USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 815 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 66 GLN : amide:sc= 0.247 K(o=0.56,f=-0.41) USER MOD Set 1.2: A 68 THR OG1 : rot -71:sc= 0.312 USER MOD Set 2.1: A 57 LYS NZ :NH3+ -138:sc= -1.41 (180deg=-0.301) USER MOD Set 2.2: A 59 HIS : no HD1:sc= -0.829 K(o=-2.2,f=0.85) USER MOD Set 3.1: A 41 SER OG : rot -41:sc= 0.364 USER MOD Set 3.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 38 LYS NZ :NH3+ -153:sc= -0.727 (180deg=-1.57) USER MOD Set 4.2: A 74 GLN : amide:sc= 0 K(o=-0.73,f=-2.5!) USER MOD Set 5.1: A 7 SER OG : rot 25:sc= -0.202 USER MOD Set 5.2: A 25 GLN : amide:sc= -4.32 K(o=-4.5,f=-5.3!) USER MOD Single : A 1 ARG N :NH3+ 152:sc= 0.846 (180deg=-0.155!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.155 USER MOD Single : A 9 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.24) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.5 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.932) USER MOD Single : A 17 SER OG : rot -78:sc= 0.809 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 17:sc= 0.0558 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= -0.875 (180deg=-0.88) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc=-0.000897 (180deg=-0.353) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.111) USER MOD Single : A 54 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.99) USER MOD Single : A 56 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.5) USER MOD Single : A 64 HIS : no HE2:sc= 0.202 K(o=0.2,f=-2.3!) USER MOD Single : A 69 MET CE :methyl 175:sc= -0.567 (180deg=-0.589) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.0778! C(o=0.078!,f=-8!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 106:sc= -0.555 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.113 USER MOD Single : A 93 MET CE :methyl -157:sc= -1.06 (180deg=-2.32!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0591 K(o=-0.059,f=-1.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.476 22.176 -6.538 1.00 0.00 N ATOM 2 CA ARG A 1 2.554 20.861 -7.235 1.00 0.00 C ATOM 3 C ARG A 1 3.997 20.364 -7.199 1.00 0.00 C ATOM 4 O ARG A 1 4.781 20.640 -8.106 1.00 0.00 O ATOM 5 CB ARG A 1 2.078 21.034 -8.687 1.00 0.00 C ATOM 6 CG ARG A 1 1.608 19.687 -9.270 1.00 0.00 C ATOM 7 CD ARG A 1 0.162 19.391 -8.844 1.00 0.00 C ATOM 8 NE ARG A 1 -0.348 18.226 -9.558 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.644 17.930 -9.548 1.00 0.00 C ATOM 10 NH1 ARG A 1 -2.480 18.690 -8.893 1.00 0.00 N ATOM 11 NH2 ARG A 1 -2.081 16.880 -10.189 1.00 0.00 N ATOM 0 H1 ARG A 1 1.692 22.733 -6.934 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.312 22.022 -5.523 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.369 22.692 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 1 1.916 20.129 -6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.263 21.756 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.888 21.436 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.675 19.712 -10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.265 18.887 -8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 1 0.121 19.214 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -0.469 20.256 -9.048 1.00 0.00 H new ATOM 0 HE ARG A 1 0.300 17.629 -10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.138 19.509 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -3.475 18.465 -8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.428 16.285 -10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -3.076 16.654 -10.180 1.00 0.00 H new ATOM 25 N GLU A 2 4.343 19.638 -6.135 1.00 0.00 N ATOM 26 CA GLU A 2 5.697 19.109 -5.971 1.00 0.00 C ATOM 27 C GLU A 2 5.655 17.728 -5.290 1.00 0.00 C ATOM 28 O GLU A 2 5.448 17.647 -4.081 1.00 0.00 O ATOM 29 CB GLU A 2 6.532 20.080 -5.118 1.00 0.00 C ATOM 30 CG GLU A 2 5.688 20.652 -3.972 1.00 0.00 C ATOM 31 CD GLU A 2 6.532 21.614 -3.146 1.00 0.00 C ATOM 32 OE1 GLU A 2 7.740 21.598 -3.308 1.00 0.00 O ATOM 33 OE2 GLU A 2 5.959 22.359 -2.367 1.00 0.00 O ATOM 0 H GLU A 2 3.705 19.403 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 2 6.153 19.002 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.402 19.562 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.906 20.892 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.816 21.169 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.318 19.844 -3.341 1.00 0.00 H new ATOM 40 N PRO A 3 5.856 16.639 -6.011 1.00 0.00 N ATOM 41 CA PRO A 3 5.844 15.285 -5.430 1.00 0.00 C ATOM 42 C PRO A 3 7.269 14.833 -5.165 1.00 0.00 C ATOM 43 O PRO A 3 8.188 15.654 -5.161 1.00 0.00 O ATOM 44 CB PRO A 3 5.209 14.464 -6.542 1.00 0.00 C ATOM 45 CG PRO A 3 5.766 15.069 -7.798 1.00 0.00 C ATOM 46 CD PRO A 3 6.128 16.536 -7.457 1.00 0.00 C ATOM 0 HA PRO A 3 5.315 15.204 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.468 13.409 -6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.121 14.528 -6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.646 14.521 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.035 15.028 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.172 16.754 -7.684 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.524 17.240 -8.029 1.00 0.00 H new ATOM 54 N SER A 4 7.470 13.545 -4.961 1.00 0.00 N ATOM 55 CA SER A 4 8.819 13.064 -4.724 1.00 0.00 C ATOM 56 C SER A 4 8.861 11.531 -4.714 1.00 0.00 C ATOM 57 O SER A 4 7.821 10.875 -4.637 1.00 0.00 O ATOM 58 CB SER A 4 9.332 13.639 -3.391 1.00 0.00 C ATOM 59 OG SER A 4 9.639 12.578 -2.493 1.00 0.00 O ATOM 0 H SER A 4 6.742 12.831 -4.954 1.00 0.00 H new ATOM 0 HA SER A 4 9.468 13.400 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.219 14.248 -3.565 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.578 14.292 -2.952 1.00 0.00 H new ATOM 0 HG SER A 4 9.966 12.950 -1.647 1.00 0.00 H new ATOM 65 N PRO A 5 10.039 10.958 -4.797 1.00 0.00 N ATOM 66 CA PRO A 5 10.223 9.476 -4.805 1.00 0.00 C ATOM 67 C PRO A 5 9.275 8.755 -3.834 1.00 0.00 C ATOM 68 O PRO A 5 8.800 9.352 -2.869 1.00 0.00 O ATOM 69 CB PRO A 5 11.681 9.310 -4.369 1.00 0.00 C ATOM 70 CG PRO A 5 12.377 10.530 -4.885 1.00 0.00 C ATOM 71 CD PRO A 5 11.333 11.661 -4.896 1.00 0.00 C ATOM 0 HA PRO A 5 9.999 9.038 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.763 9.237 -3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.117 8.401 -4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.224 10.791 -4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.771 10.357 -5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.479 12.346 -4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.396 12.253 -5.809 1.00 0.00 H new ATOM 79 N PRO A 6 9.004 7.486 -4.060 1.00 0.00 N ATOM 80 CA PRO A 6 8.111 6.679 -3.178 1.00 0.00 C ATOM 81 C PRO A 6 8.256 7.006 -1.693 1.00 0.00 C ATOM 82 O PRO A 6 9.213 7.654 -1.267 1.00 0.00 O ATOM 83 CB PRO A 6 8.554 5.248 -3.486 1.00 0.00 C ATOM 84 CG PRO A 6 8.860 5.287 -4.937 1.00 0.00 C ATOM 85 CD PRO A 6 9.497 6.663 -5.190 1.00 0.00 C ATOM 0 HA PRO A 6 7.056 6.873 -3.371 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.427 4.963 -2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.768 4.527 -3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.541 4.483 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.956 5.159 -5.532 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.585 6.606 -5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.191 7.076 -6.151 1.00 0.00 H new ATOM 93 N SER A 7 7.264 6.565 -0.923 1.00 0.00 N ATOM 94 CA SER A 7 7.215 6.808 0.513 1.00 0.00 C ATOM 95 C SER A 7 6.451 5.672 1.196 1.00 0.00 C ATOM 96 O SER A 7 5.488 5.906 1.926 1.00 0.00 O ATOM 97 CB SER A 7 6.492 8.135 0.742 1.00 0.00 C ATOM 98 OG SER A 7 7.422 9.205 0.632 1.00 0.00 O ATOM 0 H SER A 7 6.472 6.029 -1.279 1.00 0.00 H new ATOM 0 HA SER A 7 8.221 6.852 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.693 8.257 0.011 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.027 8.143 1.728 1.00 0.00 H new ATOM 0 HG SER A 7 8.176 8.927 0.072 1.00 0.00 H new ATOM 104 N ILE A 8 6.859 4.437 0.919 1.00 0.00 N ATOM 105 CA ILE A 8 6.180 3.267 1.475 1.00 0.00 C ATOM 106 C ILE A 8 7.185 2.314 2.103 1.00 0.00 C ATOM 107 O ILE A 8 8.166 1.919 1.474 1.00 0.00 O ATOM 108 CB ILE A 8 5.441 2.525 0.350 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.579 3.506 -0.472 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.560 1.420 0.941 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.268 3.843 0.226 1.00 0.00 C ATOM 0 H ILE A 8 7.652 4.219 0.316 1.00 0.00 H new ATOM 0 HA ILE A 8 5.478 3.604 2.237 1.00 0.00 H new ATOM 0 HB ILE A 8 6.180 2.075 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.142 4.423 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.367 3.071 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.040 0.900 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.182 0.712 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.830 1.861 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.695 4.536 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.691 2.931 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.478 4.304 1.191 1.00 0.00 H new ATOM 123 N HIS A 9 6.915 1.932 3.342 1.00 0.00 N ATOM 124 CA HIS A 9 7.771 0.997 4.071 1.00 0.00 C ATOM 125 C HIS A 9 6.940 -0.208 4.503 1.00 0.00 C ATOM 126 O HIS A 9 5.988 -0.071 5.270 1.00 0.00 O ATOM 127 CB HIS A 9 8.381 1.700 5.299 1.00 0.00 C ATOM 128 CG HIS A 9 9.666 2.388 4.911 1.00 0.00 C ATOM 129 ND1 HIS A 9 10.724 1.697 4.344 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.075 3.696 4.996 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.711 2.582 4.110 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.368 3.816 4.489 1.00 0.00 N ATOM 0 H HIS A 9 6.105 2.256 3.870 1.00 0.00 H new ATOM 0 HA HIS A 9 8.583 0.658 3.428 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.675 2.428 5.700 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.572 0.972 6.088 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.485 4.508 5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.663 2.326 3.670 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.931 4.664 4.422 1.00 0.00 H new ATOM 140 N GLY A 10 7.298 -1.385 3.992 1.00 0.00 N ATOM 141 CA GLY A 10 6.562 -2.608 4.318 1.00 0.00 C ATOM 142 C GLY A 10 7.228 -3.391 5.437 1.00 0.00 C ATOM 143 O GLY A 10 8.409 -3.211 5.734 1.00 0.00 O ATOM 0 H GLY A 10 8.085 -1.519 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.544 -2.351 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.490 -3.235 3.430 1.00 0.00 H new ATOM 147 N GLN A 11 6.442 -4.276 6.037 1.00 0.00 N ATOM 148 CA GLN A 11 6.916 -5.125 7.118 1.00 0.00 C ATOM 149 C GLN A 11 5.951 -6.306 7.277 1.00 0.00 C ATOM 150 O GLN A 11 4.741 -6.097 7.364 1.00 0.00 O ATOM 151 CB GLN A 11 6.976 -4.323 8.422 1.00 0.00 C ATOM 152 CG GLN A 11 7.764 -5.107 9.474 1.00 0.00 C ATOM 153 CD GLN A 11 8.000 -4.237 10.704 1.00 0.00 C ATOM 154 OE1 