 4.644 1.00 0.00 H new ATOM 204 N ASP A 16 2.174 19.626 4.856 1.00 0.00 N ATOM 205 CA ASP A 16 1.879 21.007 4.492 1.00 0.00 C ATOM 206 C ASP A 16 0.397 21.314 4.683 1.00 0.00 C ATOM 207 O ASP A 16 0.034 22.349 5.241 1.00 0.00 O ATOM 208 CB ASP A 16 2.284 21.272 3.042 1.00 0.00 C ATOM 209 CG ASP A 16 1.470 20.459 2.055 1.00 0.00 C ATOM 210 OD1 ASP A 16 1.757 19.254 1.900 1.00 0.00 O ATOM 211 OD2 ASP A 16 0.546 21.028 1.436 1.00 0.00 O ATOM 0 H ASP A 16 2.529 19.054 4.089 1.00 0.00 H new ATOM 0 HA ASP A 16 2.455 21.661 5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.162 22.333 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.341 21.039 2.915 1.00 0.00 H new ATOM 216 N GLY A 17 -0.456 20.408 4.216 1.00 0.00 N ATOM 217 CA GLY A 17 -1.888 20.601 4.344 1.00 0.00 C ATOM 218 C GLY A 17 -2.662 19.988 3.194 1.00 0.00 C ATOM 219 O GLY A 17 -2.404 20.293 2.030 1.00 0.00 O ATOM 0 H GLY A 17 -0.180 19.543 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.228 20.161 5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.104 21.668 4.395 1.00 0.00 H new ATOM 223 N GLY A 18 -3.612 19.117 3.519 1.00 0.00 N ATOM 224 CA GLY A 18 -4.409 18.471 2.493 1.00 0.00 C ATOM 225 C GLY A 18 -4.607 16.991 2.758 1.00 0.00 C ATOM 226 O GLY A 18 -4.521 16.541 3.900 1.00 0.00 O ATOM 0 H GLY A 18 -3.844 18.847 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.382 18.959 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.925 18.602 1.525 1.00 0.00 H new ATOM 230 N SER A 19 -4.873 16.233 1.699 1.00 0.00 N ATOM 231 CA SER A 19 -5.089 14.796 1.823 1.00 0.00 C ATOM 232 C SER A 19 -5.248 14.150 0.451 1.00 0.00 C ATOM 233 O SER A 19 -6.215 14.415 -0.265 1.00 0.00 O ATOM 234 CB SER A 19 -6.327 14.517 2.678 1.00 0.00 C ATOM 235 OG SER A 19 -7.434 15.282 2.237 1.00 0.00 O ATOM 0 H SER A 19 -4.944 16.590 0.746 1.00 0.00 H new ATOM 0 HA SER A 19 -4.215 14.363 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.573 13.456 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.112 14.750 3.721 1.00 0.00 H new ATOM 0 HG SER A 19 -7.465 15.278 1.258 1.00 0.00 H new ATOM 241 N TYR A 20 -4.293 13.300 0.089 1.00 0.00 N ATOM 242 CA TYR A 20 -4.325 12.617 -1.199 1.00 0.00 C ATOM 243 C TYR A 20 -4.964 11.238 -1.068 1.00 0.00 C ATOM 244 O TYR A 20 -5.057 10.686 0.028 1.00 0.00 O ATOM 245 CB TYR A 20 -2.910 12.485 -1.764 1.00 0.00 C ATOM 246 CG TYR A 20 -2.439 13.712 -2.511 1.00 0.00 C ATOM 247 CD1 TYR A 20 -2.831 14.984 -2.113 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.604 13.600 -3.616 1.00 0.00 C ATOM 249 CE1 TYR A 20 -2.403 16.109 -2.792 1.00 0.00 C ATOM 250 CE2 TYR A 20 -1.171 14.718 -4.300 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.573 15.971 -3.885 1.00 0.00 C ATOM 252 OH TYR A 20 -1.145 17.087 -4.565 1.00 0.00 O ATOM 0 H TYR A 20 -3.487 13.068 0.670 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.928 13.213 -1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.219 12.280 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.874 11.626 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.482 15.096 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.288 12.621 -3.945 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.717 17.091 -2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.521 14.613 -5.156 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.566 16.816 -5.308 1.00 0.00 H new ATOM 262 N ALA A 21 -5.402 10.687 -2.195 1.00 0.00 N ATOM 263 CA ALA A 21 -6.030 9.372 -2.209 1.00 0.00 C ATOM 264 C ALA A 21 -5.279 8.415 -3.128 1.00 0.00 C ATOM 265 O ALA A 21 -5.278 8.582 -4.348 1.00 0.00 O ATOM 266 CB ALA A 21 -7.485 9.486 -2.639 1.00 0.00 C ATOM 0 H ALA A 21 -5.333 11.131 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.992 8.968 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.941 8.496 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.021 10.129 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.536 9.915 -3.640 1.00 0.00 H new ATOM 272 N TYR A 22 -4.640 7.412 -2.535 1.00 0.00 N ATOM 273 CA TYR A 22 -3.881 6.430 -3.300 1.00 0.00 C ATOM 274 C TYR A 22 -4.566 5.067 -3.266 1.00 0.00 C ATOM 275 O TYR A 22 -5.337 4.769 -2.355 1.00 0.00 O ATOM 276 CB TYR A 22 -2.459 6.312 -2.751 1.00 0.00 C ATOM 277 CG TYR A 22 -1.614 7.544 -2.988 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.742 8.665 -2.178 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.687 7.585 -4.022 1.00 0.00 C ATOM 280 CE1 TYR A 22 -0.974 9.793 -2.392 1.00 0.00 C ATOM 281 CE2 TYR A 22 0.087 8.708 -4.243 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.060 9.809 -3.425 1.00 0.00 C ATOM 283 OH TYR A 22 0.709 10.930 -3.641 1.00 0.00 O ATOM 0 H TYR A 22 -4.633 7.258 -1.527 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.836 6.769 -4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.507 6.115 -1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.971 5.453 -3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.455 8.655 -1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.569 6.724 -4.664 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.088 10.657 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.803 8.724 -5.051 1.00 0.00 H new ATOM 0 HH TYR A 22 0.860 11.392 -2.790 1.00 0.00 H new ATOM 293 N ALA A 23 -4.276 4.242 -4.268 1.00 0.00 N ATOM 294 CA ALA A 23 -4.861 2.909 -4.352 1.00 0.00 C ATOM 295 C ALA A 23 -3.779 1.835 -4.355 1.00 0.00 C ATOM 296 O ALA A 23 -2.904 1.824 -5.222 1.00 0.00 O ATOM 297 CB ALA A 23 -5.728 2.792 -5.597 1.00 0.00 C ATOM 0 H ALA A 23 -3.640 4.473 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.486 2.756 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.159 1.792 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.529 3.530 -5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.118 2.970 -6.483 1.00 0.00 H new ATOM 303 N ILE A 24 -3.844 0.933 -3.381 1.00 0.00 N ATOM 304 CA ILE A 24 -2.870 -0.145 -3.273 1.00 0.00 C ATOM 305 C ILE A 24 -3.487 -1.380 -2.625 1.00 0.00 C ATOM 306 O ILE A 24 -4.280 -1.272 -1.691 1.00 0.00 O ATOM 307 CB ILE A 24 -1.638 0.288 -2.456 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.840 -0.937 -2.006 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.065 1.119 -1.255 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.563 -0.609 -1.547 1.00 0.00 C ATOM 0 H ILE A 24 -4.561 0.928 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.555 -0.388 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.998 0.902 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.374 -1.430 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.787 -1.649 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.184 1.418 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.595 2.008 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.723 0.527 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.070 -1.525 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.114 -0.144 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.518 0.079 -0.702 1.00 0.00 H new ATOM 322 N ASN A 25 -3.114 -2.553 -3.126 1.00 0.00 N ATOM 323 CA ASN A 25 -3.630 -3.810 -2.595 1.00 0.00 C ATOM 324 C ASN A 25 -3.210 -3.999 -1.141 1.00 0.00 C ATOM 325 O ASN A 25 -2.109 -3.628 -0.733 1.00 0.00 O ATOM 326 CB ASN A 25 -3.133 -4.986 -3.438 1.00 0.00 C ATOM 327 CG ASN A 25 -3.822 -5.062 -4.787 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.046 -5.165 -4.867 1.00 0.00 O ATOM 329 ND2 ASN A 25 -3.036 -5.011 -5.856 1.00 0.00 N ATOM 0 H ASN A 25 -2.457 -2.660 -3.899 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.719 -3.775 -2.639 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.057 -4.894 -3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.301 -5.916 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.442 -5.057 -6.790 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.026 -4.925 -5.743 1.00 0.00 H new ATOM 336 N PRO A 26 -4.106 -4.591 -0.338 1.00 0.00 N ATOM 337 CA PRO A 26 -3.851 -4.845 1.083 1.00 0.00 C ATOM 338 C PRO A 26 -2.797 -5.926 1.299 1.00 0.00 C ATOM 339 O PRO A 26 -2.250 -6.063 2.392 1.00 0.00 O ATOM 340 CB PRO A 26 -5.210 -5.310 1.611 1.00 0.00 C ATOM 341 CG PRO A 26 -5.906 -5.872 0.420 1.00 0.00 C ATOM 342 CD PRO A 26 -5.438 -5.060 -0.756 