USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 853 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 48 ASN : amide:sc= -2.29 K(o=-7.5,f=-14!) USER MOD Set 1.2: A 79 GLN : amide:sc= -5.21! C(o=-7.5!,f=-8.5!) USER MOD Set 2.1: A 30 SER OG : rot -170:sc= -0.0466 USER MOD Set 2.2: A 33 ASN : amide:sc= -2.64! C(o=-2.7!,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00483 (180deg=-0.156) USER MOD Single : A 5 ASN : amide:sc= -0.307 K(o=-0.31,f=-2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 78:sc= -0.187 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 173:sc= -2.94 (180deg=-3.09!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= -0.0246 (180deg=-0.2) USER MOD Single : A 66 SER OG : rot -97:sc= -0.868 USER MOD Single : A 71 SER OG : rot -6:sc= 0.3 USER MOD Single : A 76 SER OG : rot 73:sc= 0.492 USER MOD Single : A 89 MET CE :methyl -145:sc= -5.17! (180deg=-5.8!) USER MOD Single : A 91 LYS NZ :NH3+ -110:sc= -0.385 (180deg=-0.905) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 69:sc= 0.267 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 107 TYR OH : rot -130:sc= -1.2 USER MOD Single : A 110 THR OG1 : rot -42:sc= 0.649 USER MOD Single : A 111 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.971 13.701 11.641 1.00 0.00 N ATOM 2 CA MET A 1 -18.140 13.602 10.169 1.00 0.00 C ATOM 3 C MET A 1 -17.401 14.731 9.458 1.00 0.00 C ATOM 4 O MET A 1 -17.349 15.859 9.949 1.00 0.00 O ATOM 5 CB MET A 1 -19.626 13.648 9.806 1.00 0.00 C ATOM 6 CG MET A 1 -20.432 12.504 10.400 1.00 0.00 C ATOM 7 SD MET A 1 -22.156 12.520 9.873 1.00 0.00 S ATOM 8 CE MET A 1 -22.777 11.062 10.705 1.00 0.00 C ATOM 0 H1 MET A 1 -18.319 12.830 12.090 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.964 13.828 11.867 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.511 14.515 11.999 1.00 0.00 H new ATOM 0 HA MET A 1 -17.717 12.652 9.842 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.046 14.594 10.148 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.727 13.628 8.721 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.977 11.556 10.112 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.388 12.561 11.488 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.835 10.936 10.477 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.225 10.186 10.364 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.649 11.175 11.782 1.00 0.00 H new ATOM 18 N ALA A 2 -16.829 14.415 8.297 1.00 0.00 N ATOM 19 CA ALA A 2 -16.093 15.397 7.508 1.00 0.00 C ATOM 20 C ALA A 2 -14.938 15.999 8.303 1.00 0.00 C ATOM 21 O ALA A 2 -14.452 17.084 7.985 1.00 0.00 O ATOM 22 CB ALA A 2 -17.030 16.493 7.020 1.00 0.00 C ATOM 0 H ALA A 2 -16.862 13.484 7.883 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.670 14.883 6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.467 17.218 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.812 16.054 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.483 16.993 7.876 1.00 0.00 H new ATOM 28 N ASP A 3 -14.498 15.284 9.334 1.00 0.00 N ATOM 29 CA ASP A 3 -13.399 15.749 10.173 1.00 0.00 C ATOM 30 C ASP A 3 -12.647 14.572 10.785 1.00 0.00 C ATOM 31 O ASP A 3 -13.258 13.611 11.253 1.00 0.00 O ATOM 32 CB ASP A 3 -13.925 16.667 11.279 1.00 0.00 C ATOM 33 CG ASP A 3 -12.855 17.028 12.291 1.00 0.00 C ATOM 34 OD1 ASP A 3 -12.034 17.920 11.994 1.00 0.00 O ATOM 35 OD2 ASP A 3 -12.837 16.414 13.378 1.00 0.00 O ATOM 0 H ASP A 3 -14.885 14.381 9.608 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.708 16.311 9.545 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.321 17.579 10.832 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.754 16.177 11.790 1.00 0.00 H new ATOM 40 N GLU A 4 -11.318 14.654 10.770 1.00 0.00 N ATOM 41 CA GLU A 4 -10.473 13.598 11.319 1.00 0.00 C ATOM 42 C GLU A 4 -10.732 12.269 10.614 1.00 0.00 C ATOM 43 O GLU A 4 -10.313 11.212 11.086 1.00 0.00 O ATOM 44 CB GLU A 4 -10.710 13.452 12.824 1.00 0.00 C ATOM 45 CG GLU A 4 -10.247 14.655 13.630 1.00 0.00 C ATOM 46 CD GLU A 4 -10.517 14.502 15.115 1.00 0.00 C ATOM 47 OE1 GLU A 4 -9.650 13.946 15.821 1.00 0.00 O ATOM 48 OE2 GLU A 4 -11.595 14.938 15.570 1.00 0.00 O ATOM 0 H GLU A 4 -10.803 15.444 10.382 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.433 13.877 11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.773 13.292 13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.190 12.563 13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.179 14.804 13.472 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.751 15.549 13.263 1.00 0.00 H new ATOM 55 N ASN A 5 -11.419 12.335 9.478 1.00 0.00 N ATOM 56 CA ASN A 5 -11.737 11.143 8.701 1.00 0.00 C ATOM 57 C ASN A 5 -11.650 11.430 7.207 1.00 0.00 C ATOM 58 O ASN A 5 -11.070 10.650 6.451 1.00 0.00 O ATOM 59 CB ASN A 5 -13.138 10.635 9.048 1.00 0.00 C ATOM 60 CG ASN A 5 -13.203 9.991 10.420 1.00 0.00 C ATOM 61 OD1 ASN A 5 -12.228 9.408 10.893 1.00 0.00 O ATOM 62 ND2 ASN A 5 -14.358 10.091 11.066 1.00 0.00 N ATOM 0 H ASN A 5 -11.767 13.205 9.074 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.006 10.374 8.953 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -13.842 11.466 9.007 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -13.455 9.912 8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.462 9.675 11.992 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -15.141 10.583 10.637 1.00 0.00 H new ATOM 69 N LYS A 6 -12.227 12.559 6.793 1.00 0.00 N ATOM 70 CA LYS A 6 -12.230 12.962 5.388 1.00 0.00 C ATOM 71 C LYS A 6 -13.000 11.956 4.537 1.00 0.00 C ATOM 72 O LYS A 6 -14.155 12.189 4.179 1.00 0.00 O ATOM 73 CB LYS A 6 -10.800 13.119 4.863 1.00 0.00 C ATOM 74 CG LYS A 6 -9.980 14.145 5.632 1.00 0.00 C ATOM 75 CD LYS A 6 -8.629 14.393 4.978 1.00 0.00 C ATOM 76 CE LYS A 6 -7.745 13.155 5.020 1.00 0.00 C ATOM 77 NZ LYS A 6 -6.392 13.420 4.459 1.00 0.00 N ATOM 0 H LYS A 6 -12.701 13.213 7.416 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.730 13.928 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.296 12.154 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.837 13.408 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.533 15.082 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.831 13.799 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.777 14.699 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.126 15.216 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.650 12.811 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.220 12.351 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.821 12.552 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.480 13.723 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.928 14.170 5.011 1.00 0.00 H new ATOM 91 N TRP A 7 -12.356 10.838 4.214 1.00 0.00 N ATOM 92 CA TRP A 7 -12.989 9.798 3.413 1.00 0.00 C ATOM 93 C TRP A 7 -12.739 8.418 4.020 1.00 0.00 C ATOM 94 O TRP A 7 -11.600 7.959 4.111 1.00 0.00 O ATOM 95 CB TRP A 7 -12.485 9.852 1.964 1.00 0.00 C ATOM 96 CG TRP A 7 -11.030 9.523 1.804 1.00 0.00 C ATOM 97 CD1 TRP A 7 -9.976 10.097 2.458 1.00 0.00 C ATOM 98 CD2 TRP A 7 -10.467 8.542 0.924 1.00 0.00 C ATOM 99 NE1 TRP A 7 -8.795 9.530 2.041 1.00 0.00 N ATOM 100 CE2 TRP A 7 -9.071 8.574 1.099 1.00 0.00 C ATOM 101 CE3 TRP A 7 -11.011 7.638 0.006 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -8.213 7.736 0.389 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -10.159 6.809 -0.699 1.00 0.00 C ATOM 104 CH2 TRP A 7 -8.773 6.863 -0.504 1.00 0.00 C ATOM 0 H TRP A 7 -11.398 10.630 4.495 1.00 0.00 H new ATOM 0 HA TRP A 7 -14.064 9.977 3.410 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -13.071 9.158 1.362 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -12.666 10.850 1.566 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.059 10.882 3.195 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -7.865 9.780 2.378 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -12.079 7.589 -0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -7.144 7.774 0.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.568 6.108 -1.412 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -8.133 6.202 -1.070 1.00 0.00 H new ATOM 115 N VAL A 8 -13.814 7.765 4.451 1.00 0.00 N ATOM 116 CA VAL A 8 -13.715 6.441 5.049 1.00 0.00 C ATOM 117 C VAL A 8 -14.769 5.494 4.478 1.00 0.00 C ATOM 118 O VAL A 8 -14.525 4.295 4.342 1.00 0.00 O ATOM 119 CB VAL A 8 -13.866 6.503 6.581 1.00 0.00 C ATOM 120 CG1 VAL A 8 -12.701 7.257 7.203 1.00 0.00 C ATOM 121 CG2 VAL A 8 -15.190 7.147 6.965 1.00 0.00 C ATOM 0 H VAL A 8 -14.764 8.133 4.396 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.723 6.059 4.806 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.859 5.484 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.825 7.290 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.768 6.749 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.674 8.273 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.277 7.181 8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.231 8.160 6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.012 6.562 6.554 1.00 0.00 H new ATOM 131 N ARG A 9 -15.939 6.036 4.142 1.00 0.00 N ATOM 132 CA ARG A 9 -17.019 5.227 3.581 1.00 0.00 C ATOM 133 C ARG A 9 -18.091 6.090 2.935 1.00 0.00 C ATOM 134 O ARG A 9 -19.066 5.573 2.391 1.00 0.00 O ATOM 135 CB ARG A 9 -17.638 4.330 4.660 1.00 0.00 C ATOM 136 CG ARG A 9 -18.219 5.096 5.840 1.00 0.00 C ATOM 137 CD ARG A 9 -19.686 5.437 5.624 1.00 0.00 C ATOM 138 NE ARG A 9 -20.505 4.239 5.455 1.00 0.00 N ATOM 139 CZ ARG A 9 -21.833 4.256 5.377 1.00 0.00 C ATOM 140 NH1 ARG A 9 -22.490 5.406 5.429 1.00 0.00 N ATOM 141 NH2 ARG A 9 -22.504 3.120 5.241 1.00 0.00 N ATOM 0 H ARG A 9 -16.162 7.026 4.248 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.585 4.598 2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.425 3.726 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.877 3.641 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -18.114 4.501 6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.651 6.014 5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -20.054 6.011 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -19.785 6.072 4.743 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.031 3.338 5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -21.977 6.282 5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.508 5.415 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -22.002 2.233 5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -23.522 3.133 5.181 1.00 0.00 H new ATOM 155 N ARG A 10 -17.914 7.401 2.998 1.00 0.00 N ATOM 156 CA ARG A 10 -18.869 8.312 2.389 1.00 0.00 C ATOM 157 C ARG A 10 -18.904 8.084 0.882 1.00 0.00 C ATOM 158 O ARG A 10 -17.947 8.408 0.180 1.00 0.00 O ATOM 159 CB ARG A 10 -18.498 9.765 2.702 1.00 0.00 C ATOM 160 CG ARG A 10 -19.422 10.780 2.053 1.00 0.00 C ATOM 161 CD ARG A 10 -19.180 12.182 2.594 1.00 0.00 C ATOM 162 NE ARG A 10 -17.791 12.602 2.433 1.00 0.00 N ATOM 163 CZ ARG A 10 -17.337 13.802 2.786 1.00 0.00 C ATOM 164 NH1 ARG A 10 -18.158 14.695 3.324 1.00 0.00 N ATOM 165 NH2 ARG A 10 -16.060 14.110 2.601 1.00 0.00 N ATOM 0 H ARG A 10 -17.126 7.854 3.460 1.00 0.00 H new ATOM 0 HA ARG A 10 -19.859 8.117 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.513 9.911 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.477 9.951 2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -19.270 10.774 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -20.459 10.495 2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.833 12.886 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.447 12.213 3.650 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.131 11.938 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.141 14.463 3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.806 15.614 3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.425 13.427 2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.713 15.030 2.872 1.00 0.00 H new ATOM 179 N ASP A 11 -20.004 7.499 0.400 1.00 0.00 N ATOM 180 CA ASP A 11 -20.173 7.215 -1.025 1.00 0.00 C ATOM 181 C ASP A 11 -19.248 6.090 -1.484 1.00 0.00 C ATOM 182 O ASP A 11 -19.093 5.853 -2.682 1.00 0.00 O ATOM 183 CB ASP A 11 -19.903 8.467 -1.855 1.00 0.00 C ATOM 184 CG ASP A 11 -20.947 9.545 -1.642 1.00 0.00 C ATOM 185 OD1 ASP A 11 -20.817 10.315 -0.668 1.00 0.00 O ATOM 186 OD2 ASP A 11 -21.896 9.621 -2.452 1.00 0.00 O ATOM 0 H ASP A 11 -20.793 7.212 0.980 1.00 0.00 H new ATOM 0 HA ASP A 11 -21.205 6.896 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -18.920 8.863 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -19.874 8.199 -2.911 1.00 0.00 H new ATOM 191 N VAL A 12 -18.638 5.398 -0.528 1.00 0.00 N ATOM 192 CA VAL A 12 -17.727 4.303 -0.841 1.00 0.00 C ATOM 193 C VAL A 12 -18.477 2.984 -1.017 1.00 0.00 C ATOM 194 O VAL A 12 -18.521 2.432 -2.116 1.00 0.00 O ATOM 195 CB VAL A 12 -16.653 4.139 0.254 1.00 0.00 C ATOM 196 CG1 VAL A 12 -15.868 2.852 0.061 1.00 0.00 C ATOM 197 CG2 VAL A 12 -15.721 5.340 0.265 1.00 0.00 C ATOM 0 H VAL A 12 -18.758 5.576 0.469 1.00 0.00 H new ATOM 0 HA VAL A 12 -17.239 4.558 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 12 -17.157 4.081 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.118 2.762 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.547 2.001 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.375 2.869 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.969 5.210 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.230 5.428 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.296 6.245 0.464 1.00 0.00 H new ATOM 207 N SER A 13 -19.051 2.485 0.080 1.00 0.00 N ATOM 208 CA SER A 13 -19.804 1.228 0.074 1.00 0.00 C ATOM 209 C SER A 13 -18.877 0.014 -0.044 1.00 0.00 C ATOM 210 O SER A 13 -19.213 -1.074 0.422 1.00 0.00 O ATOM 211 CB SER A 13 -20.841 1.213 -1.055 1.00 0.00 C ATOM 212 OG SER A 13 -21.613 0.025 -1.021 1.00 0.00 O ATOM 0 H SER A 13 -19.008 2.938 0.993 1.00 0.00 H new ATOM 0 HA SER A 13 -20.326 1.162 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 13 -21.496 2.079 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 13 -20.337 1.296 -2.018 1.00 0.00 H new ATOM 0 HG SER A 13 -22.268 0.040 -1.750 1.00 0.00 H new ATOM 218 N THR A 14 -17.715 0.202 -0.666 1.00 0.00 N ATOM 219 CA THR A 14 -16.750 -0.882 -0.830 1.00 0.00 C ATOM 220 C THR A 14 -15.932 -1.076 0.442 1.00 0.00 C ATOM 221 O THR A 14 -15.533 -0.105 1.087 1.00 0.00 O ATOM 222 CB THR A 14 -15.796 -0.619 -2.007 1.00 0.00 C ATOM 223 OG1 THR A 14 -15.062 0.590 -1.787 1.00 0.00 O ATOM 224 CG2 THR A 14 -16.560 -0.517 -3.317 1.00 0.00 C ATOM 0 H THR A 14 -17.419 1.093 -1.064 1.00 0.00 H new ATOM 0 HA THR A 14 -17.321 -1.787 -1.038 1.00 0.00 H new ATOM 0 HB THR A 14 -15.104 -1.459 -2.072 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.339 0.422 -1.147 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.861 -0.331 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.092 -1.450 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.275 0.303 -3.258 1.00 0.00 H new ATOM 232 N ALA A 15 -15.683 -2.333 0.800 1.00 0.00 N ATOM 233 CA ALA A 15 -14.926 -2.646 2.007 1.00 0.00 C ATOM 234 C ALA A 15 -13.442 -2.887 1.724 1.00 0.00 C ATOM 235 O ALA A 15 -12.591 -2.105 2.139 1.00 0.00 O ATOM 236 CB ALA A 15 -15.531 -3.856 2.702 1.00 0.00 C ATOM 0 H ALA A 15 -15.994 -3.149 0.273 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.989 -1.776 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.959 -4.082 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.565 -3.641 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.503 -4.713 2.030 1.00 0.00 H new ATOM 242 N LEU A 16 -13.134 -3.975 1.027 1.00 0.00 N ATOM 243 CA LEU A 16 -11.744 -4.316 0.724 1.00 0.00 C ATOM 244 C LEU A 16 -11.237 -3.632 -0.546 1.00 0.00 C ATOM 245 O LEU A 16 -10.028 -3.489 -0.735 1.00 0.00 O ATOM 246 CB LEU A 16 -11.585 -5.836 0.598 1.00 0.00 C ATOM 247 CG LEU A 16 -12.033 -6.439 -0.739 1.00 0.00 C ATOM 248 CD1 LEU A 16 -11.686 -7.919 -0.796 1.00 0.00 C ATOM 249 CD2 LEU A 16 -13.527 -6.238 -0.950 1.00 0.00 C ATOM 0 H LEU A 16 -13.822 -4.634 0.662 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.139 -3.951 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.537 -6.088 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.152 -6.311 1.399 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.502 -5.924 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.010 -8.332 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.608 -8.044 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.191 -8.443 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.822 -6.674 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.077 -6.724 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.754 -5.172 -0.952 1.00 0.00 H new ATOM 261 N SER A 17 -12.153 -3.210 -1.410 1.00 0.00 N ATOM 262 CA SER A 17 -11.770 -2.568 -2.666 1.00 0.00 C ATOM 263 C SER A 17 -11.056 -1.236 -2.435 1.00 0.00 C ATOM 264 O SER A 17 -9.955 -1.025 -2.944 1.00 0.00 O ATOM 265 CB SER A 17 -13.004 -2.347 -3.543 1.00 0.00 C ATOM 266 OG SER A 17 -12.643 -1.850 -4.820 1.00 0.00 O ATOM 0 H SER A 17 -13.159 -3.299 -1.268 1.00 0.00 H new ATOM 0 HA SER A 17 -11.073 -3.236 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.546 -3.286 -3.655 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.680 -1.645 -3.054 1.00 0.00 H new ATOM 0 HG SER A 17 -13.450 -1.719 -5.360 1.00 0.00 H new ATOM 272 N ARG A 18 -11.680 -0.350 -1.655 1.00 0.00 N ATOM 273 CA ARG A 18 -11.106 0.968 -1.364 1.00 0.00 C ATOM 274 C ARG A 18 -12.082 1.815 -0.552 1.00 0.00 C ATOM 275 O ARG A 18 -13.118 2.238 -1.062 1.00 0.00 O ATOM 276 CB ARG A 18 -10.755 1.701 -2.664 1.00 0.00 C ATOM 277 CG ARG A 18 -10.156 3.081 -2.446 1.00 0.00 C ATOM 278 CD ARG A 18 -9.894 3.786 -3.768 1.00 0.00 C ATOM 279 NE ARG A 18 -11.121 3.977 -4.537 1.00 0.00 N ATOM 280 CZ ARG A 18 -11.165 3.998 -5.866 1.00 0.00 C ATOM 281 NH1 ARG A 18 -10.056 3.832 -6.574 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.322 4.181 -6.488 1.00 0.00 N ATOM 0 H ARG A 18 -12.583 -0.521 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.197 0.816 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.050 1.095 -3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.655 1.797 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.833 3.682 -1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.224 2.991 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.431 4.754 -3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.184 3.203 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.994 4.101 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.165 3.687 -6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.094 3.849 -7.593 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.178 4.306 -5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.356 4.197 -7.507 1.00 0.00 H new ATOM 296 N MET A 19 -11.743 2.067 0.710 1.00 0.00 N ATOM 297 CA MET A 19 -12.605 2.861 1.585 1.00 0.00 C ATOM 298 C MET A 19 -11.817 3.919 2.351 1.00 0.00 C ATOM 299 O MET A 19 -12.294 5.037 2.544 1.00 0.00 O ATOM 300 CB MET A 19 -13.340 1.949 2.567 1.00 0.00 C ATOM 301 CG MET A 19 -12.620 0.638 2.828 1.00 0.00 C ATOM 302 SD MET A 19 -11.055 0.856 3.696 1.00 0.00 S ATOM 303 CE MET A 19 -10.164 -0.601 3.160 1.00 0.00 C ATOM 0 H MET A 19 -10.884 1.736 1.148 1.00 0.00 H new ATOM 0 HA MET A 19 -13.328 3.377 0.953 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.472 2.476 3.512 1.00 0.00 H new ATOM 0 HB3 MET A 19 -14.336 1.737 2.178 1.00 0.00 H new ATOM 0 HG2 MET A 19 -13.267 -0.015 3.414 1.00 0.00 H new ATOM 0 HG3 MET A 19 -12.436 0.135 1.878 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.134 -0.548 3.512 1.00 0.00 H new ATOM 0 HE2 MET A 19 -10.642 -1.491 3.570 1.00 0.00 H new ATOM 0 HE3 MET A 19 -10.173 -0.653 2.071 1.00 0.00 H new ATOM 313 N GLY A 20 -10.612 3.565 2.786 1.00 0.00 N ATOM 314 CA GLY A 20 -9.800 4.502 3.535 1.00 0.00 C ATOM 315 C GLY A 20 -8.828 3.823 4.476 1.00 0.00 C ATOM 316 O GLY A 20 -7.793 3.312 4.052 1.00 0.00 O ATOM 0 H GLY A 20 -10.186 2.651 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.244 5.130 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.452 5.161 4.108 1.00 0.00 H new ATOM 320 N ASP A 21 -9.169 3.818 5.762 1.00 0.00 N ATOM 321 CA ASP A 21 -8.316 3.212 6.775 1.00 0.00 C ATOM 322 C ASP A 21 -9.136 2.409 7.781 1.00 0.00 C ATOM 323 O ASP A 21 -8.618 1.501 8.431 1.00 0.00 O ATOM 324 CB ASP A 21 -7.524 4.300 7.499 1.00 0.00 C ATOM 325 CG ASP A 21 -8.393 5.130 8.423 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.036 6.084 7.936 1.00 0.00 O ATOM 327 OD2 ASP A 21 -8.430 4.829 9.634 1.00 0.00 O ATOM 0 H ASP A 21 -10.030 4.227 6.125 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.629 2.528 6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.722 3.839 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.053 4.953 6.764 1.00 0.00 H new ATOM 332 N GLU A 22 -10.416 2.749 7.906 1.00 0.00 N ATOM 333 CA GLU A 22 -11.301 2.062 8.841 1.00 0.00 C ATOM 334 C GLU A 22 -11.423 0.579 8.501 1.00 0.00 C ATOM 335 O GLU A 22 -11.401 -0.272 9.391 1.00 0.00 O ATOM 336 CB GLU A 22 -12.687 2.712 8.851 1.00 0.00 C ATOM 337 CG GLU A 22 -13.364 2.749 7.489 1.00 0.00 C ATOM 338 CD GLU A 22 -14.823 3.149 7.578 1.00 0.00 C ATOM 339 OE1 GLU A 22 -15.122 4.172 8.231 1.00 0.00 O ATOM 340 OE2 GLU A 22 -15.671 2.441 6.993 1.00 0.00 O ATOM 0 H GLU A 22 -10.863 3.495 7.372 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.862 2.150 9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.326 2.170 9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.596 3.731 9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.837 3.451 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.287 1.767 7.022 1.00 0.00 H new ATOM 347 N ALA A 23 -11.548 0.273 7.214 1.00 0.00 N ATOM 348 CA ALA A 23 -11.675 -1.108 6.770 1.00 0.00 C ATOM 349 C ALA A 23 -10.369 -1.623 6.174 1.00 0.00 C ATOM 350 O ALA A 23 -10.359 -2.626 5.459 1.00 0.00 O ATOM 351 CB ALA A 23 -12.810 -1.240 5.764 1.00 0.00 C ATOM 0 H ALA A 23 -11.564 0.962 6.462 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.906 -1.720 7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.892 -2.278 5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.746 -0.929 6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.606 -0.607 4.900 1.00 0.00 H new ATOM 357 N PHE A 24 -9.271 -0.926 6.449 1.00 0.00 N ATOM 358 CA PHE A 24 -7.969 -1.342 5.960 1.00 0.00 C ATOM 359 C PHE A 24 -7.588 -2.695 6.553 1.00 0.00 C ATOM 360 O PHE A 24 -7.146 -3.591 5.842 1.00 0.00 O ATOM 361 CB PHE A 24 -6.910 -0.299 6.322 1.00 0.00 C ATOM 362 CG PHE A 24 -5.654 -0.402 5.502 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.950 -1.592 5.428 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.179 0.694 4.804 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.802 -1.688 4.676 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.029 0.602 4.052 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.339 -0.590 3.986 1.00 0.00 C ATOM 0 H PHE A 24 -9.261 -0.072 7.007 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.020 -1.434 4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.335 0.697 6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.655 -0.405 7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.307 -2.457 5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.715 1.630 4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.265 -2.623 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.667 1.465 3.513 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.438 -0.662 3.395 1.00 0.00 H new ATOM 377 N GLU A 25 -7.767 -2.825 7.863 1.00 0.00 N ATOM 378 CA GLU A 25 -7.426 -4.054 8.578 1.00 0.00 C ATOM 379 C GLU A 25 -7.864 -5.320 7.839 1.00 0.00 C ATOM 380 O GLU A 25 -7.043 -6.206 7.629 1.00 0.00 O ATOM 381 CB GLU A 25 -8.028 -4.044 9.972 1.00 0.00 C ATOM 382 CG GLU A 25 -7.271 -3.179 10.966 1.00 0.00 C ATOM 383 CD GLU A 25 -7.869 -3.235 12.358 1.00 0.00 C ATOM 384 OE1 GLU A 25 -7.458 -4.114 13.146 1.00 0.00 O ATOM 385 OE2 GLU A 25 -8.749 -2.403 12.660 1.00 0.00 O ATOM 0 H GLU A 25 -8.149 -2.089 8.457 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.338 -4.077 8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.058 -3.691 9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.063 -5.066 10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.231 -3.504 11.007 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.269 -2.147 10.616 1.00 0.00 H new ATOM 392 N PRO A 26 -9.162 -5.450 7.462 1.00 0.00 N ATOM 393 CA PRO A 26 -9.658 -6.623 6.737 1.00 0.00 C ATOM 394 C PRO A 26 -8.629 -7.161 5.748 1.00 0.00 C ATOM 395 O PRO A 26 -8.572 -8.360 5.472 1.00 0.00 O ATOM 396 CB PRO A 26 -10.873 -6.063 6.009 1.00 0.00 C ATOM 397 CG PRO A 26 -11.418 -5.027 6.935 1.00 0.00 C ATOM 398 CD PRO A 26 -10.250 -4.492 7.732 1.00 0.00 C ATOM 0 HA PRO A 26 -9.881 -7.466 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.595 -5.630 5.048 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.609 -6.842 5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.903 -4.227 6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.171 -5.457 7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.981 -3.484 7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.483 -4.442 8.796 1.00 0.00 H new ATOM 406 N LEU A 27 -7.822 -6.252 5.220 1.00 0.00 N ATOM 407 CA LEU A 27 -6.760 -6.594 4.287 1.00 0.00 C ATOM 408 C LEU A 27 -5.630 -7.312 5.018 1.00 0.00 C ATOM 409 O LEU A 27 -5.260 -8.434 4.675 1.00 0.00 O ATOM 410 CB LEU A 27 -6.224 -5.317 3.651 1.00 0.00 C ATOM 411 CG LEU A 27 -7.152 -4.652 2.631 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.647 -3.262 2.277 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.270 -5.510 1.380 1.00 0.00 C ATOM 0 H LEU A 27 -7.886 -5.255 5.427 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.157 -7.254 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.009 -4.600 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.277 -5.545 3.161 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.141 -4.555 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.319 -2.805 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.612 -2.647 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.647 -3.336 