GLN A 11 9.146 -4.011 11.094 1.00 0.00 O ATOM 155 NE2 GLN A 11 6.980 -3.735 11.344 1.00 0.00 N ATOM 0 H GLN A 11 5.464 -4.424 5.789 1.00 0.00 H new ATOM 0 HA GLN A 11 7.916 -5.493 6.887 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.449 -3.357 8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.967 -4.123 8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.217 -6.007 9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.718 -5.431 9.059 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.031 -3.923 11.020 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.131 -3.154 12.169 1.00 0.00 H new ATOM 164 N PRO A 12 6.425 -7.533 7.299 1.00 0.00 N ATOM 165 CA PRO A 12 5.522 -8.715 7.427 1.00 0.00 C ATOM 166 C PRO A 12 4.948 -8.857 8.834 1.00 0.00 C ATOM 167 O PRO A 12 5.512 -9.558 9.675 1.00 0.00 O ATOM 168 CB PRO A 12 6.428 -9.901 7.062 1.00 0.00 C ATOM 169 CG PRO A 12 7.808 -9.458 7.430 1.00 0.00 C ATOM 170 CD PRO A 12 7.842 -7.940 7.213 1.00 0.00 C ATOM 0 HA PRO A 12 4.644 -8.636 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.142 -10.799 7.609 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.359 -10.139 6.000 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.034 -9.708 8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.555 -9.956 6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.447 -7.442 7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.272 -7.685 6.244 1.00 0.00 H new ATOM 178 N SER A 13 3.814 -8.206 9.079 1.00 0.00 N ATOM 179 CA SER A 13 3.173 -8.291 10.382 1.00 0.00 C ATOM 180 C SER A 13 2.671 -9.712 10.607 1.00 0.00 C ATOM 181 O SER A 13 3.198 -10.660 10.026 1.00 0.00 O ATOM 182 CB SER A 13 2.005 -7.308 10.463 1.00 0.00 C ATOM 183 OG SER A 13 1.542 -7.239 11.805 1.00 0.00 O ATOM 0 H SER A 13 3.327 -7.621 8.400 1.00 0.00 H new ATOM 0 HA SER A 13 3.898 -8.034 11.154 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.321 -6.321 10.124 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.198 -7.629 9.804 1.00 0.00 H new ATOM 0 HG SER A 13 0.794 -6.608 11.861 1.00 0.00 H new ATOM 189 N SER A 14 1.649 -9.861 11.439 1.00 0.00 N ATOM 190 CA SER A 14 1.101 -11.184 11.702 1.00 0.00 C ATOM 191 C SER A 14 0.347 -11.695 10.476 1.00 0.00 C ATOM 192 O SER A 14 -0.462 -10.975 9.889 1.00 0.00 O ATOM 193 CB SER A 14 0.157 -11.128 12.905 1.00 0.00 C ATOM 194 OG SER A 14 0.925 -11.046 14.099 1.00 0.00 O ATOM 0 H SER A 14 1.190 -9.097 11.935 1.00 0.00 H new ATOM 0 HA SER A 14 1.922 -11.867 11.922 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.504 -10.265 12.824 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.477 -12.014 12.926 1.00 0.00 H new ATOM 0 HG SER A 14 0.324 -11.008 14.872 1.00 0.00 H new ATOM 200 N GLY A 15 0.611 -12.942 10.102 1.00 0.00 N ATOM 201 CA GLY A 15 -0.054 -13.542 8.950 1.00 0.00 C ATOM 202 C GLY A 15 0.540 -13.054 7.634 1.00 0.00 C ATOM 203 O GLY A 15 1.673 -12.577 7.588 1.00 0.00 O ATOM 0 H GLY A 15 1.276 -13.554 10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.031 -14.627 9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.117 -13.303 8.979 1.00 0.00 H new ATOM 207 N LYS A 16 -0.233 -13.206 6.562 1.00 0.00 N ATOM 208 CA LYS A 16 0.213 -12.807 5.232 1.00 0.00 C ATOM 209 C LYS A 16 0.067 -11.304 5.029 1.00 0.00 C ATOM 210 O LYS A 16 0.462 -10.771 3.993 1.00 0.00 O ATOM 211 CB LYS A 16 -0.607 -13.556 4.163 1.00 0.00 C ATOM 212 CG LYS A 16 -1.001 -14.942 4.686 1.00 0.00 C ATOM 213 CD LYS A 16 -1.434 -15.841 3.522 1.00 0.00 C ATOM 214 CE LYS A 16 -2.735 -15.312 2.915 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.299 -16.329 1.984 1.00 0.00 N ATOM 0 H LYS A 16 -1.172 -13.603 6.589 1.00 0.00 H new ATOM 0 HA LYS A 16 1.268 -13.063 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.501 -12.985 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.024 -13.655 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.159 -15.394 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.814 -14.850 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.653 -15.870 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.575 -16.863 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.453 -15.089 3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.547 -14.380 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.757 -15.850 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.534 -16.939 1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.001 -16.909 2.487 1.00 0.00 H new ATOM 229 N SER A 17 -0.515 -10.625 6.004 1.00 0.00 N ATOM 230 CA SER A 17 -0.712 -9.192 5.881 1.00 0.00 C ATOM 231 C SER A 17 0.621 -8.447 5.928 1.00 0.00 C ATOM 232 O SER A 17 1.557 -8.872 6.606 1.00 0.00 O ATOM 233 CB SER A 17 -1.625 -8.687 6.997 1.00 0.00 C ATOM 234 OG SER A 17 -0.950 -8.800 8.243 1.00 0.00 O ATOM 0 H SER A 17 -0.854 -11.035 6.874 1.00 0.00 H new ATOM 0 HA SER A 17 -1.180 -8.999 4.916 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.903 -7.649 6.814 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.549 -9.266 7.017 1.00 0.00 H new ATOM 0 HG SER A 17 -0.970 -9.733 8.542 1.00 0.00 H new ATOM 240 N PHE A 18 0.696 -7.329 5.199 1.00 0.00 N ATOM 241 CA PHE A 18 1.917 -6.513 5.149 1.00 0.00 C ATOM 242 C PHE A 18 1.599 -5.074 5.565 1.00 0.00 C ATOM 243 O PHE A 18 0.727 -4.430 4.982 1.00 0.00 O ATOM 244 CB PHE A 18 2.487 -6.543 3.706 1.00 0.00 C ATOM 245 CG PHE A 18 3.962 -6.887 3.700 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.917 -5.870 3.802 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.372 -8.221 3.572 1.00 0.00 C ATOM 248 CE1 PHE A 18 6.280 -6.190 3.779 1.00 0.00 C ATOM 249 CE2 PHE A 18 5.735 -8.533 3.547 1.00 0.00 C ATOM 250 CZ PHE A 18 6.686 -7.514 3.652 1.00 0.00 C ATOM 0 H PHE A 18 -0.073 -6.967 4.635 1.00 0.00 H new ATOM 0 HA PHE A 18 2.659 -6.916 5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.939 -7.275 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.337 -5.572 3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.604 -4.841 3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.636 -9.007 3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.018 -5.406 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.053 -9.560 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.739 -7.755 3.634 1.00 0.00 H new ATOM 260 N LYS A 19 2.316 -4.573 6.569 1.00 0.00 N ATOM 261 CA LYS A 19 2.101 -3.207 7.040 1.00 0.00 C ATOM 262 C LYS A 19 2.889 -2.221 6.187 1.00 0.00 C ATOM 263 O LYS A 19 4.086 -2.036 6.392 1.00 0.00 O ATOM 264 CB LYS A 19 2.560 -3.068 8.499 1.00 0.00 C ATOM 265 CG LYS A 19 2.242 -1.639 9.035 1.00 0.00 C ATOM 266 CD LYS A 19 3.464 -1.052 9.751 1.00 0.00 C ATOM 267 CE LYS A 19 3.181 0.401 10.136 1.00 0.00 C ATOM 268 NZ LYS A 19 4.381 0.982 10.803 1.00 0.00 N ATOM 0 H LYS A 19 3.043 -5.086 7.067 1.00 0.00 H new ATOM 0 HA LYS A 19 1.036 -2.989 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.061 -3.814 9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.631 -3.260 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.950 -0.990 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.396 -1.681 9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.693 -1.637 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.338 -1.104 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.929 0.981 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.321 0.450 10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.188 1.970 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.602 0.434 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.191 0.948 10.151 1.00 0.00 H new ATOM 282 N LEU A 20 2.207 -1.571 5.244 1.00 0.00 N ATOM 283 CA LEU A 20 2.859 -0.587 4.381 1.00 0.00 C ATOM 284 C LEU A 20 2.616 0.803 4.956 1.00 0.00 C ATOM 285 O LEU A 20 1.557 1.395 4.753 1.00 0.00 O ATOM 286 CB LEU A 20 2.313 -0.662 2.939 1.00 0.00 C ATOM 287 CG LEU A 20 2.054 -2.126 2.524 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.125 -2.152 1.314 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.374 -2.798 2.145 1.00 0.00 C ATOM 0 H LEU A 20 1.213 -1.706 5.059 1.00 0.00 H new ATOM 0 HA LEU A 20 3.927 -0.799 4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.388 -0.090 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.025 -0.206 2.252 1.00 0.00 H new ATOM 0 HG LEU A 20 1.597 -2.658 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.941 -3.185 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.180 -1.674 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.590 -1.616 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.186 -3.831 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.829 -2.262 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.050 -2.780 3.000 1.00 0.00 H new ATOM 301 N SER A 21 3.596 1.307 5.691 1.00 0.00 N ATOM 302 CA SER A 21 3.479 2.614 6.314 1.00 0.00 C ATOM 303 C SER A 21 3.554 3.723 5.275 1.00 0.00 C ATOM 304 O SER A 21 4.518 3.802 4.514 1.00 0.00 O ATOM 305 CB SER A 21 4.612 2.802 7.324 1.00 0.00 C ATOM 306 OG SER A 21 4.361 3.967 8.099 1.00 0.00 O ATOM 0 H SER A 21 4.480 0.830 5.870 1.00 0.00 H new ATOM 0 HA SER A 21 2.512 2.667 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.686 1.929 7.972 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.566 2.895 6.805 1.00 0.00 H new ATOM 0 HG SER A 21 3.421 4.227 8.004 1.00 0.00 H new ATOM 312 N ILE A 22 2.555 4.607 5.269 1.00 0.00 N ATOM 313 CA ILE A 22 2.563 5.727 4.339 1.00 0.00 C ATOM 314 C ILE A 22 3.301 6.872 5.027 1.00 0.00 C ATOM 315 O ILE A 22 2.828 7.397 6.035 1.00 0.00 O ATOM 316 CB ILE A 22 1.122 6.178 3.988 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.121 5.016 4.099 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.089 6.709 2.556 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.418 3.916 3.074 1.00 0.00 C ATOM 0 H ILE A 22 1.745 4.568 5.888 1.00 0.00 H new ATOM 0 HA ILE A 22 3.050 5.434 3.409 1.00 0.00 H new ATOM 0 HB ILE A 22 0.836 6.955 4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.159 4.597 5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.891 5.391 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.076 7.026 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.767 7.558 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.401 5.922 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.310 3.112 3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.354 4.330 2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.421 3.523 3.242 1.00 0.00 H new ATOM 331 N THR A 23 4.463 7.254 4.504 1.00 0.00 N ATOM 332 CA THR A 23 5.227 8.332 5.130 1.00 0.00 C ATOM 333 C THR A 23 4.742 9.679 4.620 1.00 0.00 C ATOM 334 O THR A 23 4.460 9.844 3.436 1.00 0.00 O ATOM 335 CB THR A 23 6.728 8.147 4.859 1.00 0.00 C ATOM 336 OG1 THR A 23 7.210 7.068 5.647 1.00 0.00 O ATOM 337 CG2 THR A 23 7.494 9.423 5.226 1.00 0.00 C ATOM 0 H THR A 23 4.888 6.847 3.671 1.00 0.00 H new ATOM 0 HA THR A 23 5.072 8.299 6.208 1.00 0.00 H new ATOM 0 HB THR A 23 6.878 7.936 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.167 