1.00 0.00 C ATOM 0 HA PRO A 26 -3.461 -3.963 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.095 -6.060 2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.771 -4.482 2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.663 -6.926 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.988 -5.806 0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.386 -5.661 -1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.111 -4.228 -0.963 1.00 0.00 H new ATOM 350 N ASN A 27 -2.517 -6.691 0.249 1.00 0.00 N ATOM 351 CA ASN A 27 -1.529 -7.761 0.325 1.00 0.00 C ATOM 352 C ASN A 27 -0.135 -7.237 -0.007 1.00 0.00 C ATOM 353 O ASN A 27 0.869 -7.777 0.458 1.00 0.00 O ATOM 354 CB ASN A 27 -1.901 -8.895 -0.632 1.00 0.00 C ATOM 355 CG ASN A 27 -0.884 -10.021 -0.617 1.00 0.00 C ATOM 356 OD1 ASN A 27 -0.938 -10.909 0.233 1.00 0.00 O ATOM 357 ND2 ASN A 27 0.049 -9.987 -1.561 1.00 0.00 N ATOM 0 H ASN A 27 -2.960 -6.590 -0.664 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.521 -8.144 1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.880 -9.290 -0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.986 -8.499 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.760 -10.717 -1.602 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.055 -9.231 -2.245 1.00 0.00 H new ATOM 364 N SER A 28 -0.081 -6.182 -0.814 1.00 0.00 N ATOM 365 CA SER A 28 1.190 -5.587 -1.211 1.00 0.00 C ATOM 366 C SER A 28 1.908 -4.987 -0.006 1.00 0.00 C ATOM 367 O SER A 28 1.290 -4.694 1.017 1.00 0.00 O ATOM 368 CB SER A 28 0.963 -4.509 -2.273 1.00 0.00 C ATOM 369 OG SER A 28 0.689 -5.089 -3.537 1.00 0.00 O ATOM 0 H SER A 28 -0.903 -5.722 -1.206 1.00 0.00 H new ATOM 0 HA SER A 28 1.817 -6.374 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.132 -3.869 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.845 -3.873 -2.345 1.00 0.00 H new ATOM 0 HG SER A 28 0.546 -4.380 -4.198 1.00 0.00 H new ATOM 375 N PHE A 29 3.219 -4.808 -0.136 1.00 0.00 N ATOM 376 CA PHE A 29 4.023 -4.244 0.942 1.00 0.00 C ATOM 377 C PHE A 29 3.805 -2.738 1.053 1.00 0.00 C ATOM 378 O PHE A 29 3.509 -2.068 0.063 1.00 0.00 O ATOM 379 CB PHE A 29 5.506 -4.540 0.708 1.00 0.00 C ATOM 380 CG PHE A 29 5.804 -6.000 0.519 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.433 -6.926 1.479 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.454 -6.446 -0.621 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.706 -8.270 1.308 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.730 -7.788 -0.798 1.00 0.00 C ATOM 385 CZ PHE A 29 6.354 -8.702 0.167 1.00 0.00 C ATOM 0 H PHE A 29 3.746 -5.045 -0.976 1.00 0.00 H new ATOM 0 HA PHE A 29 3.709 -4.708 1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.843 -3.992 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.081 -4.167 1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.924 -6.594 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.748 -5.736 -1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.413 -8.982 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.239 -8.122 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.566 -9.752 0.030 1.00 0.00 H new ATOM 395 N ILE A 30 3.952 -2.213 2.264 1.00 0.00 N ATOM 396 CA ILE A 30 3.772 -0.786 2.505 1.00 0.00 C ATOM 397 C ILE A 30 4.545 0.045 1.487 1.00 0.00 C ATOM 398 O ILE A 30 4.048 1.055 0.987 1.00 0.00 O ATOM 399 CB ILE A 30 4.225 -0.393 3.923 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.422 -1.166 4.972 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.072 1.106 4.131 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.962 -0.772 5.026 1.00 0.00 C ATOM 0 H ILE A 30 4.195 -2.754 3.094 1.00 0.00 H new ATOM 0 HA ILE A 30 2.706 -0.581 2.404 1.00 0.00 H new ATOM 0 HB ILE A 30 5.278 -0.651 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.495 -2.233 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.870 -1.005 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.396 1.369 5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.683 1.639 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.027 1.386 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.455 -1.360 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.880 0.288 5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.498 -0.960 4.057 1.00 0.00 H new ATOM 414 N LEU A 31 5.764 -0.386 1.184 1.00 0.00 N ATOM 415 CA LEU A 31 6.608 0.317 0.223 1.00 0.00 C ATOM 416 C LEU A 31 5.834 0.631 -1.053 1.00 0.00 C ATOM 417 O LEU A 31 5.839 1.764 -1.532 1.00 0.00 O ATOM 418 CB LEU A 31 7.844 -0.520 -0.109 1.00 0.00 C ATOM 419 CG LEU A 31 8.896 0.156 -0.988 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.676 1.189 -0.189 1.00 0.00 C ATOM 421 CD2 LEU A 31 9.837 -0.879 -1.586 1.00 0.00 C ATOM 0 H LEU A 31 6.191 -1.219 1.590 1.00 0.00 H new ATOM 0 HA LEU A 31 6.925 1.257 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.318 -0.818 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.517 -1.433 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 31 8.385 0.668 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.420 1.660 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.992 1.948 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.176 0.700 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.579 -0.379 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.340 -1.419 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.267 -1.581 -2.194 1.00 0.00 H new ATOM 433 N GLY A 32 5.167 -0.382 -1.599 1.00 0.00 N ATOM 434 CA GLY A 32 4.396 -0.193 -2.814 1.00 0.00 C ATOM 435 C GLY A 32 3.570 1.078 -2.785 1.00 0.00 C ATOM 436 O GLY A 32 3.411 1.747 -3.807 1.00 0.00 O ATOM 0 H GLY A 32 5.147 -1.329 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.072 -0.164 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.736 -1.048 -2.959 1.00 0.00 H new ATOM 440 N LEU A 33 3.042 1.411 -1.613 1.00 0.00 N ATOM 441 CA LEU A 33 2.226 2.610 -1.454 1.00 0.00 C ATOM 442 C LEU A 33 3.089 3.867 -1.503 1.00 0.00 C ATOM 443 O LEU A 33 2.801 4.803 -2.249 1.00 0.00 O ATOM 444 CB LEU A 33 1.456 2.556 -0.134 1.00 0.00 C ATOM 445 CG LEU A 33 0.796 3.862 0.313 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.113 4.401 -0.781 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.016 3.652 1.602 1.00 0.00 C ATOM 0 H LEU A 33 3.164 0.868 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 33 1.515 2.648 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.683 1.792 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.141 2.232 0.650 1.00 0.00 H new ATOM 0 HG LEU A 33 1.579 4.597 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.574 5.330 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.473 4.590 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.890 3.669 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.446 4.592 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.758 2.902 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.693 3.312 2.386 1.00 0.00 H new ATOM 459 N LYS A 34 4.149 3.881 -0.703 1.00 0.00 N ATOM 460 CA LYS A 34 5.058 5.020 -0.655 1.00 0.00 C ATOM 461 C LYS A 34 5.591 5.349 -2.046 1.00 0.00 C ATOM 462 O LYS A 34 5.439 6.471 -2.529 1.00 0.00 O ATOM 463 CB LYS A 34 6.223 4.731 0.293 1.00 0.00 C ATOM 464 CG LYS A 34 5.943 5.114 1.736 1.00 0.00 C ATOM 465 CD LYS A 34 5.267 3.982 2.492 1.00 0.00 C ATOM 466 CE LYS A 34 5.440 4.135 3.996 1.00 0.00 C ATOM 467 NZ LYS A 34 6.823 3.797 4.432 1.00 0.00 N ATOM 0 H LYS A 34 4.400 3.115 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 34 4.502 5.881 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.462 3.669 0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.104 5.271 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.878 5.377 2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.309 6.000 1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.205 3.962 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.686 3.028 2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.208 5.160 4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.729 3.489 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.783 3.224 5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.301 3.258 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.351 