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.933 -5.022 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.285 -5.637 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.677 -6.486 1.645 1.00 0.00 H new ATOM 425 N LEU A 28 -5.088 -6.636 6.028 1.00 0.00 N ATOM 426 CA LEU A 28 -4.003 -7.176 6.841 1.00 0.00 C ATOM 427 C LEU A 28 -4.395 -8.523 7.438 1.00 0.00 C ATOM 428 O LEU A 28 -3.583 -9.446 7.503 1.00 0.00 O ATOM 429 CB LEU A 28 -3.656 -6.177 7.958 1.00 0.00 C ATOM 430 CG LEU A 28 -2.434 -6.513 8.829 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.780 -7.557 9.881 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.269 -6.987 7.970 1.00 0.00 C ATOM 0 H LEU A 28 -5.388 -5.701 6.305 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.129 -7.329 6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.491 -5.201 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.524 -6.082 8.611 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.133 -5.601 9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.897 -7.775 10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.572 -7.176 10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.119 -8.469 9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.417 -7.219 8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.563 -7.880 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.993 -6.202 7.267 1.00 0.00 H new ATOM 444 N GLU A 29 -5.648 -8.626 7.867 1.00 0.00 N ATOM 445 CA GLU A 29 -6.154 -9.850 8.471 1.00 0.00 C ATOM 446 C GLU A 29 -6.121 -11.011 7.483 1.00 0.00 C ATOM 447 O GLU A 29 -5.981 -12.168 7.879 1.00 0.00 O ATOM 448 CB GLU A 29 -7.581 -9.640 8.980 1.00 0.00 C ATOM 449 CG GLU A 29 -7.688 -8.589 10.071 1.00 0.00 C ATOM 450 CD GLU A 29 -9.098 -8.443 10.605 1.00 0.00 C ATOM 451 OE1 GLU A 29 -9.510 -9.284 11.432 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.793 -7.490 10.195 1.00 0.00 O ATOM 0 H GLU A 29 -6.333 -7.873 7.807 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.506 -10.099 9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.217 -9.350 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.966 -10.587 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.019 -8.852 10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.351 -7.629 9.680 1.00 0.00 H new ATOM 459 N SER A 30 -6.252 -10.696 6.198 1.00 0.00 N ATOM 460 CA SER A 30 -6.244 -11.717 5.154 1.00 0.00 C ATOM 461 C SER A 30 -4.895 -12.426 5.078 1.00 0.00 C ATOM 462 O SER A 30 -4.798 -13.532 4.546 1.00 0.00 O ATOM 463 CB SER A 30 -6.583 -11.095 3.798 1.00 0.00 C ATOM 464 OG SER A 30 -6.454 -12.045 2.754 1.00 0.00 O ATOM 0 H SER A 30 -6.365 -9.742 5.854 1.00 0.00 H new ATOM 0 HA SER A 30 -7.002 -12.457 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.601 -10.707 3.817 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.923 -10.249 3.607 1.00 0.00 H new ATOM 0 HG SER A 30 -6.520 -11.591 1.888 1.00 0.00 H new ATOM 470 N LEU A 31 -3.855 -11.788 5.608 1.00 0.00 N ATOM 471 CA LEU A 31 -2.517 -12.373 5.590 1.00 0.00 C ATOM 472 C LEU A 31 -2.433 -13.575 6.523 1.00 0.00 C ATOM 473 O LEU A 31 -1.463 -14.332 6.490 1.00 0.00 O ATOM 474 CB LEU A 31 -1.467 -11.332 5.988 1.00 0.00 C ATOM 475 CG LEU A 31 -1.412 -10.080 5.107 1.00 0.00 C ATOM 476 CD1 LEU A 31 -0.251 -9.191 5.521 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.294 -10.458 3.637 1.00 0.00 C ATOM 0 H LEU A 31 -3.912 -10.872 6.053 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.315 -12.708 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.658 -11.024 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.486 -11.807 5.975 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.341 -9.526 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.226 -8.306 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.377 -8.888 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.684 -9.741 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.257 -9.553 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.383 -11.037 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.158 -11.055 3.344 1.00 0.00 H new ATOM 489 N SER A 32 -3.455 -13.746 7.355 1.00 0.00 N ATOM 490 CA SER A 32 -3.495 -14.857 8.297 1.00 0.00 C ATOM 491 C SER A 32 -4.417 -15.965 7.797 1.00 0.00 C ATOM 492 O SER A 32 -4.795 -16.860 8.554 1.00 0.00 O ATOM 493 CB SER A 32 -3.959 -14.371 9.672 1.00 0.00 C ATOM 494 OG SER A 32 -3.048 -13.430 10.214 1.00 0.00 O ATOM 0 H SER A 32 -4.266 -13.129 7.396 1.00 0.00 H new ATOM 0 HA SER A 32 -2.487 -15.262 8.384 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.947 -13.918 9.587 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.055 -15.220 10.348 1.00 0.00 H new ATOM 0 HG SER A 32 -3.368 -13.133 11.092 1.00 0.00 H new ATOM 500 N ASN A 33 -4.775 -15.901 6.518 1.00 0.00 N ATOM 501 CA ASN A 33 -5.650 -16.901 5.917 1.00 0.00 C ATOM 502 C ASN A 33 -4.837 -18.003 5.249 1.00 0.00 C ATOM 503 O ASN A 33 -3.824 -17.737 4.602 1.00 0.00 O ATOM 504 CB ASN A 33 -6.586 -16.255 4.896 1.00 0.00 C ATOM 505 CG ASN A 33 -7.615 -15.347 5.542 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.040 -14.354 4.953 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.025 -15.686 6.759 1.00 0.00 N ATOM 0 H ASN A 33 -4.472 -15.167 5.878 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.248 -17.343 6.714 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.997 -15.680 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.098 -17.035 4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.719 -15.114 7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.646 -16.518 7.211 1.00 0.00 H new ATOM 514 N GLU A 34 -5.291 -19.240 5.408 1.00 0.00 N ATOM 515 CA GLU A 34 -4.610 -20.388 4.823 1.00 0.00 C ATOM 516 C GLU A 34 -4.614 -20.302 3.301 1.00 0.00 C ATOM 517 O GLU A 34 -3.829 -20.971 2.629 1.00 0.00 O ATOM 518 CB GLU A 34 -5.279 -21.689 5.272 1.00 0.00 C ATOM 519 CG GLU A 34 -5.311 -21.870 6.781 1.00 0.00 C ATOM 520 CD GLU A 34 -6.371 -21.018 7.452 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.556 -21.413 7.424 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.017 -19.956 8.007 1.00 0.00 O ATOM 0 H GLU A 34 -6.130 -19.474 5.939 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.576 -20.381 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.300 -21.713 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.752 -22.532 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.494 -22.919 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.334 -21.618 7.194 1.00 0.00 H new ATOM 529 N ASP A 35 -5.502 -19.471 2.766 1.00 0.00 N ATOM 530 CA ASP A 35 -5.613 -19.294 1.323 1.00 0.00 C ATOM 531 C ASP A 35 -4.493 -18.407 0.790 1.00 0.00 C ATOM 532 O ASP A 35 -3.926 -17.597 1.522 1.00 0.00 O ATOM 533 CB ASP A 35 -6.973 -18.690 0.965 1.00 0.00 C ATOM 534 CG ASP A 35 -8.118 -19.639 1.257 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.613 -19.638 2.402 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.518 -20.384 0.338 1.00 0.00 O ATOM 0 H ASP A 35 -6.156 -18.909 3.311 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.524 -20.275 0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.117 -17.767 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.984 -18.426 -0.092 1.00 0.00 H new ATOM 541 N TRP A 36 -4.181 -18.568 -0.492 1.00 0.00 N ATOM 542 CA TRP A 36 -3.127 -17.787 -1.131 1.00 0.00 C ATOM 543 C TRP A 36 -3.718 -16.809 -2.138 1.00 0.00 C ATOM 544 O TRP A 36 -3.265 -15.671 -2.259 1.00 0.00 O ATOM 545 CB TRP A 36 -2.133 -18.716 -1.833 1.00 0.00 C ATOM 546 CG TRP A 36 -1.718 -19.885 -0.992 1.00 0.00 C ATOM 547 CD1 TRP A 36 -1.491 -19.885 0.352 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.475 -21.223 -1.441 1.00 0.00 C ATOM 549 NE1 TRP A 36 -1.127 -21.143 0.770 1.00 0.00 N ATOM 550 CE2 TRP A 36 -1.108 -21.981 -0.312 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.534 -21.858 -2.685 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -0.802 -23.334 -0.390 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -1.230 -23.204 -2.762 1.00 0.00 C ATOM 554 CH2 TRP A 36 -0.868 -23.929 -1.619 1.00 0.00 C ATOM 0 H TRP A 36 -4.644 -19.234 -1.110 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.605 -17.221 -0.359 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.580 -19.083 -2.757 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.247 -18.145 -2.112 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.584 -19.022 0.995 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.907 -21.409 1.730 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.812 -21.306 -3.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.522 -23.896 0.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.272 -23.705 -3.718 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.636 -24.980 -1.711 1.00 0.00 H new ATOM 565 N ARG A 37 -4.733 -17.268 -2.861 1.00 0.00 N ATOM 566 CA ARG A 37 -5.403 -16.446 -3.857 1.00 0.00 C ATOM 567 C ARG A 37 -6.010 -15.199 -3.218 1.00 0.00 C ATOM 568 O ARG A 37 -6.051 -14.133 -3.833 1.00 0.00 O ATOM 569 CB ARG A 37 -6.487 -17.265 -4.562 1.00 0.00 C ATOM 570 CG ARG A 37 -7.186 -16.515 -5.680 1.00 0.00 C ATOM 571 CD ARG A 37 -8.094 -17.433 -6.484 1.00 0.00 C ATOM 572 NE ARG A 37 -8.848 -16.706 -7.502 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.552 -17.298 -8.463 1.00 0.00 C ATOM 574 NH1 ARG A 37 -9.590 -18.622 -8.544 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.220 -16.566 -9.347 1.00 0.00 N ATOM 0 H ARG A 37 -5.111 -18.212 -2.774 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.666 -16.122 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.038 -18.171 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.229 -17.579 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.773 -15.698 -5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.443 -16.068 -6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.494 -18.208 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.787 -17.937 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.834 -15.686 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.078 -19.189 -7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.131 -19.072 -9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.194 -15.548 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.759 -17.022 -10.083 1.00 0.00 H new ATOM 589 N ILE A 38 -6.479 -15.342 -1.982 1.00 0.00 N ATOM 590 CA ILE A 38 -7.081 -14.227 -1.257 1.00 0.00 C ATOM 591 C ILE A 38 -6.015 -13.350 -0.606 1.00 0.00 C ATOM 592 O ILE A 38 -6.097 -12.122 -0.647 1.00 0.00 O ATOM 593 CB ILE A 38 -8.053 -14.726 -0.169 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.080 -15.686 -0.775 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.749 -13.548 0.501 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.976 -16.345 0.253 1.00 0.00 C ATOM 0 H ILE A 38 -6.454 -16.219 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.634 -13.637 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.483 -15.264 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.699 -15.140 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.555 -16.459 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.432 -13.916 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.004 -12.899 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.310 -12.985 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.678 -17.011 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.367 -16.919 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.529 -15.580 0.798 1.00 0.00 H new ATOM 608 N ARG A 39 -5.016 -13.989 -0.003 1.00 0.00 N ATOM 609 CA ARG A 39 -3.934 -13.272 0.665 1.00 0.00 C ATOM 610 C ARG A 39 -3.203 -12.345 -0.299 1.00 0.00 C ATOM 611 O ARG A 39 -2.954 -11.180 0.013 1.00 0.00 O ATOM 612 CB ARG A 39 -2.941 -14.260 1.281 1.00 0.00 C ATOM 613 CG ARG A 39 -1.801 -13.587 2.029 1.00 0.00 C ATOM 614 CD ARG A 39 -0.748 -14.591 2.470 1.00 0.00 C ATOM 615 NE ARG A 39 -1.248 -15.499 3.498 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.588 -16.575 3.915 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.592 -16.879 3.392 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.107 -17.350 4.859 1.00 0.00 N ATOM 0 H ARG A 39 -4.934 -15.005 0.037 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.379 -12.665 1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.474 -14.920 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.527 -14.887 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.341 -12.834 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.195 -13.066 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.416 -15.169 1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.123 -14.058 2.851 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.154 -15.297 3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.996 -16.286 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.095 -17.705 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.014 -17.120 5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.599 -18.175 5.178 1.00 0.00 H new ATOM 632 N GLY A 40 -2.855 -12.870 -1.467 1.00 0.00 N ATOM 633 CA GLY A 40 -2.150 -12.077 -2.457 1.00 0.00 C ATOM 634 C GLY A 40 -2.914 -10.833 -2.861 