USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot -101:sc= 0.553 USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0.504 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 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 46:sc= 0.0112 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= 0.65 (180deg=0.0952) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.38 K(o=-0.38,f=-1.4) USER MOD Single : A 32 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.5!) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.876 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 GLN : amide:sc=-0.00849 K(o=-0.0085,f=-1.4) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 38:sc= 0.355 USER MOD Single : A 59 CYS SG : rot 25:sc= 0.178 USER MOD Single : A 67 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.29) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-3.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -15:sc= 0.726 USER MOD Single : A 81 CYS SG : rot -89:sc= 0.0538 USER MOD Single : A 85 ASN : amide:sc= -7.25! C(o=-7.2!,f=-26!) USER MOD Single : A 89 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.0067) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -90:sc= 0.534 USER MOD Single : A 97 THR OG1 : rot 140:sc= 0.01 USER MOD Single : A 99 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.262 8.077 -14.584 1.00 0.00 N ATOM 2 CA GLY A 1 24.270 8.403 -13.592 1.00 0.00 C ATOM 3 C GLY A 1 23.709 8.431 -12.184 1.00 0.00 C ATOM 4 O GLY A 1 23.484 9.501 -11.619 1.00 0.00 O ATOM 0 H1 GLY A 1 23.695 8.070 -15.530 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.864 7.138 -14.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.504 8.788 -14.555 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.077 7.672 -13.644 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.705 9.375 -13.826 1.00 0.00 H new ATOM 8 N SER A 2 23.481 7.251 -11.616 1.00 0.00 N ATOM 9 CA SER A 2 22.938 7.144 -10.267 1.00 0.00 C ATOM 10 C SER A 2 23.856 7.824 -9.256 1.00 0.00 C ATOM 11 O SER A 2 25.064 7.929 -9.470 1.00 0.00 O ATOM 12 CB SER A 2 22.743 5.675 -9.887 1.00 0.00 C ATOM 13 OG SER A 2 21.470 5.207 -10.300 1.00 0.00 O ATOM 0 H SER A 2 23.664 6.356 -12.069 1.00 0.00 H new ATOM 0 HA SER A 2 21.971 7.648 -10.251 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.524 5.070 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.845 5.558 -8.808 1.00 0.00 H new ATOM 0 HG SER A 2 21.370 4.265 -10.047 1.00 0.00 H new ATOM 19 N SER A 3 23.274 8.285 -8.153 1.00 0.00 N ATOM 20 CA SER A 3 24.038 8.959 -7.110 1.00 0.00 C ATOM 21 C SER A 3 24.487 7.968 -6.039 1.00 0.00 C ATOM 22 O SER A 3 23.824 6.961 -5.793 1.00 0.00 O ATOM 23 CB SER A 3 23.202 10.071 -6.474 1.00 0.00 C ATOM 24 OG SER A 3 21.983 9.563 -5.961 1.00 0.00 O ATOM 0 H SER A 3 22.276 8.204 -7.959 1.00 0.00 H new ATOM 0 HA SER A 3 24.924 9.398 -7.569 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.769 10.543 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.995 10.843 -7.215 1.00 0.00 H new ATOM 0 HG SER A 3 21.468 10.293 -5.558 1.00 0.00 H new ATOM 30 N GLY A 4 25.617 8.263 -5.405 1.00 0.00 N ATOM 31 CA GLY A 4 26.136 7.390 -4.369 1.00 0.00 C ATOM 32 C GLY A 4 25.814 7.890 -2.974 1.00 0.00 C ATOM 33 O GLY A 4 26.529 8.730 -2.428 1.00 0.00 O ATOM 0 H GLY A 4 26.183 9.091 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.720 6.391 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.217 7.302 -4.480 1.00 0.00 H new ATOM 37 N SER A 5 24.733 7.374 -2.398 1.00 0.00 N ATOM 38 CA SER A 5 24.314 7.777 -1.061 1.00 0.00 C ATOM 39 C SER A 5 24.193 6.566 -0.141 1.00 0.00 C ATOM 40 O SER A 5 23.930 5.452 -0.594 1.00 0.00 O ATOM 41 CB SER A 5 22.977 8.519 -1.124 1.00 0.00 C ATOM 42 OG SER A 5 23.086 9.701 -1.898 1.00 0.00 O ATOM 0 H SER A 5 24.132 6.676 -2.836 1.00 0.00 H new ATOM 0 HA SER A 5 25.074 8.445 -0.656 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.216 7.868 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.649 8.770 -0.115 1.00 0.00 H new ATOM 0 HG SER A 5 22.218 10.156 -1.924 1.00 0.00 H new ATOM 48 N SER A 6 24.387 6.792 1.155 1.00 0.00 N ATOM 49 CA SER A 6 24.304 5.720 2.139 1.00 0.00 C ATOM 50 C SER A 6 22.851 5.346 2.414 1.00 0.00 C ATOM 51 O SER A 6 21.969 6.204 2.427 1.00 0.00 O ATOM 52 CB SER A 6 24.989 6.140 3.441 1.00 0.00 C ATOM 53 OG SER A 6 24.997 5.078 4.379 1.00 0.00 O ATOM 0 H SER A 6 24.603 7.708 1.547 1.00 0.00 H new ATOM 0 HA SER A 6 24.815 4.847 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.012 6.453 3.233 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.473 7.001 3.866 1.00 0.00 H new ATOM 0 HG SER A 6 25.442 5.371 5.202 1.00 0.00 H new ATOM 59 N GLY A 7 22.609 4.057 2.632 1.00 0.00 N ATOM 60 CA GLY A 7 21.262 3.590 2.902 1.00 0.00 C ATOM 61 C GLY A 7 20.992 2.222 2.309 1.00 0.00 C ATOM 62 O GLY A 7 20.827 2.085 1.098 1.00 0.00 O ATOM 0 H GLY A 7 23.322 3.328 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.103 3.553 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.545 4.305 2.498 1.00 0.00 H new ATOM 66 N MET A 8 20.948 1.206 3.165 1.00 0.00 N ATOM 67 CA MET A 8 20.697 -0.159 2.718 1.00 0.00 C ATOM 68 C MET A 8 19.225 -0.354 2.367 1.00 0.00 C ATOM 69 O MET A 8 18.340 0.093 3.095 1.00 0.00 O ATOM 70 CB MET A 8 21.111 -1.158 3.800 1.00 0.00 C ATOM 71 CG MET A 8 20.274 -1.065 5.065 1.00 0.00 C ATOM 72 SD MET A 8 20.974 -2.010 6.433 1.00 0.00 S ATOM 73 CE MET A 8 19.573 -2.082 7.547 1.00 0.00 C ATOM 0 H MET A 8 21.083 1.302 4.171 1.00 0.00 H new ATOM 0 HA MET A 8 21.293 -0.336 1.823 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.036 -2.168 3.398 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.158 -0.993 4.054 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.183 -0.020 5.360 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.267 -1.426 4.857 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.849 -2.637 8.444 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.276 -1.070 7.823 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.740 -2.583 7.053 1.00 0.00 H new ATOM 83 N GLU A 9 18.972 -1.024 1.247 1.00 0.00 N ATOM 84 CA GLU A 9 17.607 -1.276 0.800 1.00 0.00 C ATOM 85 C GLU A 9 16.803 -1.987 1.884 1.00 0.00 C ATOM 86 O GLU A 9 17.350 -2.413 2.901 1.00 0.00 O ATOM 87 CB GLU A 9 17.613 -2.115 -0.480 1.00 0.00 C ATOM 88 CG GLU A 9 17.956 -1.320 -1.728 1.00 0.00 C ATOM 89 CD GLU A 9 18.631 -2.165 -2.791 1.00 0.00 C ATOM 90 OE1 GLU A 9 17.910 -2.792 -3.595 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.879 -2.199 -2.819 1.00 0.00 O ATOM 0 H GLU A 9 19.694 -1.402 0.633 1.00 0.00 H new ATOM 0 HA GLU A 9 17.136 -0.315 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.331 -2.927 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.632 -2.572 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.045 -0.885 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.611 -0.491 -1.458 1.00 0.00 H new ATOM 98 N VAL A 10 15.498 -2.111 1.659 1.00 0.00 N ATOM 99 CA VAL A 10 14.617 -2.770 2.615 1.00 0.00 C ATOM 100 C VAL A 10 13.548 -3.591 1.902 1.00 0.00 C ATOM 101 O VAL A 10 13.203 -3.315 0.754 1.00 0.00 O ATOM 102 CB VAL A 10 13.931 -1.749 3.543 1.00 0.00 C ATOM 103 CG1 VAL A 10 12.679 -2.350 4.165 1.00 0.00 C ATOM 104 CG2 VAL A 10 14.896 -1.275 4.619 1.00 0.00 C ATOM 0 H VAL A 10 15.028 -1.763 0.823 1.00 0.00 H new ATOM 0 HA VAL A 10 15.240 -3.433 3.215 1.00 0.00 H new ATOM 0 HB VAL A 10 13.634 -0.885 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.208 -1.615 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.982 -2.635 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.949 -3.231 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.395 -0.554 5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.226 -2.127 5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.760 -0.803 4.151 1.00 0.00 H new ATOM 114 N ALA A 11 13.028 -4.601 2.592 1.00 0.00 N ATOM 115 CA ALA A 11 11.996 -5.461 2.025 1.00 0.00 C ATOM 116 C ALA A 11 10.604 -4.904 2.303 1.00 0.00 C ATOM 117 O ALA A 11 10.402 -4.093 3.207 1.00 0.00 O ATOM 118 CB ALA A 11 12.122 -6.872 2.580 1.00 0.00 C ATOM 0 H ALA A 11 13.304 -4.844 3.543 1.00 0.00 H new ATOM 0 HA ALA A 11 12.137 -5.493 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.345 -7.503 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.102 -7.277 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.009 -6.848 3.664 1.00 0.00 H new ATOM 124 N PRO A 12 9.619 -5.346 1.506 1.00 0.00 N ATOM 125 CA PRO A 12 8.229 -4.904 1.647 1.00 0.00 C ATOM 126 C PRO A 12 7.576 -5.440 2.917 1.00 0.00 C ATOM 127 O PRO A 12 7.610 -6.641 3.185 1.00 0.00 O ATOM 128 CB PRO A 12 7.544 -5.486 0.407 1.00 0.00 C ATOM 129 CG PRO A 12 8.374 -6.666 0.035 1.00 0.00 C ATOM 130 CD PRO A 12 9.787 -6.312 0.408 1.00 0.00 C ATOM 0 HA PRO A 12 8.152 -3.819 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.516 -5.777 0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.506 -4.758 -0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.043 -7.559 0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.293 -6.879 -1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.350 -7.189 0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.327 -5.875 -0.432 1.00 0.00 H new ATOM 138 N SER A 13 6.980 -4.541 3.695 1.00 0.00 N ATOM 139 CA SER A 13 6.322 -4.924 4.938 1.00 0.00 C ATOM 140 C SER A 13 5.141 -4.004 5.233 1.00 0.00 C ATOM 141 O SER A 13 5.264 -2.780 5.181 1.00 0.00 O ATOM 142 CB SER A 13 7.316 -4.884 6.100 1.00 0.00 C ATOM 143 OG SER A 13 8.065 -3.681 6.089 1.00 0.00 O ATOM 0 H SER A 13 6.940 -3.543 3.486 1.00 0.00 H new ATOM 0 HA SER A 13 5.949 -5.942 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.780 -4.974 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.991 -5.737 6.035 1.00 0.00 H new ATOM 0 HG SER A 13 7.462 -2.922 5.944 1.00 0.00 H new ATOM 149 N PHE A 14 3.995 -4.603 5.543 1.00 0.00 N ATOM 150 CA PHE A 14 2.791 -3.839 5.845 1.00 0.00 C ATOM 151 C PHE A 14 2.786 -3.385 7.302 1.00 0.00 C ATOM 152 O PHE A 14 2.513 -4.172 8.208 1.00 0.00 O ATOM 153 CB PHE A 14 1.544 -4.677 5.556 1.00 0.00 C ATOM 154 CG PHE A 14 1.237 -4.811 4.092 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.641 -3.771 3.398 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.546 -5.976 3.410 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.357 -3.892 2.051 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.265 -6.103 2.062 1.00 0.00 C ATOM 159 CZ PHE A 14 0.671 -5.059 1.382 1.00 0.00 C ATOM 0 H PHE A 14 3.876 -5.615 5.591 1.00 0.00 H new ATOM 0 HA PHE A 14 2.782 -2.955 5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.677 -5.671 5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.688 -4.226 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.395 -2.855 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.012 -6.795 3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.110 -3.075 1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.510 -7.017 1.542 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.452 -5.154 0.329 1.00 0.00 H new ATOM 169 N SER A 15 3.091 -2.109 7.519 1.00 