4.673 4.620 1.00 0.00 H new ATOM 481 N GLN A 35 6.213 4.364 -2.685 1.00 0.00 N ATOM 482 CA GLN A 35 6.767 4.550 -4.021 1.00 0.00 C ATOM 483 C GLN A 35 5.867 5.448 -4.863 1.00 0.00 C ATOM 484 O GLN A 35 6.337 6.390 -5.500 1.00 0.00 O ATOM 485 CB GLN A 35 6.950 3.198 -4.713 1.00 0.00 C ATOM 486 CG GLN A 35 7.543 3.305 -6.109 1.00 0.00 C ATOM 487 CD GLN A 35 8.905 3.971 -6.115 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.831 3.522 -5.439 1.00 0.00 O ATOM 489 NE2 GLN A 35 9.034 5.049 -6.880 1.00 0.00 N ATOM 0 H GLN A 35 6.346 3.429 -2.299 1.00 0.00 H new ATOM 0 HA GLN A 35 7.739 5.033 -3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.596 2.570 -4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.984 2.697 -4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.629 2.308 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.863 3.871 -6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.240 5.386 -7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.927 5.539 -6.924 1.00 0.00 H new ATOM 498 N GLN A 36 4.572 5.149 -4.861 1.00 0.00 N ATOM 499 CA GLN A 36 3.607 5.930 -5.626 1.00 0.00 C ATOM 500 C GLN A 36 3.684 7.407 -5.253 1.00 0.00 C ATOM 501 O GLN A 36 3.648 8.279 -6.122 1.00 0.00 O ATOM 502 CB GLN A 36 2.190 5.405 -5.387 1.00 0.00 C ATOM 503 CG GLN A 36 1.780 4.302 -6.350 1.00 0.00 C ATOM 504 CD GLN A 36 0.284 4.059 -6.356 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.431 4.539 -7.235 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.198 3.308 -5.372 1.00 0.00 N ATOM 0 H GLN A 36 4.167 4.372 -4.339 1.00 0.00 H new ATOM 0 HA GLN A 36 3.851 5.828 -6.683 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.118 5.030 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.485 6.232 -5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.106 4.564 -7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.293 3.379 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.431 2.930 -4.664 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.197 3.109 -5.325 1.00 0.00 H new ATOM 515 N ILE A 37 3.788 7.680 -3.957 1.00 0.00 N ATOM 516 CA ILE A 37 3.870 9.052 -3.470 1.00 0.00 C ATOM 517 C ILE A 37 5.141 9.735 -3.964 1.00 0.00 C ATOM 518 O ILE A 37 5.124 10.911 -4.324 1.00 0.00 O ATOM 519 CB ILE A 37 3.836 9.106 -1.931 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.523 8.520 -1.408 1.00 0.00 C ATOM 521 CG2 ILE A 37 4.014 10.537 -1.448 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.591 8.081 0.038 1.00 0.00 C ATOM 0 H ILE A 37 3.817 6.970 -3.225 1.00 0.00 H new ATOM 0 HA ILE A 37 3.001 9.579 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 37 4.659 8.507 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.734 9.264 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.244 7.666 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.988 10.559 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.973 10.922 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.209 11.157 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.625 7.676 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.357 7.314 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.839 8.936 0.667 1.00 0.00 H new ATOM 534 N GLU A 38 6.241 8.988 -3.978 1.00 0.00 N ATOM 535 CA GLU A 38 7.520 9.522 -4.429 1.00 0.00 C ATOM 536 C GLU A 38 7.501 9.787 -5.931 1.00 0.00 C ATOM 537 O GLU A 38 8.181 10.688 -6.423 1.00 0.00 O ATOM 538 CB GLU A 38 8.653 8.553 -4.085 1.00 0.00 C ATOM 539 CG GLU A 38 9.976 8.902 -4.746 1.00 0.00 C ATOM 540 CD GLU A 38 10.954 7.744 -4.742 1.00 0.00 C ATOM 541 OE1 GLU A 38 10.511 6.592 -4.928 1.00 0.00 O ATOM 542 OE2 GLU A 38 12.164 7.991 -4.554 1.00 0.00 O ATOM 0 H GLU A 38 6.272 8.012 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 38 7.691 10.467 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.790 8.537 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.362 7.546 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.793 9.214 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.423 9.752 -4.230 1.00 0.00 H new ATOM 549 N ASP A 39 6.718 8.994 -6.655 1.00 0.00 N ATOM 550 CA ASP A 39 6.608 9.142 -8.102 1.00 0.00 C ATOM 551 C ASP A 39 5.576 10.206 -8.463 1.00 0.00 C ATOM 552 O ASP A 39 5.572 10.725 -9.579 1.00 0.00 O ATOM 553 CB ASP A 39 6.229 7.807 -8.745 1.00 0.00 C ATOM 554 CG ASP A 39 7.439 6.942 -9.040 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.442 7.053 -8.304 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.383 6.155 -10.008 1.00 0.00 O ATOM 0 H ASP A 39 6.150 8.242 -6.264 1.00 0.00 H new ATOM 0 HA ASP A 39 7.578 9.458 -8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.553 7.267 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.686 7.994 -9.671 1.00 0.00 H new ATOM 561 N GLN A 40 4.704 10.523 -7.512 1.00 0.00 N ATOM 562 CA GLN A 40 3.666 11.524 -7.732 1.00 0.00 C ATOM 563 C GLN A 40 4.113 12.892 -7.227 1.00 0.00 C ATOM 564 O GLN A 40 4.225 13.843 -8.000 1.00 0.00 O ATOM 565 CB GLN A 40 2.371 11.108 -7.033 1.00 0.00 C ATOM 566 CG GLN A 40 1.633 9.982 -7.740 1.00 0.00 C ATOM 567 CD GLN A 40 0.944 10.443 -9.010 1.00 0.00 C ATOM 568 OE1 GLN A 40 -0.241 10.776 -9.001 1.00 0.00 O ATOM 569 NE2 GLN A 40 1.686 10.465 -10.111 1.00 0.00 N ATOM 0 H GLN A 40 4.695 10.102 -6.583 1.00 0.00 H new ATOM 0 HA GLN A 40 3.486 11.594 -8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.602 10.797 -6.014 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.713 11.974 -6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.338 9.186 -7.982 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.892 9.557 -7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.665 10.180 -10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.277 10.767 -10.996 1.00 0.00 H new ATOM 578 N GLN A 41 4.367 12.983 -5.925 1.00 0.00 N ATOM 579 CA GLN A 41 4.800 14.235 -5.317 1.00 0.00 C ATOM 580 C GLN A 41 6.264 14.518 -5.640 1.00 0.00 C ATOM 581 O GLN A 41 6.662 15.671 -5.800 1.00 0.00 O ATOM 582 CB GLN A 41 4.600 14.187 -3.801 1.00 0.00 C ATOM 583 CG GLN A 41 3.163 13.919 -3.386 1.00 0.00 C ATOM 584 CD GLN A 41 2.848 14.447 -2.000 1.00 0.00 C ATOM 585 OE1 GLN A 41 3.593 15.256 -1.447 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.738 13.990 -1.431 1.00 0.00 N ATOM 0 H GLN A 41 4.280 12.205 -5.272 1.00 0.00 H new ATOM 0 HA GLN A 41 4.193 15.040 -5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.241 13.411 -3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.923 15.134 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.488 14.379 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.975 12.846 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.150 13.320 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.474 14.309 -0.499 1.00 0.00 H new ATOM 595 N GLY A 42 7.061 13.458 -5.734 1.00 0.00 N ATOM 596 CA GLY A 42 8.471 13.614 -6.036 1.00 0.00 C ATOM 597 C GLY A 42 9.339 13.565 -4.795 1.00 0.00 C ATOM 598 O GLY A 42 10.556 13.740 -4.871 1.00 0.00 O ATOM 0 H GLY A 42 6.755 12.494 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.781 12.827 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.627 14.564 -6.547 1.00 0.00 H new ATOM 602 N LEU A 43 8.714 13.328 -3.647 1.00 0.00 N ATOM 603 CA LEU A 43 9.438 13.258 -2.382 1.00 0.00 C ATOM 604 C LEU A 43 10.009 11.861 -2.158 1.00 0.00 C ATOM 605 O LEU A 43 9.366 10.849 -2.434 1.00 0.00 O ATOM 606 CB LEU A 43 8.515 13.635 -1.222 1.00 0.00 C ATOM 607 CG LEU A 43 9.183 14.310 -0.024 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.198 15.218 0.695 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.746 13.267 0.930 1.00 0.00 C ATOM 0 H LEU A 43 7.708 13.181 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 43 10.265 13.966 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.740 14.300 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.016 12.731 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 43 10.008 14.922 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.691 15.690 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.844 15.987 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.351 14.629 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.218 13.765 