6.942 5.479 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.556 9.279 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.124 10.255 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.347 9.644 6.283 1.00 0.00 H new ATOM 345 N LYS A 24 4.643 10.638 5.530 1.00 0.00 N ATOM 346 CA LYS A 24 4.191 11.971 5.172 1.00 0.00 C ATOM 347 C LYS A 24 5.275 12.683 4.383 1.00 0.00 C ATOM 348 O LYS A 24 6.278 13.126 4.943 1.00 0.00 O ATOM 349 CB LYS A 24 3.884 12.757 6.451 1.00 0.00 C ATOM 350 CG LYS A 24 2.736 12.069 7.238 1.00 0.00 C ATOM 351 CD LYS A 24 3.022 12.106 8.749 1.00 0.00 C ATOM 352 CE LYS A 24 3.977 10.964 9.127 1.00 0.00 C ATOM 353 NZ LYS A 24 4.253 11.019 10.591 1.00 0.00 N ATOM 0 H LYS A 24 4.869 10.517 6.517 1.00 0.00 H new ATOM 0 HA LYS A 24 3.292 11.901 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.777 12.817 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.601 13.779 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.791 12.571 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.628 11.036 6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.462 13.065 9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.090 12.013 9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.535 10.003 8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.907 11.051 8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.900 10.247 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.691 11.932 10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.361 10.916 11.116 1.00 0.00 H new ATOM 367 N GLN A 25 5.066 12.789 3.077 1.00 0.00 N ATOM 368 CA GLN A 25 6.029 13.454 2.195 1.00 0.00 C ATOM 369 C GLN A 25 5.455 14.796 1.749 1.00 0.00 C ATOM 370 O GLN A 25 4.274 15.074 1.962 1.00 0.00 O ATOM 371 CB GLN A 25 6.357 12.558 0.970 1.00 0.00 C ATOM 372 CG GLN A 25 5.301 11.452 0.814 1.00 0.00 C ATOM 373 CD GLN A 25 5.380 10.850 -0.587 1.00 0.00 C ATOM 374 OE1 GLN A 25 6.381 11.022 -1.283 1.00 0.00 O ATOM 375 NE2 GLN A 25 4.379 10.148 -1.042 1.00 0.00 N ATOM 0 H GLN A 25 4.241 12.425 2.601 1.00 0.00 H new ATOM 0 HA GLN A 25 6.959 13.625 2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.392 13.166 0.066 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.344 12.112 1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.462 10.676 1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.306 11.861 0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.551 10.007 -0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.425 9.740 -1.976 1.00 0.00 H new ATOM 384 N ASP A 26 6.291 15.631 1.145 1.00 0.00 N ATOM 385 CA ASP A 26 5.833 16.939 0.698 1.00 0.00 C ATOM 386 C ASP A 26 4.653 16.790 -0.252 1.00 0.00 C ATOM 387 O ASP A 26 4.806 16.327 -1.383 1.00 0.00 O ATOM 388 CB ASP A 26 6.970 17.683 -0.006 1.00 0.00 C ATOM 389 CG ASP A 26 6.617 19.162 -0.143 1.00 0.00 C ATOM 390 OD1 ASP A 26 5.679 19.461 -0.861 1.00 0.00 O ATOM 391 OD2 ASP A 26 7.290 19.971 0.474 1.00 0.00 O ATOM 0 H ASP A 26 7.273 15.431 0.956 1.00 0.00 H new ATOM 0 HA ASP A 26 5.516 17.511 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.895 17.572 0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.145 17.249 -0.991 1.00 0.00 H new ATOM 396 N ASP A 27 3.473 17.189 0.214 1.00 0.00 N ATOM 397 CA ASP A 27 2.274 17.095 -0.605 1.00 0.00 C ATOM 398 C ASP A 27 2.407 17.985 -1.832 1.00 0.00 C ATOM 399 O ASP A 27 3.293 18.838 -1.897 1.00 0.00 O ATOM 400 CB ASP A 27 1.045 17.509 0.213 1.00 0.00 C ATOM 401 CG ASP A 27 1.304 18.840 0.910 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.725 19.767 0.238 1.00 0.00 O ATOM 403 OD2 ASP A 27 1.073 18.914 2.105 1.00 0.00 O ATOM 0 H ASP A 27 3.324 17.577 1.146 1.00 0.00 H new ATOM 0 HA ASP A 27 2.151 16.062 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.176 17.594 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.815 16.741 0.952 1.00 0.00 H new ATOM 408 N GLY A 28 1.535 17.777 -2.810 1.00 0.00 N ATOM 409 CA GLY A 28 1.585 18.567 -4.032 1.00 0.00 C ATOM 410 C GLY A 28 1.514 20.056 -3.711 1.00 0.00 C ATOM 411 O GLY A 28 1.960 20.894 -4.496 1.00 0.00 O ATOM 0 H GLY A 28 0.794 17.077 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.505 18.350 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.757 18.290 -4.685 1.00 0.00 H new ATOM 415 N GLY A 29 0.960 20.380 -2.545 1.00 0.00 N ATOM 416 CA GLY A 29 0.845 21.778 -2.122 1.00 0.00 C ATOM 417 C GLY A 29 -0.368 22.012 -1.217 1.00 0.00 C ATOM 418 O GLY A 29 -0.782 23.154 -1.018 1.00 0.00 O ATOM 0 H GLY A 29 0.586 19.703 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.752 22.071 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.768 22.417 -3.002 1.00 0.00 H new ATOM 422 N ALA A 30 -0.930 20.939 -0.664 1.00 0.00 N ATOM 423 CA ALA A 30 -2.086 21.063 0.220 1.00 0.00 C ATOM 424 C ALA A 30 -2.185 19.832 1.117 1.00 0.00 C ATOM 425 O ALA A 30 -1.734 18.751 0.737 1.00 0.00 O ATOM 426 CB ALA A 30 -3.362 21.215 -0.620 1.00 0.00 C ATOM 0 H ALA A 30 -0.607 19.983 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.970 21.946 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.224 21.307 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.284 22.107 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.485 20.339 -1.256 1.00 0.00 H new ATOM 432 N PRO A 31 -2.757 19.962 2.288 1.00 0.00 N ATOM 433 CA PRO A 31 -2.900 18.812 3.226 1.00 0.00 C ATOM 434 C PRO A 31 -3.811 17.738 2.643 1.00 0.00 C ATOM 435 O PRO A 31 -4.767 18.040 1.930 1.00 0.00 O ATOM 436 CB PRO A 31 -3.490 19.443 4.499 1.00 0.00 C ATOM 437 CG PRO A 31 -4.163 20.694 4.033 1.00 0.00 C ATOM 438 CD PRO A 31 -3.337 21.196 2.849 1.00 0.00 C ATOM 0 HA PRO A 31 -1.956 18.304 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.198 18.770 4.982 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.711 19.662 5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.193 20.496 3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.198 21.438 4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.957 21.717 2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.563 21.895 3.167 1.00 0.00 H new ATOM 446 N ILE A 32 -3.491 16.483 2.937 1.00 0.00 N ATOM 447 CA ILE A 32 -4.267 15.357 2.427 1.00 0.00 C ATOM 448 C ILE A 32 -5.372 14.958 3.395 1.00 0.00 C ATOM 449 O ILE A 32 -5.131 14.744 4.582 1.00 0.00 O ATOM 450 CB ILE A 32 -3.327 14.171 2.187 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.343 14.505 1.027 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.160 12.919 1.849 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.903 14.179 1.432 1.00 0.00 C ATOM 0 H ILE A 32 -2.701 16.219 3.525 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.740 15.656 1.492 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.745 13.975 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.614 13.936 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.423 15.560 0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.493 12.074 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.828 12.692 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.748 13.105 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.230 14.419 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.629 14.767 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.823 13.118 1.668 1.00 0.00 H new ATOM 465 N LEU A 33 -6.584 14.848 2.865 1.00 0.00 N ATOM 466 CA LEU A 33 -7.734 14.458 3.668 1.00 0.00 C ATOM 467 C LEU A 33 -7.797 12.939 3.797 1.00 0.00 C ATOM 468 O LEU A 33 -8.033 12.408 4.881 1.00 0.00 O ATOM 469 CB LEU A 33 -9.017 14.975 3.010 1.00 0.00 C ATOM 470 CG LEU A 33 -9.044 16.512 3.054 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.159 17.024 2.139 1.00 0.00 C ATOM 472 CD2 LEU A 33 -9.286 17.009 4.495 1.00 0.00 C ATOM 0 H LEU A 33 -6.795 15.024 1.883 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.635 14.891 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.071 14.631 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.889 14.572 3.526 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.081 16.892 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.182 18.113 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.973 16.691 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.118 16.632 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.302 18.099 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.242 16.628 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.486 16.651 5.143 1.00 0.00 H new ATOM 484 N GLU A 34 -7.587 12.245 2.675 1.00 0.00 N ATOM 485 CA GLU A 34 -7.625 10.779 2.658 1.00 0.00 C ATOM 486 C GLU A 34 -6.624 10.211 1.670 1.00 0.00 C ATOM 487 O GLU A 34 -6.169 10.898 0.755 1.00 0.00 O ATOM 488 CB GLU A 34 -9.018 10.283 2.262 1.00 0.00 C ATOM 489 CG GLU A 34 -9.985 10.530 3.404 1.00 0.00 C ATOM 490 CD GLU A 34 -11.392 10.114 2.993 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.533 9.569 1.911 1.00 0.00 O ATOM 492 OE2 GLU A 34 -12.309 10.343 3.765 1.00 0.00 O ATOM 0 H GLU A 34 -7.390 12.672 1.770 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.374 10.442 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.358 10.800 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.983 9.220 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.673 9.968 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.974 11.585 3.679 1.00 0.00 H new ATOM 499 N TYR A 35 -6.314 8.930 1.851 1.00 0.00 N ATOM 500 CA TYR A 35 -5.394 8.228 0.965 1.00 0.00 C ATOM 501 C TYR A 35 -6.138 7.142 0.196 1.00 0.00 C ATOM 502 O TYR A 35 -6.714 6.232 0.790 1.00 0.00 O ATOM 503 CB TYR A 35 -4.258 7.581 1.781 1.00 0.00 C ATOM 504 CG TYR A 35 -3.158 8.589 2.062 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.425 9.724 2.829 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.864 8.368 1.574 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.397 10.638 3.109 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.842 9.281 1.849 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.108 10.414 2.618 1.00 0.00 C ATOM 510 OH TYR A 35 -0.093 11.303 2.903 1.00 0.00 O ATOM 0 H TYR A 35 -6.689 8.356 2.607 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.971 8.948 0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.653 7.195 2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.849 6.732 1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.422 9.899 3.207 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.655 7.489 0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.603 11.515 3.705 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.153 9.109 1.466 1.00 0.00 H new ATOM 0 HH TYR A 35 0.738 10.995 2.485 1.00 0.00 H new ATOM 520 N ILE A 36 -6.090 7.222 -1.128 1.00 0.00 N ATOM 521 CA ILE A 36 -6.724 6.218 -1.969 1.00 0.00 C ATOM 522 C ILE A 36 -5.680 5.183 -2.328 1.00 0.00 C ATOM 523 O ILE A 36 -4.751 5.457 -3.090 1.00 0.00 O ATOM 524 CB ILE A 36 -7.268 6.864 -3.236 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.323 7.900 -2.850 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.887 