USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 573 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+ -141:sc= 0.0113 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 8 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00584 USER MOD Single : A 16 CYS SG : rot -48:sc= -5.16! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 171:sc= 0.0372 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.0368 X(o=0.037,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 35 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-6.8!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -10! C(o=-10!,f=-21!) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0265) USER MOD Single : A 58 GLN : amide:sc= -0.0389 K(o=-0.039,f=-1.7!) USER MOD Single : A 61 TYR OH : rot -105:sc= 0.00494 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.9) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 31:sc= 0.551 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.451 9.057 -25.099 1.00 0.00 N ATOM 2 CA GLY A 1 8.169 7.988 -25.768 1.00 0.00 C ATOM 3 C GLY A 1 8.215 6.716 -24.944 1.00 0.00 C ATOM 4 O GLY A 1 7.237 6.357 -24.288 1.00 0.00 O ATOM 0 H1 GLY A 1 6.885 9.583 -25.795 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.823 8.653 -24.375 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.130 9.702 -24.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.694 7.779 -26.726 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.186 8.316 -25.982 1.00 0.00 H new ATOM 8 N SER A 2 9.354 6.032 -24.978 1.00 0.00 N ATOM 9 CA SER A 2 9.523 4.790 -24.234 1.00 0.00 C ATOM 10 C SER A 2 8.927 4.911 -22.834 1.00 0.00 C ATOM 11 O SER A 2 9.238 5.844 -22.094 1.00 0.00 O ATOM 12 CB SER A 2 11.005 4.424 -24.139 1.00 0.00 C ATOM 13 OG SER A 2 11.591 4.333 -25.427 1.00 0.00 O ATOM 0 H SER A 2 10.174 6.317 -25.513 1.00 0.00 H new ATOM 0 HA SER A 2 8.995 4.000 -24.769 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.531 5.174 -23.549 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.115 3.473 -23.618 1.00 0.00 H new ATOM 0 HG SER A 2 12.539 4.100 -25.339 1.00 0.00 H new ATOM 19 N SER A 3 8.069 3.959 -22.479 1.00 0.00 N ATOM 20 CA SER A 3 7.426 3.960 -21.170 1.00 0.00 C ATOM 21 C SER A 3 7.824 2.724 -20.369 1.00 0.00 C ATOM 22 O SER A 3 8.408 2.829 -19.292 1.00 0.00 O ATOM 23 CB SER A 3 5.906 4.014 -21.325 1.00 0.00 C ATOM 24 OG SER A 3 5.262 3.957 -20.064 1.00 0.00 O ATOM 0 H SER A 3 7.803 3.178 -23.079 1.00 0.00 H new ATOM 0 HA SER A 3 7.760 4.845 -20.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.622 4.932 -21.840 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.571 3.183 -21.946 1.00 0.00 H new ATOM 0 HG SER A 3 4.291 3.995 -20.191 1.00 0.00 H new ATOM 30 N GLY A 4 7.501 1.550 -20.905 1.00 0.00 N ATOM 31 CA GLY A 4 7.831 0.310 -20.228 1.00 0.00 C ATOM 32 C GLY A 4 6.936 -0.838 -20.651 1.00 0.00 C ATOM 33 O GLY A 4 5.933 -0.632 -21.335 1.00 0.00 O ATOM 0 H GLY A 4 7.017 1.436 -21.796 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.870 0.052 -20.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.747 0.454 -19.151 1.00 0.00 H new ATOM 37 N SER A 5 7.298 -2.050 -20.245 1.00 0.00 N ATOM 38 CA SER A 5 6.523 -3.236 -20.591 1.00 0.00 C ATOM 39 C SER A 5 5.117 -3.156 -20.004 1.00 0.00 C ATOM 40 O SER A 5 4.945 -2.993 -18.796 1.00 0.00 O ATOM 41 CB SER A 5 7.228 -4.497 -20.086 1.00 0.00 C ATOM 42 OG SER A 5 8.472 -4.682 -20.739 1.00 0.00 O ATOM 0 H SER A 5 8.123 -2.237 -19.676 1.00 0.00 H new ATOM 0 HA SER A 5 6.443 -3.284 -21.677 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.386 -4.423 -19.010 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.592 -5.366 -20.256 1.00 0.00 H new ATOM 0 HG SER A 5 8.903 -5.493 -20.398 1.00 0.00 H new ATOM 48 N SER A 6 4.114 -3.273 -20.868 1.00 0.00 N ATOM 49 CA SER A 6 2.723 -3.210 -20.438 1.00 0.00 C ATOM 50 C SER A 6 2.148 -4.611 -20.249 1.00 0.00 C ATOM 51 O SER A 6 2.822 -5.609 -20.502 1.00 0.00 O ATOM 52 CB SER A 6 1.885 -2.436 -21.458 1.00 0.00 C ATOM 53 OG SER A 6 1.950 -1.041 -21.218 1.00 0.00 O ATOM 0 H SER A 6 4.239 -3.412 -21.871 1.00 0.00 H new ATOM 0 HA SER A 6 2.689 -2.690 -19.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.242 -2.652 -22.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.848 -2.769 -21.409 1.00 0.00 H new ATOM 0 HG SER A 6 1.408 -0.569 -21.884 1.00 0.00 H new ATOM 59 N GLY A 7 0.898 -4.676 -19.803 1.00 0.00 N ATOM 60 CA GLY A 7 0.253 -5.958 -19.588 1.00 0.00 C ATOM 61 C GLY A 7 -0.904 -5.869 -18.612 1.00 0.00 C ATOM 62 O GLY A 7 -1.121 -4.830 -17.988 1.00 0.00 O ATOM 0 H GLY A 7 0.320 -3.864 -19.587 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.109 -6.344 -20.541 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.986 -6.672 -19.213 1.00 0.00 H new ATOM 66 N THR A 8 -1.650 -6.962 -18.479 1.00 0.00 N ATOM 67 CA THR A 8 -2.792 -7.002 -17.575 1.00 0.00 C ATOM 68 C THR A 8 -2.340 -7.016 -16.119 1.00 0.00 C ATOM 69 O THR A 8 -3.163 -7.052 -15.203 1.00 0.00 O ATOM 70 CB THR A 8 -3.674 -8.236 -17.839 1.00 0.00 C ATOM 71 OG1 THR A 8 -2.854 -9.396 -18.019 1.00 0.00 O ATOM 72 CG2 THR A 8 -4.543 -8.027 -19.070 1.00 0.00 C ATOM 0 H THR A 8 -1.483 -7.831 -18.986 1.00 0.00 H new ATOM 0 HA THR A 8 -3.376 -6.101 -17.763 1.00 0.00 H new ATOM 0 HB THR A 8 -4.323 -8.382 -16.976 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.423 -10.176 -18.185 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.157 -8.912 -19.236 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.188 -7.161 -18.918 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.908 -7.858 -19.939 1.00 0.00 H new ATOM 80 N LEU A 9 -1.028 -6.987 -15.911 1.00 0.00 N ATOM 81 CA LEU A 9 -0.467 -6.996 -14.565 1.00 0.00 C ATOM 82 C LEU A 9 -0.060 -5.590 -14.136 1.00 0.00 C ATOM 83 O LEU A 9 0.491 -4.824 -14.926 1.00 0.00 O ATOM 84 CB LEU A 9 0.742 -7.931 -14.502 1.00 0.00 C ATOM 85 CG LEU A 9 0.431 -9.426 -14.422 1.00 0.00 C ATOM 86 CD1 LEU A 9 1.620 -10.245 -14.901 1.00 0.00 C ATOM 87 CD2 LEU A 9 0.050 -9.816 -13.001 1.00 0.00 C ATOM 0 H LEU A 9 -0.333 -6.957 -16.657 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.234 -7.357 -13.880 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.358 -7.755 -15.384 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.342 -7.658 -13.634 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.416 -9.637 -15.075 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.380 -11.306 -14.837 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.847 -9.986 -15.935 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.486 -10.030 -14.275 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.168 -10.883 -12.963 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.877 -9.590 -12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.832 -9.254 -12.694 1.00 0.00 H new ATOM 99 N ARG A 10 -0.333 -5.259 -12.878 1.00 0.00 N ATOM 100 CA ARG A 10 0.005 -3.946 -12.343 1.00 0.00 C ATOM 101 C ARG A 10 1.399 -3.518 -12.793 1.00 0.00 C ATOM 102 O ARG A 10 2.247 -4.355 -13.100 1.00 0.00 O ATOM 103 CB ARG A 10 -0.066 -3.960 -10.815 1.00 0.00 C ATOM 104 CG ARG A 10 -1.428 -4.361 -10.272 1.00 0.00 C ATOM 105 CD ARG A 10 -1.677 -3.766 -8.896 1.00 0.00 C ATOM 106 NE ARG A 10 -3.013 -4.080 -8.396 1.00 0.00 N ATOM 107 CZ ARG A 10 -4.102 -3.398 -8.731 1.00 0.00 C ATOM 108 NH1 ARG A 10 -4.014 -2.368 -9.561 1.00 0.00 N ATOM 109 NH2 ARG A 10 -5.283 -3.745 -8.235 1.00 0.00 N ATOM 0 H ARG A 10 -0.787 -5.882 -12.211 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.719 -3.228 -12.727 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.686 -4.649 -10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.188 -2.969 -10.439 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.207 -4.030 -10.959 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.493 -5.448 -10.217 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.931 -4.144 -8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.552 -2.684 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.115 -4.866 -7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.108 -2.098 -9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.852 -1.846 -9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.355 -4.536 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.119 -3.220 -8.493 1.00 0.00 H new ATOM 123 N ASN A 11 1.627 -2.209 -12.831 1.00 0.00 N ATOM 124 CA ASN A 11 2.917 -1.670 -13.245 1.00 0.00 C ATOM 125 C ASN A 11 3.523 -0.804 -12.145 1.00 0.00 C ATOM 126 O ASN A 11 3.385 0.420 -12.156 1.00 0.00 O ATOM 127 CB ASN A 11 2.763 -0.850 -14.528 1.00 0.00 C ATOM 128 CG ASN A 11 4.014 -0.876 -15.385 1.00 0.00 C ATOM 129 OD1 ASN A 11 4.326 -1.885 -16.017 1.00 0.00 O ATOM 130 ND2 ASN A 11 4.737 0.237 -15.409 1.00 0.00 N ATOM 0 H ASN A 11 0.935 -1.502 -12.580 1.00 0.00 H new ATOM 0 HA ASN A 11 3.588 -2.507 -13.435 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.923 -1.237 -15.105 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.524 