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.939 12.628 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.485 12.659 0.409 1.00 0.00 H new ATOM 621 N PRO A 44 11.247 11.804 -1.644 1.00 0.00 N ATOM 622 CA PRO A 44 11.932 10.537 -1.369 1.00 0.00 C ATOM 623 C PRO A 44 11.306 9.781 -0.202 1.00 0.00 C ATOM 624 O PRO A 44 10.717 10.383 0.696 1.00 0.00 O ATOM 625 CB PRO A 44 13.357 10.972 -1.022 1.00 0.00 C ATOM 626 CG PRO A 44 13.216 12.368 -0.521 1.00 0.00 C ATOM 627 CD PRO A 44 12.073 12.970 -1.292 1.00 0.00 C ATOM 0 HA PRO A 44 11.875 9.851 -2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.796 10.322 -0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.008 10.929 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.014 12.380 0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.134 12.934 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.517 13.689 -0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.421 13.498 -2.180 1.00 0.00 H new ATOM 635 N LYS A 45 11.437 8.459 -0.221 1.00 0.00 N ATOM 636 CA LYS A 45 10.886 7.620 0.837 1.00 0.00 C ATOM 637 C LYS A 45 11.679 7.784 2.129 1.00 0.00 C ATOM 638 O LYS A 45 11.121 7.714 3.225 1.00 0.00 O ATOM 639 CB LYS A 45 10.891 6.152 0.405 1.00 0.00 C ATOM 640 CG LYS A 45 10.190 5.904 -0.919 1.00 0.00 C ATOM 641 CD LYS A 45 10.575 4.559 -1.511 1.00 0.00 C ATOM 642 CE LYS A 45 11.807 4.672 -2.396 1.00 0.00 C ATOM 643 NZ LYS A 45 12.987 5.177 -1.642 1.00 0.00 N ATOM 0 H LYS A 45 11.920 7.945 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 45 9.859 7.935 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.923 5.808 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.410 5.553 1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.111 5.942 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.445 6.698 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.767 3.848 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.742 4.165 -2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.039 3.696 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.595 5.341 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.843 5.065 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.850 6.183 -1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.093 4.636 -0.760 1.00 0.00 H new ATOM 657 N LYS A 46 12.983 8.003 1.995 1.00 0.00 N ATOM 658 CA LYS A 46 13.853 8.180 3.152 1.00 0.00 C ATOM 659 C LYS A 46 13.464 9.427 3.939 1.00 0.00 C ATOM 660 O LYS A 46 13.976 9.665 5.033 1.00 0.00 O ATOM 661 CB LYS A 46 15.313 8.279 2.707 1.00 0.00 C ATOM 662 CG LYS A 46 15.529 9.216 1.531 1.00 0.00 C ATOM 663 CD LYS A 46 16.928 9.809 1.539 1.00 0.00 C ATOM 664 CE LYS A 46 17.136 10.763 0.373 1.00 0.00 C ATOM 665 NZ LYS A 46 18.580 10.971 0.078 1.00 0.00 N ATOM 0 H LYS A 46 13.461 8.062 1.096 1.00 0.00 H new ATOM 0 HA LYS A 46 13.736 7.312 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.918 8.619 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.670 7.285 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.368 8.674 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.793 10.019 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.095 10.338 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.665 9.007 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.638 10.368 -0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.670 11.722 0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.680 11.627 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.051 11.371 0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.020 10.060 -0.164 1.00 0.00 H new ATOM 679 N GLN A 47 12.556 10.218 3.376 1.00 0.00 N ATOM 680 CA GLN A 47 12.099 11.440 4.027 1.00 0.00 C ATOM 681 C GLN A 47 10.679 11.276 4.558 1.00 0.00 C ATOM 682 O GLN A 47 10.403 11.571 5.720 1.00 0.00 O ATOM 683 CB GLN A 47 12.159 12.616 3.051 1.00 0.00 C ATOM 684 CG GLN A 47 13.568 13.134 2.808 1.00 0.00 C ATOM 685 CD GLN A 47 13.601 14.306 1.847 1.00 0.00 C ATOM 686 OE1 GLN A 47 12.566 14.892 1.528 1.00 0.00 O ATOM 687 NE2 GLN A 47 14.794 14.655 1.380 1.00 0.00 N ATOM 0 H GLN A 47 12.123 10.035 2.471 1.00 0.00 H new ATOM 0 HA GLN A 47 12.761 11.642 4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.724 12.310 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.543 13.429 3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.009 13.436 3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.185 12.327 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.626 14.141 1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.879 15.437 0.730 1.00 0.00 H new ATOM 696 N GLN A 48 9.782 10.804 3.697 1.00 0.00 N ATOM 697 CA GLN A 48 8.389 10.603 4.080 1.00 0.00 C ATOM 698 C GLN A 48 8.253 9.421 5.034 1.00 0.00 C ATOM 699 O GLN A 48 8.963 8.424 4.907 1.00 0.00 O ATOM 700 CB GLN A 48 7.525 10.374 2.839 1.00 0.00 C ATOM 701 CG GLN A 48 7.434 8.915 2.422 1.00 0.00 C ATOM 702 CD GLN A 48 6.790 8.736 1.061 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.598 8.445 0.959 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.577 8.910 0.006 1.00 0.00 N ATOM 0 H GLN A 48 9.995 10.554 2.731 1.00 0.00 H new ATOM 0 HA GLN A 48 8.045 11.502 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.521 10.752 3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.931 10.955 2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.434 8.483 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.860 8.363 3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.560 9.151 0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.199 8.803 -0.935 1.00 0.00 H new ATOM 713 N GLN A 49 7.336 9.541 5.990 1.00 0.00 N ATOM 714 CA GLN A 49 7.108 8.482 6.966 1.00 0.00 C ATOM 715 C GLN A 49 5.634 8.402 7.348 1.00 0.00 C ATOM 716 O GLN A 49 5.084 9.333 7.939 1.00 0.00 O ATOM 717 CB GLN A 49 7.960 8.718 8.215 1.00 0.00 C ATOM 718 CG GLN A 49 8.068 7.500 9.117 1.00 0.00 C ATOM 719 CD GLN A 49 8.736 7.812 10.442 1.00 0.00 C ATOM 720 OE1 GLN A 49 8.013 7.595 11.534 1.00 0.00 O flip ATOM 721 NE2 GLN A 49 9.888 8.244 10.483 1.00 0.00 N flip ATOM 0 H GLN A 49 6.740 10.360 6.109 1.00 0.00 H new ATOM 0 HA GLN A 49 7.398 7.535 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.961 9.023 7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.534 9.545 8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.071 7.100 9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.633 6.722 8.604 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.407 8.396 9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.324 8.450 11.382 1.00 0.00 H new ATOM 730 N LEU A 50 4.999 7.286 7.008 1.00 0.00 N ATOM 731 CA LEU A 50 3.588 7.085 7.315 1.00 0.00 C ATOM 732 C LEU A 50 3.414 6.479 8.705 1.00 0.00 C ATOM 733 O LEU A 50 4.044 5.476 9.037 1.00 0.00 O ATOM 734 CB LEU A 50 2.941 6.178 6.267 1.00 0.00 C ATOM 735 CG LEU A 50 2.943 6.705 4.831 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.379 5.661 3.879 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.150 8.000 4.737 1.00 0.00 C ATOM 0 H LEU A 50 5.439 6.506 6.519 1.00 0.00 H new ATOM 0 HA LEU A 50 3.096 8.058 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.454 5.217 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.909 5.992 6.563 1.00 0.00 H new ATOM 0 HG LEU A 50 3.973 6.912 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.388 6.053 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.989 4.759 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.355 5.422 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.162 8.360 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.120 7.819 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.598 8.749 5.389 1.00 0.00 H new ATOM 749 N GLU A 51 2.553 7.095 9.510 1.00 0.00 N ATOM 750 CA GLU A 51 2.296 6.614 10.862 1.00 0.00 C ATOM 751 C GLU A 51 0.831 6.224 11.031 1.00 0.00 C ATOM 752 O GLU A 51 -0.026 6.627 10.244 1.00 0.00 O ATOM 753 CB GLU A 51 2.671 7.686 11.888 1.00 0.00 C ATOM 754 CG GLU A 51 4.162 7.973 11.951 1.00 0.00 C ATOM 755 CD GLU A 51 4.636 8.855 10.813 1.00 0.00 C ATOM 756 OE1 GLU A 51 3.829 9.674 10.323 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.811 8.728 10.412 1.00 0.00 O ATOM 0 H GLU A 51 2.023 7.927 9.249 1.00 0.00 H new ATOM 0 HA GLU A 