5.787 -4.136 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.716 8.713 -4.083 1.00 0.00 C ATOM 0 H ILE A 36 -5.620 7.969 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.554 5.753 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.462 7.355 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.200 7.404 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.933 8.560 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.276 6.250 -5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.126 5.053 -4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.699 5.291 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.469 9.452 -3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.837 9.221 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.123 8.047 -4.843 1.00 0.00 H new ATOM 539 N VAL A 37 -5.815 4.003 -1.745 1.00 0.00 N ATOM 540 CA VAL A 37 -4.865 2.930 -1.965 1.00 0.00 C ATOM 541 C VAL A 37 -5.507 1.777 -2.701 1.00 0.00 C ATOM 542 O VAL A 37 -6.575 1.300 -2.320 1.00 0.00 O ATOM 543 CB VAL A 37 -4.365 2.434 -0.615 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.351 1.305 -0.839 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.722 3.607 0.161 1.00 0.00 C ATOM 0 H VAL A 37 -6.579 3.765 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.042 3.312 -2.569 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.196 2.047 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.989 0.945 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.831 0.486 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.512 1.680 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.364 3.251 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.885 4.006 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.463 4.391 0.315 1.00 0.00 H new ATOM 555 N LYS A 38 -4.841 1.319 -3.752 1.00 0.00 N ATOM 556 CA LYS A 38 -5.336 0.196 -4.530 1.00 0.00 C ATOM 557 C LYS A 38 -4.245 -0.841 -4.659 1.00 0.00 C ATOM 558 O LYS A 38 -3.066 -0.511 -4.705 1.00 0.00 O ATOM 559 CB LYS A 38 -5.785 0.648 -5.920 1.00 0.00 C ATOM 560 CG LYS A 38 -6.784 1.818 -5.803 1.00 0.00 C ATOM 561 CD LYS A 38 -7.787 1.760 -6.956 1.00 0.00 C ATOM 562 CE LYS A 38 -7.042 1.780 -8.288 1.00 0.00 C ATOM 563 NZ LYS A 38 -5.933 2.775 -8.229 1.00 0.00 N ATOM 0 H LYS A 38 -3.958 1.708 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.197 -0.232 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.920 0.956 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.249 -0.185 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.309 1.766 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.250 2.768 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.391 0.856 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.471 2.607 -6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.643 0.790 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.728 2.034 -9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.730 3.126 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.213 3.571 -7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.082 2.323 -7.839 1.00 0.00 H new ATOM 577 N TYR A 39 -4.639 -2.099 -4.706 1.00 0.00 N ATOM 578 CA TYR A 39 -3.670 -3.179 -4.819 1.00 0.00 C ATOM 579 C TYR A 39 -4.269 -4.337 -5.595 1.00 0.00 C ATOM 580 O TYR A 39 -5.488 -4.499 -5.642 1.00 0.00 O ATOM 581 CB TYR A 39 -3.256 -3.652 -3.423 1.00 0.00 C ATOM 582 CG TYR A 39 -4.465 -4.179 -2.687 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.335 -3.293 -2.038 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.710 -5.557 -2.646 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.451 -3.786 -1.352 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.826 -6.051 -1.962 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.698 -5.164 -1.314 1.00 0.00 C ATOM 588 OH TYR A 39 -7.798 -5.649 -0.638 1.00 0.00 O ATOM 0 H TYR A 39 -5.613 -2.400 -4.668 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.792 -2.812 -5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.498 -4.431 -3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.810 -2.828 -2.866 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.145 -2.230 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.037 -6.239 -3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.122 -3.103 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.016 -7.114 -1.933 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.822 -6.626 -0.711 1.00 0.00 H new ATOM 598 N ARG A 40 -3.409 -5.147 -6.201 1.00 0.00 N ATOM 599 CA ARG A 40 -3.876 -6.293 -6.963 1.00 0.00 C ATOM 600 C ARG A 40 -2.827 -7.400 -6.985 1.00 0.00 C ATOM 601 O ARG A 40 -1.804 -7.300 -6.318 1.00 0.00 O ATOM 602 CB ARG A 40 -4.244 -5.895 -8.391 1.00 0.00 C ATOM 603 CG ARG A 40 -3.005 -5.566 -9.263 1.00 0.00 C ATOM 604 CD ARG A 40 -3.333 -5.737 -10.775 1.00 0.00 C ATOM 605 NE ARG A 40 -4.706 -6.211 -10.997 1.00 0.00 N ATOM 606 CZ ARG A 40 -4.999 -7.515 -11.089 1.00 0.00 C ATOM 607 NH1 ARG A 40 -4.050 -8.409 -11.013 1.00 0.00 N ATOM 608 NH2 ARG A 40 -6.238 -7.893 -11.234 1.00 0.00 N ATOM 0 H ARG A 40 -2.396 -5.032 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.771 -6.670 -6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.804 -6.706 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.903 -5.027 -8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.680 -4.544 -9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.178 -6.221 -8.989 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.193 -4.784 -11.285 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.631 -6.443 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.458 -5.527 -11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.082 -8.115 -10.883 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.277 -9.401 -11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.982 -7.197 -11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.464 -8.885 -11.304 1.00 0.00 H new ATOM 622 N SER A 41 -3.083 -8.442 -7.777 1.00 0.00 N ATOM 623 CA SER A 41 -2.147 -9.563 -7.900 1.00 0.00 C ATOM 624 C SER A 41 -1.189 -9.345 -9.075 1.00 0.00 C ATOM 625 O SER A 41 -1.566 -8.761 -10.090 1.00 0.00 O ATOM 626 CB SER A 41 -2.925 -10.861 -8.117 1.00 0.00 C ATOM 627 OG SER A 41 -4.029 -10.902 -7.222 1.00 0.00 O ATOM 0 H SER A 41 -3.927 -8.534 -8.342 1.00 0.00 H new ATOM 0 HA SER A 41 -1.565 -9.628 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.275 -10.921 -9.148 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.275 -11.720 -7.951 1.00 0.00 H new ATOM 0 HG SER A 41 -3.750 -10.572 -6.343 1.00 0.00 H new ATOM 633 N LYS A 42 0.048 -9.819 -8.931 1.00 0.00 N ATOM 634 CA LYS A 42 1.046 -9.671 -9.995 1.00 0.00 C ATOM 635 C LYS A 42 0.829 -10.679 -11.126 1.00 0.00 C ATOM 636 O LYS A 42 1.727 -10.893 -11.940 1.00 0.00 O ATOM 637 CB LYS A 42 2.470 -9.845 -9.436 1.00 0.00 C ATOM 638 CG LYS A 42 2.902 -8.577 -8.704 1.00 0.00 C ATOM 639 CD LYS A 42 4.373 -8.679 -8.300 1.00 0.00 C ATOM 640 CE LYS A 42 4.778 -7.404 -7.562 1.00 0.00 C ATOM 641 NZ LYS A 42 6.212 -7.488 -7.165 1.00 0.00 N ATOM 0 H LYS A 42 0.383 -10.304 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 42 0.928 -8.665 -10.398 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.501 -10.696 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.164 -10.061 -10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.752 -7.709 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.283 -8.430 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.528 -9.549 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.997 -8.817 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.618 -6.536 -8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.153 -7.269 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.489 -6.612 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.349 -8.297 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.800 -7.613 -8.013 1.00 0.00 H new ATOM 655 N ASP A 43 -0.349 -11.302 -11.180 1.00 0.00 N ATOM 656 CA ASP A 43 -0.637 -12.289 -12.234 1.00 0.00 C ATOM 657 C ASP A 43 -1.997 -12.042 -12.884 1.00 0.00 C ATOM 658 O ASP A 43 -2.121 -12.076 -14.109 1.00 0.00 O ATOM 659 CB ASP A 43 -0.595 -13.703 -11.653 1.00 0.00 C ATOM 660 CG ASP A 43 -0.587 -14.728 -12.783 1.00 0.00 C ATOM 661 OD1 ASP A 43 -1.565 -14.786 -13.509 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.395 -15.442 -12.901 1.00 0.00 O ATOM 0 H ASP A 43 -1.111 -11.148 -10.520 1.00 0.00 H new ATOM 0 HA ASP A 43 0.128 -12.183 -13.003 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.293 -13.825 -11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.458 -13.866 -11.008 1.00 0.00 H new ATOM 667 N LYS A 44 -3.017 -11.805 -12.068 1.00 0.00 N ATOM 668 CA LYS A 44 -4.366 -11.569 -12.588 1.00 0.00 C ATOM 669 C LYS A 44 -4.536 -10.113 -13.015 1.00 0.00 C ATOM 670 O LYS A 44 -5.602 -9.530 -12.842 1.00 0.00 O ATOM 671 CB LYS A 44 -5.410 -11.928 -11.512 1.00 0.00 C ATOM 672 CG LYS A 44 -5.614 -13.456 -11.444 1.00 0.00 C ATOM 673 CD LYS A 44 -4.492 -14.128 -10.612 1.00 0.00 C ATOM 674 CE LYS A 44 -3.996 -15.392 -11.329 1.00 0.00 C ATOM 675 NZ LYS A 44 -5.143 -16.315 -11.556 1.00 0.00 N ATOM 0 H LYS A 44 -2.941 -11.770 -11.051 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.516 -12.202 -13.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.083 -11.555 -10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.357 -11.439 -11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.584 -13.678 -10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.623 -13.871 -12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.665 -13.432 -10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.866 -14.385 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.535 -15.126 -12.280 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.230 -15.886 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.791 -17.289 -11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.797 -16.261 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.643 -16.041 -12.426 1.00 0.00 H new ATOM 689 N GLU A 45 -3.480 -9.541 -13.584 1.00 0.00 N ATOM 690 CA GLU A 45 -3.518 -8.152 -14.045 1.00 0.00 C ATOM 691 C GLU A 45 -4.751 -7.902 -14.905 1.00 0.00 C ATOM 692 O GLU A 45 -4.694 -7.974 -16.134 1.00 0.00 O ATOM 693 CB GLU A 45 -2.251 -7.839 -14.851 1.00 0.00 C ATOM 694 CG GLU A 45 -2.057 -6.323 -14.964 1.00 0.00 C ATOM 695 CD GLU A 45 -3.133 -5.723 -15.863 1.00 0.00 C ATOM 696 OE1 GLU A 45 -3.321 -6.238 -16.952 1.00 0.00 O ATOM 697 OE2 GLU A 45 -3.751 -4.756 -15.450 1.00 0.00 O ATOM 0 H GLU A 45 -2.589 -10.013 -13.738 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.566 -7.499 -13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.384 -8.289 -14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.326 -8.279 -15.846 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.103 -5.868 -13.975 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.069 -6.104 -15.370 1.00 0.00 H new ATOM 704 N ASP