0.182 -14.270 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.590 0.279 -15.967 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.440 1.050 -14.869 1.00 0.00 H new ATOM 137 N TYR A 12 4.196 -1.447 -11.197 1.00 0.00 N ATOM 138 CA TYR A 12 4.822 -0.736 -10.088 1.00 0.00 C ATOM 139 C TYR A 12 5.979 0.128 -10.579 1.00 0.00 C ATOM 140 O TYR A 12 6.607 -0.152 -11.601 1.00 0.00 O ATOM 141 CB TYR A 12 5.321 -1.728 -9.036 1.00 0.00 C ATOM 142 CG TYR A 12 4.211 -2.467 -8.325 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.107 -1.789 -7.824 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.265 -3.845 -8.156 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.090 -2.460 -7.174 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.252 -4.525 -7.507 1.00 0.00 C ATOM 147 CZ TYR A 12 2.167 -3.828 -7.018 1.00 0.00 C ATOM 148 OH TYR A 12 1.156 -4.501 -6.371 1.00 0.00 O ATOM 0 H TYR A 12 4.322 -2.459 -11.174 1.00 0.00 H new ATOM 0 HA TYR A 12 4.073 -0.085 -9.637 1.00 0.00 H new ATOM 0 HB2 TYR A 12 5.979 -2.453 -9.516 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.920 -1.192 -8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.043 -0.718 -7.945 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.113 -4.394 -8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.239 -1.917 -6.790 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.310 -5.596 -7.383 1.00 0.00 H new ATOM 0 HH TYR A 12 1.364 -5.458 -6.347 1.00 0.00 H new ATOM 158 N PRO A 13 6.270 1.205 -9.834 1.00 0.00 N ATOM 159 CA PRO A 13 5.529 1.548 -8.617 1.00 0.00 C ATOM 160 C PRO A 13 4.109 2.017 -8.915 1.00 0.00 C ATOM 161 O PRO A 13 3.780 2.346 -10.055 1.00 0.00 O ATOM 162 CB PRO A 13 6.352 2.688 -8.011 1.00 0.00 C ATOM 163 CG PRO A 13 7.065 3.298 -9.168 1.00 0.00 C ATOM 164 CD PRO A 13 7.344 2.170 -10.123 1.00 0.00 C ATOM 0 HA PRO A 13 5.412 0.689 -7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.712 3.416 -7.512 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.054 2.316 -7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.455 4.068 -9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.991 3.777 -8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.315 2.505 -11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.330 1.736 -9.956 1.00 0.00 H new ATOM 172 N LEU A 14 3.272 2.045 -7.884 1.00 0.00 N ATOM 173 CA LEU A 14 1.886 2.474 -8.035 1.00 0.00 C ATOM 174 C LEU A 14 1.415 3.241 -6.804 1.00 0.00 C ATOM 175 O LEU A 14 1.312 2.681 -5.712 1.00 0.00 O ATOM 176 CB LEU A 14 0.980 1.264 -8.274 1.00 0.00 C ATOM 177 CG LEU A 14 0.841 0.805 -9.726 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.141 -0.543 -9.795 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.087 1.843 -10.543 1.00 0.00 C ATOM 0 H LEU A 14 3.529 1.776 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 14 1.830 3.139 -8.897 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.360 0.429 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.013 1.498 -7.891 1.00 0.00 H new ATOM 0 HG LEU A 14 1.839 0.694 -10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.051 -0.853 -10.836 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.722 -1.283 -9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.852 -0.460 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.003 1.500 -11.574 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.908 1.986 -10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.630 2.788 -10.521 1.00 0.00 H new ATOM 191 N THR A 15 1.129 4.526 -6.987 1.00 0.00 N ATOM 192 CA THR A 15 0.669 5.370 -5.891 1.00 0.00 C ATOM 193 C THR A 15 -0.759 5.018 -5.489 1.00 0.00 C ATOM 194 O THR A 15 -1.680 5.095 -6.303 1.00 0.00 O ATOM 195 CB THR A 15 0.731 6.862 -6.268 1.00 0.00 C ATOM 196 OG1 THR A 15 1.875 7.112 -7.092 1.00 0.00 O ATOM 197 CG2 THR A 15 0.797 7.732 -5.021 1.00 0.00 C ATOM 0 H THR A 15 1.208 5.005 -7.884 1.00 0.00 H new ATOM 0 HA THR A 15 1.336 5.187 -5.049 1.00 0.00 H new ATOM 0 HB THR A 15 -0.175 7.113 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.906 8.063 -7.328 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.840 8.782 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.090 7.561 -4.410 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.688 7.478 -4.447 1.00 0.00 H new ATOM 205 N CYS A 16 -0.936 4.633 -4.230 1.00 0.00 N ATOM 206 CA CYS A 16 -2.253 4.269 -3.720 1.00 0.00 C ATOM 207 C CYS A 16 -2.777 5.332 -2.760 1.00 0.00 C ATOM 208 O CYS A 16 -2.031 6.206 -2.317 1.00 0.00 O ATOM 209 CB CYS A 16 -2.193 2.913 -3.015 1.00 0.00 C ATOM 210 SG CYS A 16 -0.760 2.707 -1.932 1.00 0.00 S ATOM 0 H CYS A 16 -0.184 4.565 -3.544 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.937 4.200 -4.566 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.101 2.781 -2.427 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.183 2.124 -3.767 1.00 0.00 H new ATOM 0 HG CYS A 16 0.317 3.069 -2.564 1.00 0.00 H new ATOM 216 N LYS A 17 -4.065 5.253 -2.443 1.00 0.00 N ATOM 217 CA LYS A 17 -4.690 6.208 -1.535 1.00 0.00 C ATOM 218 C LYS A 17 -5.412 5.487 -0.401 1.00 0.00 C ATOM 219 O LYS A 17 -6.463 4.880 -0.606 1.00 0.00 O ATOM 220 CB LYS A 17 -5.676 7.096 -2.298 1.00 0.00 C ATOM 221 CG LYS A 17 -6.438 8.062 -1.407 1.00 0.00 C ATOM 222 CD LYS A 17 -5.692 9.375 -1.241 1.00 0.00 C ATOM 223 CE LYS A 17 -6.365 10.273 -0.214 1.00 0.00 C ATOM 224 NZ LYS A 17 -6.100 11.714 -0.478 1.00 0.00 N ATOM 0 H LYS A 17 -4.697 4.537 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.906 6.831 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.132 7.663 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.389 6.463 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.422 8.253 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.598 7.607 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.665 9.175 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.643 9.891 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.440 10.094 -0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.008 10.015 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.576 12.292 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.076 11.891 -0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.463 11.967 -1.419 1.00 0.00 H new ATOM 238 N VAL A 18 -4.841 5.560 0.798 1.00 0.00 N ATOM 239 CA VAL A 18 -5.432 4.918 1.966 1.00 0.00 C ATOM 240 C VAL A 18 -6.800 5.509 2.286 1.00 0.00 C ATOM 241 O VAL A 18 -6.914 6.684 2.635 1.00 0.00 O ATOM 242 CB VAL A 18 -4.523 5.056 3.202 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.148 4.366 4.404 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.140 4.490 2.912 1.00 0.00 C ATOM 0 H VAL A 18 -3.970 6.057 0.985 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.545 3.861 1.723 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.416 6.115 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.492 4.474 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.114 4.821 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.287 3.307 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.511 4.596 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.226 3.435 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.691 5.033 2.080 1.00 0.00 H new ATOM 254 N VAL A 19 -7.837 4.687 2.165 1.00 0.00 N ATOM 255 CA VAL A 19 -9.199 5.128 2.443 1.00 0.00 C ATOM 256 C VAL A 19 -9.682 4.603 3.790 1.00 0.00 C ATOM 257 O VAL A 19 -10.521 5.222 4.445 1.00 0.00 O ATOM 258 CB VAL A 19 -10.174 4.665 1.344 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.146 5.627 0.166 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.839 3.251 0.896 1.00 0.00 C ATOM 0 H VAL A 19 -7.760 3.712 1.876 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.181 6.218 2.466 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.183 4.661 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.841 5.284 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.438 6.622 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.139 5.665 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.538 2.940 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.823 3.225 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.915 2.572 1.746 1.00 0.00 H new ATOM 270 N TYR A 20 -9.147 3.458 4.199 1.00 0.00 N ATOM 271 CA TYR A 20 -9.525 2.847 5.468 1.00 0.00 C ATOM 272 C TYR A 20 -8.327 2.760 6.409 1.00 0.00 C ATOM 273 O TYR A 20 -7.382 2.010 6.162 1.00 0.00 O ATOM 274 CB TYR A 20 -10.106 1.452 5.234 1.00 0.00 C ATOM 275 CG TYR A 20 -11.543 1.466 4.763 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.871 1.895 3.483 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.572 1.048 5.597 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.182 1.910 3.048 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.886 1.059 5.171 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.186 1.491 3.896 1.00 0.00 C ATOM 281 OH TYR A 20 -15.493 1.503 3.467 1.00 0.00 O ATOM 0 H TYR A 20 -8.450 