51 2.911 5.730 11.029 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.142 8.608 11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.328 7.370 12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.395 8.455 12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.710 7.031 11.928 1.00 0.00 H new ATOM 764 N PHE A 52 0.550 5.435 12.063 1.00 0.00 N ATOM 765 CA PHE A 52 -0.811 4.988 12.336 1.00 0.00 C ATOM 766 C PHE A 52 -1.022 4.769 13.831 1.00 0.00 C ATOM 767 O PHE A 52 -0.220 4.109 14.491 1.00 0.00 O ATOM 768 CB PHE A 52 -1.108 3.695 11.573 1.00 0.00 C ATOM 769 CG PHE A 52 -2.575 3.441 11.372 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.368 4.367 10.714 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.160 2.276 11.841 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.718 4.137 10.529 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.510 2.040 11.658 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.289 2.971 11.000 1.00 0.00 C ATOM 0 H PHE A 52 1.247 5.092 12.724 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.497 5.766 12.000 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.618 3.736 10.600 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.673 2.855 12.114 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.926 5.279 10.341 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.555 1.544 12.355 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.326 4.868 10.017 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.955 1.129 12.029 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.343 2.788 10.854 1.00 0.00 H new ATOM 784 N GLN A 53 -2.107 5.328 14.358 1.00 0.00 N ATOM 785 CA GLN A 53 -2.423 5.195 15.775 1.00 0.00 C ATOM 786 C GLN A 53 -1.192 5.462 16.635 1.00 0.00 C ATOM 787 O GLN A 53 -1.069 4.938 17.741 1.00 0.00 O ATOM 788 CB GLN A 53 -2.971 3.798 16.068 1.00 0.00 C ATOM 789 CG GLN A 53 -4.472 3.677 15.862 1.00 0.00 C ATOM 790 CD GLN A 53 -4.968 2.251 16.000 1.00 0.00 C ATOM 791 OE1 GLN A 53 -4.670 1.571 16.982 1.00 0.00 O ATOM 792 NE2 GLN A 53 -5.729 1.790 15.014 1.00 0.00 N ATOM 0 H GLN A 53 -2.781 5.877 13.825 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.184 5.935 16.023 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.465 3.077 15.426 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.731 3.531 17.097 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.986 4.308 16.587 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.730 4.053 14.872 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.951 2.389 14.219 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.091 0.837 15.052 1.00 0.00 H new ATOM 801 N GLY A 54 -0.282 6.282 16.118 1.00 0.00 N ATOM 802 CA GLY A 54 0.928 6.604 16.851 1.00 0.00 C ATOM 803 C GLY A 54 1.982 5.521 16.735 1.00 0.00 C ATOM 804 O GLY A 54 2.609 5.148 17.727 1.00 0.00 O ATOM 0 H GLY A 54 -0.361 6.729 15.205 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.335 7.544 16.479 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.683 6.757 17.902 1.00 0.00 H new ATOM 808 N GLN A 55 2.176 5.013 15.522 1.00 0.00 N ATOM 809 CA GLN A 55 3.160 3.964 15.282 1.00 0.00 C ATOM 810 C GLN A 55 3.887 4.192 13.961 1.00 0.00 C ATOM 811 O GLN A 55 3.331 4.769 13.026 1.00 0.00 O ATOM 812 CB GLN A 55 2.483 2.593 15.276 1.00 0.00 C ATOM 813 CG GLN A 55 1.903 2.207 13.925 1.00 0.00 C ATOM 814 CD GLN A 55 0.851 1.121 14.030 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.552 0.633 15.121 1.00 0.00 O ATOM 816 NE2 GLN A 55 0.282 0.735 12.894 1.00 0.00 N ATOM 0 H GLN A 55 1.665 5.311 14.691 1.00 0.00 H new ATOM 0 HA GLN A 55 3.893 3.996 16.089 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.208 1.838 15.580 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.686 2.587 16.019 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.464 3.088 13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.707 1.867 13.273 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.560 1.166 12.012 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.433 0.007 12.903 1.00 0.00 H new ATOM 825 N VAL A 56 5.133 3.735 13.890 1.00 0.00 N ATOM 826 CA VAL A 56 5.936 3.888 12.682 1.00 0.00 C ATOM 827 C VAL A 56 5.736 2.709 11.737 1.00 0.00 C ATOM 828 O VAL A 56 5.836 1.550 12.142 1.00 0.00 O ATOM 829 CB VAL A 56 7.434 4.016 13.017 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.218 4.468 11.794 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.640 4.976 14.178 1.00 0.00 C ATOM 0 H VAL A 56 5.609 3.256 14.655 1.00 0.00 H new ATOM 0 HA VAL A 56 5.602 4.803 12.192 1.00 0.00 H new ATOM 0 HB VAL A 56 7.807 3.036 13.316 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.274 4.553 12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.096 3.738 10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.846 5.437 11.461 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.704 5.054 14.401 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.252 5.959 13.911 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.112 4.604 15.056 1.00 0.00 H new ATOM 841 N LEU A 57 5.455 3.012 10.474 1.00 0.00 N ATOM 842 CA LEU A 57 5.242 1.977 9.468 1.00 0.00 C ATOM 843 C LEU A 57 6.519 1.716 8.676 1.00 0.00 C ATOM 844 O LEU A 57 7.316 2.626 8.449 1.00 0.00 O ATOM 845 CB LEU A 57 4.114 2.385 8.519 1.00 0.00 C ATOM 846 CG LEU A 57 2.822 2.869 9.180 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.886 3.472 8.144 1.00 0.00 C ATOM 848 CD2 LEU A 57 2.140 1.725 9.917 1.00 0.00 C ATOM 0 H LEU A 57 5.369 3.966 10.122 1.00 0.00 H new ATOM 0 HA LEU A 57 4.961 1.058 9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.483 3.176 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.876 1.533 7.883 1.00 0.00 H new ATOM 0 HG LEU A 57 3.074 3.643 9.905 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.972 3.811 8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.375 4.318 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.639 2.720 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.223 2.087 10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.900 0.929 9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.808 1.338 10.687 1.00 0.00 H new ATOM 860 N GLN A 58 6.704 0.468 8.257 1.00 0.00 N ATOM 861 CA GLN A 58 7.884 0.089 7.489 1.00 0.00 C ATOM 862 C GLN A 58 7.569 0.036 5.998 1.00 0.00 C ATOM 863 O GLN A 58 6.466 0.383 5.574 1.00 0.00 O ATOM 864 CB GLN A 58 8.410 -1.268 7.959 1.00 0.00 C ATOM 865 CG GLN A 58 8.935 -1.256 9.386 1.00 0.00 C ATOM 866 CD GLN A 58 9.880 -0.100 9.650 1.00 0.00 C ATOM 867 OE1 GLN A 58 11.056 -0.149 9.287 1.00 0.00 O ATOM 868 NE2 GLN A 58 9.370 0.949 10.284 1.00 0.00 N ATOM 0 H GLN A 58 6.053 -0.296 8.436 1.00 0.00 H new ATOM 0 HA GLN A 58 8.652 0.845 7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.611 -2.005 7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.208 -1.591 7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.095 -1.199 10.078 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.450 -2.195 9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.390 0.947 10.567 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.958 1.757 10.488 1.00 0.00 H new ATOM 877 N ASP A 59 8.543 -0.400 5.207 1.00 0.00 N ATOM 878 CA ASP A 59 8.370 -0.499 3.763 1.00 0.00 C ATOM 879 C ASP A 59 8.310 -1.958 3.321 1.00 0.00 C ATOM 880 O ASP A 59 7.686 -2.286 2.312 1.00 0.00 O ATOM 881 CB ASP A 59 9.510 0.220 3.040 1.00 0.00 C ATOM 882 CG ASP A 59 9.991 1.445 3.792 1.00 0.00 C ATOM 883 OD1 ASP A 59 9.279 2.470 3.774 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.080 1.378 4.400 1.00 0.00 O ATOM 0 H ASP A 59 9.461 -0.691 5.542 1.00 0.00 H new ATOM 0 HA ASP A 59 7.426 -0.020 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.343 -0.470 2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.176 0.516 2.045 1.00 0.00 H new ATOM 889 N TRP A 60 8.965 -2.828 4.082 1.00 0.00 N ATOM 890 CA TRP A 60 8.987 -4.252 3.768 1.00 0.00 C ATOM 891 C TRP A 60 7.744 -4.948 4.310 1.00 0.00 C ATOM 892 O TRP A 60 7.283 -5.943 3.748 1.00 0.00 O ATOM 893 CB TRP A 60 10.245 -4.903 4.347 1.00 0.00 C ATOM 894 CG TRP A 60 10.086 -5.335 5.774 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.429 -6.443 6.226 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.594 -4.666 6.933 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.497 -6.503 7.597 1.00 0.00 N ATOM 898 CE2 TRP A 60 10.207 -5.425 8.055 1.00 0.00 C ATOM 899 CE3 TRP A 60 11.339 -3.501 7.133 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.540 -5.054 9.355 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.669 -3.134 8.424 1.00 0.00 C ATOM 902 CH2 TRP A 60 11.270 -3.908 9.521 1.00 0.00 C ATOM 0 H TRP A 60 9.487 -2.572 4.920 1.00 0.00 H new ATOM 0 HA TRP A 60 8.997 -4.360 2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.510 -5.769 3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.075 -4.199 4.278 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.929 -7.166 5.598 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.085 -7.232 8.179 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.652 -2.898 6.