USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 674 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 73 SER OG : rot 119:sc= -0.586 USER MOD Set 1.2: A 86 SER OG : rot -100:sc= 0 USER MOD Set 2.1: A 37 GLN : amide:sc= -1.94 K(o=-9.5,f=-13!) USER MOD Set 2.2: A 78 HIS : no HD1:sc= -7.6! C(o=-9.5!,f=-9.5!) USER MOD Set 3.1: A 46 LYS NZ :NH3+ 179:sc= 0.516 (180deg=0.515) USER MOD Set 3.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -52:sc= 0.504 USER MOD Single : A 3 SER OG : rot 38:sc= 0.977 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 12 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.000694 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 58:sc= 0.28 USER MOD Single : A 41 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.17) USER MOD Single : A 43 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=0) USER MOD Single : A 45 MET CE :methyl 170:sc= 0 (180deg=-0.108) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.182 F(o=-2.5!,f=-0.18) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -2.29 X(o=-2.3,f=-1.8) USER MOD Single : A 84 GLN : amide:sc= -2.92 K(o=-2.9,f=-8.9!) USER MOD Single : A 90 SER OG : rot 23:sc= 1.05 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.632 2.132 11.784 1.00 0.00 N ATOM 2 CA GLY A 1 -1.441 2.829 12.767 1.00 0.00 C ATOM 3 C GLY A 1 -1.298 4.335 12.672 1.00 0.00 C ATOM 4 O GLY A 1 -1.253 4.894 11.577 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.765 1.106 11.890 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.921 2.422 10.828 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.370 2.368 11.929 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.488 2.557 12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.155 2.502 13.767 1.00 0.00 H new ATOM 8 N SER A 2 -1.227 4.995 13.825 1.00 0.00 N ATOM 9 CA SER A 2 -1.093 6.446 13.868 1.00 0.00 C ATOM 10 C SER A 2 -2.313 7.123 13.250 1.00 0.00 C ATOM 11 O SER A 2 -2.188 8.096 12.508 1.00 0.00 O ATOM 12 CB SER A 2 0.174 6.885 13.132 1.00 0.00 C ATOM 13 OG SER A 2 0.401 8.275 13.290 1.00 0.00 O ATOM 0 H SER A 2 -1.260 4.547 14.741 1.00 0.00 H new ATOM 0 HA SER A 2 -1.021 6.748 14.913 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.030 6.328 13.512 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.084 6.646 12.072 1.00 0.00 H new ATOM 0 HG SER A 2 -0.410 8.769 13.046 1.00 0.00 H new ATOM 19 N SER A 3 -3.494 6.599 13.562 1.00 0.00 N ATOM 20 CA SER A 3 -4.738 7.148 13.036 1.00 0.00 C ATOM 21 C SER A 3 -5.610 7.695 14.162 1.00 0.00 C ATOM 22 O SER A 3 -6.273 6.939 14.872 1.00 0.00 O ATOM 23 CB SER A 3 -5.503 6.078 12.256 1.00 0.00 C ATOM 24 OG SER A 3 -5.870 4.998 13.097 1.00 0.00 O ATOM 0 H SER A 3 -3.615 5.794 14.177 1.00 0.00 H new ATOM 0 HA SER A 3 -4.488 7.968 12.363 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.396 6.517 11.812 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.886 5.711 11.436 1.00 0.00 H new ATOM 0 HG SER A 3 -6.123 5.342 13.979 1.00 0.00 H new ATOM 30 N GLY A 4 -5.604 9.015 14.319 1.00 0.00 N ATOM 31 CA GLY A 4 -6.398 9.641 15.360 1.00 0.00 C ATOM 32 C GLY A 4 -7.698 10.215 14.832 1.00 0.00 C ATOM 33 O GLY A 4 -8.716 9.525 14.786 1.00 0.00 O ATOM 0 H GLY A 4 -5.064 9.662 13.744 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.617 8.908 16.136 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.817 10.436 15.827 1.00 0.00 H new ATOM 37 N SER A 5 -7.665 11.483 14.435 1.00 0.00 N ATOM 38 CA SER A 5 -8.851 12.152 13.913 1.00 0.00 C ATOM 39 C SER A 5 -8.997 11.907 12.414 1.00 0.00 C ATOM 40 O SER A 5 -8.023 11.977 11.665 1.00 0.00 O ATOM 41 CB SER A 5 -8.780 13.654 14.191 1.00 0.00 C ATOM 42 OG SER A 5 -7.810 14.280 13.368 1.00 0.00 O ATOM 0 H SER A 5 -6.830 12.068 14.465 1.00 0.00 H new ATOM 0 HA SER A 5 -9.723 11.738 14.418 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.756 14.106 14.016 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.535 13.822 15.240 1.00 0.00 H new ATOM 0 HG SER A 5 -7.785 15.240 13.564 1.00 0.00 H new ATOM 48 N SER A 6 -10.221 11.620 11.984 1.00 0.00 N ATOM 49 CA SER A 6 -10.496 11.361 10.575 1.00 0.00 C ATOM 50 C SER A 6 -10.422 12.650 9.762 1.00 0.00 C ATOM 51 O SER A 6 -9.642 12.757 8.817 1.00 0.00 O ATOM 52 CB SER A 6 -11.875 10.720 10.412 1.00 0.00 C ATOM 53 OG SER A 6 -12.044 10.198 9.106 1.00 0.00 O ATOM 0 H SER A 6 -11.039 11.561 12.591 1.00 0.00 H new ATOM 0 HA SER A 6 -9.737 10.673 10.202 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.997 9.922 11.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.649 11.460 10.614 1.00 0.00 H new ATOM 0 HG SER A 6 -12.933 9.792 9.028 1.00 0.00 H new ATOM 59 N GLY A 7 -11.242 13.627 10.137 1.00 0.00 N ATOM 60 CA GLY A 7 -11.255 14.896 9.432 1.00 0.00 C ATOM 61 C GLY A 7 -11.407 14.725 7.934 1.00 0.00 C ATOM 62 O GLY A 7 -12.482 14.369 7.448 1.00 0.00 O ATOM 0 H GLY A 7 -11.897 13.563 10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.073 15.509 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.330 15.434 9.641 1.00 0.00 H new ATOM 66 N LEU A 8 -10.331 14.981 7.199 1.00 0.00 N ATOM 67 CA LEU A 8 -10.349 14.855 5.745 1.00 0.00 C ATOM 68 C LEU A 8 -9.248 13.914 5.266 1.00 0.00 C ATOM 69 O LEU A 8 -8.193 13.810 5.891 1.00 0.00 O ATOM 70 CB LEU A 8 -10.182 16.229 5.093 1.00 0.00 C ATOM 71 CG LEU A 8 -11.409 17.140 5.124 1.00 0.00 C ATOM 72 CD1 LEU A 8 -11.510 17.855 6.462 1.00 0.00 C ATOM 73 CD2 LEU A 8 -11.356 18.146 3.983 1.00 0.00 C ATOM 0 H LEU A 8 -9.435 15.277 7.585 1.00 0.00 H new ATOM 0 HA LEU A 8 -11.312 14.435 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.358 16.745 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.889 16.082 4.053 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.298 16.523 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.390 18.499 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.596 17.120 7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.617 18.460 6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.237 18.786 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.459 18.758 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.334 17.616 3.031 1.00 0.00 H new ATOM 85 N GLU A 9 -9.501 13.234 4.152 1.00 0.00 N ATOM 86 CA GLU A 9 -8.530 12.304 3.589 1.00 0.00 C ATOM 87 C GLU A 9 -8.575 12.327 2.064 1.00 0.00 C ATOM 88 O GLU A 9 -9.603 12.023 1.459 1.00 0.00 O ATOM 89 CB GLU A 9 -8.796 10.885 4.097 1.00 0.00 C ATOM 90 CG GLU A 9 -10.169 10.352 3.723 1.00 0.00 C ATOM 91 CD GLU A 9 -10.456 8.995 4.336 1.00 0.00 C ATOM 92 OE1 GLU A 9 -9.952 8.729 5.447 1.00 0.00 O ATOM 93 OE2 GLU A 9 -11.183 8.200 3.705 1.00 0.00 O ATOM 0 H GLU A 9 -10.369 13.310 3.622 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.537 12.617 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.034 10.216 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.693 10.871 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.930 11.061 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.243 10.279 2.638 1.00 0.00 H new ATOM 100 N GLU A 10 -7.454 12.690 1.450 1.00 0.00 N ATOM 101 CA GLU A 10 -7.366 12.755 -0.004 1.00 0.00 C ATOM 102 C GLU A 10 -6.698 11.502 -0.565 1.00 0.00 C ATOM 103 O GLU A 10 -7.315 10.734 -1.303 1.00 0.00 O ATOM 104 CB GLU A 10 -6.587 13.998 -0.436 1.00 0.00 C ATOM 105 CG GLU A 10 -7.173 15.297 0.091 1.00 0.00 C ATOM 106 CD GLU A 10 -8.380 15.757 -0.702 1.00 0.00 C ATOM 107 OE1 GLU A 10 -8.386 15.566 -1.936 1.00 0.00 O ATOM 108 OE2 GLU A 10 -9.319 16.307 -0.089 1.00 0.00 O ATOM 0 H GLU A 10 -6.594 12.944 1.936 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.379 12.815 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.556 13.908 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.558 14.038 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.458 15.166 1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.408 16.073 0.064 1.00 0.00 H new ATOM 115 N VAL A 11 -5.433 11.304 -0.209 1.00 0.00 N ATOM 116 CA VAL A 11 -4.681 10.145 -0.675 1.00 0.00 C ATOM 117 C VAL A 11 -5.564 8.904 -0.737 1.00 0.00 C ATOM 118 O VAL A 11 -6.355 8.648 0.170 1.00 0.00 O ATOM 119 CB VAL A 11 -3.472 9.857 0.235 1.00 0.00 C ATOM 120 CG1 VAL A 11 -2.760 8.588 -0.208 1.00 0.00 C ATOM 121 CG2 VAL A 11 -2.517 11.040 0.243 1.00 0.00 C ATOM 0 H VAL A 11 -4.907 11.931 0.400 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.324 10.383 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.833 9.705 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.909 8.401 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.450 7.746 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.410 8.706 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.669 10.819 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.161 11.227 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.036 11.924 0.614 1.00 0.00 H new ATOM 131 N GLN A 12 -5.424 8.137 -1.814 1.00 0.00 N ATOM 132 CA GLN A 12 -6.210 6.923 -1.994 1.00 0.00 C ATOM 133 C GLN A 12 -5.313 5.740 -2.345 1.00 0.00 C ATOM 134 O GLN A 12 -4.553 5.790 -3.313 1.00 0.00 O ATOM 135 CB GLN A 12 -7.258 7.126 -3.089 1.00 0.00 C ATOM 136 CG GLN A 12 -6.663 7.491 -4.440 1.00 0.00 C ATOM 137 CD GLN A 12 -7.721 7.708 -5.503 1.00 0.00 C ATOM 138 OE1 GLN A 12 -8.840 7.206 -5.394 1.00 0.00 O ATOM 139 NE2 GLN A 12 -7.372 8.461 -6.541 1.00 0.00 N ATOM 0 H GLN A 12 -4.774 8.335 -2.574 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.716 6.705 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.844 6.213 -3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.947 7.912 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.066 8.397 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.987 6.698 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.433 8.857 -6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.043 8.643 -7.288 1.00 0.00 H new ATOM 148 N LEU A 13 -5.405 4.678 -1.553 1.00 0.00 N ATOM 149 CA LEU A 13 -4.601 3.482 -1.779 1.00 0.00 C ATOM 150 C LEU A 13 -5.454 2.352 -2.347 1.00 0.00 C ATOM 151 O LEU A 13 -6.602 2.164 -1.943 1.00 0.00 O ATOM 152 CB LEU A 13 -3.941 3.032 -0.475 1.00 0.00 C ATOM 153 CG LEU A 13 -3.389 1.607 -0.459 1.00 0.00 C ATOM 154 CD1 LEU A 13 -1.949 1.586 -0.948 