2.934 3.670 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.284 3.476 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.495 0.932 4.496 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.041 0.881 6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.087 2.223 2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.341 0.708 6.596 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.419 2.248 2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.674 0.731 5.833 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.076 1.177 4.184 1.00 0.00 H new ATOM 291 N SER A 21 -8.374 3.533 7.490 1.00 0.00 N ATOM 292 CA SER A 21 -7.292 3.546 8.467 1.00 0.00 C ATOM 293 C SER A 21 -7.011 2.139 8.986 1.00 0.00 C ATOM 294 O SER A 21 -7.900 1.289 9.020 1.00 0.00 O ATOM 295 CB SER A 21 -7.643 4.471 9.634 1.00 0.00 C ATOM 296 OG SER A 21 -8.826 4.044 10.286 1.00 0.00 O ATOM 0 H SER A 21 -9.149 4.158 7.711 1.00 0.00 H new ATOM 0 HA SER A 21 -6.394 3.918 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.818 4.491 10.347 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.773 5.490 9.268 1.00 0.00 H new ATOM 0 HG SER A 21 -9.027 4.651 11.029 1.00 0.00 H new ATOM 302 N TYR A 22 -5.767 1.902 9.387 1.00 0.00 N ATOM 303 CA TYR A 22 -5.366 0.598 9.902 1.00 0.00 C ATOM 304 C TYR A 22 -4.195 0.731 10.870 1.00 0.00 C ATOM 305 O TYR A 22 -3.108 1.171 10.494 1.00 0.00 O ATOM 306 CB TYR A 22 -4.986 -0.333 8.749 1.00 0.00 C ATOM 307 CG TYR A 22 -4.572 -1.716 9.199 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.516 -2.638 9.636 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.237 -2.102 9.188 1.00 0.00 C ATOM 310 CE1 TYR A 22 -5.142 -3.902 10.049 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.855 -3.364 9.597 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.811 -4.261 10.027 1.00 0.00 C ATOM 313 OH TYR A 22 -3.435 -5.520 10.437 1.00 0.00 O ATOM 0 H TYR A 22 -5.019 2.595 9.365 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.212 0.172 10.441 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.833 -0.420 8.069 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.169 0.116 8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.560 -2.361 9.653 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.485 -1.402 8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.888 -4.605 10.387 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.813 -3.648 9.580 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.489 -5.664 10.226 1.00 0.00 H new ATOM 323 N LYS A 23 -4.424 0.347 12.122 1.00 0.00 N ATOM 324 CA LYS A 23 -3.390 0.420 13.147 1.00 0.00 C ATOM 325 C LYS A 23 -2.534 -0.842 13.147 1.00 0.00 C ATOM 326 O LYS A 23 -2.988 -1.910 13.556 1.00 0.00 O ATOM 327 CB LYS A 23 -4.023 0.621 14.525 1.00 0.00 C ATOM 328 CG LYS A 23 -3.098 1.292 15.527 1.00 0.00 C ATOM 329 CD LYS A 23 -3.616 1.145 16.948 1.00 0.00 C ATOM 330 CE LYS A 23 -2.480 1.161 17.959 1.00 0.00 C ATOM 331 NZ LYS A 23 -2.984 1.168 19.360 1.00 0.00 N ATOM 0 H LYS A 23 -5.318 -0.018 12.451 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.749 1.272 12.921 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.926 1.222 14.417 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.331 -0.348 14.919 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.102 0.854 15.454 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.000 2.350 15.282 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.312 1.954 17.168 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.173 0.212 17.039 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.845 0.288 17.806 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.858 2.041 17.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.179 1.179 20.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.569 2.014 19.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.557 0.316 19.527 1.00 0.00 H new ATOM 345 N ALA A 24 -1.294 -0.711 12.688 1.00 0.00 N ATOM 346 CA ALA A 24 -0.374 -1.841 12.639 1.00 0.00 C ATOM 347 C ALA A 24 -0.180 -2.451 14.023 1.00 0.00 C ATOM 348 O ALA A 24 -0.072 -1.734 15.018 1.00 0.00 O ATOM 349 CB ALA A 24 0.964 -1.407 12.059 1.00 0.00 C ATOM 0 H ALA A 24 -0.903 0.166 12.345 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.808 -2.604 11.992 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.641 -2.261 12.028 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.816 -1.025 11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.395 -0.624 12.684 1.00 0.00 H new ATOM 355 N SER A 25 -0.136 -3.778 14.079 1.00 0.00 N ATOM 356 CA SER A 25 0.040 -4.484 15.343 1.00 0.00 C ATOM 357 C SER A 25 1.359 -5.252 15.356 1.00 0.00 C ATOM 358 O SER A 25 1.916 -5.530 16.418 1.00 0.00 O ATOM 359 CB SER A 25 -1.125 -5.446 15.581 1.00 0.00 C ATOM 360 OG SER A 25 -2.260 -4.759 16.077 1.00 0.00 O ATOM 0 H SER A 25 -0.220 -4.386 13.264 1.00 0.00 H new ATOM 0 HA SER A 25 0.061 -3.745 16.144 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.380 -5.951 14.649 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.825 -6.218 16.290 1.00 0.00 H new ATOM 0 HG SER A 25 -2.991 -5.396 16.219 1.00 0.00 H new ATOM 366 N GLN A 26 1.851 -5.591 14.169 1.00 0.00 N ATOM 367 CA GLN A 26 3.103 -6.327 14.044 1.00 0.00 C ATOM 368 C GLN A 26 4.260 -5.384 13.728 1.00 0.00 C ATOM 369 O GLN A 26 4.089 -4.344 13.092 1.00 0.00 O ATOM 370 CB GLN A 26 2.986 -7.393 12.953 1.00 0.00 C ATOM 371 CG GLN A 26 2.137 -8.587 13.357 1.00 0.00 C ATOM 372 CD GLN A 26 1.895 -9.547 12.209 1.00 0.00 C ATOM 373 OE1 GLN A 26 2.518 -10.605 12.127 1.00 0.00 O ATOM 374 NE2 GLN A 26 0.984 -9.181 11.314 1.00 0.00 N ATOM 0 H GLN A 26 1.402 -5.368 13.281 1.00 0.00 H new ATOM 0 HA GLN A 26 3.305 -6.814 14.998 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.559 -6.940 12.059 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.984 -7.741 12.688 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.629 -9.118 14.172 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.179 -8.234 13.738 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.491 -8.295 11.421 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.777 -9.787 10.520 1.00 0.00 H new ATOM 383 N PRO A 27 5.467 -5.754 14.181 1.00 0.00 N ATOM 384 CA PRO A 27 6.675 -4.955 13.959 1.00 0.00 C ATOM 385 C PRO A 27 7.114 -4.962 12.499 1.00 0.00 C ATOM 386 O PRO A 27 8.050 -4.258 12.119 1.00 0.00 O ATOM 387 CB PRO A 27 7.723 -5.646 14.835 1.00 0.00 C ATOM 388 CG PRO A 27 7.246 -7.052 14.960 1.00 0.00 C ATOM 389 CD PRO A 27 5.744 -6.982 14.946 1.00 0.00 C ATOM 0 HA PRO A 27 6.520 -3.904 14.204 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.712 -5.603 14.378 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.802 -5.167 15.811 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.616 -7.664 14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.607 -7.506 15.883 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.305 -7.859 14.471 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.335 -6.928 15.955 1.00 0.00 H new ATOM 397 N ASP A 28 6.432 -5.760 11.685 1.00 0.00 N ATOM 398 CA ASP A 28 6.750 -5.856 10.265 1.00 0.00 C ATOM 399 C ASP A 28 5.636 -5.253 9.416 1.00 0.00 C ATOM 400 O ASP A 28 5.622 -5.406 8.195 1.00 0.00 O ATOM 401 CB ASP A 28 6.977 -7.316 9.869 1.00 0.00 C ATOM 402 CG ASP A 28 8.042 -7.986 10.714 1.00 0.00 C ATOM 403 OD1 ASP A 28 7.871 -8.042 11.950 1.00 0.00 O ATOM 404 OD2 ASP A 28 9.048 -8.455 10.140 1.00 0.00 O ATOM 0 H ASP A 28 5.655 -6.350 11.984 1.00 0.00 H new ATOM 0 HA ASP A 28 7.665 -5.292 10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.041 -7.866 9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.267 -7.364 8.819 1.00 0.00 H new ATOM 409 N GLU A 29 4.703 -4.570 10.071 1.00 0.00 N ATOM 410 CA GLU A 29 3.583 -3.946 9.376 1.00 0.00 C ATOM 411 C GLU A 29 3.800 -2.442 9.235 1.00 0.00 C ATOM 412 O GLU A 29 4.709 -1.874 9.842 1.00 0.00 O ATOM 413 CB GLU A 29 2.276 -4.216 10.123 1.00 0.00 C ATOM 414 CG GLU A 29 1.591 -5.506 9.704 1.00 0.00 C ATOM 415 CD GLU A 29 0.255 -5.707 10.394 1.00 0.00 C ATOM 416 OE1 GLU A 29 -0.094 -4.880 11.262 1.00 0.00 O ATOM 417 OE2 GLU A 29 -0.440 -6.691 10.066 1.00 0.00 O ATOM 0 H GLU A 29 4.700 -4.435 11.082 1.00 0.00 H new ATOM 0 HA GLU A 29 3.519 -4.382 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.480 -4.254 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.594 -3.382 9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.441 -5.499 8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.243 -6.350 9.930 1.00 0.00 H new ATOM 424 N LEU A 30 2.960 -1.802 8.428 1.00 0.00 N ATOM 425 CA LEU A 30 3.059 -0.364 8.206 1.00 0.00 C ATOM 426 C LEU A 30 1.788 0.346 8.660 1.00 0.00 C ATOM 427 O LEU A 30 0.730 0.203 8.047 1.00 0.00 O ATOM 428 CB LEU A 30 3.319 -0.073 6.727 1.00 0.00 C ATOM 429 CG LEU A 30 4.121 1.192 6.422 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.270 2.432 6.649 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.380 