1.00 0.00 C ATOM 635 O GLY A 40 -2.399 -9.721 -2.754 1.00 0.00 O ATOM 0 H GLY A 40 -3.048 -13.832 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.177 -11.788 -2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.964 -12.688 -3.341 1.00 0.00 H new ATOM 639 N ALA A 41 -4.146 -11.023 -3.327 1.00 0.00 N ATOM 640 CA ALA A 41 -4.990 -9.912 -3.753 1.00 0.00 C ATOM 641 C ALA A 41 -5.045 -8.822 -2.690 1.00 0.00 C ATOM 642 O ALA A 41 -5.135 -7.636 -3.008 1.00 0.00 O ATOM 643 CB ALA A 41 -6.392 -10.411 -4.075 1.00 0.00 C ATOM 0 H ALA A 41 -4.583 -11.940 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.553 -9.480 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.013 -9.573 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.341 -11.148 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.828 -10.870 -3.187 1.00 0.00 H new ATOM 649 N ALA A 42 -4.991 -9.231 -1.426 1.00 0.00 N ATOM 650 CA ALA A 42 -5.028 -8.289 -0.315 1.00 0.00 C ATOM 651 C ALA A 42 -3.832 -7.344 -0.362 1.00 0.00 C ATOM 652 O ALA A 42 -3.984 -6.131 -0.229 1.00 0.00 O ATOM 653 CB ALA A 42 -5.063 -9.036 1.010 1.00 0.00 C ATOM 0 H ALA A 42 -4.921 -10.210 -1.147 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.935 -7.692 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.090 -8.320 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.951 -9.667 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.172 -9.658 1.101 1.00 0.00 H new ATOM 659 N ALA A 43 -2.643 -7.911 -0.556 1.00 0.00 N ATOM 660 CA ALA A 43 -1.422 -7.121 -0.627 1.00 0.00 C ATOM 661 C ALA A 43 -1.298 -6.419 -1.976 1.00 0.00 C ATOM 662 O ALA A 43 -0.612 -5.404 -2.096 1.00 0.00 O ATOM 663 CB ALA A 43 -0.222 -8.004 -0.371 1.00 0.00 C ATOM 0 H ALA A 43 -2.502 -8.915 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.464 -6.351 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.688 -7.406 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.304 -8.451 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.184 -8.793 -1.122 1.00 0.00 H new ATOM 669 N TRP A 44 -1.963 -6.968 -2.989 1.00 0.00 N ATOM 670 CA TRP A 44 -1.938 -6.384 -4.325 1.00 0.00 C ATOM 671 C TRP A 44 -2.520 -4.973 -4.305 1.00 0.00 C ATOM 672 O TRP A 44 -2.033 -4.076 -4.994 1.00 0.00 O ATOM 673 CB TRP A 44 -2.722 -7.265 -5.301 1.00 0.00 C ATOM 674 CG TRP A 44 -1.851 -8.197 -6.086 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.218 -9.311 -5.618 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.514 -8.098 -7.476 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.504 -9.907 -6.628 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.671 -9.184 -7.778 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.843 -7.198 -8.494 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.151 -9.393 -9.053 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.326 -7.408 -9.760 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.490 -8.498 -10.030 1.00 0.00 C ATOM 0 H TRP A 44 -2.525 -7.816 -2.909 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.901 -6.325 -4.657 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.457 -7.847 -4.745 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.276 -6.628 -5.991 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.271 -9.672 -4.601 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.060 -10.752 -6.536 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.488 -6.355 -8.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.497 -10.232 -9.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.572 -6.719 -10.554 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.105 -8.635 -11.030 1.00 0.00 H new ATOM 693 N ILE A 45 -3.570 -4.789 -3.508 1.00 0.00 N ATOM 694 CA ILE A 45 -4.236 -3.497 -3.385 1.00 0.00 C ATOM 695 C ILE A 45 -3.786 -2.759 -2.124 1.00 0.00 C ATOM 696 O ILE A 45 -3.966 -1.548 -2.002 1.00 0.00 O ATOM 697 CB ILE A 45 -5.772 -3.658 -3.356 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.235 -4.613 -4.464 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.452 -2.303 -3.499 1.00 0.00 C ATOM 700 CD1 ILE A 45 -5.876 -4.156 -5.863 1.00 0.00 C ATOM 0 H ILE A 45 -3.980 -5.526 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.955 -2.912 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.055 -4.086 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.795 -5.595 -4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.317 -4.732 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.534 -2.435 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.148 -1.655 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.161 -1.848 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.238 -4.885 -6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.338 -3.189 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.793 -4.065 -5.949 1.00 0.00 H new ATOM 712 N ILE A 46 -3.213 -3.505 -1.182 1.00 0.00 N ATOM 713 CA ILE A 46 -2.756 -2.938 0.085 1.00 0.00 C ATOM 714 C ILE A 46 -1.883 -1.696 -0.119 1.00 0.00 C ATOM 715 O ILE A 46 -2.067 -0.687 0.563 1.00 0.00 O ATOM 716 CB ILE A 46 -1.995 -3.992 0.930 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.259 -3.765 2.416 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.498 -3.964 0.648 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.540 -5.041 3.178 1.00 0.00 C ATOM 0 H ILE A 46 -3.054 -4.508 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.649 -2.631 0.629 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.366 -4.977 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.396 -3.269 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.107 -3.090 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.001 -4.716 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.322 -4.177 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.101 -2.978 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.719 -4.806 4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.421 -5.528 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.683 -5.710 3.097 1.00 0.00 H new ATOM 731 N GLY A 47 -0.948 -1.763 -1.066 1.00 0.00 N ATOM 732 CA GLY A 47 -0.066 -0.636 -1.316 1.00 0.00 C ATOM 733 C GLY A 47 -0.763 0.522 -2.004 1.00 0.00 C ATOM 734 O GLY A 47 -0.237 1.636 -2.041 1.00 0.00 O ATOM 0 H GLY A 47 -0.787 -2.575 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.351 -0.291 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.771 -0.966 -1.931 1.00 0.00 H new ATOM 738 N ASN A 48 -1.946 0.263 -2.548 1.00 0.00 N ATOM 739 CA ASN A 48 -2.713 1.290 -3.247 1.00 0.00 C ATOM 740 C ASN A 48 -3.271 2.332 -2.277 1.00 0.00 C ATOM 741 O ASN A 48 -3.776 3.371 -2.701 1.00 0.00 O ATOM 742 CB ASN A 48 -3.859 0.652 -4.036 1.00 0.00 C ATOM 743 CG ASN A 48 -3.395 -0.493 -4.919 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.417 -1.175 -4.613 1.00 0.00 O ATOM 745 ND2 ASN A 48 -4.099 -0.711 -6.022 1.00 0.00 N ATOM 0 H ASN A 48 -2.397 -0.651 -2.519 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.036 1.795 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.614 0.286 -3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.337 1.412 -4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.836 -1.468 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.903 -0.122 -6.238 1.00 0.00 H new ATOM 752 N PHE A 49 -3.180 2.052 -0.977 1.00 0.00 N ATOM 753 CA PHE A 49 -3.693 2.969 0.037 1.00 0.00 C ATOM 754 C PHE A 49 -2.616 3.931 0.533 1.00 0.00 C ATOM 755 O PHE A 49 -2.926 5.029 0.997 1.00 0.00 O ATOM 756 CB PHE A 49 -4.261 2.183 1.215 1.00 0.00 C ATOM 757 CG PHE A 49 -5.538 1.454 0.902 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.546 0.384 0.021 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.729 1.838 1.495 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.719 -0.289 -0.262 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.905 1.170 1.215 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.901 0.105 0.336 1.00 0.00 C ATOM 0 H PHE A 49 -2.758 1.202 -0.604 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.482 3.561 -0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.516 1.462 1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.439 2.868 2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.625 0.073 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.738 2.669 2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.712 -1.122 -0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.827 1.480 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.820 -0.419 0.116 1.00 0.00 H new ATOM 772 N GLN A 50 -1.354 3.515 0.441 1.00 0.00 N ATOM 773 CA GLN A 50 -0.239 4.348 0.887 1.00 0.00 C ATOM 774 C GLN A 50 -0.325 4.626 2.386 1.00 0.00 C ATOM 775 O GLN A 50 -0.242 5.775 2.823 1.00 0.00 O ATOM 776 CB GLN A 50 -0.215 5.664 0.107 1.00 0.00 C ATOM 777 CG GLN A 50 0.800 5.681 -1.020 1.00 0.00 C ATOM 778 CD GLN A 50 0.273 6.347 -2.276 1.00 0.00 C ATOM 779 OE1 GLN A 50 0.421 7.556 -2.461 1.00 0.00 O ATOM 780 NE2 GLN A 50 -0.348 5.559 -3.146 1.00 0.00 N ATOM 0 H GLN A 50 -1.079 2.609 0.063 1.00 0.00 H new ATOM 0 HA GLN A 50 0.686 3.804 0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.207 5.851 -0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.004 6.481 0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.697 6.203 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.094 4.658 -1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.447 4.563 -2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.725 5.950 -4.009 1.00 0.00 H new ATOM 789 N ASP A 51 -0.487 3.563 3.168 1.00 0.00 N ATOM 790 CA ASP A 51 -0.585 3.686 4.621 1.00 0.00 C ATOM 791 C ASP A 51 0.419 2.768 5.317 1.00 0.00 C ATOM 792 O ASP A 51 1.065 1.939 4.675 1.00 0.00 O ATOM 793 CB ASP A 51 -2.005 3.357 5.084 1.00 0.00 C ATOM 794 CG ASP A 51 -2.239 3.705 6.540 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.528 4.886 6.829 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.130 2.799 7.393 1.00 0.00 O ATOM 0 H ASP A 51 -0.553 2.606 2.821 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.351 4.716 4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.720 3.900 4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.195 2.294 4.933 1.00 0.00 H new ATOM 801 N GLU A 52 0.546 2.926 6.632 1.00 0.00 N ATOM 802 CA GLU A 52 1.465 2.109 7.419 1.00 0.00 C ATOM 803 C GLU A 52 1.067 0.638 7.361 1.00 0.00 C ATOM 804 O GLU A 52 1.922 -0.248 7.336 1.00 0.00 O ATOM 805 CB GLU A 52 1.486 2.588 8.871 1.00 0.00 C ATOM 806 CG GLU A 52 2.039 3.992 9.039 1.00 0.00 C ATOM 807 CD GLU A 52 2.009 4.463 10.481 1.00 0.00 C ATOM 808 OE1 GLU A 52 0.954 4.970 10.918 1.00 0.00 O ATOM 809 OE2 GLU A 52 3.040 4.325 11.173 1.00 0.00 O ATOM 0 H GLU A 52 0.023 3.613 7.175 1.00 0.00 H new ATOM 0 HA GLU A 52 2.464 2.213 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.472 2.555 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.085 1.897 9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.065 4.020 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.462 4.682 8.423 1.00 0.00 H new ATOM 816 N ARG A 53 -0.239 0.389 7.345 1.00 0.00 N ATOM 817 CA ARG A 53 -0.767 -0.970 7.279 1.00 0.00 C ATOM 818 C ARG A 53 -0.431 -1.616 5.940 1.00 0.00 C ATOM 819 O ARG A 53 -0.639 -2.813 5.747 1.00 0.00 O ATOM 820 CB ARG A 53 -2.283 -0.957 7.465 1.00 0.00 C ATOM 821 CG ARG A 53 -2.729 -0.611 8.871 1.00 0.00 C ATOM 822 CD ARG A 53 -2.930 -1.859 9.715 1.00 0.00 C ATOM 823 NE ARG A 53 -3.445 -1.542 11.044 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.607 -2.441 12.010 1.00 0.00 C ATOM 825 NH1 ARG A 53 -3.292 -3.714 11.800 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.084 -2.068 13.188 1.00 0.00 N ATOM 0 H ARG A 53 -0.955 1.115 7.377 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.306 -1.550 8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.718 -0.239 6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.680 -1.937 7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.985 0.032 9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.659 -0.045 8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.622 -2.532 9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.982 -2.389 9.810 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.695 -0.573 11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.924 -4.006 10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.418 -4.400 12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.327 -1.091 13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.208 -2.757 13.929 1.00 0.00 H new ATOM 840 N ALA A 54 0.080 -0.810 5.019 1.00 0.00 N ATOM 841 CA ALA A 54 0.436 -1.287 3.688 1.00 0.00 C ATOM 842 C ALA A 54 1.932 -1.512 3.583 1.00 0.00 C ATOM 843 O ALA A 54 2.450 -1.843 2.518 1.00 0.00 O ATOM 844 CB ALA A 54 -0.011 -0.286 2.635 1.00 0.00 C ATOM 0 H ALA A 54 0.258 0.183 5.170 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.072 -2.236 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.260 -0.653 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.092 -0.158 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.478 0.672 2.813 1.00 0.00 H new ATOM 850 N VAL A 55 2.618 -1.323 4.698 1.00 0.00 N ATOM 851 CA VAL A 55 4.061 -1.482 4.746 1.00 0.00 C ATOM 852 C VAL