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.488 1.012 0.939 1.00 0.00 C ATOM 0 H LEU A 13 -6.029 4.620 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.826 3.728 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.125 3.719 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.670 3.127 0.329 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.989 0.998 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.573 0.563 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.905 1.970 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.335 2.210 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.090 -0.003 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.913 1.622 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.532 0.990 1.252 1.00 0.00 H new ATOM 167 N VAL A 14 -4.885 1.602 -3.285 1.00 0.00 N ATOM 168 CA VAL A 14 -5.592 0.488 -3.906 1.00 0.00 C ATOM 169 C VAL A 14 -4.771 -0.795 -3.829 1.00 0.00 C ATOM 170 O VAL A 14 -3.890 -1.032 -4.654 1.00 0.00 O ATOM 171 CB VAL A 14 -5.922 0.785 -5.381 1.00 0.00 C ATOM 172 CG1 VAL A 14 -6.605 -0.411 -6.026 1.00 0.00 C ATOM 173 CG2 VAL A 14 -6.790 2.029 -5.491 1.00 0.00 C ATOM 0 H VAL A 14 -3.937 1.745 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.522 0.355 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.990 0.972 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.831 -0.183 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.944 -1.276 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.530 -0.632 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.014 2.225 -6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.720 1.873 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.259 2.882 -5.068 1.00 0.00 H new ATOM 183 N VAL A 15 -5.068 -1.622 -2.831 1.00 0.00 N ATOM 184 CA VAL A 15 -4.360 -2.882 -2.646 1.00 0.00 C ATOM 185 C VAL A 15 -4.901 -3.959 -3.579 1.00 0.00 C ATOM 186 O VAL A 15 -6.090 -3.979 -3.895 1.00 0.00 O ATOM 187 CB VAL A 15 -4.466 -3.378 -1.191 1.00 0.00 C ATOM 188 CG1 VAL A 15 -5.911 -3.339 -0.718 1.00 0.00 C ATOM 189 CG2 VAL A 15 -3.892 -4.781 -1.064 1.00 0.00 C ATOM 0 H VAL A 15 -5.795 -1.441 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.313 -2.693 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.883 -2.713 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.967 -3.693 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.284 -2.316 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.520 -3.980 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.975 -5.116 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.446 -5.461 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.843 -4.773 -1.360 1.00 0.00 H new ATOM 199 N GLU A 16 -4.020 -4.854 -4.016 1.00 0.00 N ATOM 200 CA GLU A 16 -4.411 -5.934 -4.914 1.00 0.00 C ATOM 201 C GLU A 16 -3.674 -7.224 -4.566 1.00 0.00 C ATOM 202 O GLU A 16 -2.446 -7.300 -4.613 1.00 0.00 O ATOM 203 CB GLU A 16 -4.127 -5.548 -6.367 1.00 0.00 C ATOM 204 CG GLU A 16 -5.069 -4.486 -6.910 1.00 0.00 C ATOM 205 CD GLU A 16 -6.318 -5.079 -7.533 1.00 0.00 C ATOM 206 OE1 GLU A 16 -6.189 -6.021 -8.342 1.00 0.00 O ATOM 207 OE2 GLU A 16 -7.425 -4.599 -7.212 1.00 0.00 O ATOM 0 H GLU A 16 -3.032 -4.852 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.481 -6.103 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.102 -5.186 -6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.198 -6.439 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.355 -3.812 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.545 -3.887 -7.655 1.00 0.00 H new ATOM 214 N PRO A 17 -4.441 -8.265 -4.208 1.00 0.00 N ATOM 215 CA PRO A 17 -5.904 -8.187 -4.148 1.00 0.00 C ATOM 216 C PRO A 17 -6.391 -7.307 -3.002 1.00 0.00 C ATOM 217 O PRO A 17 -5.694 -7.132 -2.003 1.00 0.00 O ATOM 218 CB PRO A 17 -6.328 -9.641 -3.924 1.00 0.00 C ATOM 219 CG PRO A 17 -5.154 -10.280 -3.267 1.00 0.00 C ATOM 220 CD PRO A 17 -3.939 -9.597 -3.833 1.00 0.00 C ATOM 0 HA PRO A 17 -6.326 -7.740 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.216 -9.702 -3.295 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.571 -10.132 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.200 -10.161 -2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.129 -11.351 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.136 -9.532 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.541 -10.134 -4.694 1.00 0.00 H new ATOM 228 N GLU A 18 -7.592 -6.757 -3.153 1.00 0.00 N ATOM 229 CA GLU A 18 -8.171 -5.896 -2.129 1.00 0.00 C ATOM 230 C GLU A 18 -8.156 -6.583 -0.767 1.00 0.00 C ATOM 231 O GLU A 18 -7.706 -6.010 0.225 1.00 0.00 O ATOM 232 CB GLU A 18 -9.605 -5.513 -2.504 1.00 0.00 C ATOM 233 CG GLU A 18 -10.518 -6.709 -2.713 1.00 0.00 C ATOM 234 CD GLU A 18 -11.798 -6.345 -3.441 1.00 0.00 C ATOM 235 OE1 GLU A 18 -12.763 -5.926 -2.768 1.00 0.00 O ATOM 236 OE2 GLU A 18 -11.834 -6.479 -4.682 1.00 0.00 O ATOM 0 H GLU A 18 -8.182 -6.892 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.565 -4.992 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.021 -4.882 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.586 -4.917 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.986 -7.473 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.766 -7.146 -1.746 1.00 0.00 H new ATOM 243 N GLY A 19 -8.652 -7.816 -0.727 1.00 0.00 N ATOM 244 CA GLY A 19 -8.687 -8.562 0.517 1.00 0.00 C ATOM 245 C GLY A 19 -7.437 -8.358 1.351 1.00 0.00 C ATOM 246 O GLY A 19 -7.513 -8.214 2.570 1.00 0.00 O ATOM 0 H GLY A 19 -9.030 -8.311 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.559 -8.258 1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.804 -9.623 0.298 1.00 0.00 H new ATOM 250 N GLY A 20 -6.283 -8.348 0.691 1.00 0.00 N ATOM 251 CA GLY A 20 -5.028 -8.162 1.395 1.00 0.00 C ATOM 252 C GLY A 20 -4.383 -9.477 1.789 1.00 0.00 C ATOM 253 O GLY A 20 -3.687 -9.556 2.800 1.00 0.00 O ATOM 0 H GLY A 20 -6.195 -8.465 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.341 -7.599 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.202 -7.564 2.289 1.00 0.00 H new ATOM 257 N ALA A 21 -4.617 -10.511 0.988 1.00 0.00 N ATOM 258 CA ALA A 21 -4.054 -11.828 1.258 1.00 0.00 C ATOM 259 C ALA A 21 -3.738 -12.567 -0.038 1.00 0.00 C ATOM 260 O ALA A 21 -4.435 -12.408 -1.040 1.00 0.00 O ATOM 261 CB ALA A 21 -5.010 -12.646 2.114 1.00 0.00 C ATOM 0 H ALA A 21 -5.192 -10.462 0.147 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.121 -11.691 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.576 -13.627 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.182 -12.132 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.957 -12.765 1.589 1.00 0.00 H new ATOM 267 N VAL A 22 -2.682 -13.374 -0.012 1.00 0.00 N ATOM 268 CA VAL A 22 -2.274 -14.137 -1.186 1.00 0.00 C ATOM 269 C VAL A 22 -1.463 -15.365 -0.788 1.00 0.00 C ATOM 270 O VAL A 22 -0.782 -15.366 0.237 1.00 0.00 O ATOM 271 CB VAL A 22 -1.440 -13.276 -2.153 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.223 -12.044 -2.582 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.119 -12.881 -1.511 1.00 0.00 C ATOM 0 H VAL A 22 -2.094 -13.516 0.809 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.187 -14.455 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.223 -13.867 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.618 -11.448 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.140 -12.352 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.473 -11.448 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.457 -12.273 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.312 -12.308 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.446 -13.779 -1.260 1.00 0.00 H new ATOM 283 N ALA A 23 -1.541 -16.409 -1.606 1.00 0.00 N ATOM 284 CA ALA A 23 -0.811 -17.643 -1.341 1.00 0.00 C ATOM 285 C ALA A 23 0.666 -17.364 -1.089 1.00 0.00 C ATOM 286 O ALA A 23 1.186 -16.297 -1.415 1.00 0.00 O ATOM 287 CB ALA A 23 -0.977 -18.613 -2.501 1.00 0.00 C ATOM 0 H ALA A 23 -2.102 -16.425 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.226 -18.096 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.427 -19.530 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.034 -18.846 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.589 -18.159 -3.413 1.00 0.00 H new ATOM 293 N PRO A 24 1.362 -18.345 -0.494 1.00 0.00 N ATOM 294 CA PRO A 24 2.790 -18.228 -0.185 1.00 0.00 C ATOM 295 C PRO A 24 3.657 -18.240 -1.439 1.00 0.00 C ATOM 296 O PRO A 24 4.143 -19.290 -1.860 1.00 0.00 O ATOM 297 CB PRO A 24 3.070 -19.466 0.671 1.00 0.00 C ATOM 298 CG PRO A 24 2.029 -20.451 0.265 1.00 0.00 C ATOM 299 CD PRO A 24 0.807 -19.644 -0.078 1.00 0.00 C ATOM 0 HA PRO A 24 3.024 -17.287 0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.073 -19.853 0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.003 -19.235 1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.361 -21.039 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.819 -21.153 1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.230 -20.109 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.140 -19.541 0.778 1.00 0.00 H new ATOM 307 N GLY A 25 3.848 -17.066 -2.033 1.00 0.00 N ATOM 308 CA GLY A 25 4.657 -16.964 -3.233 1.00 0.00 C ATOM 309 C GLY A 25 3.939 -16.247 -4.358 1.00 0.00 C ATOM 310 O GLY A 25 4.241 -16.457 -5.532 1.00 0.00 O ATOM 0 H GLY A 25 3.457 -16.183 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.581 -16.435 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.937 -17.964 -3.564 1.00 0.00 H new ATOM 314 N GLY A 26 2.981 -15.396 -4.000 1.00 0.00 N ATOM 315 CA GLY A 26 2.231 -14.660 -5.000 1.00 0.00 C ATOM 316 C GLY A 26 2.813 -13.286 -5.266 1.00 0.00 C ATOM 317 O GLY A 26 3.998 -13.048 -5.031 1.00 0.00 O ATOM 0 H GLY A 26 2.712 -15.204 -3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.214 -15.230 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.197 -14.556 -4.671 1.00 0.00 H new ATOM 321 N THR A 27 1.978 -12.376 -5.759 1.00 0.00 N ATOM 322 CA THR A 27 2.417 -11.019 -6.061 1.00 0.00 C ATOM 323 C THR A 27 1.323 -10.005 -5.745 1.00 0.00 C ATOM 324 O THR A 27 0.259 -10.012 -6.365 1.00 0.00 O ATOM 325 CB THR A 27 2.824 -10.876 -7.539 1.00 0.00 C ATOM 326 OG1 THR A 27 3.683 -11.957 -7.918 1.00 