USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.00053) USER MOD Single : A 12 GLN : amide:sc= 0.893 K(o=0.89,f=-0.0036) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= 1.08 (180deg=1.01) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.27) USER MOD Single : A 15 HIS : no HD1:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 70:sc= 0.6 USER MOD Single : A 25 TYR OH : rot -126:sc= -1.87! USER MOD Single : A 26 THR OG1 : rot -53:sc= 0.648 USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= 1.26 (180deg=1.09) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -5.16! (180deg=-5.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00289 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -91:sc= 1.2 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -68:sc= 0.847 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -5.87! K(o=-5.9!,f=0.044) USER MOD Single : A 61 GLN : amide:sc= -3.59! C(o=-3.6!,f=-1.7!) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.628 -2.854 -0.778 1.00 0.00 N ATOM 2 CA ASN A 5 18.062 -3.273 0.490 1.00 0.00 C ATOM 3 C ASN A 5 16.705 -2.630 0.675 1.00 0.00 C ATOM 4 O ASN A 5 15.787 -3.237 1.221 1.00 0.00 O ATOM 5 CB ASN A 5 18.997 -2.919 1.647 1.00 0.00 C ATOM 6 CG ASN A 5 18.396 -3.259 2.992 1.00 0.00 C ATOM 7 OD1 ASN A 5 17.830 -2.396 3.666 1.00 0.00 O ATOM 8 ND2 ASN A 5 18.495 -4.521 3.377 1.00 0.00 N ATOM 0 HA ASN A 5 17.942 -4.356 0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.939 -3.453 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 5 19.228 -1.854 1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 5 18.093 -4.816 4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 5 18.973 -5.199 2.784 1.00 0.00 H new ATOM 15 N GLU A 6 16.567 -1.407 0.179 1.00 0.00 N ATOM 16 CA GLU A 6 15.277 -0.741 0.208 1.00 0.00 C ATOM 17 C GLU A 6 14.362 -1.366 -0.831 1.00 0.00 C ATOM 18 O GLU A 6 13.145 -1.335 -0.700 1.00 0.00 O ATOM 19 CB GLU A 6 15.393 0.786 0.030 1.00 0.00 C ATOM 20 CG GLU A 6 16.418 1.273 -0.994 1.00 0.00 C ATOM 21 CD GLU A 6 16.236 0.678 -2.368 1.00 0.00 C ATOM 22 OE1 GLU A 6 15.294 1.080 -3.075 1.00 0.00 O ATOM 23 OE2 GLU A 6 17.041 -0.198 -2.738 1.00 0.00 O ATOM 0 H GLU A 6 17.322 -0.865 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 6 14.841 -0.886 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.414 1.172 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.640 1.225 0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.357 2.359 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.419 1.034 -0.634 1.00 0.00 H new ATOM 30 N ARG A 7 14.969 -1.958 -1.848 1.00 0.00 N ATOM 31 CA ARG A 7 14.244 -2.739 -2.829 1.00 0.00 C ATOM 32 C ARG A 7 13.644 -3.976 -2.168 1.00 0.00 C ATOM 33 O ARG A 7 12.484 -4.320 -2.393 1.00 0.00 O ATOM 34 CB ARG A 7 15.178 -3.136 -3.976 1.00 0.00 C ATOM 35 CG ARG A 7 15.471 -2.000 -4.946 1.00 0.00 C ATOM 36 CD ARG A 7 14.206 -1.230 -5.302 1.00 0.00 C ATOM 37 NE ARG A 7 14.355 -0.441 -6.527 1.00 0.00 N ATOM 38 CZ ARG A 7 14.360 0.893 -6.566 1.00 0.00 C ATOM 39 NH1 ARG A 7 14.387 1.601 -5.445 1.00 0.00 N ATOM 40 NH2 ARG A 7 14.383 1.517 -7.737 1.00 0.00 N ATOM 0 H ARG A 7 15.974 -1.909 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 7 13.432 -2.138 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.118 -3.498 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.733 -3.966 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 7 16.199 -1.321 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.921 -2.402 -5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.380 -1.931 -5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.943 -0.568 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 7 14.462 -0.944 -7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.404 1.126 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.391 2.620 -5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.397 0.977 -8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.387 2.536 -7.772 1.00 0.00 H new ATOM 54 N ARG A 8 14.450 -4.629 -1.338 1.00 0.00 N ATOM 55 CA ARG A 8 14.002 -5.774 -0.554 1.00 0.00 C ATOM 56 C ARG A 8 12.897 -5.356 0.419 1.00 0.00 C ATOM 57 O ARG A 8 11.896 -6.059 0.586 1.00 0.00 O ATOM 58 CB ARG A 8 15.209 -6.371 0.188 1.00 0.00 C ATOM 59 CG ARG A 8 14.878 -7.448 1.212 1.00 0.00 C ATOM 60 CD ARG A 8 16.152 -8.086 1.752 1.00 0.00 C ATOM 61 NE ARG A 8 15.919 -8.902 2.944 1.00 0.00 N ATOM 62 CZ ARG A 8 16.341 -10.162 3.081 1.00 0.00 C ATOM 63 NH1 ARG A 8 16.925 -10.792 2.067 1.00 0.00 N ATOM 64 NH2 ARG A 8 16.172 -10.797 4.232 1.00 0.00 N ATOM 0 H ARG A 8 15.428 -4.381 -1.190 1.00 0.00 H new ATOM 0 HA ARG A 8 13.582 -6.534 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.895 -6.791 -0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.739 -5.564 0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.307 -7.014 2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.249 -8.211 0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.599 -8.706 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.872 -7.303 1.989 1.00 0.00 H new ATOM 0 HE ARG A 8 15.403 -8.483 3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.054 -10.313 1.176 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.244 -11.754 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.719 -10.324 5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.494 -11.759 4.336 1.00 0.00 H new ATOM 78 N ILE A 9 13.072 -4.194 1.033 1.00 0.00 N ATOM 79 CA ILE A 9 12.089 -3.656 1.960 1.00 0.00 C ATOM 80 C ILE A 9 10.797 -3.280 1.235 1.00 0.00 C ATOM 81 O ILE A 9 9.699 -3.563 1.716 1.00 0.00 O ATOM 82 CB ILE A 9 12.660 -2.418 2.680 1.00 0.00 C ATOM 83 CG1 ILE A 9 13.772 -2.829 3.641 1.00 0.00 C ATOM 84 CG2 ILE A 9 11.573 -1.645 3.417 1.00 0.00 C ATOM 85 CD1 ILE A 9 14.526 -1.650 4.211 1.00 0.00 C ATOM 0 H ILE A 9 13.893 -3.603 0.903 1.00 0.00 H new ATOM 0 HA ILE A 9 11.860 -4.429 2.694 1.00 0.00 H new ATOM 0 HB ILE A 9 13.077 -1.755 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.342 -3.408 4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.471 -3.483 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.014 -0.780 3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.818 -1.310 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.108 -2.291 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.303 -2.007 4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.983 -1.084 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.837 -1.007 4.759 1.00 0.00 H new ATOM 97 N LEU A 10 10.943 -2.640 0.084 1.00 0.00 N ATOM 98 CA LEU A 10 9.813 -2.188 -0.710 1.00 0.00 C ATOM 99 C LEU A 10 8.900 -3.348 -1.099 1.00 0.00 C ATOM 100 O LEU A 10 7.683 -3.213 -1.068 1.00 0.00 O ATOM 101 CB LEU A 10 10.333 -1.481 -1.959 1.00 0.00 C ATOM 102 CG LEU A 10 9.290 -0.727 -2.779 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.700 0.406 -1.955 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.921 -0.194 -4.057 1.00 0.00 C ATOM 0 H LEU A 10 11.851 -2.420 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 10 9.221 -1.496 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.109 -0.777 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.807 -2.222 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 10 8.485 -1.409 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.957 0.939 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.227 -0.002 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.493 1.095 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.170 0.343 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.737 0.483 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.308 -1.026 -4.646 1.00 0.00 H new ATOM 116 N GLU A 11 9.491 -4.482 -1.460 1.00 0.00 N ATOM 117 CA GLU A 11 8.715 -5.662 -1.845 1.00 0.00 C ATOM 118 C GLU A 11 8.017 -6.275 -0.634 1.00 0.00 C ATOM 119 O GLU A 11 6.868 -6.720 -0.722 1.00 0.00 O ATOM 120 CB GLU A 11 9.629 -6.692 -2.510 1.00 0.00 C ATOM 121 CG GLU A 11 10.164 -6.245 -3.858 1.00 0.00 C ATOM 122 CD GLU A 11 9.090 -6.212 -4.923 1.00 0.00 C ATOM 123 OE1 GLU A 11 8.763 -7.289 -5.464 1.00 0.00 O ATOM 124 OE2 GLU A 11 8.567 -5.119 -5.224 1.00 0.00 O ATOM 0 H GLU A 11 10.502 -4.612 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 11 7.948 -5.354 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.468 -6.903 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.080 -7.625 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.605 -5.253 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.961 -6.919 -4.171 1.00 0.00 H new ATOM 131 N GLN A 12 8.719 -6.302 0.494 1.00 0.00 N ATOM 132 CA GLN A 12 8.124 -6.727 1.754 1.00 0.00 C ATOM 133 C GLN A 12 6.917 -5.856 2.092 1.00 0.00 C ATOM 134 O GLN A 12 5.851 -6.363 2.453 1.00 0.00 O ATOM 135 CB GLN A 12 9.160 -6.654 2.879 1.00 0.00 C ATOM 136 CG GLN A 12 8.572 -6.754 4.284 1.00 0.00 C ATOM 137 CD GLN A 12 7.947 -8.105 4.592 1.00 0.00 C ATOM 138 OE1 GLN A 12 8.619 -9.018 5.066 1.00 0.00 O ATOM 139 NE2 GLN A 12 6.652 -8.238 4.345 1.00 0.00 N ATOM 0 H GLN A 12 9.701 -6.034 0.560 1.00 0.00 H new ATOM 0 HA GLN A 12 7.790 -7.759 1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.884 -7.458 2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.707 -5.715 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.358 -6.553 5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.817 -5.978 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.125 -7.458 3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.182 -9.120 4.549 1.00 0.00 H new ATOM 148 N LYS A 13 7.089 -4.547 1.975 1.00 0.00 N ATOM 149 CA LYS A 13 6.008 -3.621 2.263 1.00 0.00 C ATOM 150 C LYS A 13 4.926 -3.704 1.194 1.00 0.00 C ATOM 151 O LYS A 13 3.753 -3.528 1.489 1.00 0.00 O ATOM 152 CB LYS A 13 6.530 -2.186 2.407 1.00 0.00 C ATOM 153 CG LYS A 13 6.482 -1.673 3.845 1.00 0.00 C ATOM 154 CD LYS A 13 7.523 -2.341 4.739 1.00 0.00 C ATOM 155 CE LYS A 13 7.369 -1.928 6.200 1.00 0.00 C ATOM 156 NZ LYS A 13 6.185 -2.559 6.842 1.00 0.00 N ATOM 0 H LYS A 13 7.962 -4.106 1.684 1.00 0.00 H new ATOM 0 HA LYS A 13 5.565 -3.909 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.557 -2.141 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.940 -1.525 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.643 -0.595 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.488 -1.848 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.431 -3.424 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.522 -2.079 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.268 -2.204 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.278 -0.844 6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.826 -1.938 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.441 -2.706 6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.459 -3.475 7.251 1.00 0.00 H new ATOM 170 N LYS A 14 5.326 -3.995 -0.040 1.00 0.00 N ATOM 171 CA LYS A 14 4.383 -4.178 -1.133 1.00 0.00 C ATOM 172 C LYS A 14 3.318 -5.209 -0.760 1.00 0.00 C ATOM 173 O LYS A 14 2.118 -4.938 -0.845 1.00 0.00 O ATOM 174 CB LYS A 14 5.128 -4.636 -2.384 1.00 0.00 C ATOM 175 CG LYS A 14 4.312 -4.486 -3.652 1.00 0.00 C ATOM 176 CD LYS A 14 5.103 -4.889 -4.882 1.00 0.00 C ATOM 177 CE LYS A 14 5.745 -3.690 -5.569 1.00 0.00 C ATOM 178 NZ LYS A 14 6.605 -4.116 -6.701 1.00 0.00 N ATOM 0 H LYS A 14 6.304 -4.109 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 14 3.890 -3.226 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.049 -4.061 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.416 -5.681 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.414 -5.099 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.985 -3.451 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.878 -5.601 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.444 -5.399 -5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.968 -3.017 -5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.340 -3.130 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.015 -3.278 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.369 -4.725 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.034 -4.644 -7.391 1.00 0.00 H new ATOM 192 N HIS A 15 3.762 -6.379 -0.307 1.00 0.00 N ATOM 193 CA HIS A 15 2.835 -7.427 0.099 1.00 0.00 C ATOM 194 C HIS A 15 2.065 -7.011 1.350 1.00 0.00 C ATOM 195 O HIS A 15 0.862 -7.224 1.436 1.00 0.00 O ATOM 196 CB HIS A 15 3.570 -8.761 0.333 1.00 0.00 C ATOM 197 CG HIS A 15 2.702 -9.847 0.921 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.183 -10.792 1.800 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.383 -10.134 0.751 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.202 -11.607 2.151 1.00 0.00 C ATOM 201 NE2 HIS A 15 1.102 -11.230 1.529 1.00 0.00 N ATOM 0 H HIS A 15 4.748 -6.622 -0.213 1.00 0.00 H new ATOM 0 HA HIS A 15 2.122 -7.575 -0.712 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.978 -9.110 -0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.415 -8.586 0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.687 -9.600 0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.288 -12.441 2.832 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.190 -11.680 1.612 1.00 0.00 H new ATOM 210 N TYR A 16 2.751 -6.400 2.304 1.00 0.00 N ATOM 211 CA TYR A 16 2.135 -6.075 3.583 1.00 0.00 C ATOM 212 C TYR A 16 1.139 -4.919 3.455 1.00 0.00 C ATOM 213 O TYR A 16 0.146 -4.872 4.175 1.00 0.00 O ATOM 214 CB TYR A 16 3.206 -5.749 4.624 1.00 0.00 C ATOM 215 CG TYR A 16 2.901 -6.315 5.991 1.00 0.00 C ATOM 216 CD1 TYR A 16 1.811 -7.151 6.178 1.00 0.00 C ATOM 217 CD2 TYR A 16 3.706 -6.031 7.086 1.00 0.00 C ATOM 218 CE1 TYR A 16 1.525 -7.686 7.413 1.00 0.00 C ATOM 219 CE2 TYR A 16 3.426 -6.564 8.331 1.00 0.00 C ATOM 220 CZ TYR A 16 2.335 -7.393 8.486 1.00 0.00 C ATOM 221 OH TYR A 16 2.048 -7.932 9.720 1.00 0.00 O ATOM 0 H TYR A 16 3.728 -6.120 2.219 1.00 0.00 H new ATOM 0 HA TYR A 16 1.578 -6.952 3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.165 -6.138 4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.311 -4.667 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.174 -7.387 5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.563 -5.385 6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.669 -8.333 7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.057 -6.333 9.176 1.00 0.00 H new ATOM 0 HH TYR A 16 2.714 -7.630 10.372 1.00 0.00 H new ATOM 231 N PHE A 17 1.384 -4.003 2.527 1.00 0.00 N ATOM 232 CA PHE A 17 0.463 -2.899 2.291 1.00 0.00 C ATOM 233 C PHE A 17 -0.737 -3.401 1.513 1.00 0.00 C ATOM 234 O PHE A 17 -1.821 -2.853 1.622 1.00 0.00 O ATOM 235 CB PHE A 17 1.148 -1.773 1.527 1.00 0.00 C ATOM 236 CG PHE A 17 0.274 -0.572 1.325 1.00 0.00 C ATOM 237 CD1 PHE A 17 -0.194 0.132 2.418 1.00 0.00 C ATOM 238 CD2 PHE A 17 -0.080 -0.149 0.049 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.999 1.241 2.253 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.887 0.958 -0.121 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.343 1.659 0.983 1.00 0.00 C ATOM 0 H PHE A 17 2.209 -4.002 1.928 1.00 0.00 H new ATOM 0 HA PHE A 17 0.136 -2.504 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.047 -1.473 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.469 -2.147 0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.073 -0.189 3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.278 -0.690 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.359 1.781 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.163 1.278 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.966 2.531 0.851 1.00 0.00 H new ATOM 251 N TRP A 18 -0.534 -4.456 0.734 1.00 0.00 N ATOM 252 CA TRP A 18 -1.648 -5.125 0.055 1.00 0.00 C ATOM 253 C TRP A 18 -2.418 -5.898 1.110 1.00 0.00 C ATOM 254 O TRP A 18 -3.627 -6.029 1.051 1.00 0.00 O ATOM 255 CB TRP A 18 -1.137 -6.075 -1.044 1.00 0.00 C ATOM 256 CG TRP A 18 -2.169 -6.642 -2.013 1.00 0.00 C ATOM 257 CD1 TRP A 18 -1.911 -7.626 -2.928 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.571 -6.290 -2.210 1.00 0.00 C ATOM 259 NE1 TRP A 18 -3.032 -7.910 -3.663 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.057 -7.120 -3.246 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.470 -5.377 -1.628 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.368 -7.066 -3.705 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.781 -5.328 -2.101 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.210 -6.170 -3.124 1.00 0.00 C ATOM 0 H TRP A 18 0.382 -4.868 0.554 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.289 -4.390 -0.433 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.384 -5.544 -1.626 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.634 -6.912 -0.560 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.955 -8.112 -3.054 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.089 -8.606 -4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.150 -4.725 -0.