A 55 4.474 -2.898 5.145 1.00 0.00 C ATOM 853 O VAL A 55 5.259 -3.542 4.449 1.00 0.00 O ATOM 854 CB VAL A 55 4.682 -0.473 5.726 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.192 -0.586 5.724 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.248 0.943 5.378 1.00 0.00 C ATOM 0 H VAL A 55 2.195 -1.058 5.587 1.00 0.00 H new ATOM 0 HA VAL A 55 4.433 -1.295 3.739 1.00 0.00 H new ATOM 0 HB VAL A 55 4.326 -0.704 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.612 0.136 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.482 -1.593 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.571 -0.383 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.697 1.644 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.574 1.185 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.162 1.015 5.436 1.00 0.00 H new ATOM 866 N GLU A 56 3.946 -3.376 6.269 1.00 0.00 N ATOM 867 CA GLU A 56 4.286 -4.708 6.768 1.00 0.00 C ATOM 868 C GLU A 56 3.919 -5.817 5.776 1.00 0.00 C ATOM 869 O GLU A 56 4.757 -6.664 5.465 1.00 0.00 O ATOM 870 CB GLU A 56 3.620 -4.974 8.118 1.00 0.00 C ATOM 871 CG GLU A 56 4.165 -6.206 8.821 1.00 0.00 C ATOM 872 CD GLU A 56 3.197 -6.772 9.843 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.294 -7.538 9.444 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.341 -6.448 11.041 1.00 0.00 O ATOM 0 H GLU A 56 3.283 -2.864 6.851 1.00 0.00 H new ATOM 0 HA GLU A 56 5.369 -4.724 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.758 -4.105 8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.547 -5.093 7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.393 -6.972 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.102 -5.952 9.316 1.00 0.00 H new ATOM 881 N PRO A 57 2.664 -5.842 5.271 1.00 0.00 N ATOM 882 CA PRO A 57 2.219 -6.872 4.324 1.00 0.00 C ATOM 883 C PRO A 57 3.218 -7.105 3.199 1.00 0.00 C ATOM 884 O PRO A 57 3.417 -8.237 2.760 1.00 0.00 O ATOM 885 CB PRO A 57 0.918 -6.298 3.769 1.00 0.00 C ATOM 886 CG PRO A 57 0.383 -5.458 4.874 1.00 0.00 C ATOM 887 CD PRO A 57 1.584 -4.879 5.573 1.00 0.00 C ATOM 0 HA PRO A 57 2.107 -7.844 4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.096 -5.707 2.871 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.219 -7.089 3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.262 -4.669 4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.219 -6.053 5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.821 -3.882 5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.417 -4.788 6.646 1.00 0.00 H new ATOM 895 N LEU A 58 3.845 -6.031 2.739 1.00 0.00 N ATOM 896 CA LEU A 58 4.821 -6.125 1.663 1.00 0.00 C ATOM 897 C LEU A 58 6.049 -6.916 2.104 1.00 0.00 C ATOM 898 O LEU A 58 6.580 -7.724 1.348 1.00 0.00 O ATOM 899 CB LEU A 58 5.244 -4.728 1.198 1.00 0.00 C ATOM 900 CG LEU A 58 4.095 -3.777 0.846 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.636 -2.440 0.364 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.186 -4.395 -0.204 1.00 0.00 C ATOM 0 H LEU A 58 3.695 -5.086 3.094 1.00 0.00 H new ATOM 0 HA LEU A 58 4.350 -6.650 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.846 -4.269 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.887 -4.834 0.324 1.00 0.00 H new ATOM 0 HG LEU A 58 3.507 -3.606 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.805 -1.778 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.241 -1.987 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.251 -2.595 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.378 -3.702 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.761 -4.601 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.767 -5.325 0.180 1.00 0.00 H new ATOM 914 N ILE A 59 6.486 -6.685 3.336 1.00 0.00 N ATOM 915 CA ILE A 59 7.658 -7.363 3.881 1.00 0.00 C ATOM 916 C ILE A 59 7.557 -8.882 3.747 1.00 0.00 C ATOM 917 O ILE A 59 8.446 -9.527 3.190 1.00 0.00 O ATOM 918 CB ILE A 59 7.866 -7.004 5.367 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.024 -5.489 5.529 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.078 -7.735 5.932 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.248 -4.921 4.837 1.00 0.00 C ATOM 0 H ILE A 59 6.044 -6.030 3.981 1.00 0.00 H new ATOM 0 HA ILE A 59 8.512 -7.018 3.297 1.00 0.00 H new ATOM 0 HB ILE A 59 6.987 -7.323 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.135 -4.997 5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.076 -5.251 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.207 -7.468 6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.926 -8.811 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.969 -7.449 5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.290 -3.844 4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.145 -5.384 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.190 -5.126 3.768 1.00 0.00 H new ATOM 933 N LYS A 60 6.468 -9.441 4.258 1.00 0.00 N ATOM 934 CA LYS A 60 6.249 -10.884 4.222 1.00 0.00 C ATOM 935 C LYS A 60 5.969 -11.388 2.802 1.00 0.00 C ATOM 936 O LYS A 60 6.468 -12.440 2.398 1.00 0.00 O ATOM 937 CB LYS A 60 5.077 -11.245 5.139 1.00 0.00 C ATOM 938 CG LYS A 60 5.247 -12.567 5.874 1.00 0.00 C ATOM 939 CD LYS A 60 6.392 -12.516 6.878 1.00 0.00 C ATOM 940 CE LYS A 60 6.142 -11.487 7.973 1.00 0.00 C ATOM 941 NZ LYS A 60 4.905 -11.782 8.746 1.00 0.00 N ATOM 0 H LYS A 60 5.717 -8.915 4.705 1.00 0.00 H new ATOM 0 HA LYS A 60 7.162 -11.369 4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.944 -10.449 5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.164 -11.287 4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.321 -12.816 6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.432 -13.362 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.524 -13.500 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.320 -12.275 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.996 -11.464 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.063 -10.496 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.870 -11.175 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.072 -11.597 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.907 -12.780 9.037 1.00 0.00 H new ATOM 955 N LEU A 61 5.179 -10.628 2.054 1.00 0.00 N ATOM 956 CA LEU A 61 4.794 -11.001 0.690 1.00 0.00 C ATOM 957 C LEU A 61 5.979 -11.051 -0.274 1.00 0.00 C ATOM 958 O LEU A 61 6.026 -11.912 -1.153 1.00 0.00 O ATOM 959 CB LEU A 61 3.761 -10.013 0.161 1.00 0.00 C ATOM 960 CG LEU A 61 2.548 -10.639 -0.517 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.448 -10.911 0.496 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.050 -9.737 -1.630 1.00 0.00 C ATOM 0 H LEU A 61 4.787 -9.741 2.369 1.00 0.00 H new ATOM 0 HA LEU A 61 4.378 -12.007 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.415 -9.396 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.250 -9.347 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 61 2.844 -11.593 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.591 -11.358 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.817 -11.596 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.145 -9.975 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.183 -10.193 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.768 -8.769 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.840 -9.599 -2.368 1.00 0.00 H new ATOM 974 N LEU A 62 6.924 -10.132 -0.123 1.00 0.00 N ATOM 975 CA LEU A 62 8.088 -10.092 -1.002 1.00 0.00 C ATOM 976 C LEU A 62 8.860 -11.399 -0.907 1.00 0.00 C ATOM 977 O LEU A 62 9.724 -11.693 -1.733 1.00 0.00 O ATOM 978 CB LEU A 62 8.988 -8.911 -0.643 1.00 0.00 C ATOM 979 CG LEU A 62 8.383 -7.537 -0.931 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.088 -6.462 -0.119 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.461 -7.223 -2.417 1.00 0.00 C ATOM 0 H LEU A 62 6.909 -9.408 0.595 1.00 0.00 H new ATOM 0 HA LEU A 62 7.747 -9.962 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.235 -8.969 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.924 -9.004 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 62 7.333 -7.554 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.644 -5.491 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.981 -6.680 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.146 -6.444 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.026 -6.241 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.504 -7.225 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.909 -7.978 -2.978 1.00 0.00 H new ATOM 993 N GLU A 63 8.531 -12.177 0.113 1.00 0.00 N ATOM 994 CA GLU A 63 9.160 -13.464 0.337 1.00 0.00 C ATOM 995 C GLU A 63 8.151 -14.590 0.121 1.00 0.00 C ATOM 996 O GLU A 63 8.520 -15.759 0.019 1.00 0.00 O ATOM 997 CB GLU A 63 9.734 -13.524 1.752 1.00 0.00 C ATOM 998 CG GLU A 63 11.045 -12.768 1.910 1.00 0.00 C ATOM 999 CD GLU A 63 12.131 -13.282 0.985 1.00 0.00 C ATOM 1000 OE1 GLU A 63 12.209 -12.798 -0.164 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.902 -14.168 1.409 1.00 0.00 O ATOM 0 H GLU A 63 7.823 -11.933 0.805 1.00 0.00 H new ATOM 0 HA GLU A 63 9.974 -13.590 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.003 -13.116 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.890 -14.567 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.876 -11.710 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.384 -12.849 2.943 1.00 0.00 H new ATOM 1008 N ASP A 64 6.872 -14.220 0.055 1.00 0.00 N ATOM 1009 CA ASP A 64 5.797 -15.186 -0.156 1.00 0.00 C ATOM 1010 C ASP A 64 5.967 -15.900 -1.491 1.00 0.00 C ATOM 1011 O ASP A 64 5.512 -15.417 -2.527 1.00 0.00 O ATOM 1012 CB ASP A 64 4.432 -14.497 -0.098 1.00 0.00 C ATOM 1013 CG ASP A 64 3.813 -14.550 1.287 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.192 -13.721 2.140 1.00 0.00 O ATOM 1015 OD2 ASP A 64 2.947 -15.420 1.516 1.00 0.00 O ATOM 0 H ASP A 64 6.556 -13.254 0.145 1.00 0.00 H new ATOM 0 HA ASP A 64 5.848 -15.926 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.540 -13.457 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.759 -14.971 -0.812 1.00 0.00 H new ATOM 1020 N ASP A 65 6.613 -17.055 -1.452 1.00 0.00 N ATOM 1021 CA ASP A 65 6.865 -17.841 -2.660 1.00 0.00 C ATOM 1022 C ASP A 65 5.606 -18.554 -3.155 1.00 0.00 C ATOM 1023 O ASP A 65 5.685 -19.655 -3.701 1.00 0.00 O ATOM 1024 CB ASP A 65 7.968 -18.868 -2.399 1.00 0.00 C ATOM 1025 CG ASP A 65 9.285 -18.221 -2.013 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.032 -17.802 -2.923 1.00 0.00 O ATOM 1027 OD2 ASP A 65 9.570 -18.133 -0.801 1.00 0.00 O ATOM 0 H ASP A 65 6.975 -17.474 -0.596 1.00 0.00 H new ATOM 0 HA ASP A 65 7.182 -17.147 -3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.651 -19.542 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.113 -19.475 -3.292 1.00 0.00 H new ATOM 1032 N SER A 66 4.449 -17.923 -2.975 1.00 0.00 N ATOM 1033 CA SER A 66 3.188 -18.506 -3.420 1.00 0.00 C ATOM 1034 C SER A 66 3.007 -18.300 -4.922 1.00 0.00 C ATOM 1035 O SER A 66 2.328 -19.079 -5.591 1.00 0.00 O ATOM 1036 CB SER A 66 2.016 -17.875 -2.667 1.00 0.00 C ATOM 1037 OG SER A 66 0.821 -18.605 -2.884 1.00 0.00 O ATOM 0 H SER A 66 4.359 -17.012 -2.526 1.00 0.00 H new ATOM 0 HA SER A 66 3.211 -19.575 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.239 -17.844 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.881 -16.844 -2.995 1.00 0.00 H new ATOM 0 HG SER A 66 0.301 -18.178 -3.596 1.00 0.00 H new ATOM 1043 N GLY A 67 3.622 -17.240 -5.437 1.00 0.00 N ATOM 1044 CA GLY A 67 3.530 -16.931 -6.854 1.00 0.00 C ATOM 1045 C GLY A 67 3.090 -15.504 -7.098 1.00 0.00 C ATOM 1046 O GLY A 67 3.851 -14.572 -6.839 1.00 0.00 O ATOM 0 H GLY A 67 4.186 -16.585 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.499 -17.096 -7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.825 -17.613 -7.328 1.00 0.00 H new ATOM 1050 N PHE A 68 1.868 -15.319 -7.602 1.00 0.00 N ATOM 1051 CA PHE A 68 1.361 -13.974 -7.849 1.00 0.00 C ATOM 1052 C PHE A 68 1.460 -13.167 -6.566 1.00 0.00 C ATOM 1053 O PHE A 68 1.553 -11.940 -6.587 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.087 -14.005 -8.363 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.137 -13.991 -7.283 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.593 -15.176 -6.726 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -1.676 -12.790 -6.832 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.563 -15.166 -5.743 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -2.646 -12.778 -5.848 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.091 -13.967 -5.304 1.00 0.00 C ATOM 0 H PHE A 68 1.223 -16.072 -7.843 1.00 0.00 H new ATOM 0 HA PHE A 68 1.966 -13.505 -8.625 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.245 -13.147 -9.016 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.223 -14.899 -8.972 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.185 -16.117 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.333 -11.858 -7.255 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.909 -16.096 -5.317 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.056 -11.840 -5.505 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.851 -13.960 -4.536 1.00 0.00 H new ATOM 1070 N VAL A 