0.00 O ATOM 327 CG2 THR A 27 3.531 -9.551 -7.779 1.00 0.00 C ATOM 0 H THR A 27 0.994 -12.555 -5.958 1.00 0.00 H new ATOM 0 HA THR A 27 3.285 -10.820 -5.433 1.00 0.00 H new ATOM 0 HB THR A 27 1.919 -10.902 -8.146 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.936 -11.859 -8.860 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.809 -9.472 -8.830 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.863 -8.730 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.428 -9.500 -7.162 1.00 0.00 H new ATOM 335 N VAL A 28 1.592 -9.133 -4.779 1.00 0.00 N ATOM 336 CA VAL A 28 0.631 -8.111 -4.383 1.00 0.00 C ATOM 337 C VAL A 28 1.023 -6.745 -4.933 1.00 0.00 C ATOM 338 O VAL A 28 2.191 -6.356 -4.886 1.00 0.00 O ATOM 339 CB VAL A 28 0.509 -8.019 -2.850 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.202 -6.736 -2.447 1.00 0.00 C ATOM 341 CG2 VAL A 28 -0.218 -9.237 -2.299 1.00 0.00 C ATOM 0 H VAL A 28 2.468 -9.114 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.332 -8.404 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 28 1.512 -8.000 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.279 -6.688 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.364 -5.877 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.201 -6.722 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.295 -9.155 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.217 -9.290 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.337 -10.139 -2.556 1.00 0.00 H new ATOM 351 N THR A 29 0.040 -6.018 -5.456 1.00 0.00 N ATOM 352 CA THR A 29 0.282 -4.695 -6.016 1.00 0.00 C ATOM 353 C THR A 29 -0.308 -3.605 -5.129 1.00 0.00 C ATOM 354 O THR A 29 -1.517 -3.568 -4.895 1.00 0.00 O ATOM 355 CB THR A 29 -0.313 -4.567 -7.431 1.00 0.00 C ATOM 356 OG1 THR A 29 0.098 -5.677 -8.238 1.00 0.00 O ATOM 357 CG2 THR A 29 0.126 -3.267 -8.088 1.00 0.00 C ATOM 0 H THR A 29 -0.932 -6.324 -5.503 1.00 0.00 H new ATOM 0 HA THR A 29 1.363 -4.569 -6.071 1.00 0.00 H new ATOM 0 HB THR A 29 -1.400 -4.563 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.286 -5.589 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.307 -3.199 -9.086 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.213 -2.423 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.213 -3.246 -8.162 1.00 0.00 H new ATOM 365 N LEU A 30 0.551 -2.720 -4.637 1.00 0.00 N ATOM 366 CA LEU A 30 0.114 -1.627 -3.775 1.00 0.00 C ATOM 367 C LEU A 30 0.290 -0.281 -4.470 1.00 0.00 C ATOM 368 O LEU A 30 1.383 0.286 -4.484 1.00 0.00 O ATOM 369 CB LEU A 30 0.900 -1.642 -2.462 1.00 0.00 C ATOM 370 CG LEU A 30 0.804 -2.926 -1.637 1.00 0.00 C ATOM 371 CD1 LEU A 30 2.079 -3.141 -0.836 1.00 0.00 C ATOM 372 CD2 LEU A 30 -0.406 -2.880 -0.716 1.00 0.00 C ATOM 0 H LEU A 30 1.554 -2.737 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.945 -1.768 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.950 -1.457 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.555 -0.811 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 30 0.682 -3.766 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.993 -4.059 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.927 -3.220 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.232 -2.298 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.458 -3.802 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.316 -2.031 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.313 -2.774 -1.312 1.00 0.00 H new ATOM 384 N THR A 31 -0.795 0.228 -5.046 1.00 0.00 N ATOM 385 CA THR A 31 -0.762 1.507 -5.743 1.00 0.00 C ATOM 386 C THR A 31 -1.243 2.637 -4.840 1.00 0.00 C ATOM 387 O THR A 31 -2.086 2.432 -3.966 1.00 0.00 O ATOM 388 CB THR A 31 -1.631 1.478 -7.015 1.00 0.00 C ATOM 389 OG1 THR A 31 -1.384 0.273 -7.748 1.00 0.00 O ATOM 390 CG2 THR A 31 -1.341 2.683 -7.896 1.00 0.00 C ATOM 0 H THR A 31 -1.708 -0.227 -5.043 1.00 0.00 H new ATOM 0 HA THR A 31 0.276 1.686 -6.025 1.00 0.00 H new ATOM 0 HB THR A 31 -2.678 1.512 -6.715 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.941 0.261 -8.554 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.966 2.641 -8.788 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.558 3.598 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.291 2.676 -8.188 1.00 0.00 H new ATOM 398 N CYS A 32 -0.702 3.832 -5.055 1.00 0.00 N ATOM 399 CA CYS A 32 -1.075 4.996 -4.261 1.00 0.00 C ATOM 400 C CYS A 32 -1.091 6.257 -5.119 1.00 0.00 C ATOM 401 O CYS A 32 -0.041 6.765 -5.512 1.00 0.00 O ATOM 402 CB CYS A 32 -0.105 5.173 -3.091 1.00 0.00 C ATOM 403 SG CYS A 32 -0.511 6.570 -1.994 1.00 0.00 S ATOM 0 H CYS A 32 -0.003 4.019 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.079 4.832 -3.870 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.090 4.255 -2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.901 5.315 -3.485 1.00 0.00 H new ATOM 408 N GLU A 33 -2.289 6.757 -5.405 1.00 0.00 N ATOM 409 CA GLU A 33 -2.441 7.959 -6.216 1.00 0.00 C ATOM 410 C GLU A 33 -3.105 9.076 -5.416 1.00 0.00 C ATOM 411 O GLU A 33 -3.594 8.855 -4.308 1.00 0.00 O ATOM 412 CB GLU A 33 -3.267 7.654 -7.468 1.00 0.00 C ATOM 413 CG GLU A 33 -2.693 6.533 -8.318 1.00 0.00 C ATOM 414 CD GLU A 33 -3.218 5.168 -7.914 1.00 0.00 C ATOM 415 OE1 GLU A 33 -3.000 4.770 -6.751 1.00 0.00 O ATOM 416 OE2 GLU A 33 -3.845 4.499 -8.761 1.00 0.00 O ATOM 0 H GLU A 33 -3.168 6.348 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.447 8.292 -6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.281 7.389 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.340 8.557 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.934 6.716 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.606 6.539 -8.236 1.00 0.00 H new ATOM 423 N VAL A 34 -3.117 10.277 -5.985 1.00 0.00 N ATOM 424 CA VAL A 34 -3.720 11.429 -5.326 1.00 0.00 C ATOM 425 C VAL A 34 -4.552 12.250 -6.305 1.00 0.00 C ATOM 426 O VAL A 34 -4.168 12.466 -7.455 1.00 0.00 O ATOM 427 CB VAL A 34 -2.650 12.337 -4.692 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.288 13.588 -4.107 1.00 0.00 C ATOM 429 CG2 VAL A 34 -1.870 11.579 -3.629 1.00 0.00 C ATOM 0 H VAL A 34 -2.716 10.477 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.368 11.040 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.953 12.645 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.516 14.217 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.797 14.140 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.009 13.304 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.118 12.236 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.552 11.239 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.379 10.718 -4.083 1.00 0.00 H new ATOM 439 N PRO A 35 -5.720 12.719 -5.841 1.00 0.00 N ATOM 440 CA PRO A 35 -6.630 13.524 -6.660 1.00 0.00 C ATOM 441 C PRO A 35 -6.074 14.915 -6.949 1.00 0.00 C ATOM 442 O PRO A 35 -6.030 15.349 -8.100 1.00 0.00 O ATOM 443 CB PRO A 35 -7.891 13.621 -5.798 1.00 0.00 C ATOM 444 CG PRO A 35 -7.408 13.444 -4.400 1.00 0.00 C ATOM 445 CD PRO A 35 -6.241 12.500 -4.482 1.00 0.00 C ATOM 0 HA PRO A 35 -6.800 13.077 -7.639 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.386 14.584 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.615 12.852 -6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.108 14.398 -3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.194 13.038 -3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.491 12.722 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.550 11.465 -4.332 1.00 0.00 H new ATOM 453 N ALA A 36 -5.650 15.607 -5.897 1.00 0.00 N ATOM 454 CA ALA A 36 -5.094 16.947 -6.039 1.00 0.00 C ATOM 455 C ALA A 36 -3.736 16.908 -6.731 1.00 0.00 C ATOM 456 O ALA A 36 -3.499 17.635 -7.695 1.00 0.00 O ATOM 457 CB ALA A 36 -4.977 17.617 -4.678 1.00 0.00 C ATOM 0 H ALA A 36 -5.681 15.262 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.772 17.531 -6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.560 18.617 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.964 17.688 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.322 17.027 -4.037 1.00 0.00 H new ATOM 463 N GLN A 37 -2.847 16.055 -6.231 1.00 0.00 N ATOM 464 CA GLN A 37 -1.512 15.923 -6.801 1.00 0.00 C ATOM 465 C GLN A 37 -1.471 14.807 -7.840 1.00 0.00 C ATOM 466 O GLN A 37 -1.860 13.668 -7.579 1.00 0.00 O ATOM 467 CB GLN A 37 -0.488 15.647 -5.698 1.00 0.00 C ATOM 468 CG GLN A 37 0.893 16.208 -5.995 1.00 0.00 C ATOM 469 CD GLN A 37 1.022 17.671 -5.617 1.00 0.00 C ATOM 470 OE1 GLN A 37 1.450 18.003 -4.512 1.00 0.00 O ATOM 471 NE2 GLN A 37 0.651 18.555 -6.536 1.00 0.00 N ATOM 0 H GLN A 37 -3.027 15.446 -5.433 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.261 16.862 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.850 16.073 -4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.409 14.570 -5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.641 15.629 -5.453 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.108 16.091 -7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.302 18.235 -7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.715 19.554 -6.338 1.00 0.00 H new ATOM 480 N PRO A 38 -0.990 15.139 -9.047 1.00 0.00 N ATOM 481 CA PRO A 38 -0.887 14.178 -10.150 1.00 0.00 C ATOM 482 C PRO A 38 0.188 13.125 -9.903 1.00 0.00 C ATOM 483 O PRO A 38 -0.065 11.926 -10.021 1.00 0.00 O ATOM 484 CB PRO A 38 -0.512 15.053 -11.349 1.00 0.00 C ATOM 485 CG PRO A 38 0.161 16.242 -10.754 1.00 0.00 C ATOM 486 CD PRO A 38 -0.509 16.477 -9.429 1.00 0.00 C ATOM 0 HA PRO A 38 -1.810 13.615 -10.287 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.151 14.524 -12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.395 15.342 -11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.228 16.062 -10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.060 17.113 -11.402 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.187 16.879 -8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.329 17.190 -9.514 1.00 0.00 H new ATOM 494 N SER A 39 1.388 13.581 -9.558 1.00 0.00 N ATOM 495 CA SER A 39 2.502 12.677 -9.297 1.00 0.00 C ATOM 496 C SER A 39 3.220 13.059 -8.006 1.00 0.00 C ATOM 497 O SER A 39 4.357 13.532 -8.014 1.00 0.00 O ATOM 498 CB SER A 39 3.488 12.697 -10.467 1.00 0.00 C ATOM 499 OG SER A 39 3.939 14.015 -10.731 1.00 0.00 O ATOM 0 H SER A 39 1.614 14.570 -9.453 1.00 0.00 H new ATOM 0 HA SER A 39 2.102 11.669 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.340 12.056 -10.240 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.010 12.288 -11.357 1.00 0.00 H new ATOM 0 HG SER A 39 4.364 14.382 -9.928 1.00 0.00 H new ATOM 505 N PRO A 40 2.542 12.848 -6.868 1.00 0.00 N ATOM 506 CA PRO A 40 3.095 13.162 -5.547 1.00 0.00 C ATOM 507 C PRO A 40 4.233 12.225 -5.157 1.00 0.00 C ATOM 508 O PRO A 40 4.624 11.353 -5.933 1.00 0.00 O ATOM 509 CB PRO A 40 1.900 12.972 -4.609 1.00 0.00 C ATOM 510 CG PRO A 40 1.013 12.007 -5.316 1.00 0.00 C ATOM 511 CD PRO A 40 1.183 12.286 -6.783 1.00 0.00 C ATOM 0 HA PRO A 40 3.527 14.162 -5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.215 12.584 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.389 13.917 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.288 10.979 -5.080 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.026 12.137 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.085 11.378 -7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.434 12.989 -7.148 1.00 0.00 H new ATOM 519 N GLN A 41 4.759 12.410 -3.951 1.00 0.00 N ATOM 520 CA GLN A 41 5.853 11.580 -3.460 1.00 0.00 C ATOM 521 C GLN A 41 5.321 10.303 -2.817 1.00 0.00 C ATOM 522 O GLN A 41 4.949 10.297 -1.643 1.00 0.00 O ATOM 523 CB GLN A 41 6.698 12.360 -2.450 1.00 0.00 C ATOM 524 CG GLN A 41 8.117 11.832 -2.310 1.00 0.00 C ATOM 525 CD GLN A 41 8.962 12.094 -3.541 1.00 0.00 C ATOM 526 OE1 GLN A 41 9.065 13.230 -4.007 1.00 0.00 O ATOM 527 NE2 GLN A 41 9.571 11.043 -4.076 1.00 0.00 N ATOM 0 H GLN A 41 4.446 13.127 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 41 6.477 11.304 -4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.736 13.407 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.209 12.327 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.589 12.296 -1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.084 10.760 -2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.458 10.120 -3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.152 11.158 -4.906 1.00 0.00 H new ATOM 536 N ILE A 42 5.289 9.226 -3.593 1.00 0.00 N ATOM 537 CA ILE A 42 4.804 7.943 -3.099 1.00 0.00 C ATOM 538 C ILE A 42 5.891 7.205 -2.326 1.00 0.00 C ATOM 539 O ILE A 42 6.984 6.970 -2.841 1.00 0.00 O ATOM 540 CB ILE A 42 4.310 7.047 -4.250 1.00 0.00 C ATOM 541 CG1 ILE A 42 3.518 7.873 -5.266 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.460 5.908 -3.707 1.00 0.00 C ATOM 543 CD1 ILE A 42 2.230 8.440 -4.710 1.00 0.00 C ATOM 0 H ILE A 42 5.593 9.216 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 42 3.969 8.157 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 42 5.176 6.619 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.143 8.692 -5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.288 7.249 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.118 5.284 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.054 5.307 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.598 6.317 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.721 9.014 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.586 7.625 -4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.454 9.091 -3.865 1.00 0.00 H new ATOM 555 N HIS A 43 5.582 6.840 -1.085 1.00 0.00 N ATOM 556 CA HIS A 43 6.532 6.125 -0.240 1.00 0.00 C ATOM 557 C HIS A 43 5.946 4.800 0.236 1.00 0.00 C ATOM 558 O HIS A 43 4.731 4.602 0.209 1.00 0.00 O ATOM 559 CB HIS A 43 6.924 6.984 0.963 1.00 0.00 C ATOM 560 CG HIS A 43 8.119 7.853 0.715 1.00 0.00 C ATOM 561 ND1 HIS A 43 8.023 9.180 0.355 1.00 0.00 N ATOM 562 CD2 HIS A 43 9.442 7.576 0.778 1.00 0.00 C ATOM 563 CE1 HIS A 43 9.235 9.683 0.207 1.00 0.00 C ATOM 564 NE2 HIS A 43 10.115 8.730 0.458 1.00 0.00 N ATOM 0 H HIS A 43 4.682 7.028 -0.643 1.00 0.00 H new ATOM 0 HA HIS A 43 7.422 5.916 -0.833 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.079 7.614 1.240 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.129 6.333 1.813 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.886 6.625 1.032 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.467 10.700 -0.072 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.129 8.834 0.420 1.00 0.00 H new ATOM 573 N TRP A 44 6.817 3.895 0.670 1.00 0.00 N ATOM 574 CA TRP A 44 6.384 2.588 1.151 1.00 0.00 C ATOM 575 C TRP A 44 7.068 2.240 2.469 1.00 0.00 C ATOM 576 O TRP A 44 8.292 2.129 2.533 1.00 0.00 O ATOM 577 CB TRP A 44 6.685 1.512 0.107 1.00 0.00 C ATOM 578 CG TRP A 44 6.039 1.775 -1.220 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.671 2.053 -2.399 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.636 1.788 -1.502 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.745 2.236 -3.396 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.489 2.079 -2.873 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.489 1.579 -0.731 1.00 0.00 C ATOM 584 CZ2 TRP A 44 3.241 2.167 -3.485 1.00 0.00 C ATOM 585 CZ3 TRP A 44 2.252 1.668 -1.340 1.00 0.00 C ATOM 586 CH2 TRP A 44 2.136 1.958 -2.706 1.00 0.00 C ATOM 0 H TRP A 44 7.826 4.042 0.699 1.00 0.00 H new ATOM 0 HA TRP A 44 5.308 2.629 1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.764 1.440 -0.030 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.347 0.546 0.483 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.741 2.119 -2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.958 2.454 -4.369 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.568 1.352 0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.149 2.392 -4.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.359 1.511 -0.753 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.155 2.018 -3.153 1.00 0.00 H new ATOM 597 N MET A 45 6.270 2.068 3.518 1.00 0.00 N ATOM 598 CA MET A 45 6.799 1.731 4.834 1.00 0.00 C ATOM 599 C MET A 45 6.283 0.372 5.296 1.00 0.00 C ATOM 600 O MET A 45 5.362 -0.189 4.701 1.00 0.00 O ATOM 601 CB MET A 45 6.418 2.807 5.852 1.00 0.00 C ATOM 602 CG MET A 45 6.855 4.206 5.450 1.00 0.00 C ATOM 603 SD MET A 45 6.337 5.463 6.634 1.00 0.00 S ATOM 604 CE MET A 45 7.456 5.130 7.993 1.00 0.00 C ATOM 0 H MET A 45 5.254 2.157 3.482 1.00 0.00 H new ATOM 0 HA MET A 45 7.885 1.681 4.759 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.337 2.799 5.990 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.864 2.559 6.815 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.940 4.229 5.353 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.442 4.444 4.470 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.384 5.931 8.728 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.188 4.183 8.461 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.478 5.073 7.618 1.00 0.00 H new ATOM 614 N LYS A 46 6.883 -0.154 6.358 1.00 0.00 N ATOM 615 CA LYS A 46 6.484 -1.447 6.901 1.00 0.00 C ATOM 616 C LYS A 46 6.626 -1.467 8.420 1.00 0.00 C ATOM 617 O LYS A 46 7.737 -1.506 8.948 1.00 0.00 O ATOM 618 CB LYS A 46 7.328 -2.565 6.284 1.00 0.00 C ATOM 619 CG LYS A 46 6.845 -3.960 6.643 1.00 0.00 C ATOM 620 CD LYS A 46 7.559 -5.024 5.826 1.00 0.00 C ATOM 621 CE LYS A 46 7.051 -6.417 6.160 1.00 0.00 C ATOM 622 NZ LYS A 46 7.998 -7.476 5.711 1.00 0.00 N ATOM 0 H LYS A 46 7.648 0.296 6.860 1.00 0.00 H new ATOM 0 HA LYS A 46 5.436 -1.611 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.324 -2.456 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.361 -2.452 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.012 -4.142 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.771 -4.029 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.413 -4.827 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.631 -4.971 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.898 -6.499 7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.081 -6.573 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.623 -8.410 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.112 -7.425 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.921 -7.333 6.168 1.00 0.00 H new ATOM 636 N ASP A 47 5.494 -1.442 9.115 1.00 0.00 N ATOM 637 CA ASP A 47 5.493 -1.459 10.574 1.00 0.00 C ATOM 638 C ASP A 47 6.168 -0.211 11.133 1.00 0.00 C ATOM 639 O ASP A 47 6.992 -0.293 12.043 1.00 0.00 O ATOM 640 CB ASP A 47 6.202 -2.712 11.090 1.00 0.00 C ATOM 641 CG ASP A 47 5.830 -3.039 12.523 1.00 0.00 C ATOM 642 OD1 ASP A 47 6.504 -2.527 13.443 1.00 0.00 O ATOM 643 OD2 ASP A 47 4.865 -3.805 12.726 1.00 0.00 O ATOM 0 H ASP A 47 4.566 -1.410 8.693 1.00 0.00 H new ATOM 0 HA ASP A 47 4.457 -1.471 10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.950 -3.558 10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.281 -2.570 11.021 1.00 0.00 H new ATOM 648 N GLY A 48 5.813 0.945 10.581 1.00 0.00 N ATOM 649 CA GLY A 48 6.395 2.194 11.036 1.00 0.00 C ATOM 650 C GLY A 48 7.881 2.281 10.749 1.00 0.00 C ATOM 651 O GLY A 48 8.634 2.887 11.512 1.00 0.00 O ATOM 0 H GLY A 48 5.133 1.039 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.885 3.026 10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.229 2.299 12.108 1.00 0.00 H new ATOM 655 N VAL A 49 8.306 1.671 9.647 1.00 0.00 N ATOM 656 CA VAL A 49 9.712 1.681 9.262 1.00 0.00 C ATOM 657 C VAL A 49 9.866 1.794 7.749 1.00 0.00 C ATOM 658 O VAL A 49 9.316 1.003 6.983 1.00 0.00 O ATOM 659 CB VAL A 49 10.436 0.410 9.747 1.00 0.00 C ATOM 660 CG1 VAL A 49 11.910 0.460 9.374 1.00 0.00 C ATOM 661 CG2 VAL A 49 10.263 0.240 11.248 1.00 0.00 C ATOM 0 H VAL A 49 7.697 1.164 9.005 1.00 0.00 H new ATOM 0 HA VAL A 49 10.164 2.552 9.737 1.00 0.00 H new ATOM 0 HB VAL A 49 9.990 -0.453 9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.405 -0.446 9.725 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.009 0.532 8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.374 1.330 9.839 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.780 -0.662 11.574 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.682 1.105 11.763 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.202 0.156 11.485 1.00 0.00 H new ATOM 671 N PRO A 50 10.634 2.801 7.307 1.00 0.00 N ATOM 672 CA PRO A 50 10.880 3.042 5.882 