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.233 -5.649 10.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.244 -2.235 8.590 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.544 -3.594 10.518 1.00 0.00 H new ATOM 913 N LEU A 61 7.204 -4.420 5.403 1.00 0.00 N ATOM 914 CA LEU A 61 6.012 -4.992 6.020 1.00 0.00 C ATOM 915 C LEU A 61 4.822 -4.929 5.068 1.00 0.00 C ATOM 916 O LEU A 61 4.920 -4.379 3.972 1.00 0.00 O ATOM 917 CB LEU A 61 5.682 -4.252 7.317 1.00 0.00 C ATOM 918 CG LEU A 61 6.722 -4.356 8.433 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.386 -3.399 9.567 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.812 -5.785 8.947 1.00 0.00 C ATOM 0 H LEU A 61 7.572 -3.597 5.880 1.00 0.00 H new ATOM 0 HA LEU A 61 6.216 -6.038 6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.534 -3.198 7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.733 -4.630 7.696 1.00 0.00 H new ATOM 0 HG LEU A 61 7.693 -4.076 8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.137 -3.487 10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.374 -2.377 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.405 -3.647 9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.557 -5.840 9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.842 -6.093 9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.101 -6.448 8.131 1.00 0.00 H new ATOM 932 N GLY A 62 3.698 -5.495 5.496 1.00 0.00 N ATOM 933 CA GLY A 62 2.504 -5.491 4.670 1.00 0.00 C ATOM 934 C GLY A 62 1.365 -4.717 5.302 1.00 0.00 C ATOM 935 O GLY A 62 1.339 -4.518 6.518 1.00 0.00 O ATOM 0 H GLY A 62 3.592 -5.956 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.739 -5.057 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.186 -6.518 4.491 1.00 0.00 H new ATOM 939 N LEU A 63 0.421 -4.277 4.478 1.00 0.00 N ATOM 940 CA LEU A 63 -0.727 -3.518 4.963 1.00 0.00 C ATOM 941 C LEU A 63 -1.552 -4.346 5.943 1.00 0.00 C ATOM 942 O LEU A 63 -2.086 -3.821 6.919 1.00 0.00 O ATOM 943 CB LEU A 63 -1.602 -3.073 3.790 1.00 0.00 C ATOM 944 CG LEU A 63 -1.187 -1.775 3.097 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.013 -2.012 2.194 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.350 -1.200 2.302 1.00 0.00 C ATOM 0 H LEU A 63 0.428 -4.433 3.470 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.355 -2.636 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.612 -3.871 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.625 -2.959 4.149 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.903 -1.052 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.294 -1.077 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.850 -2.378 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.243 -2.751 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.037 -0.276 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.665 -1.919 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.182 -0.992 2.974 1.00 0.00 H new ATOM 958 N GLY A 64 -1.650 -5.645 5.677 1.00 0.00 N ATOM 959 CA GLY A 64 -2.409 -6.525 6.545 1.00 0.00 C ATOM 960 C GLY A 64 -1.685 -6.827 7.842 1.00 0.00 C ATOM 961 O GLY A 64 -2.313 -7.147 8.852 1.00 0.00 O ATOM 0 H GLY A 64 -1.217 -6.103 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.372 -6.067 6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.614 -7.459 6.021 1.00 0.00 H new ATOM 965 N ILE A 65 -0.360 -6.727 7.814 1.00 0.00 N ATOM 966 CA ILE A 65 0.450 -6.993 8.997 1.00 0.00 C ATOM 967 C ILE A 65 0.044 -6.089 10.156 1.00 0.00 C ATOM 968 O ILE A 65 -0.026 -6.529 11.304 1.00 0.00 O ATOM 969 CB ILE A 65 1.950 -6.795 8.707 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.406 -7.739 7.593 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.767 -7.023 9.970 1.00 0.00 C ATOM 972 CD1 ILE A 65 2.192 -9.201 7.914 1.00 0.00 C ATOM 0 H ILE A 65 0.175 -6.464 6.986 1.00 0.00 H new ATOM 0 HA ILE A 65 0.275 -8.033 9.273 1.00 0.00 H new ATOM 0 HB ILE A 65 2.109 -5.769 8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.868 -7.494 6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.465 -7.570 7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.825 -6.880 9.750 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.457 -6.314 10.737 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.606 -8.039 10.329 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.538 -9.811 7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.752 -9.462 8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.131 -9.385 8.082 1.00 0.00 H new ATOM 984 N TYR A 66 -0.225 -4.826 9.847 1.00 0.00 N ATOM 985 CA TYR A 66 -0.624 -3.859 10.864 1.00 0.00 C ATOM 986 C TYR A 66 -2.126 -3.928 11.120 1.00 0.00 C ATOM 987 O TYR A 66 -2.574 -3.896 12.266 1.00 0.00 O ATOM 988 CB TYR A 66 -0.233 -2.444 10.433 1.00 0.00 C ATOM 989 CG TYR A 66 1.188 -2.073 10.793 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.601 -2.026 12.119 1.00 0.00 C ATOM 991 CD2 TYR A 66 2.118 -1.770 9.806 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.898 -1.687 12.452 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.418 -1.431 10.130 1.00 0.00 C ATOM 994 CZ TYR A 66 3.803 -1.390 11.454 1.00 0.00 C ATOM 995 OH TYR A 66 5.096 -1.053 11.781 1.00 0.00 O ATOM 0 H TYR A 66 -0.174 -4.447 8.901 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.104 -4.106 11.789 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.361 -2.353 9.354 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.915 -1.731 10.896 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.896 -2.259 12.903 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.820 -1.800 8.768 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.202 -1.655 13.488 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.129 -1.199 9.351 1.00 0.00 H new ATOM 0 HH TYR A 66 5.165 -0.081 11.883 1.00 0.00 H new ATOM 1005 N GLY A 67 -2.900 -4.023 10.043 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.344 -4.095 10.172 1.00 0.00 C ATOM 1007 C GLY A 67 -5.037 -2.862 9.627 1.00 0.00 C ATOM 1008 O GLY A 67 -6.080 -2.452 10.138 1.00 0.00 O ATOM 0 H GLY A 67 -2.553 -4.051 9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.709 -4.976 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.606 -4.221 11.223 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.457 -2.269 8.589 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.025 -1.075 7.976 1.00 0.00 C ATOM 1014 C ILE A 68 -6.293 -1.408 7.197 1.00 0.00 C ATOM 1015 O ILE A 68 -6.391 -2.467 6.578 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.018 -0.394 7.031 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.752 -0.002 7.795 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.648 0.827 6.377 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.549 0.208 6.903 1.00 0.00 C ATOM 0 H ILE A 68 -3.594 -2.596 8.155 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.270 -0.389 8.787 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.742 -1.100 6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.944 0.914 8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.522 -0.779 8.524 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.924 1.298 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.523 0.522 5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.949 1.538 7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.688 