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.707 -7.715 -4.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.476 -4.625 -1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.234 -6.110 -3.463 1.00 0.00 H new ATOM 275 N LEU A 19 -1.689 -6.345 2.122 1.00 0.00 N ATOM 276 CA LEU A 19 -2.276 -7.086 3.225 1.00 0.00 C ATOM 277 C LEU A 19 -3.099 -6.110 4.057 1.00 0.00 C ATOM 278 O LEU A 19 -4.184 -6.416 4.524 1.00 0.00 O ATOM 279 CB LEU A 19 -1.164 -7.749 4.065 1.00 0.00 C ATOM 280 CG LEU A 19 -1.607 -8.929 4.934 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.455 -9.900 5.153 1.00 0.00 C ATOM 282 CD2 LEU A 19 -2.127 -8.429 6.268 1.00 0.00 C ATOM 0 H LEU A 19 -0.682 -6.205 2.200 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.923 -7.883 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.379 -8.092 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.721 -6.991 4.711 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.408 -9.456 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.792 -10.731 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.112 -10.281 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.366 -9.384 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.439 -9.277 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.338 -7.882 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.978 -7.768 6.102 1.00 0.00 H new ATOM 294 N LEU A 20 -2.556 -4.917 4.177 1.00 0.00 N ATOM 295 CA LEU A 20 -3.192 -3.788 4.856 1.00 0.00 C ATOM 296 C LEU A 20 -4.379 -3.252 4.039 1.00 0.00 C ATOM 297 O LEU A 20 -5.470 -3.052 4.578 1.00 0.00 O ATOM 298 CB LEU A 20 -2.104 -2.715 5.033 1.00 0.00 C ATOM 299 CG LEU A 20 -2.382 -1.553 5.985 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.551 -0.688 5.534 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.594 -2.088 7.390 1.00 0.00 C ATOM 0 H LEU A 20 -1.636 -4.691 3.798 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.598 -4.089 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.197 -3.214 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.887 -2.296 4.050 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.510 -0.898 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.702 0.121 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.336 -0.269 4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.454 -1.296 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.792 -1.259 8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.443 -2.772 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.699 -2.618 7.716 1.00 0.00 H new ATOM 313 N LEU A 21 -4.158 -3.018 2.747 1.00 0.00 N ATOM 314 CA LEU A 21 -5.158 -2.443 1.870 1.00 0.00 C ATOM 315 C LEU A 21 -6.285 -3.461 1.640 1.00 0.00 C ATOM 316 O LEU A 21 -7.445 -3.090 1.496 1.00 0.00 O ATOM 317 CB LEU A 21 -4.443 -2.031 0.568 1.00 0.00 C ATOM 318 CG LEU A 21 -5.096 -0.950 -0.321 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.618 -0.988 -0.295 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.576 0.409 0.092 1.00 0.00 C ATOM 0 H LEU A 21 -3.273 -3.225 2.283 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.627 -1.560 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.445 -1.683 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.317 -2.928 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.818 -1.157 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.013 -0.203 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.964 -1.958 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.969 -0.830 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.032 1.178 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.827 0.592 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.493 0.437 -0.032 1.00 0.00 H new ATOM 332 N GLN A 22 -5.943 -4.748 1.650 1.00 0.00 N ATOM 333 CA GLN A 22 -6.946 -5.813 1.537 1.00 0.00 C ATOM 334 C GLN A 22 -7.661 -6.020 2.871 1.00 0.00 C ATOM 335 O GLN A 22 -8.862 -6.290 2.908 1.00 0.00 O ATOM 336 CB GLN A 22 -6.287 -7.127 1.108 1.00 0.00 C ATOM 337 CG GLN A 22 -7.247 -8.304 1.006 1.00 0.00 C ATOM 338 CD GLN A 22 -6.526 -9.616 0.768 1.00 0.00 C ATOM 339 OE1 GLN A 22 -6.158 -10.314 1.711 1.00 0.00 O ATOM 340 NE2 GLN A 22 -6.311 -9.959 -0.491 1.00 0.00 N ATOM 0 H GLN A 22 -4.983 -5.081 1.735 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.673 -5.512 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.806 -6.980 0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.500 -7.375 1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.831 -8.374 1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.951 -8.126 0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.632 -9.353 -1.246 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.825 -10.829 -0.707 1.00 0.00 H new ATOM 349 N ARG A 23 -6.904 -5.916 3.959 1.00 0.00 N ATOM 350 CA ARG A 23 -7.452 -6.030 5.307 1.00 0.00 C ATOM 351 C ARG A 23 -8.535 -4.985 5.506 1.00 0.00 C ATOM 352 O ARG A 23 -9.604 -5.264 6.049 1.00 0.00 O ATOM 353 CB ARG A 23 -6.324 -5.846 6.327 1.00 0.00 C ATOM 354 CG ARG A 23 -6.695 -6.165 7.759 1.00 0.00 C ATOM 355 CD ARG A 23 -6.974 -4.918 8.543 1.00 0.00 C ATOM 356 NE ARG A 23 -6.062 -3.850 8.185 1.00 0.00 N ATOM 357 CZ ARG A 23 -6.234 -2.614 8.573 1.00 0.00 C ATOM 358 NH1 ARG A 23 -7.227 -2.293 9.396 1.00 0.00 N ATOM 359 NH2 ARG A 23 -5.403 -1.710 8.151 1.00 0.00 N ATOM 0 H ARG A 23 -5.898 -5.751 3.932 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.895 -7.016 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.485 -6.478 6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.977 -4.814 6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.574 -6.810 7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.884 -6.720 8.231 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.000 -4.597 8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.887 -5.130 9.609 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.252 -4.072 7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.865 -3.015 9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.351 -1.325 9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.637 -1.971 7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.516 -0.738 8.440 1.00 0.00 H new ATOM 373 N THR A 24 -8.250 -3.781 5.049 1.00 0.00 N ATOM 374 CA THR A 24 -9.221 -2.712 5.099 1.00 0.00 C ATOM 375 C THR A 24 -10.263 -2.887 4.000 1.00 0.00 C ATOM 376 O THR A 24 -11.450 -3.068 4.277 1.00 0.00 O ATOM 377 CB THR A 24 -8.549 -1.340 4.942 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.424 -1.238 5.822 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.540 -0.230 5.246 1.00 0.00 C ATOM 0 H THR A 24 -7.353 -3.521 4.639 1.00 0.00 H new ATOM 0 HA THR A 24 -9.705 -2.756 6.074 1.00 0.00 H new ATOM 0 HB THR A 24 -8.207 -1.237 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.707 -1.826 5.506 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.050 0.737 5.131 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.382 -0.295 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.901 -0.334 6.269 1.00 0.00 H new ATOM 387 N TYR A 25 -9.806 -2.851 2.753 1.00 0.00 N ATOM 388 CA TYR A 25 -10.695 -2.938 1.608 1.00 0.00 C ATOM 389 C TYR A 25 -10.545 -4.302 0.937 1.00 0.00 C ATOM 390 O TYR A 25 -9.736 -4.473 0.015 1.00 0.00 O ATOM 391 CB TYR A 25 -10.395 -1.826 0.593 1.00 0.00 C ATOM 392 CG TYR A 25 -10.307 -0.426 1.180 1.00 0.00 C ATOM 393 CD1 TYR A 25 -11.107 -0.027 2.245 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.421 0.505 0.652 1.00 0.00 C ATOM 395 CE1 TYR A 25 -11.022 1.250 2.763 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.335 1.785 1.165 1.00 0.00 C ATOM 397 CZ TYR A 25 -10.136 2.150 2.216 1.00 0.00 C ATOM 398 OH TYR A 25 -10.047 3.424 2.716 1.00 0.00 O ATOM 0 H TYR A 25 -8.819 -2.762 2.512 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.719 -2.815 1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.453 -2.054 0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.171 -1.835 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.807 -0.728 2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.787 0.223 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.648 1.541 3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.640 2.494 0.740 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.166 4.070 1.989 1.00 0.00 H new ATOM 408 N THR A 26 -11.306 -5.268 1.427 1.00 0.00 N ATOM 409 CA THR A 26 -11.220 -6.641 0.953 1.00 