1.00 0.00 C ATOM 673 C PRO A 50 11.760 1.966 5.256 1.00 0.00 C ATOM 674 O PRO A 50 12.915 1.788 5.647 1.00 0.00 O ATOM 675 CB PRO A 50 11.597 4.394 5.869 1.00 0.00 C ATOM 676 CG PRO A 50 12.239 4.495 7.209 1.00 0.00 C ATOM 677 CD PRO A 50 11.321 3.782 8.163 1.00 0.00 C ATOM 0 HA PRO A 50 9.958 3.028 5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.338 4.442 5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.896 5.212 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.228 4.037 7.203 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.372 5.537 7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.875 3.296 8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.617 4.469 8.632 1.00 0.00 H new ATOM 685 N LEU A 51 11.210 1.250 4.281 1.00 0.00 N ATOM 686 CA LEU A 51 11.946 0.191 3.600 1.00 0.00 C ATOM 687 C LEU A 51 12.817 0.763 2.486 1.00 0.00 C ATOM 688 O LEU A 51 12.447 1.718 1.803 1.00 0.00 O ATOM 689 CB LEU A 51 10.976 -0.842 3.024 1.00 0.00 C ATOM 690 CG LEU A 51 10.016 -1.492 4.022 1.00 0.00 C ATOM 691 CD1 LEU A 51 8.724 -1.901 3.332 1.00 0.00 C ATOM 692 CD2 LEU A 51 10.672 -2.693 4.687 1.00 0.00 C ATOM 0 H LEU A 51 10.256 1.384 3.944 1.00 0.00 H new ATOM 0 HA LEU A 51 12.594 -0.295 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.386 -0.361 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.558 -1.629 2.545 1.00 0.00 H new ATOM 0 HG LEU A 51 9.775 -0.761 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.054 -2.361 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.245 -1.020 2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.945 -2.615 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.975 -3.143 5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.943 -3.426 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.569 -2.371 5.217 1.00 0.00 H new ATOM 704 N PRO A 52 14.002 0.165 2.296 1.00 0.00 N ATOM 705 CA PRO A 52 14.950 0.596 1.264 1.00 0.00 C ATOM 706 C PRO A 52 14.455 0.284 -0.144 1.00 0.00 C ATOM 707 O PRO A 52 14.820 -0.737 -0.730 1.00 0.00 O ATOM 708 CB PRO A 52 16.211 -0.213 1.579 1.00 0.00 C ATOM 709 CG PRO A 52 15.716 -1.423 2.293 1.00 0.00 C ATOM 710 CD PRO A 52 14.509 -0.979 3.072 1.00 0.00 C ATOM 0 HA PRO A 52 15.105 1.675 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.747 -0.482 0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.903 0.357 2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.457 -2.213 1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.482 -1.826 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.766 -1.773 3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.772 -0.689 4.089 1.00 0.00 H new ATOM 718 N LEU A 53 13.624 1.168 -0.684 1.00 0.00 N ATOM 719 CA LEU A 53 13.079 0.987 -2.025 1.00 0.00 C ATOM 720 C LEU A 53 12.754 2.332 -2.667 1.00 0.00 C ATOM 721 O LEU A 53 12.488 3.323 -1.988 1.00 0.00 O ATOM 722 CB LEU A 53 11.823 0.116 -1.973 1.00 0.00 C ATOM 723 CG LEU A 53 12.047 -1.370 -1.690 1.00 0.00 C ATOM 724 CD1 LEU A 53 10.746 -2.035 -1.268 1.00 0.00 C ATOM 725 CD2 LEU A 53 12.631 -2.064 -2.912 1.00 0.00 C ATOM 0 H LEU A 53 13.313 2.018 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 53 13.834 0.489 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.160 0.515 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.301 0.209 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 53 12.760 -1.460 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.925 -3.092 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.369 -1.556 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.010 -1.934 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.784 -3.121 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.943 -1.964 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.586 -1.605 -3.169 1.00 0.00 H new ATOM 737 N PRO A 54 12.772 2.368 -4.008 1.00 0.00 N ATOM 738 CA PRO A 54 12.478 3.584 -4.771 1.00 0.00 C ATOM 739 C PRO A 54 11.009 3.984 -4.683 1.00 0.00 C ATOM 740 O PRO A 54 10.108 3.150 -4.776 1.00 0.00 O ATOM 741 CB PRO A 54 12.842 3.199 -6.207 1.00 0.00 C ATOM 742 CG PRO A 54 12.697 1.717 -6.250 1.00 0.00 C ATOM 743 CD PRO A 54 13.080 1.224 -4.882 1.00 0.00 C ATOM 0 HA PRO A 54 13.030 4.445 -4.393 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.181 3.683 -6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.859 3.505 -6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.674 1.432 -6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.341 1.284 -7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.511 0.338 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.135 0.954 -4.833 1.00 0.00 H new ATOM 751 N PRO A 55 10.760 5.289 -4.500 1.00 0.00 N ATOM 752 CA PRO A 55 9.401 5.828 -4.396 1.00 0.00 C ATOM 753 C PRO A 55 8.652 5.771 -5.723 1.00 0.00 C ATOM 754 O PRO A 55 8.952 6.523 -6.649 1.00 0.00 O ATOM 755 CB PRO A 55 9.627 7.281 -3.972 1.00 0.00 C ATOM 756 CG PRO A 55 10.992 7.613 -4.469 1.00 0.00 C ATOM 757 CD PRO A 55 11.785 6.339 -4.380 1.00 0.00 C ATOM 0 HA PRO A 55 8.788 5.257 -3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.876 7.941 -4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.562 7.392 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.956 7.979 -5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.447 8.399 -3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.526 6.270 -5.177 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.325 6.267 -3.436 1.00 0.00 H new ATOM 765 N SER A 56 7.675 4.873 -5.807 1.00 0.00 N ATOM 766 CA SER A 56 6.884 4.716 -7.023 1.00 0.00 C ATOM 767 C SER A 56 5.407 4.534 -6.690 1.00 0.00 C ATOM 768 O SER A 56 5.041 3.997 -5.645 1.00 0.00 O ATOM 769 CB SER A 56 7.388 3.519 -7.832 1.00 0.00 C ATOM 770 OG SER A 56 8.403 3.908 -8.741 1.00 0.00 O ATOM 0 H SER A 56 7.412 4.244 -5.048 1.00 0.00 H new ATOM 0 HA SER A 56 6.995 5.622 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.774 2.756 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.558 3.070 -8.379 1.00 0.00 H new ATOM 0 HG SER A 56 8.709 3.125 -9.244 1.00 0.00 H new ATOM 776 N PRO A 57 4.535 4.994 -7.601 1.00 0.00 N ATOM 777 CA PRO A 57 3.083 4.893 -7.428 1.00 0.00 C ATOM 778 C PRO A 57 2.585 3.456 -7.532 1.00 0.00 C ATOM 779 O PRO A 57 1.390 3.191 -7.397 1.00 0.00 O ATOM 780 CB PRO A 57 2.530 5.736 -8.580 1.00 0.00 C ATOM 781 CG PRO A 57 3.598 5.707 -9.618 1.00 0.00 C ATOM 782 CD PRO A 57 4.901 5.645 -8.870 1.00 0.00 C ATOM 0 HA PRO A 57 2.765 5.232 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.597 5.322 -8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.318 6.756 -8.258 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.482 4.843 -10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.552 6.594 -10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.650 5.071 -9.415 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.318 6.639 -8.706 1.00 0.00 H new ATOM 790 N VAL A 58 3.508 2.530 -7.773 1.00 0.00 N ATOM 791 CA VAL A 58 3.162 1.119 -7.893 1.00 0.00 C ATOM 792 C VAL A 58 4.208 0.237 -7.220 1.00 0.00 C ATOM 793 O VAL A 58 5.317 0.070 -7.730 1.00 0.00 O ATOM 794 CB VAL A 58 3.026 0.699 -9.369 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.729 -0.789 -9.475 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.944 1.517 -10.058 1.00 0.00 C ATOM 0 H VAL A 58 4.501 2.732 -7.889 1.00 0.00 H new ATOM 0 HA VAL A 58 2.202 0.985 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 58 3.973 0.893 -9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.636 -1.068 -10.525 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.541 -1.355 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.796 -1.012 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.862 1.207 -11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.990 1.356 -9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.204 2.575 -10.014 1.00 0.00 H new ATOM 806 N LEU A 59 3.848 -0.325 -6.072 1.00 0.00 N ATOM 807 CA LEU A 59 4.755 -1.192 -5.327 1.00 0.00 C ATOM 808 C LEU A 59 4.315 -2.649 -5.419 1.00 0.00 C ATOM 809 O LEU A 59 3.322 -3.047 -4.809 1.00 0.00 O ATOM 810 CB LEU A 59 4.818 -0.758 -3.861 1.00 0.00 C ATOM 811 CG LEU A 59 5.183 -1.849 -2.854 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.591 -2.362 -3.110 1.00 0.00 C ATOM 813 CD2 LEU A 59 5.055 -1.324 -1.431 1.00 0.00 C ATOM 0 H LEU A 59 2.935 -0.196 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 59 5.747 -1.103 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.546 0.049 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.849 -0.344 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 59 4.488 -2.680 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.833 -3.138 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.650 -2.776 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.301 -1.540 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.318 -2.113 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.727 -0.477 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.028 -1.006 -1.252 1.00 0.00 H new ATOM 825 N ILE A 60 5.061 -3.440 -6.183 1.00 0.00 N ATOM 826 CA ILE A 60 4.749 -4.854 -6.352 1.00 0.00 C ATOM 827 C ILE A 60 5.591 -5.718 -5.420 1.00 0.00 C ATOM 828 O ILE A 60 6.813 -5.576 -5.359 1.00 0.00 O ATOM 829 CB ILE A 60 4.978 -5.311 -7.805 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.047 -4.554 -8.754 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.763 -6.812 -7.928 1.00 0.00 C ATOM 832 CD1 ILE A 60 4.631 -4.344 -10.133 1.00 0.00 C ATOM 0 H ILE A 60 5.886 -3.126 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 60 3.695 -4.977 -6.103 1.00 0.00 H new ATOM 0 HB ILE A 60 6.008 -5.087 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.110 -5.103 -8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.807 -3.584 -8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.928 -7.120 -8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.464 -7.335 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.743 -7.059 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.917 -3.801 -10.752 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.553 -3.769 -10.054 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.845 -5.311 -10.589 1.00 0.00 H