0.484 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.331 -0.713 6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.759 1.005 6.190 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.259 -0.495 7.231 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.520 -0.692 6.526 1.00 0.00 C ATOM 1033 C GLN A 69 -8.742 0.405 5.490 1.00 0.00 C ATOM 1034 O GLN A 69 -8.084 1.445 5.523 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.684 -0.717 7.518 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.542 -1.778 8.597 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.832 -2.014 9.357 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -10.999 -1.539 10.481 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -11.752 -2.751 8.747 1.00 0.00 N ATOM 0 H GLN A 69 -7.192 0.387 7.739 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.472 -1.650 6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.768 0.261 7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.612 -0.888 6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.217 -2.713 8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.762 -1.477 9.297 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.571 -3.124 7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.640 -2.944 9.210 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.672 0.166 4.573 1.00 0.00 N ATOM 1049 CA ASP A 70 -9.981 1.135 3.527 1.00 0.00 C ATOM 1050 C ASP A 70 -10.513 2.432 4.129 1.00 0.00 C ATOM 1051 O ASP A 70 -10.959 2.459 5.276 1.00 0.00 O ATOM 1052 CB ASP A 70 -11.005 0.554 2.551 1.00 0.00 C ATOM 1053 CG ASP A 70 -11.885 1.622 1.932 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.858 2.044 2.591 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -11.602 2.034 0.787 1.00 0.00 O ATOM 0 H ASP A 70 -10.225 -0.690 4.532 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.061 1.356 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.484 0.014 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.630 -0.170 3.073 1.00 0.00 H new ATOM 1060 N SER A 71 -10.461 3.506 3.347 1.00 0.00 N ATOM 1061 CA SER A 71 -10.932 4.808 3.804 1.00 0.00 C ATOM 1062 C SER A 71 -10.263 5.197 5.119 1.00 0.00 C ATOM 1063 O SER A 71 -10.906 5.739 6.018 1.00 0.00 O ATOM 1064 CB SER A 71 -12.452 4.791 3.978 1.00 0.00 C ATOM 1065 OG SER A 71 -12.822 4.126 5.173 1.00 0.00 O ATOM 0 H SER A 71 -10.097 3.500 2.394 1.00 0.00 H new ATOM 0 HA SER A 71 -10.667 5.548 3.049 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.830 5.813 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.913 4.294 3.124 1.00 0.00 H new ATOM 0 HG SER A 71 -12.079 3.565 5.478 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.969 4.917 5.222 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.210 5.239 6.425 1.00 0.00 C ATOM 1073 C ASP A 72 -7.419 6.530 6.240 1.00 0.00 C ATOM 1074 O ASP A 72 -7.313 7.053 5.131 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.263 4.091 6.778 1.00 0.00 C ATOM 1076 CG ASP A 72 -7.936 3.021 7.615 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -9.180 2.925 7.567 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.218 2.279 8.317 1.00 0.00 O ATOM 0 H ASP A 72 -8.423 4.468 4.487 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.916 5.382 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.881 3.644 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.404 4.486 7.321 1.00 0.00 H new ATOM 1083 N THR A 73 -6.866 7.041 7.336 1.00 0.00 N ATOM 1084 CA THR A 73 -6.087 8.272 7.296 1.00 0.00 C ATOM 1085 C THR A 73 -4.633 8.014 7.673 1.00 0.00 C ATOM 1086 O THR A 73 -4.341 7.531 8.768 1.00 0.00 O ATOM 1087 CB THR A 73 -6.670 9.337 8.243 1.00 0.00 C ATOM 1088 OG1 THR A 73 -7.976 9.724 7.800 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.767 10.560 8.305 1.00 0.00 C ATOM 0 H THR A 73 -6.943 6.621 8.262 1.00 0.00 H new ATOM 0 HA THR A 73 -6.134 8.643 6.272 1.00 0.00 H new ATOM 0 HB THR A 73 -6.738 8.905 9.241 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.341 10.400 8.408 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.200 11.298 8.980 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.783 10.267 8.670 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.671 10.992 7.309 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.723 8.341 6.762 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.297 8.145 6.999 1.00 0.00 C ATOM 1099 C LEU A 74 -1.576 9.485 7.112 1.00 0.00 C ATOM 1100 O LEU A 74 -1.662 10.324 6.216 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.681 7.314 5.873 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.375 5.988 5.560 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.932 5.460 4.205 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.090 4.967 6.652 1.00 0.00 C ATOM 0 H LEU A 74 -3.947 8.743 5.852 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.180 7.609 7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.671 7.919 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.642 7.106 6.129 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.450 6.162 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.436 4.516 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.188 6.184 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.854 5.301 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.592 4.029 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.015 4.797 6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.459 5.343 7.607 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.863 9.676 8.217 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.124 10.911 8.444 1.00 0.00 C ATOM 1118 C ILE A 75 1.211 10.897 7.707 1.00 0.00 C ATOM 1119 O ILE A 75 2.031 9.998 7.903 1.00 0.00 O ATOM 1120 CB ILE A 75 0.134 11.145 9.945 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.151 10.921 10.746 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.672 12.549 10.177 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.333 11.706 10.223 1.00 0.00 C ATOM 0 H ILE A 75 -0.782 8.991 8.969 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.741 11.723 8.058 1.00 0.00 H new ATOM 0 HB ILE A 75 0.882 10.430 10.287 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.396 9.859 10.734 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.974 11.196 11.786 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.849 12.699 11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.608 12.675 9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.055 13.280 9.823 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.208 11.499 10.838 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.107 12.772 10.260 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.536 11.414 9.193 1.00 0.00 H new ATOM 1135 N LEU A 76 1.424 11.898 6.861 1.00 0.00 N ATOM 1136 CA LEU A 76 2.661 12.003 6.095 1.00 0.00 C ATOM 1137 C LEU A 76 3.533 13.138 6.621 1.00 0.00 C ATOM 1138 O LEU A 76 3.099 14.288 6.687 1.00 0.00 O ATOM 1139 CB LEU A 76 2.350 12.227 4.614 1.00 0.00 C ATOM 1140 CG LEU A 76 3.554 12.474 3.705 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.110 11.157 3.186 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.172 13.387 2.549 1.00 0.00 C ATOM 0 H LEU A 76 0.756 12.649 6.688 1.00 0.00 H new ATOM 0 HA LEU A 76 3.209 11.067 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.811 11.356 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.676 13.079 4.530 1.00 0.00 H new ATOM 0 HG LEU A 76 4.331 12.967 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.966 11.353 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.423 10.538 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.340 10.635 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.042 13.552 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.378 12.922 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.823 14.343 2.940 1.00 0.00 H new ATOM 1154 N SER A 77 4.766 12.808 6.992 1.00 0.00 N ATOM 1155 CA SER A 77 5.699 13.800 7.513 1.00 0.00 C ATOM 1156 C SER A 77 7.124 13.496 7.061 1.00 0.00 C ATOM 1157 O SER A 77 7.505 12.335 6.905 1.00 0.00 O ATOM 1158 CB SER A 77 5.634 13.838 9.041 1.00 0.00 C ATOM 1159 OG SER A 77 4.430 14.439 9.485 1.00 0.00 O ATOM 