1.244 7.276 1.00 0.00 C ATOM 0 H LEU A 30 2.203 -2.256 7.917 1.00 0.00 H new ATOM 0 HA LEU A 30 3.894 0.013 8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.845 -0.925 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.358 -0.001 6.217 1.00 0.00 H new ATOM 0 HG LEU A 30 4.417 1.167 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.858 3.322 6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.399 2.400 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.943 2.463 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.939 2.151 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.104 1.245 8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.000 0.373 7.064 1.00 0.00 H new ATOM 443 N THR A 31 1.899 1.116 9.739 1.00 0.00 N ATOM 444 CA THR A 31 0.760 1.849 10.275 1.00 0.00 C ATOM 445 C THR A 31 0.294 2.928 9.304 1.00 0.00 C ATOM 446 O THR A 31 0.984 3.926 9.093 1.00 0.00 O ATOM 447 CB THR A 31 1.099 2.504 11.628 1.00 0.00 C ATOM 448 OG1 THR A 31 1.566 1.512 12.549 1.00 0.00 O ATOM 449 CG2 THR A 31 -0.117 3.210 12.208 1.00 0.00 C ATOM 0 H THR A 31 2.767 1.247 10.258 1.00 0.00 H new ATOM 0 HA THR A 31 -0.041 1.124 10.421 1.00 0.00 H new ATOM 0 HB THR A 31 1.883 3.243 11.462 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.781 1.936 13.406 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.147 3.664 13.163 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.452 3.984 11.518 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.919 2.488 12.360 1.00 0.00 H new ATOM 457 N ILE A 32 -0.879 2.721 8.716 1.00 0.00 N ATOM 458 CA ILE A 32 -1.437 3.678 7.768 1.00 0.00 C ATOM 459 C ILE A 32 -2.646 4.395 8.359 1.00 0.00 C ATOM 460 O ILE A 32 -3.163 4.003 9.404 1.00 0.00 O ATOM 461 CB ILE A 32 -1.854 2.991 6.454 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.942 1.949 6.720 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.647 2.346 5.788 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.424 1.246 5.471 1.00 0.00 C ATOM 0 H ILE A 32 -1.461 1.900 8.879 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.654 4.405 7.556 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.258 3.746 5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.559 1.207 7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.789 2.436 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.957 1.864 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.099 3.110 5.568 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.217 1.601 6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.194 0.522 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.837 1.979 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.588 0.730 4.998 1.00 0.00 H new ATOM 476 N GLU A 33 -3.092 5.448 7.681 1.00 0.00 N ATOM 477 CA GLU A 33 -4.242 6.220 8.139 1.00 0.00 C ATOM 478 C GLU A 33 -4.990 6.833 6.959 1.00 0.00 C ATOM 479 O GLU A 33 -4.380 7.270 5.983 1.00 0.00 O ATOM 480 CB GLU A 33 -3.793 7.322 9.100 1.00 0.00 C ATOM 481 CG GLU A 33 -3.788 6.893 10.558 1.00 0.00 C ATOM 482 CD GLU A 33 -3.112 7.906 11.462 1.00 0.00 C ATOM 483 OE1 GLU A 33 -2.029 8.402 11.089 1.00 0.00 O ATOM 484 OE2 GLU A 33 -3.666 8.201 12.541 1.00 0.00 O ATOM 0 H GLU A 33 -2.675 5.786 6.814 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.917 5.543 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.791 7.648 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.452 8.183 8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.815 6.742 10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.279 5.934 10.649 1.00 0.00 H new ATOM 491 N GLU A 34 -6.316 6.861 7.056 1.00 0.00 N ATOM 492 CA GLU A 34 -7.148 7.419 5.997 1.00 0.00 C ATOM 493 C GLU A 34 -6.588 8.753 5.511 1.00 0.00 C ATOM 494 O GLU A 34 -6.003 9.512 6.285 1.00 0.00 O ATOM 495 CB GLU A 34 -8.584 7.604 6.490 1.00 0.00 C ATOM 496 CG GLU A 34 -9.560 7.990 5.391 1.00 0.00 C ATOM 497 CD GLU A 34 -11.002 7.973 5.859 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.631 6.896 5.805 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.502 9.038 6.279 1.00 0.00 O ATOM 0 H GLU A 34 -6.836 6.504 7.857 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.147 6.719 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.922 6.678 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.598 8.372 7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.313 8.986 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.446 7.304 4.552 1.00 0.00 H new ATOM 506 N HIS A 35 -6.773 9.033 4.225 1.00 0.00 N ATOM 507 CA HIS A 35 -6.287 10.275 3.636 1.00 0.00 C ATOM 508 C HIS A 35 -4.762 10.290 3.579 1.00 0.00 C ATOM 509 O HIS A 35 -4.138 11.343 3.704 1.00 0.00 O ATOM 510 CB HIS A 35 -6.791 11.476 4.437 1.00 0.00 C ATOM 511 CG HIS A 35 -8.207 11.334 4.901 1.00 0.00 C ATOM 512 ND1 HIS A 35 -9.287 11.363 4.044 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.719 11.160 6.142 1.00 0.00 C ATOM 514 CE1 HIS A 35 -10.401 11.214 4.737 1.00 0.00 C ATOM 515 NE2 HIS A 35 -10.085 11.089 6.013 1.00 0.00 N ATOM 0 H HIS A 35 -7.256 8.417 3.571 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.671 10.340 2.618 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.146 11.621 5.304 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.707 12.373 3.823 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.158 11.090 7.062 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.401 11.197 4.329 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.747 10.961 6.778 1.00 0.00 H new ATOM 524 N GLU A 36 -4.170 9.115 3.390 1.00 0.00 N ATOM 525 CA GLU A 36 -2.719 8.994 3.319 1.00 0.00 C ATOM 526 C GLU A 36 -2.286 8.420 1.973 1.00 0.00 C ATOM 527 O GLU A 36 -2.633 7.291 1.626 1.00 0.00 O ATOM 528 CB GLU A 36 -2.202 8.107 4.454 1.00 0.00 C ATOM 529 CG GLU A 36 -0.692 7.937 4.455 1.00 0.00 C ATOM 530 CD GLU A 36 0.022 9.077 5.155 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.105 9.185 6.393 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.707 9.861 4.466 1.00 0.00 O ATOM 0 H GLU A 36 -4.673 8.234 3.283 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.292 9.991 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.512 8.535 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.670 7.125 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.436 6.997 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.337 7.868 3.427 1.00 0.00 H new ATOM 539 N VAL A 37 -1.526 9.207 1.217 1.00 0.00 N ATOM 540 CA VAL A 37 -1.045 8.779 -0.090 1.00 0.00 C ATOM 541 C VAL A 37 0.263 8.006 0.031 1.00 0.00 C ATOM 542 O VAL A 37 1.278 8.547 0.470 1.00 0.00 O ATOM 543 CB VAL A 37 -0.833 9.980 -1.032 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.417 9.506 -2.416 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.094 10.827 -1.105 1.00 0.00 C ATOM 0 H VAL A 37 -1.231 10.145 1.488 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.811 8.128 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.030 10.598 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.272 10.368 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.515 8.945 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.195 8.865 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.927 11.671 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.918 10.221 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.342 11.197 -0.110 1.00 0.00 H new ATOM 555 N LEU A 38 0.232 6.736 -0.360 1.00 0.00 N ATOM 556 CA LEU A 38 1.416 5.887 -0.295 1.00 0.00 C ATOM 557 C LEU A 38 1.861 5.465 -1.692 1.00 0.00 C ATOM 558 O LEU A 38 1.172 5.727 -2.678 1.00 0.00 O ATOM 559 CB LEU A 38 1.134 4.649 0.558 1.00 0.00 C ATOM 560 CG LEU A 38 0.644 4.913 1.982 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.080 3.693 2.532 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.808 5.296 2.884 1.00 0.00 C ATOM 0 H LEU A 38 -0.600 6.272 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 38 2.220 6.462 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.388 4.041 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.046 4.055 0.613 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.059 5.746 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.422 3.899 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.938 3.463 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.600 2.841 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.441 5.480 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.535 4.484 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.284 6.199 2.501 1.00 0.00 H new ATOM 574 N GLU A 39 3.014 4.809 -1.767 1.00 0.00 N ATOM 575 CA GLU A 39 3.549 4.350 -3.044 1.00 0.00 C ATOM 576 C GLU A 39 3.868 2.859 -2.996 1.00 0.00 C ATOM 577 O GLU A 39 4.799 2.434 -2.311 1.00 0.00 O ATOM 578 CB GLU A 39 4.807 5.141 -3.409 1.00 0.00 C ATOM 579 CG GLU A 39 5.144 5.099 -4.890 1.00 0.00 C ATOM 580 CD GLU A 39 4.496 6.229 -5.667 1.00 0.00 C ATOM 581 OE1 GLU A 39 3.760 7.028 -5.052 1.00 0.00 O ATOM 582 OE2 GLU A 