69 1.445 -13.885 -5.447 1.00 0.00 N ATOM 1071 CA VAL A 69 1.555 -13.269 -4.140 1.00 0.00 C ATOM 1072 C VAL A 69 2.918 -12.610 -3.987 1.00 0.00 C ATOM 1073 O VAL A 69 3.015 -11.463 -3.568 1.00 0.00 O ATOM 1074 CB VAL A 69 1.347 -14.301 -3.017 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.353 -13.629 -1.654 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.049 -15.063 -3.235 1.00 0.00 C ATOM 0 H VAL A 69 1.357 -14.901 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 69 0.774 -12.513 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 69 2.175 -15.010 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.204 -14.380 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.310 -13.131 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.549 -12.894 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.085 -15.789 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.787 -14.364 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.088 -15.582 -4.193 1.00 0.00 H new ATOM 1086 N ARG A 70 3.973 -13.335 -4.349 1.00 0.00 N ATOM 1087 CA ARG A 70 5.325 -12.799 -4.251 1.00 0.00 C ATOM 1088 C ARG A 70 5.429 -11.474 -5.004 1.00 0.00 C ATOM 1089 O ARG A 70 5.848 -10.460 -4.446 1.00 0.00 O ATOM 1090 CB ARG A 70 6.344 -13.791 -4.804 1.00 0.00 C ATOM 1091 CG ARG A 70 7.620 -13.867 -3.981 1.00 0.00 C ATOM 1092 CD ARG A 70 8.828 -14.167 -4.849 1.00 0.00 C ATOM 1093 NE ARG A 70 8.578 -15.271 -5.771 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.480 -15.734 -6.630 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.694 -15.204 -6.674 1.00 0.00 N ATOM 1096 NH2 ARG A 70 9.170 -16.734 -7.445 1.00 0.00 N ATOM 0 H ARG A 70 3.918 -14.287 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 70 5.544 -12.627 -3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.890 -14.781 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.596 -13.510 -5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.773 -12.923 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.517 -14.640 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.098 -13.276 -5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.679 -14.411 -4.214 1.00 0.00 H new ATOM 0 HE ARG A 70 7.658 -15.712 -5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.939 -14.438 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.383 -15.562 -7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.238 -17.148 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.863 -17.089 -8.104 1.00 0.00 H new ATOM 1110 N SER A 71 5.046 -11.499 -6.278 1.00 0.00 N ATOM 1111 CA SER A 71 5.086 -10.307 -7.120 1.00 0.00 C ATOM 1112 C SER A 71 4.071 -9.269 -6.650 1.00 0.00 C ATOM 1113 O SER A 71 4.148 -8.100 -7.030 1.00 0.00 O ATOM 1114 CB SER A 71 4.810 -10.679 -8.578 1.00 0.00 C ATOM 1115 OG SER A 71 3.531 -11.273 -8.721 1.00 0.00 O ATOM 0 H SER A 71 4.703 -12.335 -6.751 1.00 0.00 H new ATOM 0 HA SER A 71 6.083 -9.874 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.872 -9.787 -9.202 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.576 -11.369 -8.932 1.00 0.00 H new ATOM 0 HG SER A 71 3.134 -11.413 -7.836 1.00 0.00 H new ATOM 1121 N GLY A 72 3.116 -9.706 -5.830 1.00 0.00 N ATOM 1122 CA GLY A 72 2.098 -8.801 -5.323 1.00 0.00 C ATOM 1123 C GLY A 72 2.690 -7.564 -4.679 1.00 0.00 C ATOM 1124 O GLY A 72 2.529 -6.455 -5.184 1.00 0.00 O ATOM 0 H GLY A 72 3.030 -10.670 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.442 -8.502 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.480 -9.326 -4.594 1.00 0.00 H new ATOM 1128 N ALA A 73 3.360 -7.754 -3.553 1.00 0.00 N ATOM 1129 CA ALA A 73 3.991 -6.651 -2.844 1.00 0.00 C ATOM 1130 C ALA A 73 5.017 -5.947 -3.723 1.00 0.00 C ATOM 1131 O ALA A 73 5.163 -4.727 -3.659 1.00 0.00 O ATOM 1132 CB ALA A 73 4.659 -7.157 -1.580 1.00 0.00 C ATOM 0 H ALA A 73 3.481 -8.664 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 73 3.215 -5.933 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.128 -6.323 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.912 -7.617 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.418 -7.895 -1.840 1.00 0.00 H new ATOM 1138 N ALA A 74 5.723 -6.723 -4.543 1.00 0.00 N ATOM 1139 CA ALA A 74 6.749 -6.179 -5.426 1.00 0.00 C ATOM 1140 C ALA A 74 6.265 -4.921 -6.140 1.00 0.00 C ATOM 1141 O ALA A 74 6.890 -3.865 -6.044 1.00 0.00 O ATOM 1142 CB ALA A 74 7.183 -7.226 -6.438 1.00 0.00 C ATOM 0 H ALA A 74 5.602 -7.733 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 74 7.605 -5.903 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.949 -6.806 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.587 -8.092 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.325 -7.532 -7.036 1.00 0.00 H new ATOM 1148 N ARG A 75 5.150 -5.039 -6.854 1.00 0.00 N ATOM 1149 CA ARG A 75 4.590 -3.903 -7.581 1.00 0.00 C ATOM 1150 C ARG A 75 4.015 -2.864 -6.621 1.00 0.00 C ATOM 1151 O ARG A 75 3.957 -1.679 -6.947 1.00 0.00 O ATOM 1152 CB ARG A 75 3.510 -4.365 -8.567 1.00 0.00 C ATOM 1153 CG ARG A 75 2.668 -5.523 -8.058 1.00 0.00 C ATOM 1154 CD ARG A 75 1.182 -5.273 -8.262 1.00 0.00 C ATOM 1155 NE ARG A 75 0.870 -4.894 -9.638 1.00 0.00 N ATOM 1156 CZ ARG A 75 -0.262 -4.295 -9.998 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -1.185 -4.012 -9.089 1.00 0.00 N ATOM 1158 NH2 ARG A 75 -0.473 -3.980 -11.269 1.00 0.00 N ATOM 0 H ARG A 75 4.618 -5.905 -6.945 1.00 0.00 H new ATOM 0 HA ARG A 75 5.401 -3.439 -8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.855 -3.524 -8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.987 -4.659 -9.502 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.957 -6.438 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.868 -5.680 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.625 -6.172 -7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.852 -4.484 -7.586 1.00 0.00 H new ATOM 0 HE ARG A 75 1.558 -5.100 -10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.028 -4.254 -8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.052 -3.553 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.233 -4.197 -11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.342 -3.521 -11.543 1.00 0.00 H new ATOM 1172 N SER A 76 3.597 -3.309 -5.438 1.00 0.00 N ATOM 1173 CA SER A 76 3.030 -2.408 -4.439 1.00 0.00 C ATOM 1174 C SER A 76 4.073 -1.403 -3.952 1.00 0.00 C ATOM 1175 O SER A 76 3.763 -0.235 -3.727 1.00 0.00 O ATOM 1176 CB SER A 76 2.476 -3.204 -3.258 1.00 0.00 C ATOM 1177 OG SER A 76 1.459 -4.099 -3.678 1.00 0.00 O ATOM 0 H SER A 76 3.640 -4.286 -5.149 1.00 0.00 H new ATOM 0 HA SER A 76 2.215 -1.856 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.282 -3.762 -2.781 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.076 -2.520 -2.510 1.00 0.00 H new ATOM 0 HG SER A 76 1.863 -4.847 -4.165 1.00 0.00 H new ATOM 1183 N LEU A 77 5.307 -1.868 -3.780 1.00 0.00 N ATOM 1184 CA LEU A 77 6.393 -0.998 -3.336 1.00 0.00 C ATOM 1185 C LEU A 77 6.622 0.126 -4.339 1.00 0.00 C ATOM 1186 O LEU A 77 6.498 1.305 -4.006 1.00 0.00 O ATOM 1187 CB LEU A 77 7.685 -1.796 -3.155 1.00 0.00 C ATOM 1188 CG LEU A 77 7.870 -2.431 -1.778 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.146 -3.762 -1.700 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.348 -2.601 -1.466 1.00 0.00 C ATOM 0 H LEU A 77 5.580 -2.838 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 77 6.107 -0.566 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.715 -2.584 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.531 -1.137 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 77 7.437 -1.766 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.291 -4.197 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.081 -3.608 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.545 -4.438 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.462 -3.055 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.807 -3.244 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.836 -1.627 -1.475 1.00 0.00 H new ATOM 1202 N GLU A 78 6.959 -0.253 -5.568 1.00 0.00 N ATOM 1203 CA GLU A 78 7.186 0.715 -6.638 1.00 0.00 C ATOM 1204 C GLU A 78 5.954 1.589 -6.842 1.00 0.00 C ATOM 1205 O GLU A 78 6.034 2.675 -7.415 1.00 0.00 O ATOM 1206 CB GLU A 78 7.525 -0.010 -7.940 1.00 0.00 C ATOM 1207 CG GLU A 78 8.687 -0.981 -7.815 1.00 0.00 C ATOM 1208 CD GLU A 78 8.860 -1.844 -9.049 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.197 -2.899 -9.133 1.00 0.00 O ATOM 1210 OE2 GLU A 78 9.658 -1.466 -9.931 1.00 0.00 O ATOM 0 H GLU A 78 7.081 -1.226 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 78 8.024 1.351 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.644 -0.553 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.761 0.729 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.605 -0.422 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.529 -1.621 -6.947 1.00 0.00 H new ATOM 1217 N GLN A 79 4.813 1.100 -6.368 1.00 0.00 N ATOM 1218 CA GLN A 79 3.553 1.823 -6.488 1.00 0.00 C ATOM 1219 C GLN A 79 3.574 3.076 -5.621 1.00 0.00 C ATOM 1220 O GLN A 79 3.382 4.189 -6.111 1.00 0.00 O ATOM 1221 CB GLN A 79 2.396 0.918 -6.065 1.00 0.00 C ATOM 1222 CG GLN A 79 1.104 1.153 -6.831 1.00 0.00 C ATOM 1223 CD GLN A 79 0.042 0.128 -6.481 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -1.154 0.416 -6.520 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.479 -1.082 -6.138 1.00 0.00 N ATOM 0 H GLN A 79 4.736 0.200 -5.894 1.00 0.00 H new ATOM 0 HA GLN A 79 3.417 2.121 -7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.697 -0.121 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.206 1.064 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.729 2.153 -6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.305 1.116 -7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.480 -1.276 -6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.187 -1.815 -5.894 1.00 0.00 H new ATOM 1234 N ILE A 80 3.812 2.880 -4.329 1.00 0.00 N ATOM 1235 CA ILE A 80 3.866 3.983 -3.380 1.00 0.00 C ATOM 1236 C ILE A 80 5.039 4.911 -3.681 1.00 0.00 C ATOM 1237 O ILE A 80 4.850 6.096 -3.959 1.00 0.00 O ATOM 1238 CB ILE A 80 3.995 3.460 -1.936 1.00 0.00 C ATOM 1239 CG1 ILE A 80 2.788 2.588 -1.577 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.136 4.620 -0.959 1.00 0.00 C ATOM 1241 CD1 ILE A 80 2.893 1.931 -0.217 1.00 0.00 C ATOM 0 H ILE A 80 3.971 1.962 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 80 2.935 4.541 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 80 4.893 2.847 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.887 3.201 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.672 1.814 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.226 4.232 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.026 5.198 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.257 5.261 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.002 1.330 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.775 1.291 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.978 2.699 0.552 1.00 0.00 H new ATOM 1253 N GLY A 81 6.249 4.363 -3.627 1.00 0.00 N ATOM 1254 CA GLY A 81 7.435 5.156 -3.891 1.00 0.00 C ATOM 1255 C GLY A 81 7.662 6.225 -2.841 1.00 0.00 C ATOM 1256 O GLY A 81 7.002 7.265 -2.851 1.00 0.00 O ATOM 0 H GLY A 81 6.429 3.384 -3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.305 4.501 -3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.344 5.626 -4.870 1.00 0.00 H new ATOM 1260 N GLY A 82 8.600 5.972 -1.930 1.00 0.00 N ATOM 1261 CA GLY A 82 8.893 6.931 -0.880 1.00 0.00 C ATOM 1262 C GLY A 82 9.899 6.407 0.126 1.00 0.00 C ATOM 1263 O GLY A 82 10.454 5.323 -0.048 1.00 0.00 O ATOM 0 H GLY A 82 9.161 5.121 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.277 7.848 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.969 7.191 -0.363 1.00 0.00 H new ATOM 1267 N GLU A 83 10.137 7.183 1.181 1.00 0.00 N ATOM 1268 CA GLU A 83 11.084 6.794 2.221 1.00 0.00 C ATOM 1269 C GLU A 83 10.560 5.603 3.015 1.00 0.00 C ATOM 1270 O GLU A 83 11.325 4.724 3.415 1.00 0.00 O ATOM 1271 CB GLU A 83 11.349 7.970 3.163 1.00 0.00 C ATOM 1272 CG GLU A 83 12.413 7.684 4.211 1.00 0.00 C ATOM 1273 CD GLU A 83 12.655 8.864 5.132 1.00 0.00 C ATOM 1274 OE1 GLU A 83 11.972 8.957 6.174 1.00 0.00 O ATOM 1275 OE2 GLU A 83 13.529 9.696 4.811 1.00 0.00 O ATOM 0 H GLU A 83 9.687 8.085 1.337 1.00 0.00 H new ATOM 0 HA GLU A 83 12.017 6.505 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.655 8.835 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.420 8.239 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.111 6.821 4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.346 7.419 3.714 1.00 0.00 H new ATOM 1282 N ARG A 84 9.252 5.585 3.241 1.00 0.00 N ATOM 1283 CA ARG A 84 8.617 4.505 3.984 1.00 0.00 C ATOM 1284 C ARG A 84 8.847 3.168 3.286 1.00 0.00 C ATOM 1285 O ARG A 84 9.203 2.176 3.922 1.00 0.00 O ATOM 1286 CB ARG A 84 7.111 4.774 4.145 1.00 0.00 C ATOM 1287 CG ARG A 84 6.312 4.714 2.844 1.00 0.00 C ATOM 1288 CD ARG A 84 6.606 5.900 1.938 1.00 0.00 C ATOM 1289 NE ARG A 84 6.346 7.174 2.604 1.00 0.00 N ATOM 1290 CZ ARG A 84 5.804 8.227 1.999 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.489 