0.00 C ATOM 410 C THR A 26 -12.042 -6.842 -0.321 1.00 0.00 C ATOM 411 O THR A 26 -12.333 -5.891 -1.039 1.00 0.00 O ATOM 412 CB THR A 26 -11.728 -7.602 2.042 1.00 0.00 C ATOM 413 OG1 THR A 26 -11.634 -6.960 3.319 1.00 0.00 O ATOM 414 CG2 THR A 26 -10.909 -8.886 2.068 1.00 0.00 C ATOM 0 H THR A 26 -11.998 -5.124 2.162 1.00 0.00 H new ATOM 0 HA THR A 26 -10.175 -6.853 0.727 1.00 0.00 H new ATOM 0 HB THR A 26 -12.764 -7.857 1.819 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.721 -6.630 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.291 -9.546 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.984 -9.385 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.865 -8.648 2.274 1.00 0.00 H new ATOM 422 N LYS A 27 -12.382 -8.094 -0.614 1.00 0.00 N ATOM 423 CA LYS A 27 -13.230 -8.408 -1.755 1.00 0.00 C ATOM 424 C LYS A 27 -14.653 -7.937 -1.496 1.00 0.00 C ATOM 425 O LYS A 27 -15.197 -7.119 -2.233 1.00 0.00 O ATOM 426 CB LYS A 27 -13.251 -9.915 -2.016 1.00 0.00 C ATOM 427 CG LYS A 27 -12.065 -10.665 -1.436 1.00 0.00 C ATOM 428 CD LYS A 27 -12.059 -12.109 -1.907 1.00 0.00 C ATOM 429 CE LYS A 27 -10.819 -12.859 -1.450 1.00 0.00 C ATOM 430 NZ LYS A 27 -10.795 -14.250 -1.974 1.00 0.00 N ATOM 0 H LYS A 27 -12.082 -8.907 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.822 -7.896 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.168 -10.331 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.283 -10.085 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.138 -10.176 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.105 -10.633 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.947 -12.616 -1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.116 -12.134 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.928 -12.328 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.787 -12.880 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.826 -14.496 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.114 -14.906 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.428 -14.322 -2.796 1.00 0.00 H new ATOM 444 N THR A 28 -15.244 -8.469 -0.436 1.00 0.00 N ATOM 445 CA THR A 28 -16.626 -8.177 -0.101 1.00 0.00 C ATOM 446 C THR A 28 -16.716 -7.133 1.018 1.00 0.00 C ATOM 447 O THR A 28 -17.677 -6.367 1.080 1.00 0.00 O ATOM 448 CB THR A 28 -17.366 -9.473 0.313 1.00 0.00 C ATOM 449 OG1 THR A 28 -18.756 -9.216 0.547 1.00 0.00 O ATOM 450 CG2 THR A 28 -16.740 -10.083 1.561 1.00 0.00 C ATOM 0 H THR A 28 -14.782 -9.109 0.210 1.00 0.00 H new ATOM 0 HA THR A 28 -17.107 -7.764 -0.988 1.00 0.00 H new ATOM 0 HB THR A 28 -17.272 -10.182 -0.510 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.204 -10.049 0.806 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.278 -10.992 1.831 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.696 -10.325 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.798 -9.370 2.383 1.00 0.00 H new ATOM 458 N GLY A 29 -15.710 -7.118 1.903 1.00 0.00 N ATOM 459 CA GLY A 29 -15.673 -6.188 3.001 1.00 0.00 C ATOM 460 C GLY A 29 -15.855 -4.740 2.580 1.00 0.00 C ATOM 461 O GLY A 29 -16.940 -4.171 2.722 1.00 0.00 O ATOM 0 H GLY A 29 -14.912 -7.752 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.454 -6.451 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.720 -6.289 3.520 1.00 0.00 H new ATOM 465 N LYS A 30 -14.789 -4.141 2.074 1.00 0.00 N ATOM 466 CA LYS A 30 -14.836 -2.773 1.585 1.00 0.00 C ATOM 467 C LYS A 30 -14.351 -2.705 0.143 1.00 0.00 C ATOM 468 O LYS A 30 -13.295 -3.244 -0.186 1.00 0.00 O ATOM 469 CB LYS A 30 -13.984 -1.859 2.475 1.00 0.00 C ATOM 470 CG LYS A 30 -14.599 -1.602 3.836 1.00 0.00 C ATOM 471 CD LYS A 30 -15.913 -0.856 3.694 1.00 0.00 C ATOM 472 CE LYS A 30 -16.675 -0.801 5.003 1.00 0.00 C ATOM 473 NZ LYS A 30 -17.963 -0.075 4.853 1.00 0.00 N ATOM 0 H LYS A 30 -13.874 -4.585 1.991 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.870 -2.430 1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.000 -2.308 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.834 -0.907 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.765 -2.548 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.909 -1.022 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.719 0.158 3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.527 -1.343 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.866 -1.814 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.065 -0.309 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.459 -0.056 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.778 0.899 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.555 -0.560 4.148 1.00 0.00 H new ATOM 487 N PRO A 31 -15.119 -2.047 -0.736 1.00 0.00 N ATOM 488 CA PRO A 31 -14.744 -1.882 -2.140 1.00 0.00 C ATOM 489 C PRO A 31 -13.433 -1.122 -2.280 1.00 0.00 C ATOM 490 O PRO A 31 -13.202 -0.143 -1.566 1.00 0.00 O ATOM 491 CB PRO A 31 -15.890 -1.055 -2.733 1.00 0.00 C ATOM 492 CG PRO A 31 -17.027 -1.232 -1.788 1.00 0.00 C ATOM 493 CD PRO A 31 -16.406 -1.405 -0.433 1.00 0.00 C ATOM 0 HA PRO A 31 -14.596 -2.840 -2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.612 -0.005 -2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.151 -1.403 -3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.690 -0.367 -1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.628 -2.101 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.270 -0.449 0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.023 -2.025 0.217 1.00 0.00 H new ATOM 501 N LYS A 32 -12.572 -1.589 -3.177 1.00 0.00 N ATOM 502 CA LYS A 32 -11.321 -0.911 -3.471 1.00 0.00 C ATOM 503 C LYS A 32 -11.607 0.407 -4.189 1.00 0.00 C ATOM 504 O LYS A 32 -12.096 0.408 -5.320 1.00 0.00 O ATOM 505 CB LYS A 32 -10.422 -1.838 -4.301 1.00 0.00 C ATOM 506 CG LYS A 32 -9.081 -1.245 -4.701 1.00 0.00 C ATOM 507 CD LYS A 32 -7.961 -2.256 -4.508 1.00 0.00 C ATOM 508 CE LYS A 32 -7.686 -2.506 -3.029 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.731 -3.341 -2.362 1.00 0.00 N ATOM 0 H LYS A 32 -12.722 -2.442 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.793 -0.674 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.243 -2.750 -3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.959 -2.126 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.115 -0.929 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.880 -0.355 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.228 -3.195 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.054 -1.894 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.719 -2.997 -2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.614 -1.548 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.383 -3.656 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.596 -2.778 -2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.942 -4.171 -2.953 1.00 0.00 H new ATOM 523 N PRO A 33 -11.366 1.538 -3.486 1.00 0.00 N ATOM 524 CA PRO A 33 -11.656 2.897 -3.948 1.00 0.00 C ATOM 525 C PRO A 33 -11.452 3.141 -5.437 1.00 0.00 C ATOM 526 O PRO A 33 -10.553 2.579 -6.069 1.00 0.00 O ATOM 527 CB PRO A 33 -10.682 3.757 -3.138 1.00 0.00 C ATOM 528 CG PRO A 33 -10.130 2.889 -2.076 1.00 0.00 C ATOM 529 CD PRO A 33 -10.833 1.588 -2.127 1.00 0.00 C ATOM 0 HA PRO A 33 -12.713 3.122 -3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.886 4.144 -3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.193 4.618 -2.707 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.059 2.748 -2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.262 3.354 -1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.154 0.758 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.627 1.532 -1.383 1.00 0.00 H new ATOM 537 N SER A 34 -12.281 4.030 -5.969 1.00 0.00 N ATOM 538 CA SER A 34 -12.244 4.375 -7.374 1.00 0.00 C ATOM 539 C SER A 34 -11.033 5.253 -7.639 1.00 0.00 C ATOM 540 O SER A 34 -10.459 5.253 -8.727 1.00 0.00 O ATOM 541 CB SER A 34 -13.533 5.110 -7.737 1.00 0.00 C ATOM 542 OG SER A 34 -14.643 4.513 -7.082 1.00 0.00 O ATOM 0 H SER A 34 -12.994 4.528 -5.436 1.00 0.00 H new ATOM 0 HA SER A 34 -12.165 3.476 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.454 6.159 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.682 5.085 -8.816 1.00 0.00 H new ATOM 0 HG SER A 34 -15.462 4.995 -7.322 1.00 0.00 H new ATOM 548 N THR A 35 -10.651 5.981 -6.606 1.00 0.00 N ATOM 549 CA THR A 35 -9.523 6.889 -6.666 1.00 0.00 C ATOM 550 C THR A 35 -8.696 6.767 -5.392 1.00 0.00 C ATOM 551 O THR A 35 -9.247 6.580 -4.303 1.00 0.00 O ATOM 552 CB THR A 35 -10.003 8.339 -6.827 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.072 8.403 -7.784 1.00 0.00 O ATOM 554 CG2 THR A 35 -8.857 9.226 -7.278 1.00 0.00 C ATOM 0 H THR A 35 -11.117 5.958 -5.699 1.00 0.00 H new ATOM 0 HA THR A 35 -8.911 6.624 -7.528 1.00 0.00 H new ATOM 0 HB THR A 35 -10.366 8.693 -5.862 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.372 9.331 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.212 10.251 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.060 9.196 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.476 8.869 -8.235 1.00 0.00 H new ATOM 562 N TRP A 36 -7.381 6.880 -5.523 1.00 0.00 N ATOM 563 CA TRP A 36 -6.487 6.738 -4.379 1.00 0.00 C ATOM 564 C TRP A 36 -6.649 7.912 -3.401 1.00 0.00 C ATOM 565 O TRP A 36 -6.278 7.809 -2.237 1.00 0.00 O ATOM 566 CB TRP A 36 -5.037 6.562 -4.853 1.00 0.00 C ATOM 567 CG TRP A 36 -3.988 6.804 -3.806 1.00 0.00 C ATOM 568 CD1 TRP A 36 -3.060 7.808 -3.797 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.759 6.035 -2.617 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.258 7.701 -2.687 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.672 6.626 -1.944 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.364 4.904 -2.055 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -2.183 6.125 -0.745 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.874 4.410 -0.862 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.794 5.020 -0.219 1.00 0.00 C ATOM 0 H TRP A 36 -6.909 7.069 -6.407 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.760 5.837 -3.829 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.918 5.549 -5.237 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.859 7.242 -5.687 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.971 8.574 -4.553 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.482 8.320 -2.454 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.199 4.426 -2.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.348 6.592 -0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.333 3.538 -0.419 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.434 4.610 0.713 1.00 0.00 H new ATOM 586 N ASP A 37 -7.252 9.005 -3.868 1.00 0.00 N ATOM 587 CA ASP A 37 -7.512 10.173 -3.017 1.00 0.00 C ATOM 588 C ASP A 37 -8.416 9.822 -1.841 1.00 0.00 C ATOM 589 O ASP A 37 -8.093 10.105 -0.688 1.00 0.00 O ATOM 590 CB ASP A 37 -8.170 11.292 -3.827 1.00 0.00 C ATOM 591 CG ASP A 37 -8.668 12.428 -2.947 1.00 0.00 C ATOM 592 OD1 ASP A 37 -7.838 13.221 -2.454 1.00 0.00 O ATOM 593 OD2 ASP A 37 -9.898 12.536 -2.753 1.00 0.00 O ATOM 0 H ASP A 37 -7.571 9.109 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.549 10.508 -2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.454 11.683 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.005 10.883 -4.395 1.00 0.00 H new ATOM 598 N LEU A 38 -9.545 9.188 -2.133 1.00 0.00 N ATOM 599 CA LEU A 38 -10.491 8.826 -1.088 1.00 0.00 C ATOM 600 C LEU A 38 -9.963 7.633 -0.308 1.00 0.00 C ATOM 601 O LEU A 38 -10.276 7.452 0.871 1.00 0.00 O ATOM 602 CB LEU A 38 -11.877 8.523 -1.673 1.00 0.00 C ATOM 603 CG LEU A 38 -11.898 7.513 -2.824 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.903 6.405 -2.553 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.231 8.211 -4.131 1.00 0.00 C ATOM 0 H LEU A 38 -9.825 8.917 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.600 9.673 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.517 8.150 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.317 9.457 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.907 7.067 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.900 5.700 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.632 5.884 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.899 6.835 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.242 7.481 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.211 8.682 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.479 8.972 -4.339 1.00 0.00 H new ATOM 617 N ALA A 39 -9.125 6.844 -0.971 1.00 0.00 N ATOM 618 CA ALA A 39 -8.523 5.679 -0.351 1.00 0.00 C ATOM 619 C ALA A 39 -7.577 6.106 0.738 1.00 0.00 C ATOM 620 O ALA A 39 -7.707 5.690 1.876 1.00 0.00 O ATOM 621 CB ALA A 39 -7.758 4.879 -1.383 1.00 0.00 C ATOM 0 H ALA A 39 -8.849 6.994 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.316 5.063 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.310 4.006 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.439 4.554 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.973 5.500 -1.816 1.00 0.00 H new ATOM 627 N SER A 40 -6.656 6.981 0.381 1.00 0.00 N ATOM 628 CA SER A 40 -5.644 7.442 1.307 1.00 0.00 C ATOM 629 C SER A 40 -6.250 8.302 2.410 1.00 0.00 C ATOM 630 O SER A 40 -5.767 8.306 3.542 1.00 0.00 O ATOM 631 CB SER A 40 -4.569 8.213 0.557 1.00 0.00 C ATOM 632 OG SER A 40 -5.133 9.217 -0.269 1.00 0.00 O ATOM 0 H SER A 40 -6.590 7.388 -0.552 1.00 0.00 H new ATOM 0 HA SER A 40 -5.192 6.571 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.883 8.670 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.984 7.525 -0.053 1.00 0.00 H new ATOM 0 HG SER A 40 -5.295 8.852 -1.164 1.00 0.00 H new ATOM 638 N LYS A 41 -7.318 9.015 2.077 1.00 0.00 N ATOM 639 CA LYS A 41 -8.003 9.861 3.046 1.00 0.00 C ATOM 640 C LYS A 41 -8.580 9.019 4.178 1.00 0.00 C ATOM 641 O LYS A 41 -8.465 9.375 5.350 1.00 0.00 O ATOM 642 CB LYS A 41 -9.113 10.661 2.362 1.00 0.00 C ATOM 643 CG LYS A 41 -9.893 11.571 3.297 1.00 0.00 C ATOM 644 CD LYS A 41 -10.903 12.401 2.527 1.00 0.00 C ATOM 645 CE LYS A 41 -10.229 13.116 1.369 1.00 0.00 C ATOM 646 NZ LYS A 41 -11.093 14.157 0.754 1.00 0.00 N ATOM 0 H LYS A 41 -7.729 9.025 1.143 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.279 10.558 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.674 11.265 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.806 9.967 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.406 10.972 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.205 12.229 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.700 11.759 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.367 13.130 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.306 13.577 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.951 12.386 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.583 14.612 -0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.963 13.717 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.338 14.872 1.469 1.00 0.00 H new ATOM 660 N GLU A 42 -9.190 7.899 3.813 1.00 0.00 N ATOM 661 CA GLU A 42 -9.781 6.996 4.787 1.00 0.00 C ATOM 662 C GLU A 42 -8.690 6.109 5.403 1.00 0.00 C ATOM 663 O GLU A 42 -8.734 5.763 6.587 1.00 0.00 O ATOM 664 CB GLU A 42 -10.841 6.131 4.097 1.00 0.00 C ATOM 665 CG GLU A 42 -11.907 5.587 5.030 1.00 0.00 C ATOM 666 CD GLU A 42 -12.892 6.652 5.468 1.00 0.00 C ATOM 667 OE1 GLU A 42 -12.612 7.358 6.455 1.00 0.00 O ATOM 668 OE2 GLU A 42 -13.958 6.785 4.822 1.00 0.00 O ATOM 0 H GLU A 42 -9.288 7.595 2.844 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.252 7.573 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.323 6.721 3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.346 5.295 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.446 4.781 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.430 5.154 5.909 1.00 0.00 H new ATOM 675 N LEU A 43 -7.704 5.774 4.572 1.00 0.00 N ATOM 676 CA LEU A 43 -6.613 4.871 4.932 1.00 0.00 C ATOM 677 C LEU A 43 -5.718 5.458 6.019 1.00 0.00 C ATOM 678 O LEU A 43 -5.267 4.734 6.911 1.00 0.00 O ATOM 679 CB LEU A 43 -5.763 4.578 3.689 1.00 0.00 C ATOM 680 CG LEU A 43 -5.289 3.128 3.523 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.661 2.593 4.802 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.444 2.242 3.085 1.00 0.00 C ATOM 0 H LEU A 43 -7.640 6.127 3.617 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.058 3.955 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.340 4.854 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.886 5.225 3.712 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.521 3.116 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.338 1.564 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.801 3.207 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.394 2.624 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.093 