0.00 N ATOM 170 CA SER A 15 3.126 -1.551 8.866 1.00 0.00 C ATOM 171 C SER A 15 1.765 -1.678 9.542 1.00 0.00 C ATOM 172 O SER A 15 1.677 -1.967 10.736 1.00 0.00 O ATOM 173 CB SER A 15 3.551 -0.081 8.820 1.00 0.00 C ATOM 174 OG SER A 15 3.909 0.386 10.108 1.00 0.00 O ATOM 0 H SER A 15 3.317 -1.443 6.780 1.00 0.00 H new ATOM 0 HA SER A 15 3.855 -2.115 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.395 0.036 8.140 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.736 0.524 8.424 1.00 0.00 H new ATOM 0 HG SER A 15 4.178 1.327 10.052 1.00 0.00 H new ATOM 180 N SER A 16 0.705 -1.459 8.771 1.00 0.00 N ATOM 181 CA SER A 16 -0.653 -1.544 9.296 1.00 0.00 C ATOM 182 C SER A 16 -1.602 -2.132 8.255 1.00 0.00 C ATOM 183 O SER A 16 -1.965 -1.467 7.284 1.00 0.00 O ATOM 184 CB SER A 16 -1.144 -0.161 9.727 1.00 0.00 C ATOM 185 OG SER A 16 -2.099 -0.261 10.769 1.00 0.00 O ATOM 0 H SER A 16 0.760 -1.221 7.781 1.00 0.00 H new ATOM 0 HA SER A 16 -0.640 -2.203 10.164 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.299 0.441 10.061 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.585 0.354 8.874 1.00 0.00 H new ATOM 0 HG SER A 16 -2.396 0.636 11.028 1.00 0.00 H new ATOM 191 N VAL A 17 -1.999 -3.382 8.465 1.00 0.00 N ATOM 192 CA VAL A 17 -2.906 -4.061 7.547 1.00 0.00 C ATOM 193 C VAL A 17 -4.297 -3.437 7.588 1.00 0.00 C ATOM 194 O VAL A 17 -4.634 -2.704 8.519 1.00 0.00 O ATOM 195 CB VAL A 17 -3.018 -5.561 7.874 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.647 -6.219 7.840 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.682 -5.763 9.228 1.00 0.00 C ATOM 0 H VAL A 17 -1.707 -3.946 9.263 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.488 -3.946 6.547 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.641 -6.035 7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.746 -7.279 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.213 -6.105 6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.997 -5.745 8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.753 -6.829 9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.088 -5.276 10.001 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.682 -5.329 9.211 1.00 0.00 H new ATOM 207 N LEU A 18 -5.102 -3.734 6.573 1.00 0.00 N ATOM 208 CA LEU A 18 -6.459 -3.203 6.493 1.00 0.00 C ATOM 209 C LEU A 18 -7.319 -3.732 7.636 1.00 0.00 C ATOM 210 O LEU A 18 -6.935 -4.671 8.334 1.00 0.00 O ATOM 211 CB LEU A 18 -7.093 -3.571 5.150 1.00 0.00 C ATOM 212 CG LEU A 18 -6.367 -3.064 3.904 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.583 -4.014 2.737 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.837 -1.661 3.547 1.00 0.00 C ATOM 0 H LEU A 18 -4.839 -4.339 5.795 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.404 -2.118 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.162 -4.657 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.112 -3.185 5.134 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.299 -3.024 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.059 -3.637 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.197 -5.000 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.649 -4.087 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.310 -1.316 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.909 -1.675 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.629 -0.986 4.377 1.00 0.00 H new ATOM 226 N LYS A 19 -8.486 -3.124 7.822 1.00 0.00 N ATOM 227 CA LYS A 19 -9.403 -3.535 8.878 1.00 0.00 C ATOM 228 C LYS A 19 -10.831 -3.633 8.350 1.00 0.00 C ATOM 229 O LYS A 19 -11.165 -3.044 7.322 1.00 0.00 O ATOM 230 CB LYS A 19 -9.347 -2.546 10.045 1.00 0.00 C ATOM 231 CG LYS A 19 -7.948 -2.342 10.602 1.00 0.00 C ATOM 232 CD LYS A 19 -7.520 -3.510 11.474 1.00 0.00 C ATOM 233 CE LYS A 19 -6.212 -3.219 12.193 1.00 0.00 C ATOM 234 NZ LYS A 19 -5.041 -3.319 11.278 1.00 0.00 N ATOM 0 H LYS A 19 -8.819 -2.344 7.255 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.095 -4.520 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.742 -1.585 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.999 -2.901 10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.242 -2.222 9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.918 -1.421 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.299 -3.724 12.206 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.407 -4.403 10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.250 -2.219 12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.088 -3.919 13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.276 -2.707 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.709 -4.304 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.320 -3.016 10.323 1.00 0.00 H new ATOM 248 N ASP A 20 -11.670 -4.379 9.061 1.00 0.00 N ATOM 249 CA ASP A 20 -13.062 -4.552 8.665 1.00 0.00 C ATOM 250 C ASP A 20 -13.791 -3.212 8.643 1.00 0.00 C ATOM 251 O ASP A 20 -13.711 -2.435 9.594 1.00 0.00 O ATOM 252 CB ASP A 20 -13.770 -5.516 9.620 1.00 0.00 C ATOM 253 CG ASP A 20 -12.879 -6.665 10.048 1.00 0.00 C ATOM 254 OD1 ASP A 20 -12.061 -6.471 10.971 1.00 0.00 O ATOM 255 OD2 ASP A 20 -13.000 -7.760 9.459 1.00 0.00 O ATOM 0 H ASP A 20 -11.410 -4.873 9.914 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.079 -4.971 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.103 -4.970 10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.662 -5.913 9.136 1.00 0.00 H new ATOM 260 N CYS A 21 -14.501 -2.949 7.551 1.00 0.00 N ATOM 261 CA CYS A 21 -15.243 -1.702 7.403 1.00 0.00 C ATOM 262 C CYS A 21 -16.590 -1.947 6.732 1.00 0.00 C ATOM 263 O CYS A 21 -16.717 -2.819 5.873 1.00 0.00 O ATOM 264 CB CYS A 21 -14.430 -0.694 6.589 1.00 0.00 C ATOM 265 SG CYS A 21 -13.317 0.329 7.581 1.00 0.00 S ATOM 0 H CYS A 21 -14.578 -3.583 6.755 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.422 -1.295 8.398 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.844 -1.233 5.844 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.116 -0.044 6.046 1.00 0.00 H new ATOM 0 HG CYS A 21 -12.672 1.148 6.804 1.00 0.00 H new ATOM 271 N ALA A 22 -17.594 -1.174 7.132 1.00 0.00 N ATOM 272 CA ALA A 22 -18.932 -1.307 6.569 1.00 0.00 C ATOM 273 C ALA A 22 -19.408 0.011 5.967 1.00 0.00 C ATOM 274 O ALA A 22 -19.082 1.087 6.467 1.00 0.00 O ATOM 275 CB ALA A 22 -19.908 -1.784 7.635 1.00 0.00 C ATOM 0 H ALA A 22 -17.506 -0.449 7.844 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.891 -2.048 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.903 -1.879 7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.585 -2.752 8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.936 -1.063 8.452 1.00 0.00 H new ATOM 281 N VAL A 23 -20.179 -0.081 4.888 1.00 0.00 N ATOM 282 CA VAL A 23 -20.699 1.104 4.217 1.00 0.00 C ATOM 283 C VAL A 23 -22.079 0.839 3.626 1.00 0.00 C ATOM 284 O VAL A 23 -22.462 -0.311 3.407 1.00 0.00 O ATOM 285 CB VAL A 23 -19.754 1.574 3.095 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.979 0.760 1.831 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.947 3.059 2.825 1.00 0.00 C ATOM 0 H VAL A 23 -20.457 -0.964 4.460 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.774 1.888 4.971 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.725 1.417 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.302 1.107 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.786 -0.293 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -21.010 0.882 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.272 3.375 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.977 3.243 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.730 3.625 3.731 1.00 0.00 H new ATOM 297 N ILE A 24 -22.822 1.910 3.368 1.00 0.00 N ATOM 298 CA ILE A 24 -24.160 1.793 2.801 1.00 0.00 C ATOM 299 C ILE A 24 -24.147 2.072 1.302 1.00 0.00 C ATOM 300 O ILE A 24 -23.369 2.894 0.821 1.00 0.00 O ATOM 301 CB ILE A 24 -25.147 2.758 3.483 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.405 2.322 4.926 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.451 2.821 2.701 1.00 0.00 C ATOM 304 CD1 ILE A 24 -24.289 2.692 5.878 1.00 0.00 C ATOM 0 H ILE A 24 -22.520 2.869 3.543 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.488 0.768 2.975 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.707 3.755 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -26.333 2.775 5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.549 1.242 4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -27.139 3.507 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.252 3.173 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.898 1.828 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -24.540 2.352 6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -23.363 2.217 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -24.159 3.774 5.883 1.00 0.00 H new ATOM 316 N GLU A 25 -25.015 1.381 0.569 1.00 0.00 N ATOM 317 CA GLU A 25 -25.104 1.556 -0.876 1.00 0.00 C ATOM 318 C GLU A 25 -25.195 3.035 -1.240 1.00 0.00 C ATOM 319 O GLU A 25 -25.942 3.793 -0.623 1.00 0.00 O ATOM 320 CB GLU A 25 -26.319 0.808 -1.429 1.00 0.00 C ATOM 321 CG GLU A 25 -26.527 1.004 -2.921 1.00 0.00 C ATOM 322 CD GLU A 25 -27.424 2.186 -3.234 1.00 0.00 C ATOM 323 OE1 GLU A 25 -28.291 2.512 -2.396 1.00 0.00 O ATOM 324 OE2 GLU A 25 -27.259 2.785 -4.317 1.00 0.00 O ATOM 0 H GLU A 25 -25.666 0.695 0.952 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.199 1.144 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.204 -0.256 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.212 1.141 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.560 1.149 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.963 0.099 -3.345 1.00 0.00 H new ATOM 331 N GLY A 26 -24.428 3.438 -2.249 1.00 0.00 N ATOM 332 CA GLY A 26 -24.436 4.824 -2.679 1.00 0.00 C ATOM 333 C GLY A 26 -23.363 5.649 -1.996 1.00 0.00 C ATOM 334 O GLY A 26 -22.819 6.582 -2.586 1.00 0.00 O ATOM 0 H GLY A 26 -23.802 2.829 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.291 4.867 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.413 5.260 -2.471 1.00 0.00 H new ATOM 338 N GLN A 27 -23.060 5.306 -0.748 1.00 0.00 N ATOM 339 CA GLN A 27 -22.046 6.024 0.016 1.00 0.00 C ATOM 340 C GLN A 27 -20.651 5.744 -0.532 1.00 0.00 C ATOM 341 O GLN A 27 -20.469 4.865 -1.375 1.00 0.00 O ATOM 342 CB GLN A 27 -22.116 5.629 1.493 1.00 0.00 C ATOM 343 CG GLN A 27 -23.318 6.207 2.221 1.00 0.00 C ATOM 344 CD GLN A 27 -23.373 7.720 2.146 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.350 8.383 1.977 1.00 0.00 O ATOM 346 NE2 GLN A 27 -24.573 8.276 2.271 1.00 0.00 N ATOM 0 H GLN A 27 -23.502 4.536 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.245 7.092 -0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.144 4.542 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.206 5.960 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -24.231 5.792 1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -23.287 5.900 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -25.395 7.689 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -24.672 9.290 2.228 1.00 