8.167 0.712 1.00 0.00 N ATOM 1292 NH2 ARG A 84 5.581 9.343 2.680 1.00 0.00 N ATOM 0 H ARG A 84 8.609 6.309 2.919 1.00 0.00 H new ATOM 0 HA ARG A 84 9.068 4.459 4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.698 4.046 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.977 5.758 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.546 3.789 2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.247 4.689 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.648 5.863 1.619 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.995 5.830 1.038 1.00 0.00 H new ATOM 0 HE ARG A 84 6.594 7.261 3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.662 7.312 0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.073 8.976 0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.825 9.394 3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.165 10.150 2.215 1.00 0.00 H new ATOM 1306 N VAL A 85 8.642 3.157 1.974 1.00 0.00 N ATOM 1307 CA VAL A 85 8.824 1.954 1.175 1.00 0.00 C ATOM 1308 C VAL A 85 10.302 1.593 1.052 1.00 0.00 C ATOM 1309 O VAL A 85 10.652 0.431 0.841 1.00 0.00 O ATOM 1310 CB VAL A 85 8.229 2.134 -0.232 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.236 0.821 -0.994 1.00 0.00 C ATOM 1312 CG2 VAL A 85 6.823 2.701 -0.141 1.00 0.00 C ATOM 0 H VAL A 85 8.348 3.974 1.439 1.00 0.00 H new ATOM 0 HA VAL A 85 8.302 1.145 1.686 1.00 0.00 H new ATOM 0 HB VAL A 85 8.850 2.841 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.811 0.974 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.261 0.462 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.642 0.084 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.414 2.823 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.191 2.018 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.853 3.669 0.359 1.00 0.00 H new ATOM 1322 N ARG A 86 11.164 2.597 1.188 1.00 0.00 N ATOM 1323 CA ARG A 86 12.604 2.385 1.089 1.00 0.00 C ATOM 1324 C ARG A 86 13.068 1.373 2.128 1.00 0.00 C ATOM 1325 O ARG A 86 13.976 0.582 1.878 1.00 0.00 O ATOM 1326 CB ARG A 86 13.353 3.707 1.274 1.00 0.00 C ATOM 1327 CG ARG A 86 14.822 3.633 0.896 1.00 0.00 C ATOM 1328 CD ARG A 86 15.509 4.976 1.083 1.00 0.00 C ATOM 1329 NE ARG A 86 14.844 6.036 0.333 1.00 0.00 N ATOM 1330 CZ ARG A 86 15.263 7.298 0.308 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.341 7.657 0.992 1.00 0.00 N ATOM 1332 NH2 ARG A 86 14.602 8.202 -0.402 1.00 0.00 N ATOM 0 H ARG A 86 10.891 3.563 1.367 1.00 0.00 H new ATOM 0 HA ARG A 86 12.824 1.992 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.870 4.476 0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.270 4.019 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.319 2.880 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.917 3.315 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.521 5.233 2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.548 4.900 0.761 1.00 0.00 H new ATOM 0 HE ARG A 86 14.010 5.796 -0.203 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.852 6.964 1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.659 8.626 0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.772 7.930 -0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.923 9.170 -0.421 1.00 0.00 H new ATOM 1346 N ALA A 87 12.432 1.401 3.295 1.00 0.00 N ATOM 1347 CA ALA A 87 12.772 0.484 4.373 1.00 0.00 C ATOM 1348 C ALA A 87 12.166 -0.888 4.113 1.00 0.00 C ATOM 1349 O ALA A 87 12.629 -1.896 4.648 1.00 0.00 O ATOM 1350 CB ALA A 87 12.294 1.035 5.707 1.00 0.00 C ATOM 0 H ALA A 87 11.677 2.051 3.517 1.00 0.00 H new ATOM 0 HA ALA A 87 13.856 0.380 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.556 0.338 6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.771 1.997 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.212 1.166 5.680 1.00 0.00 H new ATOM 1356 N ALA A 88 11.126 -0.914 3.285 1.00 0.00 N ATOM 1357 CA ALA A 88 10.455 -2.156 2.939 1.00 0.00 C ATOM 1358 C ALA A 88 11.338 -2.997 2.032 1.00 0.00 C ATOM 1359 O ALA A 88 11.434 -4.214 2.192 1.00 0.00 O ATOM 1360 CB ALA A 88 9.117 -1.874 2.273 1.00 0.00 C ATOM 0 H ALA A 88 10.731 -0.085 2.842 1.00 0.00 H new ATOM 0 HA ALA A 88 10.268 -2.716 3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.630 -2.816 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.483 -1.309 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.278 -1.295 1.364 1.00 0.00 H new ATOM 1366 N MET A 89 11.984 -2.336 1.074 1.00 0.00 N ATOM 1367 CA MET A 89 12.866 -3.020 0.146 1.00 0.00 C ATOM 1368 C MET A 89 14.149 -3.444 0.856 1.00 0.00 C ATOM 1369 O MET A 89 14.715 -4.494 0.558 1.00 0.00 O ATOM 1370 CB MET A 89 13.175 -2.116 -1.054 1.00 0.00 C ATOM 1371 CG MET A 89 14.382 -1.210 -0.872 1.00 0.00 C ATOM 1372 SD MET A 89 15.943 -2.050 -1.210 1.00 0.00 S ATOM 1373 CE MET A 89 17.119 -0.800 -0.700 1.00 0.00 C ATOM 0 H MET A 89 11.910 -1.330 0.924 1.00 0.00 H new ATOM 0 HA MET A 89 12.368 -3.917 -0.223 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.337 -2.742 -1.931 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.301 -1.498 -1.260 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.287 -0.349 -1.533 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.394 -0.828 0.149 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.994 -0.837 -1.349 1.00 0.00 H new ATOM 0 HE2 MET A 89 16.657 0.185 -0.770 1.00 0.00 H new ATOM 0 HE3 MET A 89 17.424 -0.986 0.330 1.00 0.00 H new ATOM 1383 N GLU A 90 14.602 -2.617 1.798 1.00 0.00 N ATOM 1384 CA GLU A 90 15.810 -2.913 2.560 1.00 0.00 C ATOM 1385 C GLU A 90 15.649 -4.216 3.330 1.00 0.00 C ATOM 1386 O GLU A 90 16.548 -5.057 3.344 1.00 0.00 O ATOM 1387 CB GLU A 90 16.127 -1.775 3.534 1.00 0.00 C ATOM 1388 CG GLU A 90 16.669 -0.524 2.863 1.00 0.00 C ATOM 1389 CD GLU A 90 16.847 0.627 3.835 1.00 0.00 C ATOM 1390 OE1 GLU A 90 17.935 0.731 4.438 1.00 0.00 O ATOM 1391 OE2 GLU A 90 15.898 1.424 3.992 1.00 0.00 O ATOM 0 H GLU A 90 14.150 -1.738 2.050 1.00 0.00 H new ATOM 0 HA GLU A 90 16.636 -3.015 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.222 -1.517 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.854 -2.128 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.627 -0.752 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.990 -0.220 2.066 1.00 0.00 H new ATOM 1398 N LYS A 91 14.495 -4.375 3.970 1.00 0.00 N ATOM 1399 CA LYS A 91 14.214 -5.580 4.745 1.00 0.00 C ATOM 1400 C LYS A 91 14.211 -6.815 3.847 1.00 0.00 C ATOM 1401 O LYS A 91 14.597 -7.901 4.277 1.00 0.00 O ATOM 1402 CB LYS A 91 12.872 -5.448 5.472 1.00 0.00 C ATOM 1403 CG LYS A 91 12.821 -6.173 6.809 1.00 0.00 C ATOM 1404 CD LYS A 91 12.683 -7.677 6.631 1.00 0.00 C ATOM 1405 CE LYS A 91 12.567 -8.388 7.970 1.00 0.00 C ATOM 1406 NZ LYS A 91 11.407 -7.896 8.762 1.00 0.00 N ATOM 0 H LYS A 91 13.741 -3.688 3.968 1.00 0.00 H new ATOM 0 HA LYS A 91 15.004 -5.698 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.660 -4.391 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.082 -5.836 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.727 -5.956 7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.981 -5.798 7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.803 -7.894 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.546 -8.061 6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.464 -9.460 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.484 -8.240 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.750 -7.353 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.814 -7.285 8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.845 -8.706 9.095 1.00 0.00 H new ATOM 1420 N LEU A 92 13.790 -6.645 2.596 1.00 0.00 N ATOM 1421 CA LEU A 92 13.753 -7.749 1.661 1.00 0.00 C ATOM 1422 C LEU A 92 15.137 -7.941 1.048 1.00 0.00 C ATOM 1423 O LEU A 92 15.496 -9.036 0.620 1.00 0.00 O ATOM 1424 CB LEU A 92 12.688 -7.482 0.593 1.00 0.00 C ATOM 1425 CG LEU A 92 13.026 -7.959 -0.816 1.00 0.00 C ATOM 1426 CD1 LEU A 92 12.968 -9.477 -0.900 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.077 -7.330 -1.824 1.00 0.00 C ATOM 0 H LEU A 92 13.472 -5.754 2.214 1.00 0.00 H new ATOM 0 HA LEU A 92 13.483 -8.671 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.760 -7.960 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.497 -6.409 0.557 1.00 0.00 H new ATOM 0 HG LEU A 92 14.043 -7.647 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.212 -9.795 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.686 -9.908 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.964 -9.817 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.328 -7.678 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.052 -7.616 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.170 -6.245 -1.783 1.00 0.00 H new ATOM 1439 N ALA A 93 15.914 -6.862 1.023 1.00 0.00 N ATOM 1440 CA ALA A 93 17.268 -6.903 0.489 1.00 0.00 C ATOM 1441 C ALA A 93 18.166 -7.745 1.387 1.00 0.00 C ATOM 1442 O ALA A 93 19.233 -8.200 0.971 1.00 0.00 O ATOM 1443 CB ALA A 93 17.825 -5.494 0.348 1.00 0.00 C ATOM 0 H ALA A 93 15.626 -5.946 1.368 1.00 0.00 H new ATOM 0 HA ALA A 93 17.239 -7.362 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 93 18.838 -5.541 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.194 -4.919 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 93 17.843 -5.011 1.325 1.00 0.00 H new ATOM 1449 N GLU A 94 17.720 -7.945 2.624 1.00 0.00 N ATOM 1450 CA GLU A 94 18.461 -8.741 3.594 1.00 0.00 C ATOM 1451 C GLU A 94 18.217 -10.223 3.342 1.00 0.00 C ATOM 1452 O GLU A 94 19.083 -11.063 3.588 1.00 0.00 O ATOM 1453 CB GLU A 94 18.032 -8.374 5.017 1.00 0.00 C ATOM 1454 CG GLU A 94 18.758 -9.157 6.100 1.00 0.00 C ATOM 1455 CD GLU A 94 18.298 -8.780 7.495 1.00 0.00 C ATOM 1456 OE1 GLU A 94 18.830 -7.795 8.050 1.00 0.00 O ATOM 1457 OE2 GLU A 94 17.406 -9.470 8.032 1.00 0.00 O ATOM 0 H GLU A 94 16.843 -7.563 2.979 1.00 0.00 H new ATOM 0 HA GLU A 94 19.525 -8.531 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.204 -7.309 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.960 -8.542 5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.596 -10.223 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.830 -8.981 6.014 1.00 0.00 H new ATOM 1464 N THR A 95 17.025 -10.525 2.842 1.00 0.00 N ATOM 1465 CA THR A 95 16.639 -11.896 2.533 1.00 0.00 C ATOM 1466 C THR A 95 16.412 -12.036 1.035 1.00 0.00 C ATOM 1467 O THR A 95 15.717 -12.943 0.577 1.00 0.00 O ATOM 1468 CB THR A 95 15.353 -12.301 3.279 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.341 -11.307 3.084 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.619 -12.478 4.767 1.00 0.00 C ATOM 0 H THR A 95 16.304 -9.832 2.641 1.00 0.00 H new ATOM 0 HA THR A 95 17.446 -12.554 2.857 1.00 0.00 H new ATOM 0 HB THR A 95 15.010 -13.253 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.526 -11.572 3.560 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.695 -12.764 5.270 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.368 -13.257 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.985 -11.540 5.185 1.00 0.00 H new ATOM 1478 N GLY A 96 17.017 -11.123 0.282 1.00 0.00 N ATOM 1479 CA GLY A 96 16.874 -11.115 -1.157 1.00 0.00 C ATOM 1480 C GLY A 96 17.255 -12.427 -1.804 1.00 0.00 C ATOM 1481 O GLY A 96 18.397 -12.877 -1.698 1.00 0.00 O ATOM 0 H GLY A 96 17.611 -10.381 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.841 -10.879 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.493 -10.320 -1.572 1.00 0.00 H new ATOM 1485 N THR A 97 16.290 -13.038 -2.476 1.00 0.00 N ATOM 1486 CA THR A 97 16.519 -14.298 -3.168 1.00 0.00 C ATOM 1487 C THR A 97 15.723 -14.354 -4.471 1.00 0.00 C ATOM 1488 O THR A 97 14.516 -14.112 -4.482 1.00 0.00 O ATOM 1489 CB THR A 97 16.131 -15.498 -2.282 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.767 -15.386 -1.003 1.00 0.00 O ATOM 1491 CG2 THR A 97 16.538 -16.810 -2.937 1.00 0.00 C ATOM 0 H THR A 97 15.338 -12.680 -2.557 1.00 0.00 H new ATOM 0 HA THR A 97 17.584 -14.356 -3.394 1.00 0.00 H new ATOM 0 HB THR A 97 15.048 -15.492 -2.155 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.380 -14.632 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.254 -17.642 -2.293 1.00 0.00 H new ATOM 0 HG22 THR A 97 16.035 -16.908 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.617 -16.821 -3.089 1.00 0.00 H new ATOM 1499 N GLY A 98 16.407 -14.684 -5.564 1.00 0.00 N ATOM 1500 CA GLY A 98 15.753 -14.772 -6.860 1.00 0.00 C ATOM 1501 C GLY A 98 15.084 -13.472 -7.273 1.00 0.00 C ATOM 1502 O GLY A 98 15.659 -12.394 -7.121 1.00 0.00 O ATOM 0 H GLY A 98 17.405 -14.893 -5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.488 -15.052 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.007 -15.566 -6.832 1.00 0.00 H new ATOM 1506 N PHE A 99 13.867 -13.580 -7.801 1.00 0.00 N ATOM 1507 CA PHE A 99 13.108 -12.413 -8.241 1.00 0.00 C ATOM 1508 C PHE A 99 12.849 -11.466 -7.073 1.00 0.00 C ATOM 1509 O PHE A 99 12.894 -10.246 -7.229 1.00 0.00 O ATOM 1510 CB PHE A 99 11.778 -12.855 -8.862 1.00 0.00 C ATOM 1511 CG PHE A 99 10.811 -11.730 -9.114 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.949 -10.915 -10.228 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.761 -11.491 -8.240 