A 46 -5.869 -7.613 -14.245 1.00 0.00 N ATOM 705 CA ASP A 46 -7.129 -7.354 -14.946 1.00 0.00 C ATOM 706 C ASP A 46 -8.068 -6.456 -14.127 1.00 0.00 C ATOM 707 O ASP A 46 -9.017 -5.893 -14.670 1.00 0.00 O ATOM 708 CB ASP A 46 -7.835 -8.679 -15.241 1.00 0.00 C ATOM 709 CG ASP A 46 -7.022 -9.497 -16.239 1.00 0.00 C ATOM 710 OD1 ASP A 46 -6.564 -8.926 -17.214 1.00 0.00 O ATOM 711 OD2 ASP A 46 -6.869 -10.686 -16.012 1.00 0.00 O ATOM 0 H ASP A 46 -5.931 -7.552 -13.229 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.888 -6.835 -15.874 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.966 -9.243 -14.318 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.831 -8.488 -15.641 1.00 0.00 H new ATOM 716 N GLN A 47 -7.809 -6.328 -12.825 1.00 0.00 N ATOM 717 CA GLN A 47 -8.657 -5.499 -11.962 1.00 0.00 C ATOM 718 C GLN A 47 -7.895 -5.042 -10.719 1.00 0.00 C ATOM 719 O GLN A 47 -6.931 -5.679 -10.302 1.00 0.00 O ATOM 720 CB GLN A 47 -9.903 -6.283 -11.547 1.00 0.00 C ATOM 721 CG GLN A 47 -9.485 -7.578 -10.843 1.00 0.00 C ATOM 722 CD GLN A 47 -10.724 -8.363 -10.426 1.00 0.00 C ATOM 723 OE1 GLN A 47 -11.455 -7.942 -9.530 1.00 0.00 O ATOM 724 NE2 GLN A 47 -11.003 -9.489 -11.025 1.00 0.00 N ATOM 0 H GLN A 47 -7.029 -6.781 -12.348 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.955 -4.615 -12.526 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.520 -5.679 -10.882 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.509 -6.513 -12.423 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.868 -8.182 -11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.878 -7.347 -9.968 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.396 -9.836 -11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.828 -10.022 -10.751 1.00 0.00 H new ATOM 733 N TRP A 48 -8.336 -3.926 -10.132 1.00 0.00 N ATOM 734 CA TRP A 48 -7.688 -3.369 -8.938 1.00 0.00 C ATOM 735 C TRP A 48 -8.676 -3.191 -7.783 1.00 0.00 C ATOM 736 O TRP A 48 -9.780 -2.674 -7.964 1.00 0.00 O ATOM 737 CB TRP A 48 -7.084 -2.002 -9.280 1.00 0.00 C ATOM 738 CG TRP A 48 -5.816 -2.174 -10.051 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.727 -2.463 -11.370 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.454 -2.059 -9.564 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.389 -2.539 -11.718 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.565 -2.297 -10.636 1.00 0.00 C ATOM 743 CE3 TRP A 48 -3.913 -1.776 -8.300 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.182 -2.255 -10.459 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.525 -1.732 -8.117 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.658 -1.970 -9.195 1.00 0.00 C ATOM 0 H TRP A 48 -9.138 -3.390 -10.463 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.915 -4.070 -8.624 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.796 -1.418 -9.863 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.888 -1.444 -8.364 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.561 -2.610 -12.040 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.053 -2.748 -12.658 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.571 -1.591 -7.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.521 -2.441 -11.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.119 -1.514 -7.140 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.589 -1.933 -9.048 1.00 0.00 H new ATOM 757 N LEU A 49 -8.242 -3.582 -6.586 1.00 0.00 N ATOM 758 CA LEU A 49 -9.056 -3.425 -5.382 1.00 0.00 C ATOM 759 C LEU A 49 -8.843 -2.016 -4.839 1.00 0.00 C ATOM 760 O LEU A 49 -7.843 -1.383 -5.165 1.00 0.00 O ATOM 761 CB LEU A 49 -8.647 -4.453 -4.323 1.00 0.00 C ATOM 762 CG LEU A 49 -8.981 -5.874 -4.804 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.404 -6.887 -3.810 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.508 -6.059 -4.912 1.00 0.00 C ATOM 0 H LEU A 49 -7.330 -4.010 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.106 -3.583 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.579 -4.372 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.166 -4.247 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.543 -6.032 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.637 -7.898 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.323 -6.764 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.842 -6.721 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.729 -7.070 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.964 -5.899 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.912 -5.339 -5.624 1.00 0.00 H new ATOM 776 N GLU A 50 -9.780 -1.512 -4.031 1.00 0.00 N ATOM 777 CA GLU A 50 -9.661 -0.149 -3.480 1.00 0.00 C ATOM 778 C GLU A 50 -9.591 -0.171 -1.948 1.00 0.00 C ATOM 779 O GLU A 50 -10.203 -1.016 -1.296 1.00 0.00 O ATOM 780 CB GLU A 50 -10.847 0.728 -3.956 1.00 0.00 C ATOM 781 CG GLU A 50 -11.554 0.064 -5.142 1.00 0.00 C ATOM 782 CD GLU A 50 -12.364 -1.135 -4.662 1.00 0.00 C ATOM 783 OE1 GLU A 50 -12.596 -1.228 -3.468 1.00 0.00 O ATOM 784 OE2 GLU A 50 -12.741 -1.941 -5.495 1.00 0.00 O ATOM 0 H GLU A 50 -10.620 -2.015 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.731 0.284 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.552 0.873 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.486 1.715 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.210 0.783 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.820 -0.255 -5.881 1.00 0.00 H new ATOM 791 N LYS A 51 -8.833 0.778 -1.394 1.00 0.00 N ATOM 792 CA LYS A 51 -8.663 0.896 0.054 1.00 0.00 C ATOM 793 C LYS A 51 -8.494 2.374 0.405 1.00 0.00 C ATOM 794 O LYS A 51 -7.545 3.015 -0.027 1.00 0.00 O ATOM 795 CB LYS A 51 -7.434 0.052 0.471 1.00 0.00 C ATOM 796 CG LYS A 51 -6.919 0.393 1.908 1.00 0.00 C ATOM 797 CD LYS A 51 -7.321 -0.688 2.932 1.00 0.00 C ATOM 798 CE LYS A 51 -8.781 -0.502 3.346 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.105 -1.444 4.455 1.00 0.00 N ATOM 0 H LYS A 51 -8.324 1.480 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.531 0.520 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.694 -1.006 0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.629 0.214 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.834 0.492 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.322 1.357 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.181 -1.679 2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.676 -0.628 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.952 0.526 3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.438 -0.685 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.098 -1.319 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.957 -2.422 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.486 -1.249 5.268 1.00 0.00 H new ATOM 813 N LYS A 52 -9.422 2.915 1.194 1.00 0.00 N ATOM 814 CA LYS A 52 -9.357 4.330 1.583 1.00 0.00 C ATOM 815 C LYS A 52 -8.802 4.464 2.998 1.00 0.00 C ATOM 816 O LYS A 52 -9.089 3.639 3.865 1.00 0.00 O ATOM 817 CB LYS A 52 -10.760 4.944 1.531 1.00 0.00 C ATOM 818 CG LYS A 52 -11.406 4.678 0.165 1.00 0.00 C ATOM 819 CD LYS A 52 -10.651 5.421 -0.943 1.00 0.00 C ATOM 820 CE LYS A 52 -11.515 5.464 -2.208 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.718 4.078 -2.714 1.00 0.00 N ATOM 0 H LYS A 52 -10.220 2.405 1.574 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.699 4.854 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.379 4.521 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.702 6.017 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.405 3.608 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.448 4.999 0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.411 6.434 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.705 4.921 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.477 5.928 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.032 6.075 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.109 4.114 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.807 3.577 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.381 3.574 -2.090 1.00 0.00 H new ATOM 835 N VAL A 53 -8.007 5.517 3.234 1.00 0.00 N ATOM 836 CA VAL A 53 -7.420 5.748 4.556 1.00 0.00 C ATOM 837 C VAL A 53 -7.490 7.228 4.925 1.00 0.00 C ATOM 838 O VAL A 53 -7.658 8.093 4.069 1.00 0.00 O ATOM 839 CB VAL A 53 -5.947 5.250 4.618 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.719 4.457 5.905 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.635 4.349 3.417 1.00 0.00 C ATOM 0 H VAL A 53 -7.759 6.215 2.532 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.002 5.176 5.279 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.290 6.120 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.686 4.112 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.919 5.095 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.390 3.598 5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.601 4.009 3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.301 3.486 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.781 4.910 2.494 1.00 0.00 H new ATOM 851 N GLN A 54 -7.352 7.496 6.216 1.00 0.00 N ATOM 852 CA GLN A 54 -7.385 8.862 6.721 1.00 0.00 C ATOM 853 C GLN A 54 -6.035 9.531 6.477 1.00 0.00 C ATOM 854 O GLN A 54 -4.998 8.868 6.494 1.00 0.00 O ATOM 855 CB GLN A 54 -7.696 8.842 8.222 1.00 0.00 C ATOM 856 CG GLN A 54 -7.867 10.268 8.745 1.00 0.00 C ATOM 857 CD GLN A 54 -9.096 10.914 8.115 1.00 0.00 C ATOM 858 OE1 GLN A 54 -10.115 10.251 7.915 1.00 0.00 O ATOM 859 NE2 GLN A 54 -9.063 12.178 7.793 1.00 0.00 N ATOM 0 H GLN A 54 -7.216 6.784 6.934 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.160 9.426 6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.605 8.268 8.405 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.890 8.343 8.761 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.969 10.256 9.830 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.979 10.857 8.515 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.218 12.725 7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.882 12.619 7.375 1.00 0.00 H new ATOM 868 N GLY A 55 -6.050 10.838 6.243 1.00 0.00 N ATOM 869 CA GLY A 55 -4.811 11.564 5.989 1.00 0.00 C ATOM 870 C GLY A 55 -3.913 11.569 7.219 1.00 0.00 C ATOM 871 O GLY A 55 -2.823 12.140 7.199 1.00 0.00 O ATOM 0 H GLY A 55 -6.894 11.411 6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.283 11.106 5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.040 12.589 5.699 1.00 0.00 H new ATOM 875 N ASN A 56 -4.377 10.930 8.291 1.00 0.00 N ATOM 876 CA ASN A 56 -3.614 10.858 9.538 1.00 0.00 C ATOM 877 C ASN A 56 -3.288 9.412 9.893 1.00 0.00 C ATOM 878 O ASN A 56 -2.551 9.152 10.844 1.00 0.00 O ATOM 879 CB ASN A 56 -4.421 11.491 10.673 1.00 0.00 C ATOM 880 CG ASN A 56 -3.655 11.381 11.986 1.00 0.00 C ATOM 881 OD1 ASN A 56 -4.186 10.877 12.976 1.00 0.00 O ATOM 882 ND2 ASN A 56 -2.429 11.825 12.054 1.00 0.00 N ATOM 0 H ASN A 56 -5.278 10.454 8.322 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.679 