0.00 H new ATOM 355 N ASP A 28 -19.669 6.497 -0.049 1.00 0.00 N ATOM 356 CA ASP A 28 -18.289 6.329 -0.491 1.00 0.00 C ATOM 357 C ASP A 28 -17.421 5.778 0.637 1.00 0.00 C ATOM 358 O ASP A 28 -17.754 5.915 1.814 1.00 0.00 O ATOM 359 CB ASP A 28 -17.723 7.662 -0.982 1.00 0.00 C ATOM 360 CG ASP A 28 -17.151 8.499 0.145 1.00 0.00 C ATOM 361 OD1 ASP A 28 -17.818 8.617 1.194 1.00 0.00 O ATOM 362 OD2 ASP A 28 -16.036 9.036 -0.022 1.00 0.00 O ATOM 0 H ASP A 28 -19.802 7.229 0.648 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.281 5.614 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.945 7.473 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.510 8.224 -1.485 1.00 0.00 H new ATOM 367 N PHE A 29 -16.307 5.155 0.268 1.00 0.00 N ATOM 368 CA PHE A 29 -15.392 4.582 1.248 1.00 0.00 C ATOM 369 C PHE A 29 -14.016 4.342 0.632 1.00 0.00 C ATOM 370 O PHE A 29 -13.900 3.781 -0.457 1.00 0.00 O ATOM 371 CB PHE A 29 -15.954 3.268 1.795 1.00 0.00 C ATOM 372 CG PHE A 29 -15.727 2.094 0.886 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.526 1.403 0.911 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.714 1.682 0.006 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.315 0.324 0.075 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.509 0.602 -0.833 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.307 -0.078 -0.797 1.00 0.00 C ATOM 0 H PHE A 29 -16.016 5.034 -0.702 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.285 5.293 2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.497 3.062 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -17.024 3.383 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.746 1.712 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.655 2.211 -0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.374 -0.205 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.287 0.291 -1.515 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.144 -0.923 -1.450 1.00 0.00 H new ATOM 387 N VAL A 30 -12.975 4.773 1.338 1.00 0.00 N ATOM 388 CA VAL A 30 -11.607 4.606 0.863 1.00 0.00 C ATOM 389 C VAL A 30 -10.765 3.835 1.873 1.00 0.00 C ATOM 390 O VAL A 30 -10.471 4.333 2.961 1.00 0.00 O ATOM 391 CB VAL A 30 -10.939 5.966 0.585 1.00 0.00 C ATOM 392 CG1 VAL A 30 -10.974 6.842 1.827 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.510 5.768 0.101 1.00 0.00 C ATOM 0 H VAL A 30 -13.054 5.241 2.241 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.662 4.040 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.498 6.472 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.498 7.798 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.009 7.011 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.440 6.346 2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.053 6.739 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.937 5.242 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.515 5.182 -0.818 1.00 0.00 H new ATOM 403 N LEU A 31 -10.378 2.618 1.507 1.00 0.00 N ATOM 404 CA LEU A 31 -9.568 1.777 2.381 1.00 0.00 C ATOM 405 C LEU A 31 -8.151 2.330 2.508 1.00 0.00 C ATOM 406 O LEU A 31 -7.404 2.375 1.531 1.00 0.00 O ATOM 407 CB LEU A 31 -9.523 0.345 1.846 1.00 0.00 C ATOM 408 CG LEU A 31 -10.865 -0.258 1.429 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.671 -1.270 0.311 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.553 -0.904 2.622 1.00 0.00 C ATOM 0 H LEU A 31 -10.612 2.192 0.611 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.027 1.774 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.854 0.321 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.082 -0.294 2.611 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.503 0.545 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.637 -1.689 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.222 -0.778 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.015 -2.070 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.506 -1.328 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.919 -1.695 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.727 -0.153 3.392 1.00 0.00 H new ATOM 422 N GLN A 32 -7.790 2.745 3.717 1.00 0.00 N ATOM 423 CA GLN A 32 -6.462 3.292 3.971 1.00 0.00 C ATOM 424 C GLN A 32 -5.617 2.316 4.781 1.00 0.00 C ATOM 425 O GLN A 32 -6.092 1.725 5.752 1.00 0.00 O ATOM 426 CB GLN A 32 -6.571 4.627 4.711 1.00 0.00 C ATOM 427 CG GLN A 32 -5.227 5.284 4.981 1.00 0.00 C ATOM 428 CD GLN A 32 -5.250 6.179 6.205 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.986 5.927 7.159 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.441 7.232 6.183 1.00 0.00 N ATOM 0 H GLN A 32 -8.397 2.713 4.536 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.974 3.455 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.188 5.308 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.085 4.467 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.470 4.512 5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.933 5.872 4.111 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.848 7.402 5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.413 7.870 6.978 1.00 0.00 H new ATOM 439 N CYS A 33 -4.363 2.149 4.376 1.00 0.00 N ATOM 440 CA CYS A 33 -3.450 1.242 5.064 1.00 0.00 C ATOM 441 C CYS A 33 -2.044 1.829 5.126 1.00 0.00 C ATOM 442 O CYS A 33 -1.803 2.940 4.653 1.00 0.00 O ATOM 443 CB CYS A 33 -3.419 -0.114 4.359 1.00 0.00 C ATOM 444 SG CYS A 33 -2.594 -0.092 2.751 1.00 0.00 S ATOM 0 H CYS A 33 -3.955 2.630 3.574 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.812 1.106 6.083 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.916 -0.835 5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.442 -0.465 4.225 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.617 -1.285 2.235 1.00 0.00 H new ATOM 450 N SER A 34 -1.120 1.077 5.714 1.00 0.00 N ATOM 451 CA SER A 34 0.262 1.525 5.843 1.00 0.00 C ATOM 452 C SER A 34 1.230 0.437 5.388 1.00 0.00 C ATOM 453 O SER A 34 1.182 -0.695 5.870 1.00 0.00 O ATOM 454 CB SER A 34 0.560 1.916 7.291 1.00 0.00 C ATOM 455 OG SER A 34 1.762 2.662 7.381 1.00 0.00 O ATOM 0 H SER A 34 -1.303 0.154 6.109 1.00 0.00 H new ATOM 0 HA SER A 34 0.397 2.397 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.267 2.503 7.690 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.639 1.018 7.905 1.00 0.00 H new ATOM 0 HG SER A 34 1.929 2.901 8.317 1.00 0.00 H new ATOM 461 N VAL A 35 2.110 0.788 4.456 1.00 0.00 N ATOM 462 CA VAL A 35 3.092 -0.156 3.936 1.00 0.00 C ATOM 463 C VAL A 35 4.437 0.522 3.701 1.00 0.00 C ATOM 464 O VAL A 35 4.498 1.643 3.197 1.00 0.00 O ATOM 465 CB VAL A 35 2.614 -0.794 2.618 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.262 0.282 1.601 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.674 -1.734 2.066 1.00 0.00 C ATOM 0 H VAL A 35 2.163 1.720 4.045 1.00 0.00 H new ATOM 0 HA VAL A 35 3.209 -0.936 4.688 1.00 0.00 H new ATOM 0 HB VAL A 35 1.715 -1.376 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.926 -0.187 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.466 0.912 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.141 0.894 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.319 -2.176 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.592 -1.177 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.872 -2.524 2.790 1.00 0.00 H new ATOM 477 N ARG A 36 5.512 -0.166 4.070 1.00 0.00 N ATOM 478 CA ARG A 36 6.858 0.370 3.900 1.00 0.00 C ATOM 479 C ARG A 36 7.690 -0.527 2.990 1.00 0.00 C ATOM 480 O ARG A 36 7.213 -1.554 2.508 1.00 0.00 O ATOM 481 CB ARG A 36 7.546 0.516 5.258 1.00 0.00 C ATOM 482 CG ARG A 36 6.882 1.533 6.172 1.00 0.00 C ATOM 483 CD ARG A 36 6.631 2.849 5.453 1.00 0.00 C ATOM 484 NE ARG A 36 6.635 3.984 6.371 1.00 0.00 N ATOM 485 CZ ARG A 36 6.432 5.240 5.988 1.00 0.00 C ATOM 486 NH1 ARG A 36 6.210 5.519 4.711 1.00 0.00 N ATOM 487 NH2 ARG A 36 6.451 6.219 6.883 1.00 0.00 N ATOM 0 H ARG A 36 5.478 -1.096 4.489 1.00 0.00 H new ATOM 0 HA ARG A 36 6.775 1.352 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.558 -0.454 5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.585 0.806 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.937 1.132 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.514 1.708 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.396 2.997 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.672 2.803 4.938 1.00 0.00 H new ATOM 0 HE ARG A 36 6.803 3.803 7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.195 4.769 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.054 6.484 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.622 6.008 7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.295 7.183 6.588 1.00 0.00 H new ATOM 501 N GLY A 37 8.938 -0.132 2.757 1.00 0.00 N ATOM 502 CA GLY A 37 9.816 -0.911 1.904 1.00 0.00 C ATOM 503 C GLY A 37 10.638 -0.044 0.971 1.00 0.00 C ATOM 504 O GLY A 37 10.170 0.994 0.503 1.00 0.00 O ATOM 0 H GLY A 37 9.357 0.714 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.485 -1.507 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.220 -1.609 1.316 1.00 0.00 H new ATOM 508 N THR A 38 11.868 -0.469 0.701 1.00 0.00 N ATOM 509 CA THR A 38 12.758 0.277 -0.180 1.00 0.00 C ATOM 510 C THR A 38 13.452 -0.648 -1.173 1.00 0.00 C ATOM 511 O THR A 38 14.117 -1.614 -0.798 1.00 0.00 O ATOM 512 CB THR A 38 13.826 1.046 0.621 1.00 0.00 C ATOM 513 OG1 THR A 38 13.221 2.136 1.325 1.00 0.00 O ATOM 514 CG2 THR A 38 14.917 1.573 -0.299 1.00 0.00 C ATOM 0 H THR A 38 12.271 -1.326 1.080 1.00 0.00 H new ATOM 0 HA THR A 38 12.139 0.990 -0.724 1.00 0.00 H new ATOM 0 HB THR A 38 14.277 0.358 1.336 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.907 2.618 1.833 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.660 2.112 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.396 0.738 -0.811 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.478 2.246 -1.035 1.00 0.00 H new ATOM 522 N PRO A 39 13.297 -0.348 -2.471 1.00 0.00 N ATOM 523 CA PRO A 39 12.507 0.799 -2.929 1.00 0.00 C ATOM 524 C PRO A 39 11.013 0.605 -2.694 1.00 0.00 C ATOM 525 O PRO A 39 10.583 -0.431 -2.187 1.00 0.00 O ATOM 526 CB PRO A 39 12.809 0.861 -4.428 1.00 0.00 C ATOM 527 CG PRO A 39 13.187 -0.533 -4.796 1.00 0.00 C ATOM 528 CD PRO A 39 13.879 -1.106 -3.591 1.00 0.00 C ATOM 0 HA PRO A 39 12.763 1.711 -2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.940 1.198 -4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.618 1.560 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.306 -1.120 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.845 -0.542 -5.665 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.694 -2.176 -3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.959 -0.974 -3.647 1.00 0.00 H new ATOM 536 N VAL A 40 10.225 1.609 -3.066 1.00 0.00 N ATOM 537 CA VAL A 40 8.779 1.549 -2.897 1.00 0.00 C ATOM 538 C VAL A 40 8.183 0.377 -3.670 1.00 0.00 C ATOM 539 O VAL A 40 8.367 0.242 -4.880 1.00 0.00 O ATOM 540 CB VAL A 40 8.104 2.853 -3.364 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.591 2.737 -3.261 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.613 4.035 -2.553 1.00 0.00 C ATOM 0 H VAL A 40 10.565 2.474 -3.487 1.00 0.00 H new ATOM 0 HA VAL A 40 8.591 1.412 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 40 8.361 3.021 -4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.131 3.667 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.245 1.916 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.310 2.545 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.126 4.948 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.387 3.877 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.691 4.128 -2.683 1.00 0.00 H new ATOM 552 N PRO A 41 7.453 -0.492 -2.956 1.00 0.00 N ATOM 553 CA PRO A 41 6.814 -1.668 -3.555 1.00 0.00 C ATOM 554 C PRO A 41 5.654 -1.295 -4.472 1.00 0.00 C ATOM 555 O PRO A 41 5.096 -0.203 -4.368 1.00 0.00 O ATOM 556 CB PRO A 41 6.306 -2.452 -2.342 1.00 0.00 C ATOM 557 CG PRO A 41 6.125 -1.426 -1.277 1.00 0.00 C ATOM 558 CD PRO A 41 7.193 -0.394 -1.510 1.00 0.00 C ATOM 0 HA PRO A 41 7.504 -2.230 -4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.368 -2.962 -2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.020 -3.217 -2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.132 -0.979 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.221 -1.871 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.856 0.604 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.089 -0.604 -0.926 1.00 0.00 H new ATOM 566 N ARG A 42 5.297 -2.208 -5.368 1.00 0.00 N ATOM 567 CA ARG A 42 4.203 -1.974 -6.304 1.00 0.00 C ATOM 568 C ARG A 42 2.853 -2.196 -5.628 1.00 0.00 C ATOM 569 O ARG A 42 2.600 -3.259 -5.060 1.00 0.00 O ATOM 570 CB ARG A 42 4.336 -2.895 -7.518 1.00 0.00 C ATOM 571 CG ARG A 42 5.301 -2.377 -8.572 1.00 0.00 C ATOM 572 CD ARG A 42 6.732 -2.358 -8.056 1.00 0.00 C ATOM 573 NE ARG A 42 7.292 -3.702 -7.947 1.00 0.00 N ATOM 574 CZ ARG A 42 7.591 -4.461 -8.996 1.00 0.00 C ATOM 575 NH1 ARG A 42 7.384 -4.010 -10.225 1.00 0.00 N ATOM 576 NH2 ARG A 42 8.098 -5.674 -8.816 1.00 0.00 N ATOM 0 H ARG A 42 5.749 -3.117 -5.466 1.00 0.00 H new ATOM 0 HA ARG A 42 4.257 -0.937 -6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.670 -3.877 -7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.354 -3.029 -7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.242 -3.005 -9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.008 -1.371 -8.872 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.351 -1.761 -8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.759 -1.874 -7.080 1.00 0.00 H new ATOM 0 HE ARG A 42 7.463 -4.079 -7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.994 -3.078 -10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.614 -4.595 -11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.259 -6.025 -7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.327 -6.256 -9.622 1.00 0.00 H new ATOM 590 N ILE A 43 1.991 -1.187 -5.695 1.00 0.00 N ATOM 591 CA ILE A 43 0.667 -1.274 -5.091 1.00 0.00 C ATOM 592 C ILE A 43 -0.377 -1.709 -6.114 1.00 0.00 C ATOM 593 O ILE A 43 -0.737 -0.948 -7.013 1.00 0.00 O ATOM 594 CB ILE A 43 0.239 0.073 -4.478 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.334 0.609 -3.554 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.072 -0.082 -3.722 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.799 -0.396 -2.522 1.00 0.00 C ATOM 0 H ILE A 43 2.185 -0.301 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 43 0.729 -2.021 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 43 0.088 0.791 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.187 0.920 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.964 1.498 -3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.361 0.878 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.849 -0.423 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.947 -0.812 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.576 0.052 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.957 -0.689 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.199 -1.276 -3.026 1.00 0.00 H new ATOM 609 N THR A 44 -0.862 -2.938 -5.970 1.00 0.00 N ATOM 610 CA THR A 44 -1.866 -3.475 -6.880 1.00 0.00 C ATOM 611 C THR A 44 -3.055 -4.044 -6.114 1.00 0.00 C ATOM 612 O THR A 44 -2.918 -5.013 -5.367 1.00 0.00 O ATOM 613 CB THR A 44 -1.275 -4.576 -7.781 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.193 -4.048 -8.555 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.339 -5.145 -8.708 1.00 0.00 C ATOM 0 H THR A 44 -0.576 -3.581 -5.231 1.00 0.00 H new ATOM 0 HA THR A 44 -2.203 -2.647 -7.504 1.00 0.00 H new ATOM 0 HB THR A 44 -0.905 -5.378 -7.142 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.178 -4.755 -9.124 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.899 -5.921 -9.335 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.147 -5.573 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.735 -4.349 -9.340 1.00 0.00 H new ATOM 623 N TRP A 45 -4.220 -3.437 -6.305 1.00 0.00 N ATOM 624 CA TRP A 45 -5.434 -3.884 -5.631 1.00 0.00 C ATOM 625 C TRP A 45 -6.174 -4.918 -6.473 1.00 0.00 C ATOM 626 O TRP A 45 -6.372 -4.729 -7.674 1.00 0.00 O ATOM 627 CB TRP A 45 -6.350 -2.694 -5.343 1.00 0.00 C ATOM 628 CG TRP A 45 -5.729 -1.672 -4.439 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.822 -0.712 -4.788 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.968 -1.509 -3.037 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.483 0.037 -3.687 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.173 -0.432 -2.601 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.778 -2.168 -2.108 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.165 -0.001 -1.277 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.769 -1.739 -0.794 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.968 -0.664 -0.389 1.00 0.00 C ATOM 0 H TRP A 45 -4.350 -2.634 -6.921 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.146 -4.348 -4.688 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.622 -2.218 -6.285 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.273 -3.056 -4.890 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.429 -0.564 -5.783 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.824 0.816 -3.680 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.400 -2.997 -2.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.547 0.827 -0.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.390 -2.241 -0.067 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.984 -0.352 0.645 1.00 0.00 H new ATOM 647 N LEU A 46 -6.580 -6.011 -5.837 1.00 0.00 N ATOM 648 CA LEU A 46 -7.299 -7.076 -6.528 1.00 0.00 C ATOM 649 C LEU A 46 -8.630 -7.369 -5.842 1.00 0.00 C ATOM 650 O LEU A 46 -8.668 -7.719 -4.662 1.00 0.00 O ATOM 651 CB LEU A 46 -6.447 -8.345 -6.576 1.00 0.00 C ATOM 652 CG LEU A 46 -5.000 -8.166 -7.038 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.132 -9.304 -6.526 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.931 -8.079 -8.555 1.00 0.00 C ATOM 0 H LEU A 46 -6.424 -6.183 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.502 -6.743 -7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.437 -8.790 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.933 -9.060 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.619 -7.232 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.106 -9.160 -6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.156 -9.318 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.511 -10.251 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.894 -7.952 -8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.330 -8.995 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.519 -7.228 -8.898 1.00 0.00 H new ATOM 666 N LEU A 47 -9.719 -7.226 -6.589 1.00 0.00 N ATOM 667 CA LEU A 47 -11.052 -7.477 -6.054 1.00 0.00 C ATOM 668 C LEU A 47 -11.573 -8.837 -6.507 1.00 0.00 C ATOM 669 O LEU A 47 -11.587 -9.142 -7.699 1.00 0.00 O ATOM 670 CB LEU A 47 -12.017 -6.376 -6.497 1.00 0.00 C ATOM 671 CG LEU A 47 -13.432 -6.451 -5.922 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.517 -5.682 -4.612 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.444 -5.916 -6.924 1.00 0.00 C ATOM 0 H LEU A 47 -9.705 -6.937 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.985 -7.477 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.587 -5.412 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.087 -6.398 -7.585 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.668 -7.496 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.531 -5.746 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.820 -6.111 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.261 -4.637 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.445 -5.977 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.211 -4.877 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.401 -6.510 -7.837 1.00 0.00 H new ATOM 685 N ASN A 48 -12.003 -9.650 -5.548 1.00 0.00 N ATOM 686 CA ASN A 48 -12.527 -10.978 -5.848 1.00 0.00 C ATOM 687 C ASN A 48 -11.554 -11.761 -6.723 1.00 0.00 C ATOM 688 O ASN A 48 -11.959 -12.621 -7.505 1.00 0.00 O ATOM 689 CB ASN A 48 -13.884 -10.867 -6.547 1.00 0.00 C ATOM 690 CG ASN A 48 -15.023 -10.659 -5.569 1.00 0.00 C ATOM 691 OD1 ASN A 48 -15.197 -11.433 -4.627 1.00 0.00 O ATOM 692 ND2 ASN A 48 -15.807 -9.609 -5.788 1.00 0.00 N ATOM 0 H ASN A 48 -11.999 -9.413 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.653 -11.513 -4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.859 -10.037 -7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.067 -11.772 -7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.590 -9.418 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.626 -8.994 -6.581 1.00 0.00 H new ATOM 699 N GLY A 49 -10.267 -11.458 -6.585 1.00 0.00 N ATOM 700 CA GLY A 49 -9.255 -12.143 -7.369 1.00 0.00 C ATOM 701 C GLY A 49 -9.135 -11.587 -8.774 1.00 0.00 C ATOM 702 O GLY A 49 -8.901 -12.332 -9.725 1.00 0.00 O ATOM 0 H GLY A 49 -9.907 -10.751 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.292 -12.060 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.497 -13.204 -7.421 1.00 0.00 H new ATOM 706 N GLN A 50 -9.297 -10.274 -8.904 1.00 0.00 N ATOM 707 CA GLN A 50 -9.207 -9.619 -10.204 1.00 0.00 C ATOM 708 C GLN A 50 -8.601 -8.226 -10.071 1.00 0.00 C ATOM 709 O GLN A 50 -8.917 -7.471 -9.152 1.00 0.00 O ATOM 710 CB GLN A 50 -10.591 -9.528 -10.849 1.00 0.00 C ATOM 711 CG GLN A 50 -11.224 -10.882 -11.125 1.00 0.00 C ATOM 712 CD GLN A 50 -12.400 -10.793 -12.078 1.00 0.00 C ATOM 713 OE1 GLN A 50 -12.754 -9.710 -12.547 1.00 0.00 O ATOM 714 NE2 GLN A 50 -13.013 -11.934 -12.370 1.00 0.00 N ATOM 0 H GLN A 50 -9.491 -9.643 -8.126 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.556 -10.218 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.250 -8.955 -10.197 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.511 -8.976 -11.786 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.472 -11.552 -11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.556 -11.322 -10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.686 -12.808 -11.959 