39 4.725 6.313 -6.892 1.00 0.00 O ATOM 0 H GLU A 39 3.595 4.583 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 39 2.790 4.517 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.674 6.179 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.651 4.748 -2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.226 5.151 -5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.821 4.145 -5.306 1.00 0.00 H new ATOM 589 N VAL A 40 3.089 2.069 -3.727 1.00 0.00 N ATOM 590 CA VAL A 40 3.288 0.625 -3.768 1.00 0.00 C ATOM 591 C VAL A 40 4.443 0.256 -4.693 1.00 0.00 C ATOM 592 O VAL A 40 4.391 0.505 -5.898 1.00 0.00 O ATOM 593 CB VAL A 40 2.015 -0.104 -4.239 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.256 -1.604 -4.317 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.849 0.210 -3.314 1.00 0.00 C ATOM 0 H VAL A 40 2.314 2.404 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 40 3.524 0.309 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 40 1.762 0.251 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.346 -2.102 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.061 -1.807 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.534 -1.980 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.042 -0.313 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.090 -0.116 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.663 1.284 -3.315 1.00 0.00 H new ATOM 605 N ILE A 41 5.484 -0.340 -4.121 1.00 0.00 N ATOM 606 CA ILE A 41 6.651 -0.745 -4.894 1.00 0.00 C ATOM 607 C ILE A 41 6.677 -2.256 -5.100 1.00 0.00 C ATOM 608 O ILE A 41 7.049 -2.740 -6.168 1.00 0.00 O ATOM 609 CB ILE A 41 7.959 -0.309 -4.209 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.010 -0.838 -2.774 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.086 1.207 -4.225 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.229 -0.381 -2.004 1.00 0.00 C ATOM 0 H ILE A 41 5.543 -0.553 -3.125 1.00 0.00 H new ATOM 0 HA ILE A 41 6.575 -0.250 -5.862 1.00 0.00 H new ATOM 0 HB ILE A 41 8.799 -0.730 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.114 -0.515 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.992 -1.928 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.016 1.499 -3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.090 1.561 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.243 1.648 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.198 -0.794 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.130 -0.727 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.238 0.708 -1.950 1.00 0.00 H new ATOM 624 N GLU A 42 6.277 -2.995 -4.069 1.00 0.00 N ATOM 625 CA GLU A 42 6.254 -4.451 -4.138 1.00 0.00 C ATOM 626 C GLU A 42 4.909 -4.996 -3.666 1.00 0.00 C ATOM 627 O GLU A 42 4.078 -4.257 -3.138 1.00 0.00 O ATOM 628 CB GLU A 42 7.382 -5.042 -3.290 1.00 0.00 C ATOM 629 CG GLU A 42 8.746 -4.973 -3.958 1.00 0.00 C ATOM 630 CD GLU A 42 8.818 -5.806 -5.223 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.433 -6.993 -5.176 1.00 0.00 O ATOM 632 OE2 GLU A 42 9.258 -5.269 -6.261 1.00 0.00 O ATOM 0 H GLU A 42 5.965 -2.609 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 42 6.400 -4.743 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.426 -4.512 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.149 -6.083 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.977 -3.935 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.507 -5.316 -3.258 1.00 0.00 H new ATOM 639 N ASP A 43 4.703 -6.294 -3.861 1.00 0.00 N ATOM 640 CA ASP A 43 3.460 -6.940 -3.455 1.00 0.00 C ATOM 641 C ASP A 43 3.638 -7.680 -2.133 1.00 0.00 C ATOM 642 O ASP A 43 2.806 -8.503 -1.753 1.00 0.00 O ATOM 643 CB ASP A 43 2.989 -7.912 -4.538 1.00 0.00 C ATOM 644 CG ASP A 43 4.118 -8.766 -5.081 1.00 0.00 C ATOM 645 OD1 ASP A 43 4.373 -9.847 -4.508 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.746 -8.354 -6.078 1.00 0.00 O ATOM 0 H ASP A 43 5.380 -6.919 -4.298 1.00 0.00 H new ATOM 0 HA ASP A 43 2.705 -6.166 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.213 -8.559 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.537 -7.350 -5.355 1.00 0.00 H new ATOM 651 N GLY A 44 4.730 -7.380 -1.435 1.00 0.00 N ATOM 652 CA GLY A 44 4.998 -8.026 -0.164 1.00 0.00 C ATOM 653 C GLY A 44 5.088 -9.534 -0.287 1.00 0.00 C ATOM 654 O GLY A 44 4.821 -10.094 -1.350 1.00 0.00 O ATOM 0 H GLY A 44 5.433 -6.701 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.932 -7.642 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.210 -7.769 0.544 1.00 0.00 H new ATOM 658 N ASP A 45 5.467 -10.193 0.803 1.00 0.00 N ATOM 659 CA ASP A 45 5.592 -11.646 0.812 1.00 0.00 C ATOM 660 C ASP A 45 4.231 -12.310 0.625 1.00 0.00 C ATOM 661 O ASP A 45 4.138 -13.421 0.105 1.00 0.00 O ATOM 662 CB ASP A 45 6.227 -12.116 2.122 1.00 0.00 C ATOM 663 CG ASP A 45 7.729 -11.916 2.142 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.354 -12.015 1.065 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.280 -11.662 3.233 1.00 0.00 O ATOM 0 H ASP A 45 5.693 -9.744 1.691 1.00 0.00 H new ATOM 0 HA ASP A 45 6.235 -11.936 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.780 -11.573 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.002 -13.172 2.273 1.00 0.00 H new ATOM 670 N MET A 46 3.178 -11.621 1.054 1.00 0.00 N ATOM 671 CA MET A 46 1.823 -12.145 0.933 1.00 0.00 C ATOM 672 C MET A 46 1.131 -11.582 -0.304 1.00 0.00 C ATOM 673 O MET A 46 1.472 -10.498 -0.778 1.00 0.00 O ATOM 674 CB MET A 46 1.009 -11.807 2.184 1.00 0.00 C ATOM 675 CG MET A 46 -0.087 -12.816 2.486 1.00 0.00 C ATOM 676 SD MET A 46 0.488 -14.180 3.515 1.00 0.00 S ATOM 677 CE MET A 46 0.188 -13.520 5.152 1.00 0.00 C ATOM 0 H MET A 46 3.237 -10.700 1.488 1.00 0.00 H new ATOM 0 HA MET A 46 1.887 -13.228 0.831 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.681 -11.746 3.040 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.560 -10.821 2.060 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.912 -12.311 2.988 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.478 -13.213 1.549 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.494 -14.251 5.901 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.761 -12.602 5.285 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.874 -13.304 5.268 1.00 0.00 H new ATOM 687 N GLU A 47 0.158 -12.325 -0.823 1.00 0.00 N ATOM 688 CA GLU A 47 -0.580 -11.898 -2.006 1.00 0.00 C ATOM 689 C GLU A 47 -1.656 -10.881 -1.639 1.00 0.00 C ATOM 690 O GLU A 47 -1.807 -9.854 -2.301 1.00 0.00 O ATOM 691 CB GLU A 47 -1.218 -13.104 -2.698 1.00 0.00 C ATOM 692 CG GLU A 47 -0.208 -14.112 -3.219 1.00 0.00 C ATOM 693 CD GLU A 47 -0.822 -15.475 -3.477 1.00 0.00 C ATOM 694 OE1 GLU A 47 -1.299 -15.707 -4.607 1.00 0.00 O ATOM 695 OE2 GLU A 47 -0.825 -16.309 -2.547 1.00 0.00 O ATOM 0 H GLU A 47 -0.137 -13.224 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 47 0.124 -11.425 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.887 -13.602 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.830 -12.753 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.232 -13.735 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.603 -14.214 -2.498 1.00 0.00 H new ATOM 702 N ASP A 48 -2.403 -11.174 -0.579 1.00 0.00 N ATOM 703 CA ASP A 48 -3.465 -10.286 -0.123 1.00 0.00 C ATOM 704 C ASP A 48 -2.896 -8.943 0.324 1.00 0.00 C ATOM 705 O ASP A 48 -3.535 -7.903 0.164 1.00 0.00 O ATOM 706 CB ASP A 48 -4.241 -10.932 1.026 1.00 0.00 C ATOM 707 CG ASP A 48 -4.788 -12.298 0.659 1.00 0.00 C ATOM 708 OD1 ASP A 48 -3.983 -13.244 0.531 1.00 0.00 O ATOM 709 OD2 ASP A 48 -6.020 -12.421 0.500 1.00 0.00 O ATOM 0 H ASP A 48 -2.292 -12.020 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.144 -10.113 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.588 -11.026 1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.065 -10.280 1.316 1.00 0.00 H new ATOM 714 N TRP A 49 -1.692 -8.973 0.884 1.00 0.00 N ATOM 715 CA TRP A 49 -1.037 -7.758 1.354 1.00 0.00 C ATOM 716 C TRP A 49 -0.056 -7.230 0.313 1.00 0.00 C ATOM 717 O TRP A 49 0.144 -7.846 -0.734 1.00 0.00 O ATOM 718 CB TRP A 49 -0.307 -8.025 2.672 1.00 0.00 C ATOM 719 CG TRP A 49 -1.209 -8.526 3.759 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.957 -9.668 3.741 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.458 -7.901 5.023 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.657 -9.790 4.918 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.367 -8.719 5.721 1.00 0.00 C ATOM 724 CE3 TRP A 49 -1.000 -6.730 5.633 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.825 -8.402 6.997 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.456 -6.416 6.899 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.360 -7.250 7.570 1.00 0.00 C ATOM 0 H TRP A 49 -1.150 -9.825 1.024 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.805 -7.002 1.518 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.483 -8.756 2.500 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.175 -7.106 3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.993 -10.372 2.923 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.290 -10.554 5.155 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.302 -6.082 5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.523 -9.043 7.