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.059 -9.883 -10.462 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.869 -10.461 -8.470 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.018 -9.656 -9.582 1.00 0.00 C ATOM 0 H PHE A 99 13.384 -14.468 -7.935 1.00 0.00 H new ATOM 0 HA PHE A 99 13.695 -11.883 -8.991 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.981 -13.363 -9.805 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.306 -13.584 -8.203 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.760 -11.088 -10.920 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.639 -12.118 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.177 -9.255 -11.332 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.056 -10.286 -7.781 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.322 -8.850 -9.764 1.00 0.00 H new ATOM 1526 N ALA A 100 12.585 -12.044 -5.907 1.00 0.00 N ATOM 1527 CA ALA A 100 12.307 -11.273 -4.702 1.00 0.00 C ATOM 1528 C ALA A 100 13.370 -10.207 -4.451 1.00 0.00 C ATOM 1529 O ALA A 100 13.053 -9.081 -4.075 1.00 0.00 O ATOM 1530 CB ALA A 100 12.205 -12.204 -3.504 1.00 0.00 C ATOM 0 H ALA A 100 12.558 -13.054 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 100 11.356 -10.760 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.997 -11.621 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.399 -12.919 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.146 -12.740 -3.379 1.00 0.00 H new ATOM 1536 N ARG A 101 14.630 -10.566 -4.660 1.00 0.00 N ATOM 1537 CA ARG A 101 15.738 -9.641 -4.440 1.00 0.00 C ATOM 1538 C ARG A 101 15.746 -8.513 -5.466 1.00 0.00 C ATOM 1539 O ARG A 101 15.673 -7.337 -5.107 1.00 0.00 O ATOM 1540 CB ARG A 101 17.061 -10.388 -4.507 1.00 0.00 C ATOM 1541 CG ARG A 101 18.263 -9.528 -4.157 1.00 0.00 C ATOM 1542 CD ARG A 101 19.372 -10.356 -3.533 1.00 0.00 C ATOM 1543 NE ARG A 101 20.587 -9.574 -3.326 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.750 -10.102 -2.959 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.859 -11.411 -2.768 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.807 -9.322 -2.787 1.00 0.00 N ATOM 0 H ARG A 101 14.912 -11.492 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 101 15.605 -9.202 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.023 -11.239 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.192 -10.789 -5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.635 -9.037 -5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.961 -8.741 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.032 -10.757 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.594 -11.208 -4.176 1.00 0.00 H new ATOM 0 HE ARG A 101 20.541 -8.565 -3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.048 -12.015 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.753 -11.813 -2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.728 -8.316 -2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.700 -9.727 -2.505 1.00 0.00 H new ATOM 1560 N LYS A 102 15.852 -8.883 -6.741 1.00 0.00 N ATOM 1561 CA LYS A 102 15.881 -7.911 -7.832 1.00 0.00 C ATOM 1562 C LYS A 102 14.785 -6.864 -7.658 1.00 0.00 C ATOM 1563 O LYS A 102 14.887 -5.752 -8.170 1.00 0.00 O ATOM 1564 CB LYS A 102 15.723 -8.628 -9.174 1.00 0.00 C ATOM 1565 CG LYS A 102 15.937 -7.730 -10.381 1.00 0.00 C ATOM 1566 CD LYS A 102 14.619 -7.226 -10.945 1.00 0.00 C ATOM 1567 CE LYS A 102 14.809 -6.570 -12.303 1.00 0.00 C ATOM 1568 NZ LYS A 102 13.528 -6.046 -12.850 1.00 0.00 N ATOM 0 H LYS A 102 15.920 -9.854 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 102 16.843 -7.399 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.432 -9.455 -9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.724 -9.061 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.560 -6.882 -10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.477 -8.279 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.919 -8.057 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.176 -6.510 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.527 -5.754 -12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.232 -7.294 -13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.700 -5.606 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.851 -6.828 -12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.136 -5.337 -12.198 1.00 0.00 H new ATOM 1582 N VAL A 103 13.741 -7.234 -6.928 1.00 0.00 N ATOM 1583 CA VAL A 103 12.626 -6.335 -6.669 1.00 0.00 C ATOM 1584 C VAL A 103 13.058 -5.150 -5.806 1.00 0.00 C ATOM 1585 O VAL A 103 12.958 -3.999 -6.227 1.00 0.00 O ATOM 1586 CB VAL A 103 11.478 -7.088 -5.968 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.485 -6.119 -5.343 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.776 -8.014 -6.949 1.00 0.00 C ATOM 0 H VAL A 103 13.644 -8.156 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 103 12.279 -5.957 -7.631 1.00 0.00 H new ATOM 0 HB VAL A 103 11.908 -7.689 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.687 -6.679 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.996 -5.500 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.060 -5.483 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.968 -8.539 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.366 -7.429 -7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.490 -8.739 -7.339 1.00 0.00 H new ATOM 1598 N ALA A 104 13.541 -5.443 -4.601 1.00 0.00 N ATOM 1599 CA ALA A 104 13.985 -4.408 -3.673 1.00 0.00 C ATOM 1600 C ALA A 104 15.096 -3.549 -4.272 1.00 0.00 C ATOM 1601 O ALA A 104 15.011 -2.320 -4.283 1.00 0.00 O ATOM 1602 CB ALA A 104 14.465 -5.043 -2.378 1.00 0.00 C ATOM 0 H ALA A 104 13.635 -6.394 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 104 13.134 -3.758 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.795 -4.264 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.649 -5.605 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.296 -5.716 -2.589 1.00 0.00 H new ATOM 1608 N VAL A 105 16.132 -4.211 -4.767 1.00 0.00 N ATOM 1609 CA VAL A 105 17.283 -3.533 -5.355 1.00 0.00 C ATOM 1610 C VAL A 105 16.893 -2.621 -6.520 1.00 0.00 C ATOM 1611 O VAL A 105 17.105 -1.410 -6.465 1.00 0.00 O ATOM 1612 CB VAL A 105 18.330 -4.550 -5.850 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.545 -3.838 -6.428 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.738 -5.487 -4.724 1.00 0.00 C ATOM 0 H VAL A 105 16.200 -5.229 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 105 17.708 -2.917 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 105 17.879 -5.145 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.270 -4.576 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.236 -3.215 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.000 -3.212 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.478 -6.198 -5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.167 -4.908 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.862 -6.028 -4.365 1.00 0.00 H new ATOM 1624 N ASN A 106 16.330 -3.209 -7.571 1.00 0.00 N ATOM 1625 CA ASN A 106 15.940 -2.450 -8.760 1.00 0.00 C ATOM 1626 C ASN A 106 14.939 -1.340 -8.443 1.00 0.00 C ATOM 1627 O ASN A 106 14.912 -0.315 -9.122 1.00 0.00 O ATOM 1628 CB ASN A 106 15.357 -3.384 -9.820 1.00 0.00 C ATOM 1629 CG ASN A 106 15.055 -2.664 -11.119 1.00 0.00 C ATOM 1630 OD1 ASN A 106 13.951 -2.154 -11.317 1.00 0.00 O ATOM 1631 ND2 ASN A 106 16.036 -2.619 -12.014 1.00 0.00 N ATOM 0 H ASN A 106 16.133 -4.208 -7.626 1.00 0.00 H new ATOM 0 HA ASN A 106 16.844 -1.977 -9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.059 -4.195 -10.012 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.443 -3.838 -9.438 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.890 -2.148 -12.907 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.935 -3.055 -11.808 1.00 0.00 H new ATOM 1638 N TYR A 107 14.111 -1.543 -7.422 1.00 0.00 N ATOM 1639 CA TYR A 107 13.118 -0.551 -7.051 1.00 0.00 C ATOM 1640 C TYR A 107 13.793 0.771 -6.685 1.00 0.00 C ATOM 1641 O TYR A 107 13.207 1.844 -6.830 1.00 0.00 O ATOM 1642 CB TYR A 107 12.262 -1.081 -5.899 1.00 0.00 C ATOM 1643 CG TYR A 107 11.606 -0.007 -5.068 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.701 0.887 -5.624 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.905 0.110 -3.726 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.112 1.871 -4.855 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.323 1.090 -2.947 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.426 1.969 -3.517 1.00 0.00 C ATOM 1649 OH TYR A 107 9.845 2.949 -2.747 1.00 0.00 O ATOM 0 H TYR A 107 14.111 -2.382 -6.842 1.00 0.00 H new ATOM 0 HA TYR A 107 12.464 -0.360 -7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.489 -1.732 -6.306 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.887 -1.695 -5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.454 0.812 -6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.607 -0.577 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.409 2.560 -5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.569 1.168 -1.898 1.00 0.00 H new ATOM 0 HH TYR A 107 10.539 3.426 -2.246 1.00 0.00 H new ATOM 1659 N LEU A 108 15.035 0.681 -6.223 1.00 0.00 N ATOM 1660 CA LEU A 108 15.800 1.860 -5.836 1.00 0.00 C ATOM 1661 C LEU A 108 15.976 2.821 -7.009 1.00 0.00 C ATOM 1662 O LEU A 108 16.093 4.031 -6.817 1.00 0.00 O ATOM 1663 CB LEU A 108 17.171 1.447 -5.298 1.00 0.00 C ATOM 1664 CG LEU A 108 17.201 1.018 -3.830 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.607 0.599 -3.430 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.705 2.143 -2.931 1.00 0.00 C ATOM 0 H LEU A 108 15.535 -0.200 -6.107 1.00 0.00 H new ATOM 0 HA LEU A 108 15.242 2.375 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.548 0.625 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.860 2.282 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 108 16.535 0.164 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.612 0.296 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.928 -0.237 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.290 1.437 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.734 1.818 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.344 3.017 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.681 2.401 -3.202 1.00 0.00 H new ATOM 1678 N GLU A 109 15.999 2.272 -8.222 1.00 0.00 N ATOM 1679 CA GLU A 109 16.165 3.081 -9.427 1.00 0.00 C ATOM 1680 C GLU A 109 15.151 4.221 -9.469 1.00 0.00 C ATOM 1681 O GLU A 109 15.390 5.254 -10.094 1.00 0.00 O ATOM 1682 CB GLU A 109 16.023 2.211 -10.676 1.00 0.00 C ATOM 1683 CG GLU A 109 17.045 1.088 -10.757 1.00 0.00 C ATOM 1684 CD GLU A 109 18.473 1.597 -10.783 1.00 0.00 C ATOM 1685 OE1 GLU A 109 18.945 1.989 -11.871 1.00 0.00 O ATOM 1686 OE2 GLU A 109 19.120 1.603 -9.715 1.00 0.00 O ATOM 0 H GLU A 109 15.905 1.271 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 109 17.166 3.513 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.021 1.781 -10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.118 2.841 -11.560 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.916 0.423 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.858 0.496 -11.653 1.00 0.00 H new ATOM 1693 N THR A 110 14.018 4.028 -8.798 1.00 0.00 N ATOM 1694 CA THR A 110 12.973 5.044 -8.755 1.00 0.00 C ATOM 1695 C THR A 110 12.998 5.799 -7.431 1.00 0.00 C ATOM 1696 O THR A 110 13.006 7.030 -7.407 1.00 0.00 O ATOM 1697 CB THR A 110 11.574 4.429 -8.950 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.325 3.444 -7.941 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.446 3.795 -10.327 1.00 0.00 C ATOM 0 H THR A 110 13.802 3.178 -8.278 1.00 0.00 H new ATOM 0 HA THR A 110 13.174 5.735 -9.574 1.00 0.00 H new ATOM 0 HB THR A 110 10.838 5.228 -8.866 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.130 2.901 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.449 3.368 -10.440 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.604 4.554 -11.093 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.192 3.008 -10.436 1.00 0.00 H new ATOM 1707 N HIS A 111 13.009 5.051 -6.332 1.00 0.00 N ATOM 1708 CA HIS A 111 13.029 5.645 -5.001 1.00 0.00 C ATOM 1709 C HIS A 111 13.938 4.853 -4.065 1.00 0.00 C ATOM 1710 O HIS A 111 15.123 5.226 -3.936 1.00 0.00 O ATOM 1711 CB HIS A 111 11.612 5.707 -4.426 1.00 0.00 C ATOM 1712 CG HIS A 111 10.728 6.698 -5.118 1.00 0.00 C ATOM 1713 ND1 HIS A 111 10.641 8.021 -4.738 1.00 0.00 N ATOM 1714 CD2 HIS A 111 9.889 6.555 -6.172 1.00 0.00 C ATOM 1715 CE1 HIS A 111 9.786 8.649 -5.526 1.00 0.00 C ATOM 1716 NE2 HIS A 111 9.316 7.781 -6.404 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.458 3.865 -3.469 1.00 0.00 O ATOM 0 H HIS A 111 13.004 4.031 -6.338 1.00 0.00 H new ATOM 0 HA HIS A 111 13.422 6.658 -5.088 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.158 4.718 -4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.669 5.960 -3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 111 9.705 5.646 -6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 111 9.517 9.693 -5.463 1.00 0.00 H new ATOM 0 HE2 HIS A 111 8.637 7.988 -7.136 1.00 0.00 H new TER 1726 HIS A 111