1.216 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.233 2.274 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.836 2.599 2.133 1.00 0.00 H new ATOM 694 N GLY A 44 -5.460 6.761 5.931 1.00 0.00 N ATOM 695 CA GLY A 44 -4.478 7.391 6.794 1.00 0.00 C ATOM 696 C GLY A 44 -4.729 7.172 8.272 1.00 0.00 C ATOM 697 O GLY A 44 -5.513 7.893 8.892 1.00 0.00 O ATOM 0 H GLY A 44 -5.917 7.393 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.489 7.008 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.466 8.462 6.592 1.00 0.00 H new ATOM 701 N GLU A 45 -4.031 6.170 8.811 1.00 0.00 N ATOM 702 CA GLU A 45 -4.115 5.755 10.188 1.00 0.00 C ATOM 703 C GLU A 45 -3.418 4.409 10.329 1.00 0.00 C ATOM 704 O GLU A 45 -2.600 4.210 11.230 1.00 0.00 O ATOM 705 CB GLU A 45 -5.561 5.656 10.685 1.00 0.00 C ATOM 706 CG GLU A 45 -5.672 5.299 12.157 1.00 0.00 C ATOM 707 CD GLU A 45 -7.102 5.272 12.638 1.00 0.00 C ATOM 708 OE1 GLU A 45 -7.807 4.285 12.347 1.00 0.00 O ATOM 709 OE2 GLU A 45 -7.523 6.238 13.312 1.00 0.00 O ATOM 0 H GLU A 45 -3.371 5.613 8.269 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.626 6.510 10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.063 6.608 10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.089 4.906 10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.216 4.323 12.326 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.107 6.021 12.746 1.00 0.00 H new ATOM 716 N SER A 46 -3.723 3.495 9.408 1.00 0.00 N ATOM 717 CA SER A 46 -3.043 2.213 9.366 1.00 0.00 C ATOM 718 C SER A 46 -1.611 2.433 8.892 1.00 0.00 C ATOM 719 O SER A 46 -1.376 2.867 7.760 1.00 0.00 O ATOM 720 CB SER A 46 -3.785 1.240 8.447 1.00 0.00 C ATOM 721 OG SER A 46 -5.118 1.019 8.886 1.00 0.00 O ATOM 0 H SER A 46 -4.433 3.623 8.687 1.00 0.00 H new ATOM 0 HA SER A 46 -3.027 1.771 10.362 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.797 1.635 7.431 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.250 0.291 8.414 1.00 0.00 H new ATOM 0 HG SER A 46 -5.106 0.525 9.732 1.00 0.00 H new ATOM 727 N LEU A 47 -0.659 2.129 9.764 1.00 0.00 N ATOM 728 CA LEU A 47 0.721 2.565 9.592 1.00 0.00 C ATOM 729 C LEU A 47 1.428 1.920 8.404 1.00 0.00 C ATOM 730 O LEU A 47 2.538 2.327 8.065 1.00 0.00 O ATOM 731 CB LEU A 47 1.571 2.366 10.874 1.00 0.00 C ATOM 732 CG LEU A 47 1.146 1.282 11.891 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.168 1.629 12.578 1.00 0.00 C ATOM 734 CD2 LEU A 47 1.067 -0.081 11.227 1.00 0.00 C ATOM 0 H LEU A 47 -0.820 1.576 10.606 1.00 0.00 H new ATOM 0 HA LEU A 47 0.640 3.632 9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.591 2.143 10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.600 3.319 11.401 1.00 0.00 H new ATOM 0 HG LEU A 47 1.914 1.244 12.664 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.429 0.841 13.284 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.061 2.573 13.112 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.956 1.722 11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.766 -0.827 11.962 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.335 -0.051 10.420 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.043 -0.345 10.821 1.00 0.00 H new ATOM 746 N GLU A 48 0.797 0.969 7.723 1.00 0.00 N ATOM 747 CA GLU A 48 1.459 0.351 6.591 1.00 0.00 C ATOM 748 C GLU A 48 1.359 1.270 5.384 1.00 0.00 C ATOM 749 O GLU A 48 2.169 1.202 4.467 1.00 0.00 O ATOM 750 CB GLU A 48 0.777 -0.977 6.269 1.00 0.00 C ATOM 751 CG GLU A 48 1.642 -1.959 5.514 1.00 0.00 C ATOM 752 CD GLU A 48 2.954 -2.271 6.202 1.00 0.00 C ATOM 753 OE1 GLU A 48 2.955 -2.533 7.423 1.00 0.00 O ATOM 754 OE2 GLU A 48 3.997 -2.249 5.521 1.00 0.00 O ATOM 0 H GLU A 48 -0.140 0.622 7.929 1.00 0.00 H new ATOM 0 HA GLU A 48 2.507 0.177 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.453 -1.440 7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.120 -0.777 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.086 -2.886 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.849 -1.559 4.522 1.00 0.00 H new ATOM 761 N TYR A 49 0.440 2.223 5.442 1.00 0.00 N ATOM 762 CA TYR A 49 0.384 3.234 4.400 1.00 0.00 C ATOM 763 C TYR A 49 1.334 4.362 4.756 1.00 0.00 C ATOM 764 O TYR A 49 1.711 5.174 3.913 1.00 0.00 O ATOM 765 CB TYR A 49 -1.069 3.704 4.190 1.00 0.00 C ATOM 766 CG TYR A 49 -1.292 5.196 4.051 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.147 5.832 2.821 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.710 5.956 5.135 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.406 7.186 2.687 1.00 0.00 C ATOM 770 CE2 TYR A 49 -1.960 7.311 5.009 1.00 0.00 C ATOM 771 CZ TYR A 49 -1.815 7.919 3.784 1.00 0.00 C ATOM 772 OH TYR A 49 -2.091 9.261 3.649 1.00 0.00 O ATOM 0 H TYR A 49 -0.259 2.317 6.179 1.00 0.00 H new ATOM 0 HA TYR A 49 0.709 2.821 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.457 3.218 3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.666 3.348 5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.829 5.262 1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.843 5.480 6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.288 7.667 1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.267 7.888 5.868 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.367 9.627 4.515 1.00 0.00 H new ATOM 782 N LYS A 50 1.776 4.358 6.013 1.00 0.00 N ATOM 783 CA LYS A 50 2.825 5.256 6.456 1.00 0.00 C ATOM 784 C LYS A 50 4.176 4.623 6.177 1.00 0.00 C ATOM 785 O LYS A 50 5.222 5.268 6.278 1.00 0.00 O ATOM 786 CB LYS A 50 2.658 5.558 7.944 1.00 0.00 C ATOM 787 CG LYS A 50 2.721 7.034 8.276 1.00 0.00 C ATOM 788 CD LYS A 50 2.728 7.266 9.774 1.00 0.00 C ATOM 789 CE LYS A 50 1.647 6.459 10.475 1.00 0.00 C ATOM 790 NZ LYS A 50 1.535 6.839 11.911 1.00 0.00 N ATOM 0 H LYS A 50 1.418 3.738 6.740 1.00 0.00 H new ATOM 0 HA LYS A 50 2.761 6.198 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.701 5.159 8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.436 5.036 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.618 7.469 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.867 7.545 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.703 6.996 10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.580 8.326 9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.690 6.620 9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.874 5.396 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.790 6.272 12.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.442 6.663 12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.295 7.848 11.985 1.00 0.00 H new ATOM 804 N ALA A 51 4.136 3.354 5.780 1.00 0.00 N ATOM 805 CA ALA A 51 5.343 2.626 5.427 1.00 0.00 C ATOM 806 C ALA A 51 5.771 2.984 4.019 1.00 0.00 C ATOM 807 O ALA A 51 6.848 2.605 3.563 1.00 0.00 O ATOM 808 CB ALA A 51 5.110 1.130 5.546 1.00 0.00 C ATOM 0 H ALA A 51 3.277 2.811 5.696 1.00 0.00 H new ATOM 0 HA ALA A 51 6.139 2.907 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.023 0.597 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.834 0.885 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.306 0.832 4.873 1.00 0.00 H new ATOM 814 N LEU A 52 4.935 3.760 3.353 1.00 0.00 N ATOM 815 CA LEU A 52 5.210 4.181 1.997 1.00 0.00 C ATOM 816 C LEU A 52 5.041 5.682 1.887 1.00 0.00 C ATOM 817 O LEU A 52 4.717 6.205 0.822 1.00 0.00 O ATOM 818 CB LEU A 52 4.281 3.492 1.004 1.00 0.00 C ATOM 819 CG LEU A 52 4.237 1.971 1.069 1.00 0.00 C ATOM 820 CD1 LEU A 52 3.253 1.460 0.051 1.00 0.00 C ATOM 821 CD2 LEU A 52 5.606 1.369 0.818 1.00 0.00 C ATOM 0 H LEU A 52 4.057 4.111 3.734 1.00 0.00 H new ATOM 0 HA LEU A 52 6.236 3.902 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.271 3.871 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.579 3.784 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 52 3.923 1.674 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.218 0.371 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.264 1.864 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.564 1.774 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.541 0.282 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.957 1.664 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.305 1.728 1.573 1.00 0.00 H new ATOM 833 N GLY A 53 5.267 6.371 2.995 1.00 0.00 N ATOM 834 CA GLY A 53 5.216 7.819 2.987 1.00 0.00 C ATOM 835 C GLY A 53 6.371 8.414 2.207 1.00 0.00 C ATOM 836 O GLY A 53 6.306 9.554 1.757 1.00 0.00 O ATOM 0 H GLY