0 H SER A 77 5.142 11.861 6.941 1.00 0.00 H new ATOM 0 HA SER A 77 5.412 14.775 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.706 12.825 9.437 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.487 14.394 9.431 1.00 0.00 H new ATOM 0 HG SER A 77 4.412 14.450 10.465 1.00 0.00 H new ATOM 1165 N LYS A 78 7.909 14.548 6.851 1.00 0.00 N ATOM 1166 CA LYS A 78 9.293 14.396 6.418 1.00 0.00 C ATOM 1167 C LYS A 78 10.226 14.256 7.617 1.00 0.00 C ATOM 1168 O LYS A 78 10.072 14.951 8.621 1.00 0.00 O ATOM 1169 CB LYS A 78 9.716 15.595 5.566 1.00 0.00 C ATOM 1170 CG LYS A 78 9.837 16.888 6.354 1.00 0.00 C ATOM 1171 CD LYS A 78 9.568 18.101 5.479 1.00 0.00 C ATOM 1172 CE LYS A 78 10.820 18.545 4.740 1.00 0.00 C ATOM 1173 NZ LYS A 78 10.593 19.794 3.962 1.00 0.00 N ATOM 0 H LYS A 78 7.610 15.515 6.974 1.00 0.00 H new ATOM 0 HA LYS A 78 9.363 13.489 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.674 15.375 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.991 15.734 4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.133 16.875 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.836 16.962 6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.784 17.865 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.198 18.921 6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.626 18.705 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.144 17.752 4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.471 20.063 3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.841 19.635 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.308 20.558 4.607 1.00 0.00 H new ATOM 1187 N LYS A 79 11.194 13.353 7.504 1.00 0.00 N ATOM 1188 CA LYS A 79 12.155 13.123 8.577 1.00 0.00 C ATOM 1189 C LYS A 79 12.976 14.379 8.851 1.00 0.00 C ATOM 1190 O LYS A 79 13.588 14.943 7.944 1.00 0.00 O ATOM 1191 CB LYS A 79 13.084 11.962 8.216 1.00 0.00 C ATOM 1192 CG LYS A 79 12.354 10.740 7.689 1.00 0.00 C ATOM 1193 CD LYS A 79 13.094 9.457 8.030 1.00 0.00 C ATOM 1194 CE LYS A 79 12.470 8.253 7.341 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.385 7.079 7.340 1.00 0.00 N ATOM 0 H LYS A 79 11.334 12.768 6.680 1.00 0.00 H new ATOM 0 HA LYS A 79 11.600 12.869 9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.799 12.300 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.658 11.679 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.350 10.705 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.242 10.820 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.138 9.548 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.083 9.306 9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.540 7.988 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.214 8.515 6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.923 6.279 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.262 7.323 6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.610 6.813 8.320 1.00 0.00 H new ATOM 1209 N LYS A 80 12.985 14.812 10.107 1.00 0.00 N ATOM 1210 CA LYS A 80 13.733 16.000 10.502 1.00 0.00 C ATOM 1211 C LYS A 80 15.233 15.724 10.500 1.00 0.00 C ATOM 1212 O LYS A 80 15.831 15.481 11.548 1.00 0.00 O ATOM 1213 CB LYS A 80 13.291 16.467 11.891 1.00 0.00 C ATOM 1214 CG LYS A 80 12.083 17.387 11.867 1.00 0.00 C ATOM 1215 CD LYS A 80 12.492 18.842 11.714 1.00 0.00 C ATOM 1216 CE LYS A 80 12.809 19.477 13.060 1.00 0.00 C ATOM 1217 NZ LYS A 80 14.158 19.085 13.554 1.00 0.00 N ATOM 0 H LYS A 80 12.482 14.358 10.870 1.00 0.00 H new ATOM 0 HA LYS A 80 13.526 16.787 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.061 15.594 12.502 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.121 16.984 12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.426 17.105 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.512 17.264 12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.365 18.909 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.690 19.397 11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.756 20.562 12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.055 19.180 13.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.572 19.871 14.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.074 18.250 14.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.772 18.860 12.745 1.00 0.00 H new ATOM 1231 N GLY A 81 15.836 15.764 9.316 1.00 0.00 N ATOM 1232 CA GLY A 81 17.262 15.517 9.201 1.00 0.00 C ATOM 1233 C GLY A 81 17.571 14.100 8.764 1.00 0.00 C ATOM 1234 O GLY A 81 18.280 13.370 9.457 1.00 0.00 O ATOM 0 H GLY A 81 15.363 15.963 8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.692 16.217 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.740 15.710 10.162 1.00 0.00 H new ATOM 1238 N SER A 82 17.038 13.707 7.611 1.00 0.00 N ATOM 1239 CA SER A 82 17.257 12.365 7.085 1.00 0.00 C ATOM 1240 C SER A 82 18.747 12.048 7.007 1.00 0.00 C ATOM 1241 O SER A 82 19.486 12.673 6.248 1.00 0.00 O ATOM 1242 CB SER A 82 16.620 12.226 5.701 1.00 0.00 C ATOM 1243 OG SER A 82 17.358 12.944 4.727 1.00 0.00 O ATOM 0 H SER A 82 16.451 14.299 7.023 1.00 0.00 H new ATOM 0 HA SER A 82 16.788 11.654 7.765 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.572 11.173 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.595 12.595 5.730 1.00 0.00 H new ATOM 0 HG SER A 82 18.203 13.251 5.117 1.00 0.00 H new ATOM 1249 N GLY A 83 19.181 11.072 7.798 1.00 0.00 N ATOM 1250 CA GLY A 83 20.581 10.689 7.804 1.00 0.00 C ATOM 1251 C GLY A 83 20.890 9.607 6.788 1.00 0.00 C ATOM 1252 O GLY A 83 20.096 8.695 6.559 1.00 0.00 O ATOM 0 H GLY A 83 18.588 10.540 8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.195 11.565 7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 83 20.854 10.338 8.799 1.00 0.00 H new ATOM 1256 N PRO A 84 22.070 9.702 6.157 1.00 0.00 N ATOM 1257 CA PRO A 84 22.509 8.733 5.148 1.00 0.00 C ATOM 1258 C PRO A 84 22.832 7.372 5.755 1.00 0.00 C ATOM 1259 O PRO A 84 23.361 7.285 6.863 1.00 0.00 O ATOM 1260 CB PRO A 84 23.772 9.373 4.567 1.00 0.00 C ATOM 1261 CG PRO A 84 24.282 10.258 5.652 1.00 0.00 C ATOM 1262 CD PRO A 84 23.067 10.763 6.379 1.00 0.00 C ATOM 0 HA PRO A 84 21.735 8.537 4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 84 24.509 8.618 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 84 23.548 9.942 3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 84 24.940 9.710 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.863 11.084 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 84 23.267 10.911 7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 84 22.730 11.720 5.982 1.00 0.00 H new ATOM 1270 N SER A 85 22.511 6.311 5.021 1.00 0.00 N ATOM 1271 CA SER A 85 22.765 4.953 5.489 1.00 0.00 C ATOM 1272 C SER A 85 23.555 4.160 4.452 1.00 0.00 C ATOM 1273 O SER A 85 23.522 4.469 3.261 1.00 0.00 O ATOM 1274 CB SER A 85 21.445 4.242 5.794 1.00 0.00 C ATOM 1275 OG SER A 85 20.762 3.899 4.601 1.00 0.00 O ATOM 0 H SER A 85 22.075 6.365 4.101 1.00 0.00 H new ATOM 0 HA SER A 85 23.357 5.014 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.640 3.342 6.377 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.814 4.887 6.405 1.00 0.00 H new ATOM 0 HG SER A 85 19.923 3.444 4.824 1.00 0.00 H new ATOM 1281 N SER A 86 24.265 3.136 4.915 1.00 0.00 N ATOM 1282 CA SER A 86 25.067 2.300 4.030 1.00 0.00 C ATOM 1283 C SER A 86 24.254 1.855 2.818 1.00 0.00 C ATOM 1284 O SER A 86 23.437 0.939 2.908 1.00 0.00 O ATOM 1285 CB SER A 86 25.591 1.077 4.785 1.00 0.00 C ATOM 1286 OG SER A 86 26.101 0.104 3.889 1.00 0.00 O ATOM 0 H SER A 86 24.301 2.866 5.898 1.00 0.00 H new ATOM 0 HA SER A 86 25.913 2.891 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 86 26.374 1.382 5.479 1.00 0.00 H new ATOM 0 HB3 SER A 86 24.788 0.642 5.381 1.00 0.00 H new ATOM 0 HG SER A 86 26.431 -0.667 4.396 1.00 0.00 H new ATOM 1292 N GLY A 87 24.484 2.511 1.685 1.00 0.00 N ATOM 1293 CA GLY A 87 23.765 2.169 0.471 1.00 0.00 C ATOM 1294 C GLY A 87 24.628 1.412 -0.519 1.00 0.00 C ATOM 1295 O GLY A 87 24.151 0.504 -1.200 1.00 0.00 O ATOM 0 H GLY A 87 25.155 3.273 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 87 22.894 1.565 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 87 23.394 3.081 0.003 1.00 0.00 H new TER 1299 GLY A 87