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.110 -5.513 7.379 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.697 -6.978 8.560 1.00 0.00 H new ATOM 738 N VAL A 50 0.554 -6.086 0.608 1.00 0.00 N ATOM 739 CA VAL A 50 1.516 -5.477 -0.303 1.00 0.00 C ATOM 740 C VAL A 50 2.539 -4.640 0.458 1.00 0.00 C ATOM 741 O VAL A 50 2.432 -4.460 1.671 1.00 0.00 O ATOM 742 CB VAL A 50 0.815 -4.587 -1.346 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.098 -5.440 -2.381 1.00 0.00 C ATOM 744 CG2 VAL A 50 -0.155 -3.632 -0.666 1.00 0.00 C ATOM 0 H VAL A 50 0.399 -5.563 1.470 1.00 0.00 H new ATOM 0 HA VAL A 50 2.027 -6.292 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 50 1.572 -3.995 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.391 -4.793 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.820 -6.078 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.650 -6.060 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.641 -3.011 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.909 -4.204 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.389 -2.997 0.033 1.00 0.00 H new ATOM 754 N LYS A 51 3.531 -4.130 -0.264 1.00 0.00 N ATOM 755 CA LYS A 51 4.574 -3.310 0.341 1.00 0.00 C ATOM 756 C LYS A 51 4.498 -1.873 -0.165 1.00 0.00 C ATOM 757 O LYS A 51 4.554 -1.625 -1.369 1.00 0.00 O ATOM 758 CB LYS A 51 5.954 -3.897 0.037 1.00 0.00 C ATOM 759 CG LYS A 51 6.993 -3.593 1.102 1.00 0.00 C ATOM 760 CD LYS A 51 8.367 -4.104 0.703 1.00 0.00 C ATOM 761 CE LYS A 51 9.202 -4.468 1.922 1.00 0.00 C ATOM 762 NZ LYS A 51 10.625 -4.720 1.564 1.00 0.00 N ATOM 0 H LYS A 51 3.635 -4.270 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 51 4.418 -3.306 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.864 -4.978 -0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.302 -3.508 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.039 -2.517 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.693 -4.051 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.259 -4.978 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.885 -3.342 0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.149 -3.661 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.784 -5.356 2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.161 -4.965 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.678 -5.507 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.032 -3.865 1.134 1.00 0.00 H new ATOM 776 N ALA A 52 4.372 -0.929 0.763 1.00 0.00 N ATOM 777 CA ALA A 52 4.293 0.483 0.411 1.00 0.00 C ATOM 778 C ALA A 52 5.191 1.324 1.310 1.00 0.00 C ATOM 779 O ALA A 52 5.467 0.952 2.451 1.00 0.00 O ATOM 780 CB ALA A 52 2.853 0.968 0.497 1.00 0.00 C ATOM 0 H ALA A 52 4.323 -1.117 1.764 1.00 0.00 H new ATOM 0 HA ALA A 52 4.643 0.597 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.808 2.024 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.234 0.394 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.484 0.833 1.514 1.00 0.00 H new ATOM 786 N ARG A 53 5.645 2.460 0.790 1.00 0.00 N ATOM 787 CA ARG A 53 6.514 3.354 1.546 1.00 0.00 C ATOM 788 C ARG A 53 5.850 4.712 1.751 1.00 0.00 C ATOM 789 O ARG A 53 5.534 5.411 0.790 1.00 0.00 O ATOM 790 CB ARG A 53 7.851 3.531 0.824 1.00 0.00 C ATOM 791 CG ARG A 53 8.790 4.507 1.513 1.00 0.00 C ATOM 792 CD ARG A 53 9.860 5.017 0.560 1.00 0.00 C ATOM 793 NE ARG A 53 11.088 5.382 1.261 1.00 0.00 N ATOM 794 CZ ARG A 53 12.115 5.989 0.677 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.062 6.298 -0.611 1.00 0.00 N ATOM 796 NH2 ARG A 53 13.199 6.289 1.382 1.00 0.00 N ATOM 0 H ARG A 53 5.425 2.783 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 53 6.694 2.906 2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.343 2.561 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.663 3.877 -0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.219 5.349 1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.263 4.019 2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.080 4.249 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.480 5.884 0.019 1.00 0.00 H new ATOM 0 HE ARG A 53 11.161 5.159 2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.231 6.070 -1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.852 6.764 -1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.244 6.053 2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.987 6.755 0.932 1.00 0.00 H new ATOM 810 N ASN A 54 5.643 5.079 3.012 1.00 0.00 N ATOM 811 CA ASN A 54 5.016 6.354 3.344 1.00 0.00 C ATOM 812 C ASN A 54 6.019 7.498 3.233 1.00 0.00 C ATOM 813 O ASN A 54 7.192 7.284 2.926 1.00 0.00 O ATOM 814 CB ASN A 54 4.433 6.306 4.757 1.00 0.00 C ATOM 815 CG ASN A 54 5.289 5.492 5.708 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.497 5.357 5.514 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.664 4.944 6.744 1.00 0.00 N ATOM 0 H ASN A 54 5.900 4.512 3.820 1.00 0.00 H new ATOM 0 HA ASN A 54 4.210 6.531 2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.333 7.321 5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.431 5.880 4.719 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.187 4.385 7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.661 5.082 6.866 1.00 0.00 H new ATOM 824 N LYS A 55 5.549 8.715 3.485 1.00 0.00 N ATOM 825 CA LYS A 55 6.404 9.895 3.417 1.00 0.00 C ATOM 826 C LYS A 55 7.662 9.705 4.257 1.00 0.00 C ATOM 827 O LYS A 55 8.776 9.937 3.786 1.00 0.00 O ATOM 828 CB LYS A 55 5.640 11.132 3.896 1.00 0.00 C ATOM 829 CG LYS A 55 5.105 11.006 5.312 1.00 0.00 C ATOM 830 CD LYS A 55 3.887 11.888 5.528 1.00 0.00 C ATOM 831 CE LYS A 55 3.525 11.986 7.003 1.00 0.00 C ATOM 832 NZ LYS A 55 4.452 12.885 7.743 1.00 0.00 N ATOM 0 H LYS A 55 4.580 8.910 3.738 1.00 0.00 H new ATOM 0 HA LYS A 55 6.701 10.038 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.298 11.999 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.808 11.320 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.843 9.967 5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.885 11.280 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.084 12.885 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.041 11.485 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.504 12.355 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.549 10.992 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.113 13.006 8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.404 12.467 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.487 13.811 7.272 1.00 0.00 H new ATOM 846 N VAL A 56 7.478 9.280 5.503 1.00 0.00 N ATOM 847 CA VAL A 56 8.599 9.056 6.408 1.00 0.00 C ATOM 848 C VAL A 56 9.598 8.070 5.812 1.00 0.00 C ATOM 849 O VAL A 56 10.779 8.083 6.155 1.00 0.00 O ATOM 850 CB VAL A 56 8.122 8.525 7.772 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.828 9.678 8.721 1.00 0.00 C ATOM 852 CG2 VAL A 56 6.897 7.640 7.600 1.00 0.00 C ATOM 0 H VAL A 56 6.563 9.084 5.909 1.00 0.00 H new ATOM 0 HA VAL A 56 9.086 10.020 6.552 1.00 0.00 H new ATOM 0 HB VAL A 56 8.919 7.922 8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.492 9.283 9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.733 10.268 8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.048 10.310 8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.573 7.273 8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.093 8.217 7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.146 6.795 6.959 1.00 0.00 H new ATOM 862 N GLY A 57 9.114 7.214 4.917 1.00 0.00 N ATOM 863 CA GLY A 57 9.977 6.232 4.287 1.00 0.00 C ATOM 864 C GLY A 57 9.788 4.842 4.859 1.00 0.00 C ATOM 865 O GLY A 57 10.361 3.875 4.358 1.00 0.00 O ATOM 0 H GLY A 57 8.140 7.183 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.777 6.211 3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.017 6.534 4.411 1.00 0.00 H new ATOM 869 N GLN A 58 8.983 4.741 5.912 1.00 0.00 N ATOM 870 CA GLN A 58 8.723 3.458 6.554 1.00 0.00 C ATOM 871 C GLN A 58 8.092 2.476 5.572 1.00 0.00 C ATOM 872 O GLN A 58 7.036 2.746 5.000 1.00 0.00 O ATOM 873 CB GLN A 58 7.806 3.647 7.765 1.00 0.00 C ATOM 874 CG GLN A 58 8.555 3.950 9.053 1.00 0.00 C ATOM 875 CD GLN A 58 7.644 4.469 10.148 1.00 0.00 C ATOM 876 OE1 GLN A 58 6.608 5.075 9.875 1.00 0.00 O ATOM 877 NE2 GLN A 58 8.027 4.233 11.398 1.00 0.00 N ATOM 0 H GLN A 58 8.500 5.532 6.338 1.00 0.00 H new ATOM 0 HA GLN A 58 9.676 3.047 6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.109 4.460 7.560 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.211 2.745 7.904 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.055 3.046 9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.332 