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.811 -11.936 -13.006 1.00 0.00 H new ATOM 723 N PRO A 51 -7.710 -7.875 -11.010 1.00 0.00 N ATOM 724 CA PRO A 51 -7.042 -6.570 -11.020 1.00 0.00 C ATOM 725 C PRO A 51 -7.998 -5.432 -11.362 1.00 0.00 C ATOM 726 O PRO A 51 -8.708 -5.487 -12.366 1.00 0.00 O ATOM 727 CB PRO A 51 -5.980 -6.724 -12.112 1.00 0.00 C ATOM 728 CG PRO A 51 -6.516 -7.780 -13.015 1.00 0.00 C ATOM 729 CD PRO A 51 -7.287 -8.725 -12.136 1.00 0.00 C ATOM 0 HA PRO A 51 -6.634 -6.313 -10.043 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.824 -5.787 -12.647 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.018 -7.015 -11.690 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.159 -7.348 -13.782 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.708 -8.299 -13.531 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.142 -9.154 -12.659 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.668 -9.557 -11.801 1.00 0.00 H new ATOM 737 N ILE A 52 -8.009 -4.403 -10.522 1.00 0.00 N ATOM 738 CA ILE A 52 -8.877 -3.252 -10.737 1.00 0.00 C ATOM 739 C ILE A 52 -8.242 -2.259 -11.705 1.00 0.00 C ATOM 740 O ILE A 52 -7.112 -1.815 -11.502 1.00 0.00 O ATOM 741 CB ILE A 52 -9.193 -2.530 -9.414 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.619 -3.540 -8.346 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.279 -1.486 -9.627 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.597 -2.980 -6.942 1.00 0.00 C ATOM 0 H ILE A 52 -7.427 -4.343 -9.687 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.805 -3.632 -11.165 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.292 -2.023 -9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.625 -3.893 -8.572 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.959 -4.406 -8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.491 -0.984 -8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.941 -0.753 -10.359 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.184 -1.972 -9.991 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.910 -3.751 -6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.587 -2.653 -6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.278 -2.132 -6.878 1.00 0.00 H new ATOM 756 N GLN A 53 -8.978 -1.914 -12.757 1.00 0.00 N ATOM 757 CA GLN A 53 -8.487 -0.972 -13.756 1.00 0.00 C ATOM 758 C GLN A 53 -8.888 0.456 -13.402 1.00 0.00 C ATOM 759 O GLN A 53 -8.108 1.392 -13.577 1.00 0.00 O ATOM 760 CB GLN A 53 -9.026 -1.337 -15.140 1.00 0.00 C ATOM 761 CG GLN A 53 -8.702 -0.308 -16.211 1.00 0.00 C ATOM 762 CD GLN A 53 -7.218 -0.224 -16.510 1.00 0.00 C ATOM 763 OE1 GLN A 53 -6.490 -1.208 -16.376 1.00 0.00 O ATOM 764 NE2 GLN A 53 -6.762 0.955 -16.916 1.00 0.00 N ATOM 0 H GLN A 53 -9.915 -2.272 -12.939 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.399 -1.031 -13.770 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.614 -2.301 -15.438 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.108 -1.457 -15.079 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.239 -0.560 -17.125 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.060 0.670 -15.890 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.402 1.743 -17.013 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.772 1.072 -17.131 1.00 0.00 H new ATOM 773 N TYR A 54 -10.109 0.616 -12.904 1.00 0.00 N ATOM 774 CA TYR A 54 -10.615 1.930 -12.527 1.00 0.00 C ATOM 775 C TYR A 54 -10.178 2.298 -11.113 1.00 0.00 C ATOM 776 O TYR A 54 -10.737 3.202 -10.493 1.00 0.00 O ATOM 777 CB TYR A 54 -12.142 1.959 -12.625 1.00 0.00 C ATOM 778 CG TYR A 54 -12.804 0.693 -12.132 1.00 0.00 C ATOM 779 CD1 TYR A 54 -12.852 0.393 -10.776 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.381 -0.204 -13.022 1.00 0.00 C ATOM 781 CE1 TYR A 54 -13.456 -0.763 -10.321 1.00 0.00 C ATOM 782 CE2 TYR A 54 -13.988 -1.362 -12.576 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.023 -1.637 -11.224 1.00 0.00 C ATOM 784 OH TYR A 54 -14.626 -2.790 -10.776 1.00 0.00 O ATOM 0 H TYR A 54 -10.767 -0.149 -12.752 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.199 2.663 -13.218 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.519 2.804 -12.049 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.428 2.128 -13.663 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.409 1.075 -10.066 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.355 0.008 -14.081 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.484 -0.981 -9.264 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.433 -2.048 -13.281 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.976 -3.294 -11.540 1.00 0.00 H new ATOM 794 N ALA A 55 -9.173 1.590 -10.609 1.00 0.00 N ATOM 795 CA ALA A 55 -8.657 1.842 -9.269 1.00 0.00 C ATOM 796 C ALA A 55 -7.880 3.154 -9.218 1.00 0.00 C ATOM 797 O ALA A 55 -6.714 3.211 -9.608 1.00 0.00 O ATOM 798 CB ALA A 55 -7.776 0.687 -8.816 1.00 0.00 C ATOM 0 H ALA A 55 -8.700 0.837 -11.108 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.505 1.925 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.398 0.889 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.360 -0.233 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.938 0.577 -9.504 1.00 0.00 H new ATOM 804 N ARG A 56 -8.534 4.205 -8.734 1.00 0.00 N ATOM 805 CA ARG A 56 -7.905 5.516 -8.634 1.00 0.00 C ATOM 806 C ARG A 56 -6.997 5.591 -7.410 1.00 0.00 C ATOM 807 O ARG A 56 -6.504 6.662 -7.055 1.00 0.00 O ATOM 808 CB ARG A 56 -8.970 6.612 -8.560 1.00 0.00 C ATOM 809 CG ARG A 56 -9.905 6.634 -9.758 1.00 0.00 C ATOM 810 CD ARG A 56 -9.381 7.547 -10.856 1.00 0.00 C ATOM 811 NE ARG A 56 -10.331 7.679 -11.957 1.00 0.00 N ATOM 812 CZ ARG A 56 -10.595 6.705 -12.822 1.00 0.00 C ATOM 813 NH1 ARG A 56 -9.983 5.534 -12.712 1.00 0.00 N ATOM 814 NH2 ARG A 56 -11.472 6.902 -13.798 1.00 0.00 N ATOM 0 H ARG A 56 -9.499 4.174 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.297 5.669 -9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.559 6.474 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.477 7.581 -8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.022 5.623 -10.149 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.893 6.971 -9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.170 8.532 -10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.438 7.153 -11.236 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.819 8.568 -12.068 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.308 5.380 -11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.187 4.788 -13.377 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.944 7.802 -13.885 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.674 6.154 -14.461 1.00 0.00 H new ATOM 828 N SER A 57 -6.781 4.447 -6.768 1.00 0.00 N ATOM 829 CA SER A 57 -5.936 4.384 -5.582 1.00 0.00 C ATOM 830 C SER A 57 -4.781 5.375 -5.684 1.00 0.00 C ATOM 831 O SER A 57 -4.232 5.598 -6.764 1.00 0.00 O ATOM 832 CB SER A 57 -5.392 2.967 -5.392 1.00 0.00 C ATOM 833 OG SER A 57 -4.640 2.554 -6.519 1.00 0.00 O ATOM 0 H SER A 57 -7.180 3.551 -7.050 1.00 0.00 H new ATOM 0 HA SER A 57 -6.545 4.651 -4.718 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.766 2.931 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.219 2.276 -5.229 1.00 0.00 H new ATOM 0 HG SER A 57 -4.302 1.646 -6.372 1.00 0.00 H new ATOM 839 N THR A 58 -4.415 5.968 -4.552 1.00 0.00 N ATOM 840 CA THR A 58 -3.326 6.935 -4.513 1.00 0.00 C ATOM 841 C THR A 58 -2.518 6.802 -3.227 1.00 0.00 C ATOM 842 O THR A 58 -3.043 6.995 -2.130 1.00 0.00 O ATOM 843 CB THR A 58 -3.853 8.379 -4.627 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.866 8.610 -3.641 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.419 8.640 -6.014 1.00 0.00 C ATOM 0 H THR A 58 -4.858 5.795 -3.649 1.00 0.00 H new ATOM 0 HA THR A 58 -2.683 6.721 -5.367 1.00 0.00 H new ATOM 0 HB THR A 58 -3.020 9.061 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.627 8.146 -2.812 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.785 9.665 -6.071 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.638 8.492 -6.760 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.241 7.950 -6.207 1.00 0.00 H new ATOM 853 N CYS A 59 -1.239 6.472 -3.370 1.00 0.00 N ATOM 854 CA CYS A 59 -0.358 6.312 -2.218 1.00 0.00 C ATOM 855 C CYS A 59 0.373 7.615 -1.908 1.00 0.00 C ATOM 856 O CYS A 59 0.855 8.297 -2.812 1.00 0.00 O ATOM 857 CB CYS A 59 0.654 5.195 -2.476 1.00 0.00 C ATOM 858 SG CYS A 59 1.813 5.543 -3.819 1.00 0.00 S ATOM 0 H CYS A 59 -0.789 6.310 -4.271 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.971 6.046 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.219 5.013 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.114 4.276 -2.706 1.00 0.00 H new ATOM 0 HG CYS A 59 1.931 6.829 -3.968 1.00 0.00 H new ATOM 864 N GLU A 60 0.449 7.954 -0.625 1.00 0.00 N ATOM 865 CA GLU A 60 1.118 9.176 -0.197 1.00 0.00 C ATOM 866 C GLU A 60 2.165 8.877 0.872 1.00 0.00 C ATOM 867 O GLU A 60 1.846 8.777 2.057 1.00 0.00 O ATOM 868 CB GLU A 60 0.097 10.182 0.340 1.00 0.00 C ATOM 869 CG GLU A 60 -0.442 11.126 -0.721 1.00 0.00 C ATOM 870 CD GLU A 60 -1.601 11.966 -0.219 1.00 0.00 C ATOM 871 OE1 GLU A 60 -2.759 11.517 -0.346 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.349 13.074 0.300 1.00 0.00 O ATOM 0 H GLU A 60 0.056 7.400 0.135 1.00 0.00 H new ATOM 0 HA GLU A 60 1.621 9.607 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.735 9.639 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.560 10.768 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.359 11.783 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.765 10.548 -1.587 1.00 0.00 H new ATOM 879 N ALA A 61 3.415 8.736 0.445 1.00 0.00 N ATOM 880 CA ALA A 61 4.509 8.450 1.365 1.00 0.00 C ATOM 881 C ALA A 61 4.391 7.042 1.938 1.00 0.00 C ATOM 882 O ALA A 61 4.821 6.780 3.060 1.00 0.00 O ATOM 883 CB ALA A 61 4.538 9.478 2.486 1.00 0.00 C ATOM 0 H ALA A 61 3.696 8.815 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 61 5.444 8.510 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.360 9.252 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.679 10.473 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.596 9.446 3.033 1.00 0.00 H new ATOM 889 N GLY A 62 3.802 6.138 1.160 1.00 0.00 N ATOM 890 CA GLY A 62 3.637 4.768 1.609 1.00 0.00 C ATOM 891 C GLY A 62 2.204 4.452 1.989 1.00 0.00 C ATOM 892 O GLY A 62 1.752 3.316 1.844 1.00 0.00 O ATOM 0 H GLY A 62 3.437 6.330 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.959 4.089 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.285 4.589 2.467 1.00 0.00 H new ATOM 896 N VAL A 63 1.488 5.458 2.480 1.00 0.00 N ATOM 897 CA VAL A 63 0.098 5.282 2.884 1.00 0.00 C ATOM 898 C VAL A 63 -0.797 5.028 1.676 1.00 0.00 C ATOM 899 O VAL A 63 -1.330 5.962 1.078 1.00 0.00 O ATOM 900 CB VAL A 63 -0.425 6.513 3.647 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.892 6.334 4.008 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.412 6.763 4.892 1.00 0.00 C ATOM 0 H VAL A 63 1.848 6.404 2.608 1.00 0.00 H new ATOM 0 HA VAL A 63 0.067 4.415 3.544 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.339 