new ATOM 844 N LEU A 61 4.931 -6.614 -4.696 1.00 0.00 N ATOM 845 CA LEU A 61 5.619 -7.504 -3.767 1.00 0.00 C ATOM 846 C LEU A 61 5.596 -8.943 -4.273 1.00 0.00 C ATOM 847 O LEU A 61 4.903 -9.806 -3.733 1.00 0.00 O ATOM 848 CB LEU A 61 4.972 -7.428 -2.383 1.00 0.00 C ATOM 849 CG LEU A 61 5.915 -7.591 -1.191 1.00 0.00 C ATOM 850 CD1 LEU A 61 6.597 -8.950 -1.231 1.00 0.00 C ATOM 851 CD2 LEU A 61 6.949 -6.474 -1.172 1.00 0.00 C ATOM 0 H LEU A 61 3.920 -6.744 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 61 6.657 -7.180 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.467 -6.466 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.203 -8.198 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 61 5.326 -7.530 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.264 -9.048 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.843 -9.737 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.173 -9.041 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.612 -6.606 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.533 -6.503 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.443 -5.511 -1.094 1.00 0.00 H new ATOM 863 N PRO A 62 6.373 -9.210 -5.333 1.00 0.00 N ATOM 864 CA PRO A 62 6.461 -10.544 -5.934 1.00 0.00 C ATOM 865 C PRO A 62 7.183 -11.539 -5.031 1.00 0.00 C ATOM 866 O PRO A 62 8.070 -11.165 -4.265 1.00 0.00 O ATOM 867 CB PRO A 62 7.264 -10.304 -7.215 1.00 0.00 C ATOM 868 CG PRO A 62 8.069 -9.082 -6.934 1.00 0.00 C ATOM 869 CD PRO A 62 7.225 -8.230 -6.027 1.00 0.00 C ATOM 0 HA PRO A 62 5.477 -10.979 -6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.904 -11.155 -7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.607 -10.157 -8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.016 -9.339 -6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.309 -8.552 -7.856 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.836 -7.662 -5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.632 -7.509 -6.590 1.00 0.00 H new ATOM 877 N GLU A 63 6.796 -12.808 -5.128 1.00 0.00 N ATOM 878 CA GLU A 63 7.407 -13.856 -4.319 1.00 0.00 C ATOM 879 C GLU A 63 7.165 -13.607 -2.833 1.00 0.00 C ATOM 880 O GLU A 63 8.107 -13.548 -2.042 1.00 0.00 O ATOM 881 CB GLU A 63 8.910 -13.934 -4.597 1.00 0.00 C ATOM 882 CG GLU A 63 9.260 -14.756 -5.825 1.00 0.00 C ATOM 883 CD GLU A 63 10.722 -15.158 -5.861 1.00 0.00 C ATOM 884 OE1 GLU A 63 11.344 -15.232 -4.781 1.00 0.00 O ATOM 885 OE2 GLU A 63 11.243 -15.400 -6.970 1.00 0.00 O ATOM 0 H GLU A 63 6.063 -13.134 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 63 6.945 -14.805 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.300 -12.924 -4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.410 -14.363 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.640 -15.652 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.023 -14.183 -6.721 1.00 0.00 H new ATOM 892 N ILE A 64 5.898 -13.461 -2.463 1.00 0.00 N ATOM 893 CA ILE A 64 5.532 -13.219 -1.072 1.00 0.00 C ATOM 894 C ILE A 64 5.681 -14.486 -0.236 1.00 0.00 C ATOM 895 O ILE A 64 5.394 -15.587 -0.703 1.00 0.00 O ATOM 896 CB ILE A 64 4.085 -12.705 -0.952 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.056 -11.177 -1.020 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.455 -13.195 0.343 1.00 0.00 C ATOM 899 CD1 ILE A 64 2.672 -10.609 -1.243 1.00 0.00 C ATOM 0 H ILE A 64 5.107 -13.506 -3.106 1.00 0.00 H new ATOM 0 HA ILE A 64 6.212 -12.456 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 64 3.505 -13.098 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.461 -10.772 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.711 -10.845 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.433 -12.824 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.447 -14.285 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.034 -12.828 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.727 -9.521 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.272 -10.985 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.018 -10.911 -0.425 1.00 0.00 H new ATOM 911 N GLY A 65 6.131 -14.320 1.004 1.00 0.00 N ATOM 912 CA GLY A 65 6.309 -15.458 1.887 1.00 0.00 C ATOM 913 C GLY A 65 6.013 -15.121 3.334 1.00 0.00 C ATOM 914 O GLY A 65 5.267 -14.190 3.637 1.00 0.00 O ATOM 0 H GLY A 65 6.375 -13.418 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.656 -16.269 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.333 -15.821 1.804 1.00 0.00 H new ATOM 918 N PRO A 66 6.607 -15.891 4.259 1.00 0.00 N ATOM 919 CA PRO A 66 6.417 -15.688 5.698 1.00 0.00 C ATOM 920 C PRO A 66 7.081 -14.409 6.196 1.00 0.00 C ATOM 921 O PRO A 66 6.747 -13.903 7.267 1.00 0.00 O ATOM 922 CB PRO A 66 7.087 -16.916 6.320 1.00 0.00 C ATOM 923 CG PRO A 66 8.098 -17.346 5.314 1.00 0.00 C ATOM 924 CD PRO A 66 7.509 -17.018 3.970 1.00 0.00 C ATOM 0 HA PRO A 66 5.364 -15.581 5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.556 -16.671 7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.362 -17.706 6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.044 -16.825 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.305 -18.413 5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.279 -16.742 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.970 -17.867 3.550 1.00 0.00 H new ATOM 932 N GLN A 67 8.020 -13.891 5.411 1.00 0.00 N ATOM 933 CA GLN A 67 8.730 -12.670 5.774 1.00 0.00 C ATOM 934 C GLN A 67 7.951 -11.436 5.334 1.00 0.00 C ATOM 935 O GLN A 67 8.198 -10.329 5.814 1.00 0.00 O ATOM 936 CB GLN A 67 10.124 -12.659 5.144 1.00 0.00 C ATOM 937 CG GLN A 67 10.107 -12.764 3.627 1.00 0.00 C ATOM 938 CD GLN A 67 11.493 -12.672 3.020 1.00 0.00 C ATOM 939 OE1 GLN A 67 12.471 -12.395 3.715 1.00 0.00 O ATOM 940 NE2 GLN A 67 11.585 -12.904 1.716 1.00 0.00 N ATOM 0 H GLN A 67 8.307 -14.297 4.520 1.00 0.00 H new ATOM 0 HA GLN A 67 8.829 -12.647 6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.636 -11.740 5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.704 -13.487 5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.650 -13.710 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.482 -11.970 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.748 -13.130 1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.492 -12.856 1.252 1.00 0.00 H new ATOM 949 N ASP A 68 7.009 -11.633 4.418 1.00 0.00 N ATOM 950 CA ASP A 68 6.192 -10.535 3.914 1.00 0.00 C ATOM 951 C ASP A 68 5.096 -10.170 4.910 1.00 0.00 C ATOM 952 O ASP A 68 4.742 -9.001 5.057 1.00 0.00 O ATOM 953 CB ASP A 68 5.570 -10.911 2.568 1.00 0.00 C ATOM 954 CG ASP A 68 4.255 -10.199 2.319 1.00 0.00 C ATOM 955 OD1 ASP A 68 3.230 -10.632 2.884 1.00 0.00 O ATOM 956 OD2 ASP A 68 4.251 -9.209 1.557 1.00 0.00 O ATOM 0 H ASP A 68 6.792 -12.542 4.010 1.00 0.00 H new ATOM 0 HA ASP A 68 6.838 -9.667 3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.269 -10.668 1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.409 -11.988 2.534 1.00 0.00 H new ATOM 961 N GLN A 69 4.563 -11.180 5.591 1.00 0.00 N ATOM 962 CA GLN A 69 3.506 -10.965 6.573 1.00 0.00 C ATOM 963 C GLN A 69 3.791 -9.728 7.418 1.00 0.00 C ATOM 964 O GLN A 69 4.733 -9.708 8.209 1.00 0.00 O ATOM 965 CB GLN A 69 3.361 -12.191 7.475 1.00 0.00 C ATOM 966 CG GLN A 69 2.534 -13.307 6.858 1.00 0.00 C ATOM 967 CD GLN A 69 2.493 -14.551 7.723 1.00 0.00 C ATOM 968 OE1 GLN A 69 2.985 -15.662 7.186 1.00 0.00 O flip ATOM 969 NE2 GLN A 69 2.025 -14.515 8.861 1.00 0.00 N flip ATOM 0 H GLN A 69 4.845 -12.154 5.481 1.00 0.00 H new ATOM 0 HA GLN A 69 2.572 -10.807 6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.353 -12.575 7.714 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.901 -11.887 8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.517 -12.951 6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.946 -13.562 5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.658 -13.640 9.234 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.005 -15.361 9.431 1.00 0.00 H new ATOM 978 N GLY A 70 2.970 -8.696 7.244 1.00 0.00 N ATOM 979 CA GLY A 70 3.152 -7.469 7.997 1.00 0.00 C ATOM 980 C GLY A 70 2.143 -6.402 7.619 1.00 0.00 C ATOM 981 O GLY A 70 1.009 -6.711 7.253 1.00 0.00 O ATOM 0 H GLY A 70 2.183 -8.688 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.067 -7.684 9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.159 -7.088 7.828 1.00 0.00 H new ATOM 985 N THR A 71 2.556 -5.141 7.710 1.00 0.00 N ATOM 986 CA THR A 71 1.680 -4.025 7.377 1.00 0.00 C ATOM 987 C THR A 71 2.283 -3.162 6.275 1.00 0.00 C ATOM 988 O THR A 71 3.481 -2.877 6.282 1.00 0.00 O ATOM 989 CB THR A 71 1.401 -3.144 8.609 1.00 0.00 C ATOM 990 OG1 THR A 71 2.519 -3.183 9.503 1.00 0.00 O ATOM 991 CG2 THR A 71 0.148 -3.609 9.336 1.00 0.00 C ATOM 0 H THR A 71 3.491 -4.868 8.011 1.00 0.00 H new ATOM 0 HA THR A 71 0.741 -4.454 7.026 1.00 0.00 H new ATOM 0 HB THR A 71 1.245 -2.121 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.334 -2.619 10.283 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.028 -2.971 10.202 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.707 -3.550 8.662 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.280 -4.640 9.665 1.00 0.00 H new ATOM 999 N TYR A 72 1.447 -2.748 5.330 1.00 0.00 N ATOM 1000 CA TYR A 72 1.899 -1.918 4.220 1.00 0.00 C ATOM 1001 C TYR A 72 0.970 -0.725 4.018 1.00 0.00 C ATOM 1002 O TYR A 72 -0.238 -0.886 3.845 1.00 0.00 O ATOM 1003 CB TYR A 72 1.972 -2.744 2.935 1.00 0.00 C ATOM 1004 CG TYR A 72 3.071 -3.783 2.944 1.00 0.00 C ATOM 1005 CD1 TYR A 72 2.949 -4.945 3.695 1.00 0.00 C ATOM 1006 CD2 TYR A 72 4.231 -3.602 2.201 1.00 0.00 C ATOM 1007 CE1 TYR A 72 3.951 -5.896 3.707 1.00 0.00 C ATOM 1008 CE2 TYR A 72 5.237 -4.548 2.206 1.00 0.00 C ATOM 1009 CZ TYR A 72 5.093 -5.693 2.961 1.00 0.00 C ATOM 1010 OH TYR A 72 6.093 -6.639 2.970 1.00 0.00 O ATOM 0 H TYR A 72 0.452 -2.974 5.310 1.00 0.00 H new ATOM 0 HA TYR A 72 2.894 -1.544 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.015 -3.241 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.125 -2.073 2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.056 -5.108 4.280 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.348 -2.706 1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.841 -6.794 4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.132 -4.392 1.622 1.00 0.00 H new ATOM 0 HH TYR A 72 6.827 -6.344 2.392 1.00 0.00 H new ATOM 1020 N SER A 73 1.543 0.474 4.041 1.00 0.00 N ATOM 1021 CA SER A 73 0.768 1.696 3.864 1.00 0.00 C ATOM 1022 C SER A 73 1.563 2.735 3.080 1.00 0.00 C ATOM 1023 O SER A 73 2.791 2.786 3.160 1.00 0.00 O ATOM 1024 CB SER A 73 0.361 2.269 5.223 1.00 0.00 C ATOM 1025 OG SER A 73 -0.069 3.614 5.103 1.00 0.00 O ATOM 0 H SER A 73 2.542 0.625 4.181 1.00 0.00 H new ATOM 0 HA SER A 73 -0.130 1.448 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.439 1.665 5.650 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.204 2.214 5.911 1.00 0.00 H new ATOM 0 HG SER A 73 -1.002 3.686 5.393 1.00 0.00 H new ATOM 1031 N CYS A 74 0.854 3.564 2.320 1.00 0.00 N ATOM 1032 CA CYS A 74 1.491 4.603 1.520 1.00 0.00 C ATOM 1033 C CYS A 74 1.524 5.928 2.275 1.00 0.00 C ATOM 1034 O CYS A 74 0.677 6.190 3.130 1.00 0.00 O ATOM 1035 CB CYS A 74 0.751 4.778 0.192 1.00 0.00 C ATOM 1036 SG CYS A 74 0.996 6.407 -0.586 1.00 0.00 S ATOM 0 H CYS A 74 -0.163 3.536 2.242 1.00 0.00 H new ATOM 0 HA CYS A 74 2.517 4.294 1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.081 4.003 -0.500 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.315 4.624 0.359 1.00 0.00 H new ATOM 1041 N VAL A 75 2.508 6.762 1.953 1.00 0.00 N ATOM 1042 CA VAL A 75 2.652 8.061 2.600 1.00 0.00 C ATOM 1043 C VAL A 75 2.924 9.157 1.576 1.00 0.00 C ATOM 1044 O VAL A 75 4.008 9.226 0.999 1.00 0.00 O ATOM 1045 CB VAL A 75 3.790 8.049 3.637 1.00 0.00 C ATOM 1046 CG1 VAL A 75 3.861 9.381 4.368 1.00 0.00 C ATOM 1047 CG2 VAL A 75 3.604 6.902 4.619 1.00 0.00 C ATOM 0 H VAL A 75 3.217 6.561 1.248 1.00 0.00 H new ATOM 0 HA VAL A 75 1.710 8.268 3.108 1.00 0.00 H new ATOM 0 HB VAL A 75 4.734 7.899 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.671 9.353 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.045 10.180 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.917 9.565 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.417 6.909 5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.653 7.019 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.608 5.956 4.078 1.00 0.00 H new ATOM 1057 N ALA A 76 1.931 10.013 1.356 1.00 0.00 N ATOM 1058 CA ALA A 76 2.064 11.108 0.403 1.00 0.00 C ATOM 1059 C ALA A 76 2.162 12.450 1.120 1.00 0.00 C ATOM 1060 O ALA A 76 1.360 12.755 2.004 1.00 0.00 O ATOM 1061 CB ALA A 76 0.891 11.110 -0.566 1.00 0.00 C ATOM 0 H ALA A 76 1.026 9.969 1.825 1.00 0.00 H new ATOM 0 HA ALA A 76 2.985 10.958 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.004 11.933 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.867 10.166 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.039 11.233 -0.011 1.00 0.00 H new ATOM 1067 N THR A 77 3.151 13.251 0.735 1.00 0.00 N ATOM 1068 CA THR A 77 3.355 14.560 1.342 1.00 0.00 C ATOM 1069 C THR A 77 3.885 15.562 0.323 1.00 0.00 C ATOM 1070 O THR A 77 4.781 15.250 -0.461 1.00 0.00 O ATOM 1071 CB THR A 77 4.336 14.483 2.527 1.00 0.00 C ATOM 1072 OG1 THR A 77 4.189 15.638 3.361 1.00 0.00 O ATOM 1073 CG2 THR A 77 5.772 14.385 2.035 1.00 0.00 C ATOM 0 H THR A 77 3.823 13.015 0.005 1.00 0.00 H new ATOM 0 HA THR A 77 2.383 14.895 1.705 1.00 0.00 H new ATOM 0 HB THR A 77 4.105 13.588 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.815 15.580 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.447 14.332 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.887 13.489 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.013 15.264 1.437 1.00 0.00 H new ATOM 1081 N HIS A 78 3.326 16.768 0.340 1.00 0.00 N ATOM 1082 CA HIS A 78 3.743 17.818 -0.583 1.00 0.00 C ATOM 1083 C HIS A 78 3.256 19.184 -0.109 1.00 0.00 C ATOM 1084 O HIS A 78 2.535 19.286 0.883 1.00 0.00 O ATOM 1085 CB HIS A 78 3.212 17.533 -1.987 1.00 0.00 C ATOM 1086 CG HIS A 78 1.919 16.775 -1.996 1.00 0.00 C ATOM 1087 ND1 HIS A 78 1.638 15.777 -2.905 1.00 0.00 N ATOM 1088 CD2 HIS A 78 0.830 16.874 -1.199 1.00 0.00 C ATOM 1089 CE1 HIS A 78 0.431 15.296 -2.667 1.00 0.00 C ATOM 1090 NE2 HIS A 78 -0.081 15.944 -1.637 1.00 0.00 N ATOM 0 H HIS A 78 2.583 17.042 0.983 1.00 0.00 H new ATOM 0 HA HIS A 78 4.833 17.831 -0.611 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.074 18.478 -2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.960 16.966 -2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 78 0.701 17.557 -0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.055 14.506 -3.221 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -1.003 15.781 -1.232 1.00 0.00 H new ATOM 1099 N SER A 79 3.655 20.230 -0.825 1.00 0.00 N ATOM 1100 CA SER A 79 3.263 21.590 -0.475 1.00 0.00 C ATOM 1101 C SER A 79 1.749 21.696 -0.320 1.00 0.00 C ATOM 1102 O SER A 79 1.239 22.643 0.279 1.00 0.00 O ATOM 1103 CB SER A 79 3.748 22.574 -1.541 1.00 0.00 C ATOM 1104 OG SER A 79 2.924 22.525 -2.693 1.00 0.00 O ATOM 0 H SER A 79 4.250 20.162 -1.651 1.00 0.00 H new ATOM 0 HA SER A 79 3.727 21.841 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.749 23.585 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.777 22.340 -1.816 1.00 0.00 H new ATOM 0 HG SER A 79 3.254 23.164 -3.359 1.00 0.00 H new ATOM 1110 N SER A 80 1.035 20.716 -0.864 1.00 0.00 N ATOM 1111 CA SER A 80 -0.422 20.699 -0.791 1.00 0.00 C ATOM 1112 C SER A 80 -0.891 20.373 0.623 1.00 0.00 C ATOM 1113 O SER A 80 -1.933 20.854 1.071 1.00 0.00 O ATOM 1114 CB SER A 80 -0.991 19.678 -1.778 1.00 0.00 C ATOM 1115 OG SER A 80 -1.125 20.239 -3.072 1.00 0.00 O ATOM 0 H SER A 80 1.441 19.923 -1.360 1.00 0.00 H new ATOM 0 HA SER A 80 -0.786 21.692 -1.056 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.337 18.807 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.962 19.330 -1.427 1.00 0.00 H new ATOM 0 HG SER A 80 -1.489 19.566 -3.684 1.00 0.00 H new ATOM 1121 N HIS A 81 -0.114 19.553 1.323 1.00 0.00 N ATOM 1122 CA HIS A 81 -0.449 19.162 2.688 1.00 0.00 C ATOM 1123 C HIS A 81 0.712 18.416 3.340 1.00 0.00 C ATOM 1124 O HIS A 81 1.579 17.875 2.654 1.00 0.00 O ATOM 1125 CB HIS A 81 -1.702 18.286 2.698 1.00 0.00 C ATOM 1126 CG HIS A 81 -2.975 19.063 2.828 1.00 0.00 C ATOM 1127 ND1 HIS A 81 -3.308 19.776 3.960 1.00 0.00 N ATOM 1128 CD2 HIS A 81 -3.998 19.239 1.960 1.00 0.00 C ATOM 1129 CE1 HIS A 81 -4.483 20.355 3.783 1.00 0.00 C ATOM 1130 NE2 HIS A 81 -4.923 20.045 2.577 1.00 0.00 N ATOM 0 H HIS A 81 0.752 19.146 0.968 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.644 20.068 3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.735 17.702 1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.633 17.577 3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -4.073 18.823 0.966 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.996 20.976 4.502 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.806 20.354 2.170 1.00 0.00 H new ATOM 1139 N GLY A 82 0.723 18.393 4.669 1.00 0.00 N ATOM 1140 CA GLY A 82 1.782 17.713 5.391 1.00 0.00 C ATOM 1141 C GLY A 82 1.838 16.231 5.077 1.00 0.00 C ATOM 1142 O GLY A 82 1.403 15.782 4.016 1.00 0.00 O ATOM 0 H GLY A 82 0.017 18.833 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.739 18.171 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.633 17.849 6.462 1.00 0.00 H new ATOM 1146 N PRO A 83 2.387 15.444 6.015 1.00 0.00 N ATOM 1147 CA PRO A 83 2.513 13.992 5.855 1.00 0.00 C ATOM 1148 C PRO A 83 1.163 13.284 5.910 1.00 0.00 C ATOM 1149 O PRO A 83 0.545 13.191 6.970 1.00 0.00 O ATOM 1150 CB PRO A 83 3.383 13.578 7.044 1.00 0.00 C ATOM 1151 CG PRO A 83 3.153 14.636 8.068 1.00 0.00 C ATOM 1152 CD PRO A 83 2.926 15.910 7.303 1.00 0.00 C ATOM 0 HA PRO A 83 2.936 13.724 4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.099 12.595 7.419 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.435 13.520 6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.291 14.396 8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.011 14.728 8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.225 16.568 7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.852 16.470 7.172 1.00 0.00 H new ATOM 1160 N GLN A 84 0.714 12.786 4.763 1.00 0.00 N ATOM 1161 CA GLN A 84 -0.563 12.086 4.682 1.00 0.00 C ATOM 1162 C GLN A 84 -0.351 10.592 4.459 1.00 0.00 C ATOM 1163 O GLN A 84 0.405 10.188 3.577 1.00 0.00 O ATOM 1164 CB GLN A 84 -1.416 12.666 3.553 1.00 0.00 C ATOM 1165 CG GLN A 84 -2.912 12.546 3.797 1.00 0.00 C ATOM 1166 CD GLN A 84 -3.416 11.125 3.638 1.00 0.00 C ATOM 1167 OE1 GLN A 84 -2.720 10.264 3.098 1.00 0.00 O ATOM 1168 NE2 GLN A 84 -4.631 10.872 4.109 1.00 0.00 N ATOM 0 H GLN A 84 1.215 12.854 3.877 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.085 12.223 5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.161 13.717 3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.166 12.157 2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.142 12.899 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.443 13.196 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.173 11.616 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.023 9.934 4.031 1.00 0.00 H new ATOM 1177 N GLU A 85 -1.025 9.778 5.266 1.00 0.00 N ATOM 1178 CA GLU A 85 -0.909 8.328 5.157 1.00 0.00 C ATOM 1179 C GLU A 85 -2.282 7.683 4.998 1.00 0.00 C ATOM 1180 O GLU A 85 -3.259 8.121 5.606 1.00 0.00 O ATOM 1181 CB GLU A 85 -0.204 7.756 6.389 1.00 0.00 C ATOM 1182 CG GLU A 85 0.252 6.317 6.216 1.00 0.00 C ATOM 1183 CD GLU A 85 1.054 5.813 7.400 1.00 0.00 C ATOM 1184 OE1 GLU A 85 2.139 6.372 7.664 1.00 0.00 O ATOM 1185 OE2 GLU A 85 0.595 4.859 8.063 1.00 0.00 O ATOM 0 H GLU A 85 -1.656 10.097 6.001 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.316 8.102 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.661 8.377 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.879 7.814 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.620 5.678 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.856 6.237 5.312 1.00 0.00 H new ATOM 1192 N SER A 86 -2.348 6.640 4.177 1.00 0.00 N ATOM 1193 CA SER A 86 -3.602 5.936 3.935 1.00 0.00 C ATOM 1194 C SER A 86 -3.797 4.809 4.944 1.00 0.00 C ATOM 1195 O SER A 86 -2.996 4.639 5.863 1.00 0.00 O ATOM 1196 CB SER A 86 -3.628 5.373 2.513 1.00 