4.687 8.852 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.894 3.727 11.579 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.454 4.558 12.177 1.00 0.00 H new ATOM 886 N VAL A 59 8.747 1.335 5.381 1.00 0.00 N ATOM 887 CA VAL A 59 8.251 0.312 4.469 1.00 0.00 C ATOM 888 C VAL A 59 7.850 -0.950 5.224 1.00 0.00 C ATOM 889 O VAL A 59 8.680 -1.590 5.868 1.00 0.00 O ATOM 890 CB VAL A 59 9.304 -0.051 3.406 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.680 -0.887 2.299 1.00 0.00 C ATOM 892 CG2 VAL A 59 9.944 1.207 2.839 1.00 0.00 C ATOM 0 H VAL A 59 9.623 1.096 5.846 1.00 0.00 H new ATOM 0 HA VAL A 59 7.374 0.729 3.973 1.00 0.00 H new ATOM 0 HB VAL A 59 10.084 -0.646 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.440 -1.134 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.274 -1.806 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.879 -0.321 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.686 0.932 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.177 1.830 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.429 1.762 3.642 1.00 0.00 H new ATOM 902 N GLY A 60 6.571 -1.303 5.140 1.00 0.00 N ATOM 903 CA GLY A 60 6.082 -2.488 5.820 1.00 0.00 C ATOM 904 C GLY A 60 5.100 -3.276 4.976 1.00 0.00 C ATOM 905 O GLY A 60 5.193 -3.287 3.749 1.00 0.00 O ATOM 0 H GLY A 60 5.865 -0.789 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.925 -3.127 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.601 -2.195 6.753 1.00 0.00 H new ATOM 909 N TYR A 61 4.156 -3.940 5.636 1.00 0.00 N ATOM 910 CA TYR A 61 3.155 -4.738 4.939 1.00 0.00 C ATOM 911 C TYR A 61 1.745 -4.281 5.301 1.00 0.00 C ATOM 912 O TYR A 61 1.406 -4.147 6.477 1.00 0.00 O ATOM 913 CB TYR A 61 3.326 -6.220 5.280 1.00 0.00 C ATOM 914 CG TYR A 61 4.660 -6.789 4.854 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.116 -6.644 3.549 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.467 -7.471 5.757 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.334 -7.163 3.156 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.687 -7.992 5.373 1.00 0.00 C ATOM 919 CZ TYR A 61 7.116 -7.836 4.071 1.00 0.00 C ATOM 920 OH TYR A 61 8.331 -8.353 3.684 1.00 0.00 O ATOM 0 H TYR A 61 4.064 -3.941 6.652 1.00 0.00 H new ATOM 0 HA TYR A 61 3.298 -4.599 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.211 -6.352 6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.528 -6.789 4.802 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.507 -6.116 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.134 -7.596 6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.672 -7.042 2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.302 -8.519 6.088 1.00 0.00 H new ATOM 0 HH TYR A 61 8.256 -9.325 3.585 1.00 0.00 H new ATOM 930 N VAL A 62 0.927 -4.044 4.281 1.00 0.00 N ATOM 931 CA VAL A 62 -0.448 -3.603 4.490 1.00 0.00 C ATOM 932 C VAL A 62 -1.402 -4.310 3.534 1.00 0.00 C ATOM 933 O VAL A 62 -1.033 -4.706 2.428 1.00 0.00 O ATOM 934 CB VAL A 62 -0.584 -2.081 4.301 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.214 -1.337 5.362 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.136 -1.675 2.905 1.00 0.00 C ATOM 0 H VAL A 62 1.192 -4.150 3.302 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.710 -3.859 5.517 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.634 -1.812 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.106 -0.263 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.158 -1.605 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.266 -1.610 5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.239 -0.596 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.907 -1.958 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.754 -2.180 2.163 1.00 0.00 H new ATOM 946 N PRO A 63 -2.661 -4.473 3.968 1.00 0.00 N ATOM 947 CA PRO A 63 -3.696 -5.132 3.166 1.00 0.00 C ATOM 948 C PRO A 63 -4.115 -4.296 1.962 1.00 0.00 C ATOM 949 O PRO A 63 -4.714 -3.231 2.112 1.00 0.00 O ATOM 950 CB PRO A 63 -4.863 -5.281 4.146 1.00 0.00 C ATOM 951 CG PRO A 63 -4.659 -4.195 5.145 1.00 0.00 C ATOM 952 CD PRO A 63 -3.171 -4.025 5.275 1.00 0.00 C ATOM 0 HA PRO A 63 -3.349 -6.077 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.822 -5.177 3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.858 -6.262 4.621 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.130 -3.269 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.107 -4.457 6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.901 -2.989 5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.768 -4.625 6.091 1.00 0.00 H new ATOM 960 N GLU A 64 -3.798 -4.787 0.767 1.00 0.00 N ATOM 961 CA GLU A 64 -4.143 -4.083 -0.463 1.00 0.00 C ATOM 962 C GLU A 64 -5.609 -3.662 -0.456 1.00 0.00 C ATOM 963 O GLU A 64 -5.989 -2.682 -1.097 1.00 0.00 O ATOM 964 CB GLU A 64 -3.860 -4.968 -1.678 1.00 0.00 C ATOM 965 CG GLU A 64 -4.394 -4.400 -2.982 1.00 0.00 C ATOM 966 CD GLU A 64 -5.812 -4.850 -3.278 1.00 0.00 C ATOM 967 OE1 GLU A 64 -6.270 -5.821 -2.641 1.00 0.00 O ATOM 968 OE2 GLU A 64 -6.462 -4.232 -4.147 1.00 0.00 O ATOM 0 H GLU A 64 -3.304 -5.668 0.625 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.527 -3.186 -0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.783 -5.113 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.301 -5.951 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.364 -3.311 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.742 -4.705 -3.801 1.00 0.00 H new ATOM 975 N LYS A 65 -6.430 -4.410 0.274 1.00 0.00 N ATOM 976 CA LYS A 65 -7.855 -4.116 0.366 1.00 0.00 C ATOM 977 C LYS A 65 -8.087 -2.726 0.951 1.00 0.00 C ATOM 978 O LYS A 65 -8.971 -1.994 0.505 1.00 0.00 O ATOM 979 CB LYS A 65 -8.559 -5.167 1.227 1.00 0.00 C ATOM 980 CG LYS A 65 -8.654 -6.531 0.566 1.00 0.00 C ATOM 981 CD LYS A 65 -9.044 -7.609 1.563 1.00 0.00 C ATOM 982 CE LYS A 65 -10.537 -7.584 1.855 1.00 0.00 C ATOM 983 NZ LYS A 65 -10.990 -8.830 2.532 1.00 0.00 N ATOM 0 H LYS A 65 -6.132 -5.225 0.811 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.272 -4.142 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.025 -5.267 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.564 -4.817 1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.388 -6.496 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.696 -6.784 0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.765 -8.587 1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.488 -7.467 2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.770 -6.724 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.087 -7.456 0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.012 -8.774 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.791 -9.649 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.483 -8.939 3.434 1.00 0.00 H new ATOM 997 N TYR A 66 -7.287 -2.369 1.949 1.00 0.00 N ATOM 998 CA TYR A 66 -7.406 -1.067 2.595 1.00 0.00 C ATOM 999 C TYR A 66 -6.849 0.038 1.702 1.00 0.00 C ATOM 1000 O TYR A 66 -7.212 1.207 1.841 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.673 -1.071 3.938 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.408 -1.820 5.027 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -7.812 -3.137 4.840 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.699 -1.212 6.241 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.484 -3.825 5.832 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.369 -1.893 7.239 1.00 0.00 C ATOM 1007 CZ TYR A 66 -8.759 -3.199 7.029 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.429 -3.880 8.020 1.00 0.00 O ATOM 0 H TYR A 66 -6.549 -2.962 2.328 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.464 -0.871 2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.688 -1.517 3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.515 -0.041 4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.597 -3.631 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.396 -0.189 6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.792 -4.847 5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.586 -1.406 8.178 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.542 -3.296 8.799 1.00 0.00 H new ATOM 1018 N LEU A 67 -5.966 -0.342 0.785 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.358 0.615 -0.133 1.00 0.00 C ATOM 1020 C LEU A 67 -6.272 0.884 -1.323 1.00 0.00 C ATOM 1021 O LEU A 67 -7.014 0.004 -1.759 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.005 0.094 -0.621 1.00 0.00 C ATOM 1023 CG LEU A 67 -2.897 0.014 0.429 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.673 -0.689 -0.138 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.533 1.405 0.927 1.00 0.00 C ATOM 0 H LEU A 67 -5.655 -1.305 0.657 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.207 1.551 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.152 -0.901 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.663 0.736 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.265 -0.568 