7.385 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.244 7.214 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.478 6.207 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.007 5.452 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.028 7.637 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.360 5.893 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.448 6.939 4.604 1.00 0.00 H new ATOM 912 N ALA A 64 -0.958 3.757 1.322 1.00 0.00 N ATOM 913 CA ALA A 64 -1.791 3.379 0.187 1.00 0.00 C ATOM 914 C ALA A 64 -3.270 3.569 0.505 1.00 0.00 C ATOM 915 O ALA A 64 -3.711 3.315 1.625 1.00 0.00 O ATOM 916 CB ALA A 64 -1.516 1.938 -0.213 1.00 0.00 C ATOM 0 H ALA A 64 -0.522 2.971 1.805 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.539 4.031 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.145 1.670 -1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.467 1.831 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.738 1.279 0.626 1.00 0.00 H new ATOM 922 N GLU A 65 -4.032 4.017 -0.489 1.00 0.00 N ATOM 923 CA GLU A 65 -5.462 4.242 -0.313 1.00 0.00 C ATOM 924 C GLU A 65 -6.217 3.986 -1.614 1.00 0.00 C ATOM 925 O GLU A 65 -5.700 4.235 -2.705 1.00 0.00 O ATOM 926 CB GLU A 65 -5.721 5.671 0.167 1.00 0.00 C ATOM 927 CG GLU A 65 -4.968 6.033 1.436 1.00 0.00 C ATOM 928 CD GLU A 65 -5.611 7.182 2.188 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.852 7.176 2.331 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.875 8.086 2.634 1.00 0.00 O ATOM 0 H GLU A 65 -3.683 4.231 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.824 3.542 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.440 6.367 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.790 5.799 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.919 5.160 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.942 6.299 1.182 1.00 0.00 H new ATOM 937 N LEU A 66 -7.441 3.486 -1.492 1.00 0.00 N ATOM 938 CA LEU A 66 -8.269 3.194 -2.658 1.00 0.00 C ATOM 939 C LEU A 66 -9.626 3.880 -2.547 1.00 0.00 C ATOM 940 O LEU A 66 -10.521 3.400 -1.851 1.00 0.00 O ATOM 941 CB LEU A 66 -8.458 1.684 -2.809 1.00 0.00 C ATOM 942 CG LEU A 66 -9.374 1.233 -3.947 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.625 1.238 -5.270 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.942 -0.149 -3.659 1.00 0.00 C ATOM 0 H LEU A 66 -7.883 3.274 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.759 3.579 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.479 1.228 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.855 1.292 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.203 1.937 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.293 0.914 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.268 2.246 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.776 0.558 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.592 -0.454 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.126 -0.864 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.516 -0.121 -2.733 1.00 0.00 H new ATOM 956 N HIS A 67 -9.774 5.005 -3.239 1.00 0.00 N ATOM 957 CA HIS A 67 -11.024 5.756 -3.221 1.00 0.00 C ATOM 958 C HIS A 67 -12.065 5.101 -4.124 1.00 0.00 C ATOM 959 O HIS A 67 -11.859 4.973 -5.332 1.00 0.00 O ATOM 960 CB HIS A 67 -10.784 7.200 -3.664 1.00 0.00 C ATOM 961 CG HIS A 67 -9.811 7.938 -2.797 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.158 9.041 -2.046 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.495 7.724 -2.562 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.098 9.475 -1.389 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.075 8.693 -1.684 1.00 0.00 N ATOM 0 H HIS A 67 -9.043 5.417 -3.819 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.403 5.756 -2.199 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.417 7.200 -4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.734 7.734 -3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.888 6.938 -2.986 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.072 10.325 -0.723 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.128 8.793 -1.319 1.00 0.00 H new ATOM 974 N ILE A 68 -13.180 4.688 -3.532 1.00 0.00 N ATOM 975 CA ILE A 68 -14.252 4.047 -4.283 1.00 0.00 C ATOM 976 C ILE A 68 -15.577 4.772 -4.078 1.00 0.00 C ATOM 977 O ILE A 68 -16.270 4.549 -3.085 1.00 0.00 O ATOM 978 CB ILE A 68 -14.418 2.571 -3.878 1.00 0.00 C ATOM 979 CG1 ILE A 68 -13.106 1.811 -4.085 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.542 1.926 -4.676 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.646 1.781 -5.525 1.00 0.00 C ATOM 0 H ILE A 68 -13.365 4.786 -2.534 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.973 4.097 -5.336 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.678 2.527 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.329 2.270 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.228 0.788 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.647 0.883 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.475 2.454 -4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.310 1.978 -5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.711 1.226 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.404 1.295 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.491 2.800 -5.879 1.00 0.00 H new ATOM 993 N GLN A 69 -15.924 5.639 -5.023 1.00 0.00 N ATOM 994 CA GLN A 69 -17.168 6.396 -4.946 1.00 0.00 C ATOM 995 C GLN A 69 -18.347 5.557 -5.427 1.00 0.00 C ATOM 996 O GLN A 69 -18.186 4.659 -6.254 1.00 0.00 O ATOM 997 CB GLN A 69 -17.064 7.676 -5.778 1.00 0.00 C ATOM 998 CG GLN A 69 -17.002 7.424 -7.276 1.00 0.00 C ATOM 999 CD GLN A 69 -17.608 8.554 -8.083 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -18.759 8.477 -8.515 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -16.836 9.614 -8.291 1.00 0.00 N ATOM 0 H GLN A 69 -15.362 5.835 -5.851 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.337 6.662 -3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.922 8.312 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.174 8.226 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.963 7.286 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.526 6.496 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.888 9.636 -7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.191 10.406 -8.827 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.531 5.855 -4.905 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.738 5.128 -5.282 1.00 0.00 C ATOM 1012 C ASP A 70 -20.607 3.646 -4.946 1.00 0.00 C ATOM 1013 O ASP A 70 -20.886 2.784 -5.778 1.00 0.00 O ATOM 1014 CB ASP A 70 -21.019 5.302 -6.775 1.00 0.00 C ATOM 1015 CG ASP A 70 -22.493 5.178 -7.106 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -23.325 5.608 -6.279 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.815 4.652 -8.191 1.00 0.00 O ATOM 0 H ASP A 70 -19.681 6.595 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.572 5.539 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.658 6.279 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -20.460 4.554 -7.336 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.179 3.357 -3.721 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.012 1.980 -3.275 1.00 0.00 C ATOM 1024 C ALA A 71 -21.245 1.143 -3.602 1.00 0.00 C ATOM 1025 O ALA A 71 -22.268 1.235 -2.922 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.725 1.940 -1.781 1.00 0.00 C ATOM 0 H ALA A 71 -19.942 4.059 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.163 1.552 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.603 0.905 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.811 2.495 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.556 2.391 -1.239 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.141 0.328 -4.645 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.248 -0.525 -5.063 1.00 0.00 C ATOM 1034 C LEU A 72 -22.293 -1.804 -4.233 1.00 0.00 C ATOM 1035 O LEU A 72 -21.284 -2.258 -3.692 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.120 -0.870 -6.548 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.659 0.171 -7.528 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.104 -0.071 -8.923 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.181 0.149 -7.547 1.00 0.00 C ATOM 0 H LEU A 72 -20.301 0.240 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.177 0.022 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.067 -1.039 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -22.639 -1.812 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.334 1.157 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.499 0.680 -9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.016 -0.003 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.398 -1.063 -9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.547 0.897 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.527 -0.838 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.561 0.372 -6.550 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.489 -2.402 -4.131 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.694 -3.639 -3.372 1.00 0.00 C ATOM 1053 C PRO A 73 -23.039 -4.843 -4.039 1.00 0.00 C ATOM 1054 O PRO A 73 -22.770 -5.853 -3.389 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.216 -3.797 -3.356 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.686 -3.066 -4.566 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.734 -1.916 -4.750 1.00 0.00 C ATOM 0 HA PRO A 73 -23.247 -3.587 -2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.505 -4.847 -3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.648 -3.377 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.685 -3.717 -5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.708 -2.710 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.592 -1.676 -5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.098 -1.011 -4.264 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.786 -4.729 -5.339 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.163 -5.811 -6.093 1.00 0.00 C ATOM 1067 C GLU A 74 -20.647 -5.641 -6.136 1.00 0.00 C ATOM 1068 O GLU A 74 -19.912 -6.593 -6.401 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.722 -5.859 -7.516 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.521 -4.569 -8.293 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.616 -4.770 -9.793 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -21.840 -5.586 -10.332 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -23.466 -4.111 -10.427 1.00 0.00 O ATOM 0 H GLU A 74 -23.002 -3.899 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.392 -6.750 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.246 -6.677 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.788 -6.084 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.269 -3.840 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.545 -4.150 -8.048 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.187 -4.423 -5.874 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.759 -4.127 -5.883 1.00 0.00 C ATOM 1082 C ASP A 75 -18.046 -4.858 -4.749 1.00 0.00 C