A 53 5.485 5.954 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.273 8.148 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.239 8.190 4.012 1.00 0.00 H new ATOM 840 N ASP A 54 7.402 7.607 2.001 1.00 0.00 N ATOM 841 CA ASP A 54 8.621 8.055 1.339 1.00 0.00 C ATOM 842 C ASP A 54 8.709 7.372 -0.013 1.00 0.00 C ATOM 843 O ASP A 54 9.662 7.531 -0.776 1.00 0.00 O ATOM 844 CB ASP A 54 9.829 7.707 2.211 1.00 0.00 C ATOM 845 CG ASP A 54 11.103 8.406 1.786 1.00 0.00 C ATOM 846 OD1 ASP A 54 11.102 9.653 1.697 1.00 0.00 O ATOM 847 OD2 ASP A 54 12.123 7.713 1.593 1.00 0.00 O ATOM 0 H ASP A 54 7.418 6.628 2.286 1.00 0.00 H new ATOM 0 HA ASP A 54 8.609 9.135 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.608 7.970 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.989 6.629 2.183 1.00 0.00 H new ATOM 852 N GLU A 55 7.662 6.619 -0.284 1.00 0.00 N ATOM 853 CA GLU A 55 7.525 5.839 -1.491 1.00 0.00 C ATOM 854 C GLU A 55 6.088 5.976 -1.957 1.00 0.00 C ATOM 855 O GLU A 55 5.391 5.004 -2.256 1.00 0.00 O ATOM 856 CB GLU A 55 7.916 4.393 -1.204 1.00 0.00 C ATOM 857 CG GLU A 55 8.376 3.657 -2.439 1.00 0.00 C ATOM 858 CD GLU A 55 9.188 4.539 -3.377 1.00 0.00 C ATOM 859 OE1 GLU A 55 8.591 5.402 -4.060 1.00 0.00 O ATOM 860 OE2 GLU A 55 10.420 4.373 -3.447 1.00 0.00 O ATOM 0 H GLU A 55 6.865 6.533 0.347 1.00 0.00 H new ATOM 0 HA GLU A 55 8.185 6.190 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.712 4.377 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.064 3.870 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.977 2.798 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.507 3.270 -2.971 1.00 0.00 H new ATOM 867 N ASP A 56 5.674 7.236 -2.007 1.00 0.00 N ATOM 868 CA ASP A 56 4.297 7.618 -2.281 1.00 0.00 C ATOM 869 C ASP A 56 3.815 7.067 -3.611 1.00 0.00 C ATOM 870 O ASP A 56 2.790 6.397 -3.660 1.00 0.00 O ATOM 871 CB ASP A 56 4.187 9.145 -2.289 1.00 0.00 C ATOM 872 CG ASP A 56 2.783 9.659 -2.522 1.00 0.00 C ATOM 873 OD1 ASP A 56 2.199 9.377 -3.583 1.00 0.00 O ATOM 874 OD2 ASP A 56 2.264 10.361 -1.629 1.00 0.00 O ATOM 0 H ASP A 56 6.295 8.031 -1.856 1.00 0.00 H new ATOM 0 HA ASP A 56 3.667 7.197 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.551 9.530 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.842 9.542 -3.065 1.00 0.00 H new ATOM 879 N ASN A 57 4.589 7.293 -4.677 1.00 0.00 N ATOM 880 CA ASN A 57 4.130 6.979 -6.026 1.00 0.00 C ATOM 881 C ASN A 57 3.999 5.479 -6.171 1.00 0.00 C ATOM 882 O ASN A 57 3.139 4.975 -6.894 1.00 0.00 O ATOM 883 CB ASN A 57 5.073 7.565 -7.099 1.00 0.00 C ATOM 884 CG ASN A 57 6.528 7.112 -6.996 1.00 0.00 C ATOM 885 OD1 ASN A 57 7.216 6.996 -8.011 1.00 0.00 O ATOM 886 ND2 ASN A 57 7.015 6.865 -5.788 1.00 0.00 N ATOM 0 H ASN A 57 5.528 7.689 -4.629 1.00 0.00 H new ATOM 0 HA ASN A 57 3.155 7.440 -6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.692 7.293 -8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.041 8.653 -7.034 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.985 6.570 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.419 6.970 -4.967 1.00 0.00 H new ATOM 893 N ILE A 58 4.838 4.774 -5.438 1.00 0.00 N ATOM 894 CA ILE A 58 4.744 3.341 -5.357 1.00 0.00 C ATOM 895 C ILE A 58 3.408 2.925 -4.746 1.00 0.00 C ATOM 896 O ILE A 58 2.656 2.182 -5.361 1.00 0.00 O ATOM 897 CB ILE A 58 5.932 2.755 -4.556 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.110 2.486 -5.493 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.547 1.473 -3.825 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.547 3.667 -6.319 1.00 0.00 C ATOM 0 H ILE A 58 5.596 5.180 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 58 4.794 2.936 -6.368 1.00 0.00 H new ATOM 0 HB ILE A 58 6.220 3.491 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.957 2.144 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.842 1.671 -6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.409 1.095 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.735 1.681 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.221 0.725 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.387 3.378 -6.951 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.719 3.999 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.852 4.480 -5.659 1.00 0.00 H new ATOM 912 N ARG A 59 3.082 3.489 -3.585 1.00 0.00 N ATOM 913 CA ARG A 59 1.893 3.092 -2.826 1.00 0.00 C ATOM 914 C ARG A 59 0.597 3.369 -3.585 1.00 0.00 C ATOM 915 O ARG A 59 -0.257 2.489 -3.685 1.00 0.00 O ATOM 916 CB ARG A 59 1.912 3.778 -1.465 1.00 0.00 C ATOM 917 CG ARG A 59 0.621 4.435 -1.046 1.00 0.00 C ATOM 918 CD ARG A 59 0.780 5.112 0.285 1.00 0.00 C ATOM 919 NE ARG A 59 1.826 6.134 0.258 1.00 0.00 N ATOM 920 CZ ARG A 59 1.579 7.435 0.309 1.00 0.00 C ATOM 921 NH1 ARG A 59 0.337 7.879 0.227 1.00 0.00 N ATOM 922 NH2 ARG A 59 2.579 8.295 0.397 1.00 0.00 N ATOM 0 H ARG A 59 3.629 4.229 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 59 1.923 2.012 -2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.184 3.040 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.698 4.533 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.317 5.164 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.171 3.688 -0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.166 5.569 0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.020 4.368 1.044 1.00 0.00 H new ATOM 0 HE ARG A 59 2.797 5.829 0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.435 7.220 0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.150 8.881 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.541 7.957 0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.389 9.296 0.436 1.00 0.00 H new ATOM 936 N ARG A 60 0.450 4.577 -4.115 1.00 0.00 N ATOM 937 CA ARG A 60 -0.704 4.900 -4.952 1.00 0.00 C ATOM 938 C ARG A 60 -0.817 3.908 -6.109 1.00 0.00 C ATOM 939 O ARG A 60 -1.908 3.409 -6.418 1.00 0.00 O ATOM 940 CB ARG A 60 -0.601 6.335 -5.489 1.00 0.00 C ATOM 941 CG ARG A 60 0.828 6.770 -5.762 1.00 0.00 C ATOM 942 CD ARG A 60 0.942 8.119 -6.450 1.00 0.00 C ATOM 943 NE ARG A 60 -0.279 8.929 -6.367 1.00 0.00 N ATOM 944 CZ ARG A 60 -0.290 10.202 -5.985 1.00 0.00 C ATOM 945 NH1 ARG A 60 0.791 10.741 -5.435 1.00 0.00 N ATOM 946 NH2 ARG A 60 -1.397 10.917 -6.095 1.00 0.00 N ATOM 0 H ARG A 60 1.108 5.345 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.602 4.826 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.180 6.414 -6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.051 7.019 -4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.372 6.808 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.315 6.016 -6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.767 8.675 -6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.192 7.962 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.166 8.492 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.632 10.178 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.781 11.718 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.243 10.492 -6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.404 11.894 -5.802 1.00 0.00 H new ATOM 960 N GLN A 61 0.323 3.592 -6.713 1.00 0.00 N ATOM 961 CA GLN A 61 0.339 2.736 -7.879 1.00 0.00 C ATOM 962 C GLN A 61 -0.060 1.303 -7.525 1.00 0.00 C ATOM 963 O GLN A 61 -0.887 0.705 -8.218 1.00 0.00 O ATOM 964 CB GLN A 61 1.717 2.753 -8.543 1.00 0.00 C ATOM 965 CG GLN A 61 1.687 2.263 -9.979 1.00 0.00 C ATOM 966 CD GLN A 61 0.509 2.845 -10.739 1.00 0.00 C ATOM 967 OE1 GLN A 61 -0.018 2.231 -11.662 1.00 0.00 O ATOM 968 NE2 GLN A 61 0.087 4.039 -10.349 1.00 0.00 N ATOM 0 H GLN A 61 1.241 3.917 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.395 3.126 -8.584 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.114 3.768 -8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.400 2.130 -7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.616 2.539 -10.478 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.629 1.175 -9.992 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.552 4.517 -9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.703 4.480 -10.821 1.00 0.00 H new ATOM 977 N ILE A 62 0.516 0.742 -6.452 1.00 0.00 N ATOM 978 CA ILE A 62 0.180 -0.631 -6.080 1.00 0.00 C ATOM 979 C ILE A 62 -1.281 -0.720 -5.689 1.00 0.00 C ATOM 980 O ILE A 62 -1.963 -1.653 -6.084 1.00 0.00 O ATOM 981 CB ILE A 62 1.011 -1.242 -4.922 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.243 -0.433 -4.579 