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.895 -0.736 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.943 -1.700 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.303 -0.135 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.743 1.329 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.185 2.011 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.410 1.873 1.374 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.211 2.105 -1.845 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.033 2.489 -2.987 1.00 0.00 C ATOM 1039 C GLN A 68 -6.176 2.686 -4.233 1.00 0.00 C ATOM 1040 O GLN A 68 -5.760 3.802 -4.543 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.806 3.772 -2.677 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.932 4.056 -3.658 1.00 0.00 C ATOM 1043 CD GLN A 68 -9.924 5.073 -3.130 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -11.106 4.773 -2.958 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -9.448 6.284 -2.868 1.00 0.00 N ATOM 0 H GLN A 68 -5.602 2.845 -1.496 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.742 1.684 -3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.220 3.703 -1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.113 4.613 -2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.509 4.419 -4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.455 3.127 -3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.461 6.489 -3.025 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.069 7.009 -2.509 1.00 0.00 H new ATOM 1054 N PHE A 69 -5.916 1.594 -4.945 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.107 1.646 -6.157 1.00 0.00 C ATOM 1056 C PHE A 69 -5.765 2.531 -7.212 1.00 0.00 C ATOM 1057 O PHE A 69 -6.981 2.719 -7.230 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.896 0.238 -6.716 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.834 -0.541 -5.993 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.908 -0.731 -4.622 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.762 -1.083 -6.684 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.933 -1.448 -3.954 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.785 -1.800 -6.021 1.00 0.00 C ATOM 1064 CZ PHE A 69 -1.869 -1.982 -4.654 1.00 0.00 C ATOM 0 H PHE A 69 -6.254 0.662 -4.703 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.139 2.076 -5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.837 -0.310 -6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.628 0.311 -7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.737 -0.314 -4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.690 -0.943 -7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.003 -1.590 -2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.955 -2.218 -6.571 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.105 -2.540 -4.134 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.942 3.088 -8.113 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.420 3.962 -9.188 1.00 0.00 C ATOM 1076 C PRO A 70 -6.218 3.202 -10.242 1.00 0.00 C ATOM 1077 O PRO A 70 -5.687 2.326 -10.926 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.129 4.519 -9.793 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.092 3.498 -9.478 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.481 2.907 -8.151 1.00 0.00 C ATOM 0 HA PRO A 70 -6.099 4.730 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.227 4.665 -10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.875 5.487 -9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.053 2.730 -10.251 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.102 3.950 -9.428 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.204 1.855 -8.083 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.991 3.420 -7.323 1.00 0.00 H new ATOM 1088 N THR A 71 -7.497 3.541 -10.368 1.00 0.00 N ATOM 1089 CA THR A 71 -8.368 2.890 -11.339 1.00 0.00 C ATOM 1090 C THR A 71 -8.287 3.576 -12.698 1.00 0.00 C ATOM 1091 O THR A 71 -8.269 4.803 -12.784 1.00 0.00 O ATOM 1092 CB THR A 71 -9.833 2.887 -10.864 1.00 0.00 C ATOM 1093 OG1 THR A 71 -10.308 4.231 -10.730 1.00 0.00 O ATOM 1094 CG2 THR A 71 -9.970 2.160 -9.535 1.00 0.00 C ATOM 0 H THR A 71 -7.953 4.263 -9.810 1.00 0.00 H new ATOM 0 HA THR A 71 -8.022 1.861 -11.435 1.00 0.00 H new ATOM 0 HB THR A 71 -10.432 2.364 -11.609 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.241 4.220 -10.429 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.013 2.171 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.636 1.129 -9.648 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.359 2.659 -8.783 1.00 0.00 H new ATOM 1102 N SER A 72 -8.239 2.775 -13.757 1.00 0.00 N ATOM 1103 CA SER A 72 -8.157 3.305 -15.113 1.00 0.00 C ATOM 1104 C SER A 72 -9.549 3.477 -15.714 1.00 0.00 C ATOM 1105 O SER A 72 -9.891 4.546 -16.219 1.00 0.00 O ATOM 1106 CB SER A 72 -7.319 2.379 -15.996 1.00 0.00 C ATOM 1107 OG SER A 72 -5.937 2.517 -15.713 1.00 0.00 O ATOM 0 H SER A 72 -8.255 1.757 -13.702 1.00 0.00 H new ATOM 0 HA SER A 72 -7.677 4.282 -15.066 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.624 1.345 -15.837 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.503 2.608 -17.046 1.00 0.00 H new ATOM 0 HG SER A 72 -5.423 1.913 -16.289 1.00 0.00 H new ATOM 1113 N SER A 73 -10.347 2.416 -15.656 1.00 0.00 N ATOM 1114 CA SER A 73 -11.701 2.447 -16.198 1.00 0.00 C ATOM 1115 C SER A 73 -12.596 3.365 -15.371 1.00 0.00 C ATOM 1116 O SER A 73 -12.386 3.540 -14.172 1.00 0.00 O ATOM 1117 CB SER A 73 -12.291 1.036 -16.232 1.00 0.00 C ATOM 1118 OG SER A 73 -13.602 1.045 -16.770 1.00 0.00 O ATOM 0 H SER A 73 -10.080 1.524 -15.239 1.00 0.00 H new ATOM 0 HA SER A 73 -11.651 2.837 -17.215 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.653 0.386 -16.831 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.311 0.622 -15.224 1.00 0.00 H new ATOM 0 HG SER A 73 -13.957 0.132 -16.783 1.00 0.00 H new ATOM 1124 N GLY A 74 -13.596 3.951 -16.024 1.00 0.00 N ATOM 1125 CA GLY A 74 -14.508 4.845 -15.335 1.00 0.00 C ATOM 1126 C GLY A 74 -15.907 4.806 -15.916 1.00 0.00 C ATOM 1127 O GLY A 74 -16.741 3.986 -15.529 1.00 0.00 O ATOM 0 H GLY A 74 -13.790 3.822 -17.017 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.548 4.575 -14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.124 5.864 -15.389 1.00 0.00 H new ATOM 1131 N PRO A 75 -16.182 5.710 -16.868 1.00 0.00 N ATOM 1132 CA PRO A 75 -17.491 5.796 -17.524 1.00 0.00 C ATOM 1133 C PRO A 75 -17.761 4.606 -18.438 1.00 0.00 C ATOM 1134 O PRO A 75 -17.356 4.600 -19.601 1.00 0.00 O ATOM 1135 CB PRO A 75 -17.393 7.087 -18.341 1.00 0.00 C ATOM 1136 CG PRO A 75 -15.936 7.269 -18.590 1.00 0.00 C ATOM 1137 CD PRO A 75 -15.237 6.716 -17.379 1.00 0.00 C ATOM 0 HA PRO A 75 -18.309 5.792 -16.804 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.947 7.007 -19.276 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -17.810 7.933 -17.795 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -15.626 6.744 -19.493 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -15.693 8.322 -18.734 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -14.277 6.270 -17.638 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -15.039 7.493 -16.640 1.00 0.00 H new ATOM 1145 N SER A 76 -18.448 3.601 -17.906 1.00 0.00 N ATOM 1146 CA SER A 76 -18.770 2.403 -18.674 1.00 0.00 C ATOM 1147 C SER A 76 -20.166 2.506 -19.280 1.00 0.00 C ATOM 1148 O SER A 76 -21.165 2.552 -18.562 1.00 0.00 O ATOM 1149 CB SER A 76 -18.677 1.162 -17.785 1.00 0.00 C ATOM 1150 OG SER A 76 -19.583 1.243 -16.698 1.00 0.00 O ATOM 0 H SER A 76 -18.793 3.592 -16.946 1.00 0.00 H new ATOM 0 HA SER A 76 -18.047 2.315 -19.485 1.00 0.00 H new ATOM 0 HB2 SER A 76 -18.892 0.271 -18.375 1.00 0.00 H new ATOM 0 HB3 SER A 76 -17.660 1.057 -17.407 1.00 0.00 H new ATOM 0 HG SER A 76 -20.376 1.751 -16.970 1.00 0.00 H new ATOM 1156 N SER A 77 -20.226 2.541 -20.607 1.00 0.00 N ATOM 1157 CA SER A 77 -21.499 2.642 -21.312 1.00 0.00 C ATOM 1158 C SER A 77 -22.097 1.259 -21.554 1.00 0.00 C ATOM 1159 O SER A 77 -21.399 0.332 -21.964 1.00 0.00 O ATOM 1160 CB SER A 77 -21.312 3.370 -22.645 1.00 0.00 C ATOM 1161 OG SER A 77 -20.749 2.510 -23.621 1.00 0.00 O ATOM 0 H SER A 77 -19.409 2.501 -21.216 1.00 0.00 H new ATOM 0 HA SER A 77 -22.187 3.212 -20.688 1.00 0.00 H new ATOM 0 HB2 SER A 77 -22.273 3.744 -22.997 1.00 0.00 H new ATOM 0 HB3 SER A 77 -20.666 4.236 -22.502 1.00 0.00 H new ATOM 0 HG SER A 77 -20.641 2.998 -24.464 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.395 1.129 -21.298 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.066 -0.143 -21.494 1.00 0.00 C ATOM 1169 C GLY A 78 -24.996 -0.490 -20.348 1.00 0.00 C ATOM 1170 O GLY A 78 -25.487 0.396 -19.648 1.00 0.00 O ATOM 0 H GLY A 78 -23.994 1.882 -20.958 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.635 -0.111 -22.423 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -23.320 -0.931 -21.604 1.00 0.00 H new TER 1174 GLY A 78