ATOM 1083 O ASP A 75 -16.936 -5.362 -4.923 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.528 -2.620 -5.759 1.00 0.00 C ATOM 1085 CG ASP A 75 -17.106 -2.284 -5.354 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.755 -2.507 -4.176 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.344 -1.797 -6.215 1.00 0.00 O ATOM 0 H ASP A 75 -20.782 -3.625 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.347 -4.473 -6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.754 -2.141 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -19.219 -2.209 -5.023 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.690 -4.911 -3.588 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.118 -5.580 -2.425 1.00 0.00 C ATOM 1094 C HIS A 76 -17.408 -6.867 -2.834 1.00 0.00 C ATOM 1095 O HIS A 76 -17.812 -7.535 -3.785 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.208 -5.888 -1.399 1.00 0.00 C ATOM 1097 CG HIS A 76 -19.852 -7.227 -1.594 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.187 -7.728 -2.834 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.221 -8.171 -0.696 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.735 -8.921 -2.691 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -20.767 -9.214 -1.403 1.00 0.00 N ATOM 0 H HIS A 76 -19.609 -4.498 -3.427 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.386 -4.910 -1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -18.777 -5.843 -0.399 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.974 -5.114 -1.451 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -20.035 -7.252 -3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.107 -8.114 0.376 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.096 -9.550 -3.491 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.347 -7.209 -2.109 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.598 -8.414 -2.412 1.00 0.00 C ATOM 1112 C GLY A 77 -14.418 -8.613 -1.481 1.00 0.00 C ATOM 1113 O GLY A 77 -14.562 -8.547 -0.260 1.00 0.00 O ATOM 0 H GLY A 77 -15.993 -6.673 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.261 -9.277 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.241 -8.367 -3.441 1.00 0.00 H new ATOM 1117 N THR A 78 -13.246 -8.860 -2.059 1.00 0.00 N ATOM 1118 CA THR A 78 -12.037 -9.072 -1.273 1.00 0.00 C ATOM 1119 C THR A 78 -10.869 -8.268 -1.834 1.00 0.00 C ATOM 1120 O THR A 78 -10.230 -8.677 -2.804 1.00 0.00 O ATOM 1121 CB THR A 78 -11.648 -10.562 -1.233 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.610 -11.299 -0.471 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.265 -10.743 -0.625 1.00 0.00 C ATOM 0 H THR A 78 -13.109 -8.918 -3.068 1.00 0.00 H new ATOM 0 HA THR A 78 -12.254 -8.733 -0.260 1.00 0.00 H new ATOM 0 HB THR A 78 -11.630 -10.938 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.356 -12.245 -0.452 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.011 -11.803 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.531 -10.204 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.261 -10.352 0.392 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.595 -7.124 -1.218 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.504 -6.262 -1.657 1.00 0.00 C ATOM 1133 C TYR A 79 -8.169 -6.744 -1.097 1.00 0.00 C ATOM 1134 O TYR A 79 -7.902 -6.621 0.099 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.761 -4.818 -1.222 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.953 -4.183 -1.901 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.247 -4.454 -1.473 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.786 -3.312 -2.970 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.339 -3.878 -2.092 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.872 -2.729 -3.594 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.147 -3.015 -3.151 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.232 -2.438 -3.769 1.00 0.00 O ATOM 0 H TYR A 79 -11.113 -6.772 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.457 -6.304 -2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.913 -4.794 -0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.874 -4.221 -1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.401 -5.127 -0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.789 -3.086 -3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.338 -4.102 -1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.724 -2.053 -4.424 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.048 -2.914 -3.509 1.00 0.00 H new ATOM 1152 N THR A 80 -7.332 -7.294 -1.971 1.00 0.00 N ATOM 1153 CA THR A 80 -6.025 -7.796 -1.567 1.00 0.00 C ATOM 1154 C THR A 80 -4.906 -6.920 -2.117 1.00 0.00 C ATOM 1155 O THR A 80 -4.628 -6.932 -3.317 1.00 0.00 O ATOM 1156 CB THR A 80 -5.808 -9.245 -2.042 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.799 -10.103 -1.465 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.420 -9.737 -1.660 1.00 0.00 C ATOM 0 H THR A 80 -7.537 -7.403 -2.964 1.00 0.00 H new ATOM 0 HA THR A 80 -6.000 -7.771 -0.478 1.00 0.00 H new ATOM 0 HB THR A 80 -5.898 -9.266 -3.128 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.408 -10.595 -0.713 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.290 -10.762 -2.006 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.667 -9.099 -2.124 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.307 -9.702 -0.576 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.266 -6.162 -1.233 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.175 -5.279 -1.631 1.00 0.00 C ATOM 1168 C CYS A 81 -1.851 -6.035 -1.674 1.00 0.00 C ATOM 1169 O CYS A 81 -1.402 -6.579 -0.665 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.070 -4.097 -0.666 1.00 0.00 C ATOM 1171 SG CYS A 81 -1.669 -3.001 -0.991 1.00 0.00 S ATOM 0 H CYS A 81 -4.484 -6.141 -0.237 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.391 -4.904 -2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.991 -3.517 -0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.990 -4.479 0.352 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.629 -3.420 -0.334 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.232 -6.067 -2.849 1.00 0.00 N ATOM 1178 CA LEU A 82 0.040 -6.758 -3.025 1.00 0.00 C ATOM 1179 C LEU A 82 1.183 -5.762 -3.193 1.00 0.00 C ATOM 1180 O LEU A 82 1.173 -4.940 -4.109 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.025 -7.687 -4.239 1.00 0.00 C ATOM 1182 CG LEU A 82 1.314 -8.039 -4.887 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.244 -8.689 -3.874 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.103 -8.954 -6.084 1.00 0.00 C ATOM 0 H LEU A 82 -1.591 -5.622 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 82 0.229 -7.352 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.514 -8.613 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.660 -7.222 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 82 1.779 -7.117 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.192 -8.932 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.422 -8.000 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.786 -9.601 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.067 -9.194 -6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.615 -9.873 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.475 -8.451 -6.820 1.00 0.00 H new ATOM 1196 N ALA A 83 2.167 -5.843 -2.304 1.00 0.00 N ATOM 1197 CA ALA A 83 3.319 -4.951 -2.357 1.00 0.00 C ATOM 1198 C ALA A 83 4.621 -5.741 -2.439 1.00 0.00 C ATOM 1199 O ALA A 83 5.035 -6.374 -1.469 1.00 0.00 O ATOM 1200 CB ALA A 83 3.332 -4.033 -1.144 1.00 0.00 C ATOM 0 H ALA A 83 2.190 -6.517 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 83 3.236 -4.343 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.198 -3.373 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.420 -3.436 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.388 -4.632 -0.235 1.00 0.00 H new ATOM 1206 N GLU A 84 5.262 -5.698 -3.603 1.00 0.00 N ATOM 1207 CA GLU A 84 6.517 -6.411 -3.811 1.00 0.00 C ATOM 1208 C GLU A 84 7.570 -5.493 -4.424 1.00 0.00 C ATOM 1209 O GLU A 84 7.257 -4.636 -5.249 1.00 0.00 O ATOM 1210 CB GLU A 84 6.295 -7.626 -4.714 1.00 0.00 C ATOM 1211 CG GLU A 84 5.967 -7.263 -6.153 1.00 0.00 C ATOM 1212 CD GLU A 84 5.843 -8.480 -7.048 1.00 0.00 C ATOM 1213 OE1 GLU A 84 5.362 -9.526 -6.563 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.226 -8.387 -8.233 1.00 0.00 O ATOM 0 H GLU A 84 4.933 -5.177 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 84 6.878 -6.750 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.191 -8.247 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.483 -8.228 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.033 -6.702 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.744 -6.607 -6.544 1.00 0.00 H new ATOM 1221 N ASN A 85 8.820 -5.679 -4.013 1.00 0.00 N ATOM 1222 CA ASN A 85 9.920 -4.867 -4.520 1.00 0.00 C ATOM 1223 C ASN A 85 11.115 -5.740 -4.890 1.00 0.00 C ATOM 1224 O ASN A 85 11.046 -6.967 -4.820 1.00 0.00 O ATOM 1225 CB ASN A 85 10.337 -3.828 -3.477 1.00 0.00 C ATOM 1226 CG ASN A 85 11.051 -4.451 -2.293 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.401 -5.631 -2.316 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.271 -3.658 -1.251 1.00 0.00 N ATOM 0 H ASN A 85 9.096 -6.385 -3.330 1.00 0.00 H new ATOM 0 HA ASN A 85 9.576 -4.353 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.989 -3.090 -3.944 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.453 -3.295 -3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.748 -4.021 -0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.963 -2.686 -1.276 1.00 0.00 H new ATOM 1235 N ALA A 86 12.210 -5.099 -5.284 1.00 0.00 N ATOM 1236 CA ALA A 86 13.422 -5.816 -5.662 1.00 0.00 C ATOM 1237 C ALA A 86 13.990 -6.595 -4.481 1.00 0.00 C ATOM 1238 O ALA A 86 14.780 -7.523 -4.659 1.00 0.00 O ATOM 1239 CB ALA A 86 14.460 -4.847 -6.208 1.00 0.00 C ATOM 0 H ALA A 86 12.283 -4.084 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 86 13.163 -6.531 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.360 -5.396 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.058 -4.340 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.707 -4.110 -5.444 1.00 0.00 H new ATOM 1245 N LEU A 87 13.585 -6.211 -3.275 1.00 0.00 N ATOM 1246 CA LEU A 87 14.055 -6.874 -2.064 1.00 0.00 C ATOM 1247 C LEU A 87 13.204 -8.100 -1.748 1.00 0.00 C ATOM 1248 O LEU A 87 13.632 -9.235 -1.955 1.00 0.00 O ATOM 1249 CB LEU A 87 14.026 -5.901 -0.883 1.00 0.00 C ATOM 1250 CG LEU A 87 15.297 -5.081 -0.658 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.388 -5.946 -0.044 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.774 -4.466 -1.965 1.00 0.00 C ATOM 0 H LEU A 87 12.933 -5.444 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 87 15.081 -7.201 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.194 -5.212 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.818 -6.468 0.024 1.00 0.00 H new ATOM 0 HG LEU A 87 15.067 -4.273 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.285 -5.346 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.046 -6.338 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.616 -6.775 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.679 -3.886 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.987 -5.258 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.998 -3.813 -2.364 1.00 0.00 H new ATOM 1264 N GLY A 88 11.995 -7.862 -1.247 1.00 0.00 N ATOM 1265 CA GLY A 88 11.102 -8.956 -0.913 1.00 0.00 C ATOM 1266 C GLY A 88 9.741 -8.813 -1.565 1.00 0.00 C ATOM 1267 O GLY A 88 9.588 -8.078 -2.540 1.00 0.00 O ATOM 0 H GLY A 88 11.619 -6.931 -1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.554 -9.898 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.980 -9.004 0.169 1.00 0.00 H new ATOM 1271 N GLN A 89 8.752 -9.519 -1.027 1.00 0.00 N ATOM 1272 CA GLN A 89 7.398 -9.469 -1.565 1.00 0.00 C ATOM 1273 C GLN A 89 6.382 -9.933 -0.526 1.00 0.00 C ATOM 1274 O GLN A 89 6.556 -10.976 0.105 1.00 0.00 O ATOM 1275 CB GLN A 89 7.293 -10.336 -2.821 1.00 0.00 C ATOM 1276 CG GLN A 89 7.607 -11.803 -2.576 1.00 0.00 C ATOM 1277 CD GLN A 89 7.234 -12.684 -3.751 1.00 0.00 C ATOM 1278 OE1 GLN A 89 8.052 -13.463 -4.242 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.994 -12.566 -4.210 1.00 0.00 N ATOM 0 H GLN A 89 8.863 -10.132 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 89 7.176 -8.434 -1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.285 -10.252 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.975 -9.949 -3.578 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.671 -11.913 -2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.072 -12.142 -1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.349 -11.908 -3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.686 -13.134 -5.000 1.00 0.00 H new ATOM 1288 N VAL A 90 5.321 -9.151 -0.352 1.00 0.00 N ATOM 1289 CA VAL A 90 4.277 -9.482 0.610 1.00 0.00 C ATOM 1290 C VAL A 90 2.901 -9.091 0.083 1.00 0.00 C ATOM 1291 O VAL A 90 2.782 -8.255 -0.813 1.00 0.00 O ATOM 1292 CB VAL A 90 4.515 -8.781 1.960 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.890 -9.132 2.509 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.360 -7.275 1.813 1.00 0.00 C ATOM 0 H VAL A 90 5.162 -8.284 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 90 4.314 -10.561 0.758 1.00 0.00 H new ATOM 0 HB VAL A 90 3.766 -9.133 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.040 -8.627 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.960 -10.210 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.656 -8.810 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.532 -6.796 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.085 -6.904 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.352 -7.045 1.468 1.00 0.00 H new ATOM 1304 N SER A 91 1.862 -9.701 0.645 1.00 0.00 N ATOM 1305 CA SER A 91 0.493 -9.420 0.230 1.00 0.00 C ATOM 1306 C SER A 91 -0.476 -9.605 1.393 1.00 0.00 C ATOM 1307 O SER A 91 -0.221 -10.387 2.310 1.00 0.00 O ATOM 1308 CB SER A 91 0.093 -10.331 -0.932 1.00 0.00 C ATOM 1309 OG SER A 91 -0.231 -11.631 -0.473 1.00 0.00 O ATOM 0 H SER A 91 1.943 -10.394 1.390 1.00 0.00 H new ATOM 0 HA SER A 91 0.445 -8.382 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.762 -9.903 -1.456 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.910 -10.389 -1.651 1.00 0.00 H new ATOM 0 HG SER A 91 -0.485 -12.193 -1.235 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.588 -8.880 1.349 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.597 -8.963 2.400 1.00 0.00 C ATOM 1317 C CYS A 92 -4.002 -8.932 1.807 1.00 0.00 C ATOM 1318 O CYS A 92 -4.200 -8.494 0.674 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.424 -7.813 3.393 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.573 -6.170 2.654 1.00 0.00 S ATOM 0 H CYS A 92 -1.814 -8.228 0.598 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.464 -9.909 2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.169 -7.914 4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.446 -7.900 3.866 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.402 -5.761 2.265 1.00 0.00 H new ATOM 1326 N SER A 93 -4.975 -9.401 2.582 1.00 0.00 N ATOM 1327 CA SER A 93 -6.362 -9.433 2.132 1.00 0.00 C ATOM 1328 C SER A 93 -7.280 -8.766 3.152 1.00 0.00 C ATOM 1329 O SER A 93 -6.949 -8.675 4.334 1.00 0.00 O ATOM 1330 CB SER A 93 -6.810 -10.876 1.893 1.00 0.00 C ATOM 1331 OG SER A 93 -5.949 -11.533 0.980 1.00 0.00 O ATOM 0 H SER A 93 -4.829 -9.764 3.524 1.00 0.00 H new ATOM 0 HA SER A 93 -6.426 -8.880 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.823 -11.417 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.829 -10.884 1.507 1.00 0.00 H new ATOM 0 HG SER A 93 -6.256 -12.454 0.846 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.434 -8.300 2.685 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.400 -7.643 3.556 1.00 0.00 C ATOM 1339 C ALA A 94 -10.826 -8.052 3.201 1.00 0.00 C ATOM 1340 O ALA A 94 -11.067 -8.648 2.151 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.246 -6.132 3.471 1.00 0.00 C ATOM 0 H ALA A 94 -8.722 -8.365 1.709 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.203 -7.960 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.974 -5.655 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.239 -5.851 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.414 -5.806 2.444 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.766 -7.729 4.082 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.168 -8.065 3.861 1.00 0.00 C ATOM 1349 C TRP A 95 -14.048 -6.825 3.973 1.00 0.00 C ATOM 1350 O TRP A 95 -14.240 -6.285 5.063 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.625 -9.123 4.866 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.047 -9.555 4.669 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.161 -8.982 5.213 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.506 -10.652 3.872 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.285 -9.657 4.803 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.910 -10.685 3.979 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.868 -11.609 3.078 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.684 -11.638 3.322 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.638 -12.554 2.427 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.033 -12.563 2.551 1.00 0.00 C ATOM 0 H TRP A 95 -11.583 -7.235 4.956 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.265 -8.467 2.853 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.974 -9.994 4.787 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.509 -8.729 5.876 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.159 -8.124 5.869 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.243 -9.430 5.069 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.793 -11.610 2.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.760 -11.647 3.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.155 -13.299 1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.606 -13.314 2.028 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.581 -6.378 2.840 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.442 -5.202 2.813 1.00 0.00 C ATOM 1373 C VAL A 96 -16.869 -5.575 2.426 1.00 0.00 C ATOM 1374 O VAL A 96 -17.094 -6.277 1.439 1.00 0.00 O ATOM 1375 CB VAL A 96 -14.915 -4.143 1.826 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.884 -2.975 1.728 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.533 -3.666 2.246 1.00 0.00 C ATOM 0 H VAL A 96 -14.432 -6.813 1.929 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.438 -4.784 3.820 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.833 -4.599 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.495 -2.237 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.852 -3.334 1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.001 -2.516 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.175 -2.918 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.587 -3.226 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.845 -4.511 2.259 1.00 0.00 H new ATOM 1387 N THR A 97 -17.832 -5.100 3.210 1.00 0.00 N ATOM 1388 CA THR A 97 -19.238 -5.384 2.951 1.00 0.00 C ATOM 1389 C THR A 97 -20.040 -4.096 2.799 1.00 0.00 C ATOM 1390 O THR A 97 -19.835 -3.134 3.539 1.00 0.00 O ATOM 1391 CB THR A 97 -19.858 -6.230 4.079 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.066 -7.402 4.303 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.283 -6.634 3.732 1.00 0.00 C ATOM 0 H THR A 97 -17.664 -4.517 4.030 1.00 0.00 H new ATOM 0 HA THR A 97 -19.280 -5.948 2.019 1.00 0.00 H new ATOM 0 HB THR A 97 -19.879 -5.627 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.005 -7.576 5.265 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.700 -7.231 4.543 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.890 -5.740 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.281 -7.221 2.814 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.955 -4.085 1.835 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.790 -2.915 1.586 1.00 0.00 C ATOM 1403 C VAL A 98 -23.242 -3.187 1.960 1.00 0.00 C ATOM 1404 O VAL A 98 -23.939 -3.941 1.280 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.723 -2.481 0.110 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.480 -1.178 -0.098 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.277 -2.345 -0.340 1.00 0.00 C ATOM 0 H VAL A 98 -21.137 -4.873 1.213 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.402 -2.110 2.211 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.198 -3.250 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.422 -0.887 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.524 -1.315 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.037 -0.397 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.249 -2.038 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.774 -1.596 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.770 -3.304 -0.230 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.694 -2.568 3.046 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.066 -2.742 3.511 1.00 0.00 C ATOM 1419 C HIS A 99 -26.045 -2.703 2.341 1.00 0.00 C ATOM 1420 O HIS A 99 -26.735 -3.684 2.063 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.424 -1.658 4.528 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.599 -1.713 5.777 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.687 -2.740 6.692 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.666 -0.860 6.259 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.844 -2.516 7.684 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.212 -1.382 7.445 1.00 0.00 N ATOM 0 H HIS A 99 -23.130 -1.941 3.621 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.140 -3.718 3.991 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.300 -0.680 4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.477 -1.754 4.793 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.306 -3.547 6.615 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.339 0.060 5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.697 -3.152 8.544 1.00 0.00 H new TER 1435 HIS A 99