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.443 -2.642 -5.306 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.720 -0.666 -3.163 1.00 0.00 C ATOM 0 H ILE A 62 1.195 1.203 -5.846 1.00 0.00 H new ATOM 0 HA ILE A 62 0.416 -1.210 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 62 0.369 -1.247 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.044 -0.686 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.026 0.627 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.028 -3.077 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.562 -3.257 -5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.050 -2.600 -6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.606 -0.060 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.932 -0.387 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.966 -1.720 -3.031 1.00 0.00 H new ATOM 996 N PHE A 63 -1.759 0.267 -4.927 1.00 0.00 N ATOM 997 CA PHE A 63 -3.148 0.285 -4.488 1.00 0.00 C ATOM 998 C PHE A 63 -4.095 0.083 -5.659 1.00 0.00 C ATOM 999 O PHE A 63 -4.974 -0.784 -5.626 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.489 1.592 -3.778 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.953 1.917 -3.837 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.871 1.131 -3.163 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.422 2.984 -4.593 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.219 1.394 -3.245 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.776 3.247 -4.664 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.667 2.452 -3.995 1.00 0.00 C ATOM 0 H PHE A 63 -1.203 1.059 -4.605 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.272 -0.539 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.177 1.527 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.922 2.405 -4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.525 0.301 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.724 3.611 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.924 0.768 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.133 4.082 -5.249 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.725 2.658 -4.058 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.896 0.876 -6.694 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.757 0.819 -7.864 1.00 0.00 C ATOM 1018 C GLU A 64 -4.619 -0.536 -8.558 1.00 0.00 C ATOM 1019 O GLU A 64 -5.605 -1.138 -8.981 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.410 1.958 -8.826 1.00 0.00 C ATOM 1021 CG GLU A 64 -5.630 2.624 -9.446 1.00 0.00 C ATOM 1022 CD GLU A 64 -6.423 1.698 -10.346 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -6.058 1.565 -11.535 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -7.422 1.110 -9.878 1.00 0.00 O ATOM 0 H GLU A 64 -3.148 1.567 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.793 0.937 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.828 2.709 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.775 1.570 -9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.279 2.991 -8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.309 3.492 -10.021 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.391 -1.027 -8.621 1.00 0.00 N ATOM 1032 CA ASP A 65 -3.074 -2.260 -9.338 1.00 0.00 C ATOM 1033 C ASP A 65 -3.407 -3.510 -8.512 1.00 0.00 C ATOM 1034 O ASP A 65 -3.368 -4.629 -9.028 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.587 -2.255 -9.725 1.00 0.00 C ATOM 1036 CG ASP A 65 -1.169 -3.489 -10.499 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -1.547 -3.610 -11.685 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -0.457 -4.343 -9.929 1.00 0.00 O ATOM 0 H ASP A 65 -2.585 -0.586 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.691 -2.298 -10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.377 -1.369 -10.324 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.983 -2.179 -8.821 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.749 -3.324 -7.235 1.00 0.00 N ATOM 1044 CA PHE A 66 -3.917 -4.446 -6.321 1.00 0.00 C ATOM 1045 C PHE A 66 -4.940 -5.455 -6.821 1.00 0.00 C ATOM 1046 O PHE A 66 -4.622 -6.631 -7.001 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.372 -3.936 -4.952 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.279 -3.458 -4.033 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -1.973 -3.894 -4.176 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.580 -2.589 -2.996 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -0.990 -3.465 -3.303 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.603 -2.158 -2.124 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.306 -2.598 -2.276 1.00 0.00 C ATOM 0 H PHE A 66 -3.914 -2.409 -6.816 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.950 -4.944 -6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.075 -3.117 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.918 -4.735 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.720 -4.574 -4.976 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.596 -2.244 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.027 -3.809 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.854 -1.477 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.538 -2.265 -1.593 1.00 0.00 H new ATOM 1063 N LYS A 67 -6.142 -4.963 -7.086 1.00 0.00 N ATOM 1064 CA LYS A 67 -7.264 -5.786 -7.537 1.00 0.00 C ATOM 1065 C LYS A 67 -7.609 -6.894 -6.539 1.00 0.00 C ATOM 1066 O LYS A 67 -6.878 -7.871 -6.387 1.00 0.00 O ATOM 1067 CB LYS A 67 -6.985 -6.388 -8.913 1.00 0.00 C ATOM 1068 CG LYS A 67 -7.325 -5.479 -10.086 1.00 0.00 C ATOM 1069 CD LYS A 67 -7.536 -4.031 -9.672 1.00 0.00 C ATOM 1070 CE LYS A 67 -7.565 -3.114 -10.887 1.00 0.00 C ATOM 1071 NZ LYS A 67 -7.767 -1.688 -10.520 1.00 0.00 N ATOM 0 H LYS A 67 -6.372 -3.973 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.127 -5.124 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.929 -6.654 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.553 -7.313 -9.012 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.522 -5.528 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.227 -5.847 -10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.472 -3.940 -9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.737 -3.722 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.629 -3.215 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.364 -3.430 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.661 -1.093 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.721 -1.563 -10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.060 -1.409 -9.810 1.00 0.00 H new ATOM 1085 N PRO A 68 -8.738 -6.731 -5.840 1.00 0.00 N ATOM 1086 CA PRO A 68 -9.251 -7.714 -4.871 1.00 0.00 C ATOM 1087 C PRO A 68 -9.458 -9.118 -5.442 1.00 0.00 C ATOM 1088 O PRO A 68 -9.191 -9.378 -6.617 1.00 0.00 O ATOM 1089 CB PRO A 68 -10.594 -7.112 -4.455 1.00 0.00 C ATOM 1090 CG PRO A 68 -10.402 -5.650 -4.654 1.00 0.00 C ATOM 1091 CD PRO A 68 -9.600 -5.542 -5.911 1.00 0.00 C ATOM 0 HA PRO A 68 -8.540 -7.867 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.411 -7.495 -5.066 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.834 -7.347 -3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.358 -5.134 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.879 -5.201 -3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.233 -5.552 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.019 -4.620 -5.944 1.00 0.00 H new ATOM 1099 N GLU A 69 -9.984 -9.994 -4.579 1.00 0.00 N ATOM 1100 CA GLU A 69 -10.137 -11.425 -4.849 1.00 0.00 C ATOM 1101 C GLU A 69 -8.791 -12.138 -4.735 1.00 0.00 C ATOM 1102 O GLU A 69 -8.017 -12.135 -5.715 1.00 0.00 O ATOM 1103 CB GLU A 69 -10.783 -11.702 -6.214 1.00 0.00 C ATOM 1104 CG GLU A 69 -11.250 -13.142 -6.383 1.00 0.00 C ATOM 1105 CD GLU A 69 -12.331 -13.523 -5.389 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -13.516 -13.219 -5.645 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -12.008 -14.131 -4.346 1.00 0.00 O ATOM 1108 OXT GLU A 69 -8.514 -12.691 -3.648 1.00 0.00 O ATOM 0 H GLU A 69 -10.321 -9.721 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.815 -11.821 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.634 -11.034 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.067 -11.466 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.627 -13.282 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.399 -13.813 -6.264 1.00 0.00 H new TER 1115 GLU A 69