0.00 C ATOM 1197 OG SER A 86 -2.628 4.384 2.337 1.00 0.00 O ATOM 0 H SER A 86 -1.548 6.264 3.668 1.00 0.00 H new ATOM 0 HA SER A 86 -4.418 6.649 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.608 4.944 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.476 6.180 1.796 1.00 0.00 H new ATOM 0 HG SER A 86 -1.857 4.777 1.878 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.867 4.042 4.766 1.00 0.00 N ATOM 1204 CA ARG A 87 -5.169 2.931 5.661 1.00 0.00 C ATOM 1205 C ARG A 87 -4.010 1.941 5.709 1.00 0.00 C ATOM 1206 O ARG A 87 -3.103 1.990 4.878 1.00 0.00 O ATOM 1207 CB ARG A 87 -6.445 2.218 5.211 1.00 0.00 C ATOM 1208 CG ARG A 87 -7.721 2.882 5.703 1.00 0.00 C ATOM 1209 CD ARG A 87 -8.957 2.137 5.224 1.00 0.00 C ATOM 1210 NE ARG A 87 -9.190 0.914 5.988 1.00 0.00 N ATOM 1211 CZ ARG A 87 -10.310 0.205 5.916 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -11.296 0.595 5.119 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -10.447 -0.898 6.641 1.00 0.00 N ATOM 0 H ARG A 87 -5.540 4.169 4.010 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.321 3.335 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.463 2.178 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.421 1.188 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.717 2.919 6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.756 3.912 5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.827 2.788 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.844 1.889 4.169 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.452 0.587 6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.195 1.442 4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.155 0.048 5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.691 -1.202 7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.308 -1.442 6.585 1.00 0.00 H new ATOM 1227 N ALA A 88 -4.045 1.043 6.688 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.999 0.040 6.843 1.00 0.00 C ATOM 1229 C ALA A 88 -3.385 -1.267 6.158 1.00 0.00 C ATOM 1230 O ALA A 88 -4.443 -1.833 6.431 1.00 0.00 O ATOM 1231 CB ALA A 88 -2.712 -0.199 8.318 1.00 0.00 C ATOM 0 H ALA A 88 -4.787 0.990 7.386 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.095 0.417 6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.929 -0.950 8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.384 0.732 8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.618 -0.550 8.813 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.520 -1.740 5.267 1.00 0.00 N ATOM 1238 CA VAL A 89 -2.770 -2.981 4.543 1.00 0.00 C ATOM 1239 C VAL A 89 -2.015 -4.146 5.173 1.00 0.00 C ATOM 1240 O VAL A 89 -0.790 -4.225 5.087 1.00 0.00 O ATOM 1241 CB VAL A 89 -2.361 -2.859 3.063 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -2.612 -4.169 2.331 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.109 -1.715 2.397 1.00 0.00 C ATOM 0 H VAL A 89 -1.640 -1.283 5.029 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.842 -3.172 4.602 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.294 -2.642 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.317 -4.065 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.027 -4.963 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.671 -4.419 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.808 -1.643 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.182 -1.900 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.874 -0.781 2.907 1.00 0.00 H new ATOM 1253 N SER A 90 -2.756 -5.050 5.807 1.00 0.00 N ATOM 1254 CA SER A 90 -2.157 -6.211 6.455 1.00 0.00 C ATOM 1255 C SER A 90 -2.028 -7.374 5.475 1.00 0.00 C ATOM 1256 O SER A 90 -3.007 -8.059 5.176 1.00 0.00 O ATOM 1257 CB SER A 90 -2.995 -6.637 7.662 1.00 0.00 C ATOM 1258 OG SER A 90 -4.273 -7.099 7.259 1.00 0.00 O ATOM 0 H SER A 90 -3.772 -5.001 5.886 1.00 0.00 H new ATOM 0 HA SER A 90 -1.159 -5.932 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.476 -7.424 8.209 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.108 -5.795 8.345 1.00 0.00 H new ATOM 0 HG SER A 90 -4.234 -7.398 6.327 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.815 -7.590 4.980 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.557 -8.669 4.035 1.00 0.00 C ATOM 1266 C ILE A 91 -0.300 -9.986 4.762 1.00 0.00 C ATOM 1267 O ILE A 91 0.556 -10.063 5.643 1.00 0.00 O ATOM 1268 CB ILE A 91 0.649 -8.351 3.131 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.382 -7.084 2.316 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.947 -9.526 2.212 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -0.951 -7.095 1.601 1.00 0.00 C ATOM 0 H ILE A 91 0.005 -7.032 5.218 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.449 -8.766 3.416 1.00 0.00 H new ATOM 0 HB ILE A 91 1.521 -8.178 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.422 -6.220 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.178 -6.960 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.802 -9.286 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.175 -10.408 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.078 -9.728 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.073 -6.166 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.987 -7.939 0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.755 -7.188 2.331 1.00 0.00 H new ATOM 1283 N SER A 92 -1.045 -11.019 4.383 1.00 0.00 N ATOM 1284 CA SER A 92 -0.899 -12.333 5.000 1.00 0.00 C ATOM 1285 C SER A 92 -0.927 -13.434 3.945 1.00 0.00 C ATOM 1286 O SER A 92 -1.380 -13.219 2.820 1.00 0.00 O ATOM 1287 CB SER A 92 -2.011 -12.564 6.025 1.00 0.00 C ATOM 1288 OG SER A 92 -1.920 -11.639 7.094 1.00 0.00 O ATOM 0 H SER A 92 -1.755 -10.972 3.652 1.00 0.00 H new ATOM 0 HA SER A 92 0.065 -12.365 5.507 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.982 -12.469 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.946 -13.580 6.413 1.00 0.00 H new ATOM 0 HG SER A 92 -2.643 -11.807 7.734 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.441 -14.613 4.317 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.411 -15.749 3.403 1.00 0.00 C ATOM 1296 C ILE A 93 -1.672 -16.596 3.538 1.00 0.00 C ATOM 1297 O ILE A 93 -2.084 -16.942 4.646 1.00 0.00 O ATOM 1298 CB ILE A 93 0.821 -16.639 3.652 1.00 0.00 C ATOM 1299 CG1 ILE A 93 2.095 -15.793 3.665 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.912 -17.727 2.592 1.00 0.00 C ATOM 1301 CD1 ILE A 93 3.323 -16.556 4.110 1.00 0.00 C ATOM 0 H ILE A 93 -0.063 -14.807 5.244 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.356 -15.341 2.394 1.00 0.00 H new ATOM 0 HB ILE A 93 0.715 -17.116 4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.267 -15.395 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.948 -14.940 4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.788 -18.348 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.015 -18.345 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.999 -17.269 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.188 -15.893 4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.171 -16.931 5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.496 -17.394 3.434 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.279 -16.928 2.404 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.491 -17.737 2.395 1.00 0.00 C ATOM 1315 C ILE A 94 -3.159 -19.225 2.368 1.00 0.00 C ATOM 1316 O ILE A 94 -2.196 -19.644 1.727 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.384 -17.400 1.186 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -4.725 -15.908 1.176 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.653 -18.239 1.215 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.533 -15.481 -0.030 1.00 0.00 C ATOM 0 H ILE A 94 -1.951 -16.649 1.479 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.032 -17.504 3.312 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.837 -17.634 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.282 -15.665 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.800 -15.332 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.274 -17.990 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.391 -19.296 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.205 -18.033 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.738 -14.412 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.970 -15.693 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.474 -16.030 -0.050 1.00 0.00 H new ATOM 1332 N GLU A 95 -3.964 -20.018 3.068 1.00 0.00 N ATOM 1333 CA GLU A 95 -3.755 -21.460 3.123 1.00 0.00 C ATOM 1334 C GLU A 95 -4.392 -22.149 1.919 1.00 0.00 C ATOM 1335 O GLU A 95 -5.456 -21.758 1.440 1.00 0.00 O ATOM 1336 CB GLU A 95 -4.336 -22.033 4.418 1.00 0.00 C ATOM 1337 CG GLU A 95 -5.852 -21.964 4.488 1.00 0.00 C ATOM 1338 CD GLU A 95 -6.357 -20.583 4.860 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -5.664 -19.886 5.630 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -7.445 -20.200 4.382 1.00 0.00 O ATOM 0 H GLU A 95 -4.766 -19.687 3.604 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.681 -21.646 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.023 -23.072 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.917 -21.491 5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.270 -22.252 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.211 -22.687 5.220 1.00 0.00 H new ATOM 1347 N PRO A 96 -3.725 -23.199 1.418 1.00 0.00 N ATOM 1348 CA PRO A 96 -4.206 -23.964 0.264 1.00 0.00 C ATOM 1349 C PRO A 96 -5.449 -24.785 0.590 1.00 0.00 C ATOM 1350 O PRO A 96 -5.496 -25.482 1.604 1.00 0.00 O ATOM 1351 CB PRO A 96 -3.028 -24.885 -0.066 1.00 0.00 C ATOM 1352 CG PRO A 96 -2.289 -25.030 1.219 1.00 0.00 C ATOM 1353 CD PRO A 96 -2.450 -23.720 1.939 1.00 0.00 C ATOM 0 HA PRO A 96 -4.502 -23.316 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.372 -25.851 -0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.394 -24.454 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.692 -25.852 1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.237 -25.251 1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.484 -23.857 3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.623 -23.042 1.729 1.00 0.00 H new TER 1361 PRO A 96