11.402 9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.621 12.538 10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.387 10.994 10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.909 11.755 12.929 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.991 12.242 11.232 1.00 0.00 H new ATOM 889 N LYS A 57 -3.841 8.469 9.133 1.00 0.00 N ATOM 890 CA LYS A 57 -3.591 7.057 9.402 1.00 0.00 C ATOM 891 C LYS A 57 -2.106 6.752 9.207 1.00 0.00 C ATOM 892 O LYS A 57 -1.466 6.124 10.050 1.00 0.00 O ATOM 893 CB LYS A 57 -4.429 6.176 8.459 1.00 0.00 C ATOM 894 CG LYS A 57 -4.691 4.794 9.107 1.00 0.00 C ATOM 895 CD LYS A 57 -6.017 4.827 9.880 1.00 0.00 C ATOM 896 CE LYS A 57 -6.334 3.429 10.415 1.00 0.00 C ATOM 897 NZ LYS A 57 -5.306 3.035 11.414 1.00 0.00 N ATOM 0 H LYS A 57 -4.455 8.653 8.339 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.875 6.839 10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.377 6.667 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.907 6.048 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.726 4.022 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.873 4.536 9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.951 5.537 10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.821 5.169 9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.323 3.419 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.354 2.710 9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.042 2.040 11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.465 3.637 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.691 3.152 12.373 1.00 0.00 H new ATOM 911 N ASP A 58 -1.572 7.220 8.083 1.00 0.00 N ATOM 912 CA ASP A 58 -0.162 7.025 7.760 1.00 0.00 C ATOM 913 C ASP A 58 0.238 5.551 7.842 1.00 0.00 C ATOM 914 O ASP A 58 1.392 5.241 8.137 1.00 0.00 O ATOM 915 CB ASP A 58 0.701 7.837 8.727 1.00 0.00 C ATOM 916 CG ASP A 58 0.547 9.326 8.441 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.300 9.668 7.296 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.686 10.105 9.369 1.00 0.00 O ATOM 0 H ASP A 58 -2.096 7.739 7.378 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.004 7.363 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.408 7.624 9.755 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.746 7.545 8.626 1.00 0.00 H new ATOM 923 N HIS A 59 -0.707 4.645 7.565 1.00 0.00 N ATOM 924 CA HIS A 59 -0.423 3.203 7.610 1.00 0.00 C ATOM 925 C HIS A 59 -1.681 2.392 7.284 1.00 0.00 C ATOM 926 O HIS A 59 -2.803 2.843 7.515 1.00 0.00 O ATOM 927 CB HIS A 59 0.146 2.794 9.006 1.00 0.00 C ATOM 928 CG HIS A 59 -0.889 2.092 9.856 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.703 2.774 10.746 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.232 0.767 9.972 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.487 1.865 11.356 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.241 0.627 10.919 1.00 0.00 N ATOM 0 H HIS A 59 -1.666 4.880 7.310 1.00 0.00 H new ATOM 0 HA HIS A 59 0.332 2.983 6.855 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.007 2.140 8.869 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.501 3.683 9.527 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.786 -0.043 9.413 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.225 2.107 12.107 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.696 -0.236 11.216 1.00 0.00 H new ATOM 940 N ILE A 60 -1.477 1.185 6.761 1.00 0.00 N ATOM 941 CA ILE A 60 -2.590 0.300 6.423 1.00 0.00 C ATOM 942 C ILE A 60 -2.160 -1.158 6.514 1.00 0.00 C ATOM 943 O ILE A 60 -1.026 -1.504 6.181 1.00 0.00 O ATOM 944 CB ILE A 60 -3.099 0.585 4.999 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.893 0.734 4.055 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.944 1.863 4.978 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.354 1.225 2.682 1.00 0.00 C ATOM 0 H ILE A 60 -0.554 0.798 6.562 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.392 0.488 7.137 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.725 -0.244 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.175 1.437 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.381 -0.223 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.296 2.050 3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.800 1.744 5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.338 2.705 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.491 1.326 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.054 0.507 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.845 2.192 2.788 1.00 0.00 H new ATOM 959 N ILE A 61 -3.087 -2.015 6.939 1.00 0.00 N ATOM 960 CA ILE A 61 -2.816 -3.448 7.038 1.00 0.00 C ATOM 961 C ILE A 61 -3.657 -4.185 6.006 1.00 0.00 C ATOM 962 O ILE A 61 -4.870 -4.324 6.164 1.00 0.00 O ATOM 963 CB ILE A 61 -3.170 -3.966 8.434 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.428 -3.150 9.504 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.777 -5.444 8.549 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.911 -3.174 9.262 1.00 0.00 C ATOM 0 H ILE A 61 -4.029 -1.743 7.219 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.755 -3.620 6.856 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.244 -3.862 8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.785 -2.120 9.494 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.649 -3.554 10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.030 -5.811 9.544 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.317 -6.023 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.705 -5.549 8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.410 -2.589 10.033 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.553 -4.203 9.297 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.692 -2.747 8.283 1.00 0.00 H new ATOM 978 N LEU A 62 -3.006 -4.667 4.955 1.00 0.00 N ATOM 979 CA LEU A 62 -3.695 -5.401 3.907 1.00 0.00 C ATOM 980 C LEU A 62 -3.630 -6.877 4.237 1.00 0.00 C ATOM 981 O LEU A 62 -2.577 -7.374 4.593 1.00 0.00 O ATOM 982 CB LEU A 62 -3.012 -5.153 2.562 1.00 0.00 C ATOM 983 CG LEU A 62 -2.885 -3.649 2.310 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.111 -3.430 1.009 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.280 -3.014 2.198 1.00 0.00 C ATOM 0 H LEU A 62 -2.002 -4.562 4.808 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.732 -5.070 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.025 -5.616 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.588 -5.617 1.761 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.355 -3.182 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.014 -2.361 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.120 -3.874 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.647 -3.898 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.179 -1.944 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.822 -3.471 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.829 -3.176 3.125 1.00 0.00 H new ATOM 997 N GLU A 63 -4.758 -7.566 4.137 1.00 0.00 N ATOM 998 CA GLU A 63 -4.818 -8.998 4.451 1.00 0.00 C ATOM 999 C GLU A 63 -5.261 -9.806 3.236 1.00 0.00 C ATOM 1000 O GLU A 63 -5.967 -9.301 2.367 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.799 -9.228 5.603 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.807 -10.706 5.998 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.707 -10.911 7.210 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.439 -9.992 7.541 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.653 -11.982 7.792 1.00 0.00 O ATOM 0 H GLU A 63 -5.647 -7.162 3.842 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.821 -9.329 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.516 -8.616 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.801 -8.917 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.160 -11.313 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.794 -11.037 6.226 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.830 -11.068 3.203 1.00 0.00 N ATOM 1013 CA HIS A 64 -5.161 -11.992 2.114 1.00 0.00 C ATOM 1014 C HIS A 64 -4.130 -11.895 0.991 1.00 0.00 C ATOM 1015 O HIS A 64 -4.486 -11.761 -0.180 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.568 -11.713 1.552 1.00 0.00 C ATOM 1017 CG HIS A 64 -7.114 -12.953 0.893 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -6.640 -13.408 -0.329 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -8.093 -13.840 1.268 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -7.328 -14.522 -0.641 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -8.226 -14.829 0.299 1.00 0.00 N ATOM 0 H HIS A 64 -4.243 -11.479 3.929 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.146 -13.001 2.526 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.233 -11.395 2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.525 -10.897 0.831 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.904 -12.977 -0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.672 -13.779 2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.173 -15.098 -1.542 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.847 -11.970 1.353 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.764 -11.897 0.368 1.00 0.00 C ATOM 1031 C LEU A 65 -1.049 -13.244 0.274 1.00 0.00 C ATOM 1032 O LEU A 65 -0.057 -13.475 0.960 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.755 -10.823 0.784 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.483 -9.504 1.071 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.455 -8.428 1.430 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.282 -9.068 -0.167 1.00 0.00 C ATOM 0 H LEU A 65 -2.533 -12.081 2.317 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.191 -11.644 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.210 -11.148 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.019 -10.677 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.171 -9.643 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.968 -7.488 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.102 -8.738 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.234 -8.291 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.797 -8.131 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.603 -8.928 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.014 -9.836 -0.416 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.560 -14.134 -0.571 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.959 -15.459 -0.726 1.00 0.00 C ATOM 1050 C GLN A 66 0.571 -15.372 -0.751 1.00 0.00 C ATOM 1051 O GLN A 66 1.153 -14.481 -1.367 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.497 -16.137 -2.011 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.446 -17.290 -1.651 1.00 0.00 C ATOM 1054 CD GLN A 66 -1.650 -18.462 -1.086 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -0.642 -18.865 -1.667 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -2.045 -19.038 0.016 1.00 0.00 N ATOM 0 H GLN A 66 -2.380 -13.967 -1.154 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.238 -16.069 0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.021 -15.404 -2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.665 -16.514 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.181 -16.953 -0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.998 -17.607 -2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.880 -18.703 0.496 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.518 -19.824 0.398 1.00 0.00 H new ATOM 1065 N TRP A 67 1.195 -16.313 -0.053 1.00 0.00 N ATOM 1066 CA TRP A 67 2.649 -16.377 0.047 1.00 0.00 C ATOM 1067 C TRP A 67 3.297 -16.664 -1.305 1.00 0.00 C ATOM 1068 O TRP A 67 4.426 -16.245 -1.563 1.00 0.00 O ATOM 1069 CB TRP A 67 3.031 -17.486 1.026 1.00 0.00 C ATOM 1070 CG TRP A 67 2.460 -17.187 2.375 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.277 -17.660 2.826 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.010 -16.366 3.447 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.074 -17.199 4.114 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.114 -16.397 4.539 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.190 -15.610 3.582 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.376 -15.702 5.722 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.456 -14.908 4.771 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.548 -14.958 5.840 1.00 0.00 C ATOM 0 H TRP A 67 0.710 -17.051 0.458 1.00 0.00 H new ATOM 0 HA TRP A 67 3.008 -15.409 0.396 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.658 -18.445 0.667 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.116 -17.570 1.090 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.601 -18.294 2.271 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.256 -17.424 4.680 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.896 -15.569 2.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.673 -15.741 6.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.363 -14.328 4.862 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.758 -14.420 6.753 1.00 0.00 H new ATOM 1089 N THR A 68 2.592 -17.408 -2.154 1.00 0.00 N ATOM 1090 CA THR A 68 3.120 -17.782 -3.467 1.00 0.00 C ATOM 1091 C THR A 68 2.590 -16.865 -4.560 1.00 0.00 C ATOM 1092 O THR A 68 2.592 -17.224 -5.738 1.00 0.00 O ATOM 1093 CB THR A 68 2.721 -19.226 -3.777 1.00 0.00 C ATOM 1094 OG1 THR A 68 1.310 -19.302 -3.917 1.00 0.00 O ATOM 1095 CG2 THR A 68 3.175 -20.137 -2.635 1.00 0.00 C ATOM 0 H THR A 68 1.656 -17.764 -1.959 1.00 0.00 H new ATOM 0 HA THR A 68 4.205 -17.686 -3.440 1.00 0.00 H new ATOM 0 HB THR A 68 3.196 -19.547 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.888 -19.188 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.891 -21.166 -2.855 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.258 -20.074 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.700 -19.821 -1.706 1.00 0.00 H new ATOM 1103 N MET A 69 2.142 -15.677 -4.168 1.00 0.00 N ATOM 1104 CA MET A 69 1.615 -14.712 -5.128 1.00 0.00 C ATOM 1105 C MET A 69 1.968 -13.295 -4.695 1.00 0.00 C ATOM 1106 O MET A 69 1.715 -12.899 -3.557 1.00 0.00 O ATOM 1107 CB MET A 69 0.092 -14.865 -5.242 1.00 0.00 C ATOM 1108 CG MET A 69 -0.509 -13.649 -5.967 1.00 0.00 C ATOM 1109 SD MET A 69 -2.113 -14.095 -6.678 1.00 0.00 S ATOM 1110 CE MET A 69 -1.532 -14.406 -8.364 1.00 0.00 C ATOM 0 H MET A 69 2.133 -15.360 -3.199 1.00 0.00 H new ATOM 0 HA MET A 69 2.064 -14.902 -6.103 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.150 -15.778 -5.786 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.347 -14.960 -4.249 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.627 -12.820 -5.270 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.167 -13.311 -6.753 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.356 -14.787 -8.968 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.162 -13.477 -8.798 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.728 -15.142 -8.342 1.00 0.00 H new ATOM 1120 N GLY A 70 2.547 -12.532 -5.614 1.00 0.00 N ATOM 1121 CA GLY A 70 2.923 -11.165 -5.318 1.00 0.00 C ATOM 1122 C GLY A 70 1.720 -10.242 -5.400 1.00 0.00 C ATOM 1123 O GLY A 70 0.698 -10.585 -5.993 1.00 0.00 O ATOM 0 H GLY A 70 2.763 -12.838 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.360 -11.112 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.689 -10.834 -6.020 1.00 0.00 H new ATOM 1127 N TYR A 71 1.852 -9.065 -4.799 1.00 0.00 N ATOM 1128 CA TYR A 71 0.773 -8.081 -4.804 1.00 0.00 C ATOM 1129 C TYR A 71 1.327 -6.669 -4.985 1.00 0.00 C ATOM 1130 O TYR A 71 2.236 -6.249 -4.271 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.017 -8.164 -3.481 1.00 0.00 C ATOM 1132 CG TYR A 71 -1.088 -9.230 -3.570 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.786 -10.562 -3.255 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.385 -8.880 -3.963 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -1.783 -11.540 -3.334 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -3.382 -9.861 -4.042 1.00 0.00 C ATOM 1137 CZ TYR A 71 -3.081 -11.190 -3.727 1.00 0.00 C ATOM 1138 OH TYR A 71 -4.063 -12.158 -3.806 1.00 0.00 O ATOM 0 H TYR A 71 2.693 -8.768 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 71 0.109 -8.303 -5.640 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.662 -8.390 -2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.473 -7.199 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.215 -10.833 -2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.617 -7.853 -4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.552 -12.567 -3.092 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.383 -9.591 -4.346 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.905 -11.747 -4.092 1.00 0.00 H new ATOM 1148 N GLU A 72 0.753 -5.935 -5.939 1.00 0.00 N ATOM 1149 CA GLU A 72 1.180 -4.558 -6.197 1.00 0.00 C ATOM 1150 C GLU A 72 0.357 -3.593 -5.351 1.00 0.00 C ATOM 1151 O GLU A 72 -0.772 -3.901 -4.981 1.00 0.00 O ATOM 1152 CB GLU A 72 0.993 -4.209 -7.683 1.00 0.00 C ATOM 1153 CG GLU A 72 1.332 -5.423 -8.540 1.00 0.00 C ATOM 1154 CD GLU A 72 1.542 -5.003 -9.992 1.00 0.00 C ATOM 1155 OE1 GLU A 72 2.195 -3.996 -10.208 1.00 0.00 O ATOM 1156 OE2 GLU A 72 1.051 -5.699 -10.865 1.00 0.00 O ATOM 0 H GLU A 72 -0.001 -6.266 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 72 2.235 -4.469 -5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.035 -3.897 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.634 -3.370 -7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.233 -5.905 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.528 -6.156 -8.479 1.00 0.00 H new ATOM 1163 N VAL A 73 0.918 -2.422 -5.054 1.00 0.00 N ATOM 1164 CA VAL A 73 0.203 -1.415 -4.262 1.00 0.00 C ATOM 1165 C VAL A 73 0.371 -0.044 -4.899 1.00 0.00 C ATOM 1166 O VAL A 73 1.467 0.332 -5.303 1.00 0.00 O ATOM 1167 CB VAL A 73 0.735 -1.369 -2.822 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.347 -0.813 -1.881 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.139 -2.779 -2.382 1.00 0.00 C ATOM 0 H VAL A 73 1.856 -2.146 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.852 -1.689 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 73 1.607 -0.716 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.038 -0.783 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.620 0.194 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.227 -1.455 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.517 -2.747 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.271 -3.437 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.917 -3.158 -3.045 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.718 0.701 -4.973 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.693 2.040 -5.547 1.00 0.00 C ATOM 1181 C GLN A 74 -1.306 3.022 -4.561 1.00 0.00 C ATOM 1182 O GLN A 74 -2.515 3.026 -4.329 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.457 2.034 -6.865 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.448 3.431 -7.493 1.00 0.00 C ATOM 1185 CD GLN A 74 -2.211 3.406 -8.813 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.978 2.478 -9.069 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.046 4.376 -9.669 1.00 0.00 N ATOM 0 H GLN A 74 -1.635 0.402 -4.642 1.00 0.00 H new ATOM 0 HA GLN A 74 0.334 2.349 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.006 1.317 -7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.484 1.711 -6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.904 4.149 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.422 3.758 -7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.410 5.143 -9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.553 4.367 -10.554 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.443 3.838 -3.973 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.855 4.832 -2.985 1.00 0.00 C ATOM 1198 C ILE A 75 -1.060 6.186 -3.652 1.00 0.00 C ATOM 1199 O ILE A 75 -0.206 6.658 -4.391 1.00 0.00 O ATOM 1200 CB ILE A 75 0.242 4.906 -1.888 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.073 3.939 -0.739 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.411 6.329 -1.333 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.128 2.502 -1.220 1.00 0.00 C ATOM 0 H ILE A 75 0.559 3.832 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.804 4.547 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 75 1.180 4.616 -2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.576 4.144 0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.099 4.081 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.189 6.332 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.694 7.003 -2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.530 6.663 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.095 1.812 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.539 2.302 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.162 2.366 -1.538 1.00 0.00 H new ATOM 1215 N THR A 76 -2.193 6.815 -3.365 1.00 0.00 N ATOM 1216 CA THR A 76 -2.488 8.130 -3.920 1.00 0.00 C ATOM 1217 C THR A 76 -3.043 9.013 -2.817 1.00 0.00 C ATOM 1218 O THR A 76 -4.062 8.697 -2.208 1.00 0.00 O ATOM 1219 CB THR A 76 -3.486 8.010 -5.071 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.083 6.959 -5.936 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.522 9.321 -5.853 1.00 0.00 C ATOM 0 H THR A 76 -2.919 6.439 -2.755 1.00 0.00 H new ATOM 0 HA THR A 76 -1.576 8.576 -4.316 1.00 0.00 H new ATOM 0 HB THR A 76 -4.477 7.796 -4.671 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.723 6.879 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.234 9.235 -6.674 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.827 10.131 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.531 9.533 -6.253 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.357 10.115 -2.552 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.774 11.035 -1.505 1.00 0.00 C ATOM 1231 C ALA A 77 -3.723 12.072 -2.102 1.00 0.00 C ATOM 1232 O ALA A 77 -3.408 12.689 -3.117 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.522 11.697 -0.905 1.00 0.00 C ATOM 0 H ALA A 77 -1.510 10.393 -3.047 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.303 10.509 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.819 12.390 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.870 10.930 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.989 12.240 -1.685 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.901 12.240 -1.494 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.895 13.184 -2.015 1.00 0.00 C ATOM 1241 C ALA A 78 -5.979 14.453 -1.178 1.00 0.00 C ATOM 1242 O ALA A 78 -6.469 14.442 -0.050 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.269 12.512 -2.050 1.00 0.00 C ATOM 0 H ALA A 78 -5.188 11.742 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.581 13.468 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.008 13.214 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.229 11.635 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.551 12.208 -1.042 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.529 15.560 -1.765 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.575 16.860 -1.103 1.00 0.00 C ATOM 1251 C ASN A 79 -6.573 17.754 -1.823 1.00 0.00 C ATOM 1252 O ASN A 79 -7.370 17.283 -2.634 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.181 17.506 -1.109 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.491 17.255 -2.445 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -4.127 16.806 -3.400 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.219 17.520 -2.572 1.00 0.00 N ATOM 0 H ASN A 79 -5.127 15.581 -2.702 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.889 16.729 -0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.268 18.578 -0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.579 17.097 -0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.750 17.355 -3.463 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.694 17.892 -1.780 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.527 19.035 -1.522 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.439 19.978 -2.148 1.00 0.00 C ATOM 1265 C ARG A 80 -7.368 19.844 -3.668 1.00 0.00 C ATOM 1266 O ARG A 80 -8.362 20.052 -4.363 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.091 21.406 -1.726 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.346 21.564 -0.227 1.00 0.00 C ATOM 1269 CD ARG A 80 -6.948 22.968 0.227 1.00 0.00 C ATOM 1270 NE ARG A 80 -7.811 23.965 -0.395 1.00 0.00 N ATOM 1271 CZ ARG A 80 -7.635 25.264 -0.173 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -6.669 25.667 0.606 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -8.430 26.134 -0.731 1.00 0.00 N ATOM 0 H ARG A 80 -5.875 19.448 -0.854 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.455 19.755 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.047 21.621 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.693 22.121 -2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.399 21.387 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.776 20.819 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.020 23.041 1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.908 23.162 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.564 23.660 -1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.049 24.986 1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.533 26.663 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.187 25.818 -1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.295 27.131 -0.561 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.195 19.473 -4.178 1.00 0.00 N ATOM 1288 CA LEU A 81 -6.025 19.290 -5.617 1.00 0.00 C ATOM 1289 C LEU A 81 -6.863 18.107 -6.088 1.00 0.00 C ATOM 1290 O LEU A 81 -7.493 18.153 -7.145 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.550 19.034 -5.970 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.702 20.312 -5.802 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -4.176 21.412 -6.771 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.794 20.814 -4.355 1.00 0.00 C ATOM 0 H LEU A 81 -5.358 19.295 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.352 20.202 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.153 18.245 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.476 18.679 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.665 20.071 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.565 22.304 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.080 21.059 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.219 21.653 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.193 21.716 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.833 21.038 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.422 20.045 -3.679 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.857 17.042 -5.286 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.611 15.826 -5.601 1.00 0.00 C ATOM 1308 C GLY A 82 -6.719 14.597 -5.478 1.00 0.00 C ATOM 1309 O GLY A 82 -7.083 13.615 -4.830 1.00 0.00 O ATOM 0 H GLY A 82 -6.337 16.996 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.462 15.734 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.012 15.892 -6.612 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.544 14.665 -6.096 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.583 13.566 -6.046 1.00 0.00 C ATOM 1315 C TYR A 83 -3.180 14.117 -6.267 1.00 0.00 C ATOM 1316 O TYR A 83 -2.982 14.977 -7.126 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.905 12.523 -7.121 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.400 12.350 -7.232 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.148 13.250 -8.003 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.043 11.297 -6.568 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.534 13.099 -8.110 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.432 11.147 -6.677 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.177 12.048 -7.447 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.546 11.903 -7.554 1.00 0.00 O ATOM 0 H TYR A 83 -5.233 15.471 -6.639 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.642 13.086 -5.069 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.494 12.837 -8.080 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.437 11.571 -6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.653 14.062 -8.515 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.469 10.602 -5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.108 13.794 -8.705 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.928 10.335 -6.166 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.834 11.124 -7.034 1.00 0.00 H new ATOM 1334 N SER A 84 -2.205 13.641 -5.500 1.00 0.00 N ATOM 1335 CA SER A 84 -0.847 14.141 -5.667 1.00 0.00 C ATOM 1336 C SER A 84 0.171 13.247 -4.974 1.00 0.00 C ATOM 1337 O SER A 84 -0.146 12.549 -4.012 1.00 0.00 O ATOM 1338 CB SER A 84 -0.742 15.555 -5.100 1.00 0.00 C ATOM 1339 OG SER A 84 0.567 16.056 -5.333 1.00 0.00 O ATOM 0 H SER A 84 -2.323 12.931 -4.777 1.00 0.00 H new ATOM 0 HA SER A 84 -0.626 14.146 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.481 16.204 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.957 15.548 -4.031 1.00 0.00 H new ATOM 0 HG SER A 84 0.540 16.721 -6.053 1.00 0.00 H new ATOM 1345 N GLU A 85 1.403 13.303 -5.464 1.00 0.00 N ATOM 1346 CA GLU A 85 2.488 12.526 -4.885 1.00 0.00 C ATOM 1347 C GLU A 85 2.092 11.059 -4.721 1.00 0.00 C ATOM 1348 O GLU A 85 2.152 10.512 -3.620 1.00 0.00 O ATOM 1349 CB GLU A 85 2.862 13.126 -3.523 1.00 0.00 C ATOM 1350 CG GLU A 85 4.298 12.747 -3.152 1.00 0.00 C ATOM 1351 CD GLU A 85 4.708 13.475 -1.879 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.033 13.303 -0.877 1.00 0.00 O ATOM 1353 OE2 GLU A 85 5.692 14.196 -1.924 1.00 0.00 O ATOM 0 H GLU A 85 1.674 13.879 -6.261 1.00 0.00 H new ATOM 0 HA GLU A 85 3.345 12.565 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.762 14.211 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.174 12.766 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.374 11.669 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.975 13.008 -3.966 1.00 0.00 H new ATOM 1360 N PRO A 86 1.705 10.418 -5.791 1.00 0.00 N ATOM 1361 CA PRO A 86 1.307 8.980 -5.769 1.00 0.00 C ATOM 1362 C PRO A 86 2.523 8.069 -5.647 1.00 0.00 C ATOM 1363 O PRO A 86 3.619 8.439 -6.070 1.00 0.00 O ATOM 1364 CB PRO A 86 0.622 8.787 -7.124 1.00 0.00 C ATOM 1365 CG PRO A 86 1.307 9.762 -8.021 1.00 0.00 C ATOM 1366 CD PRO A 86 1.609 10.985 -7.148 1.00 0.00 C ATOM 0 HA PRO A 86 0.669 8.732 -4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.735 7.765 -7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.448 8.986 -7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.223 9.339 -8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.672 10.030 -8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.537 11.473 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.819 11.733 -7.216 1.00 0.00 H new ATOM 1374 N THR A 87 2.328 6.865 -5.102 1.00 0.00 N ATOM 1375 CA THR A 87 3.421 5.908 -4.983 1.00 0.00 C ATOM 1376 C THR A 87 3.002 4.540 -5.472 1.00 0.00 C ATOM 1377 O THR A 87 2.110 3.903 -4.913 1.00 0.00 O ATOM 1378 CB THR A 87 3.908 5.766 -3.547 1.00 0.00 C ATOM 1379 OG1 THR A 87 4.171 7.045 -2.994 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.185 4.922 -3.525 1.00 0.00 C ATOM 0 H THR A 87 1.432 6.536 -4.741 1.00 0.00 H new ATOM 0 HA THR A 87 4.231 6.299 -5.599 1.00 0.00 H new ATOM 0 HB THR A 87 3.136 5.276 -2.953 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.482 6.944 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.535 4.819 -2.498 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.976 3.935 -3.938 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.954 5.410 -4.124 1.00 0.00 H new ATOM 1388 N VAL A 88 3.696 4.081 -6.490 1.00 0.00 N ATOM 1389 CA VAL A 88 3.456 2.758 -7.050 1.00 0.00 C ATOM 1390 C VAL A 88 4.467 1.798 -6.441 1.00 0.00 C ATOM 1391 O VAL A 88 5.597 1.684 -6.918 1.00 0.00 O ATOM 1392 CB VAL A 88 3.618 2.792 -8.572 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.345 1.403 -9.152 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.625 3.794 -9.168 1.00 0.00 C ATOM 0 H VAL A 88 4.438 4.605 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 88 2.441 2.433 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 88 4.636 3.093 -8.819 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.461 1.432 -10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.051 0.687 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.328 1.099 -8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.740 3.819 -10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.608 3.491 -8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.819 4.786 -8.760 1.00 0.00 H new ATOM 1404 N TYR A 89 4.061 1.122 -5.368 1.00 0.00 N ATOM 1405 CA TYR A 89 4.950 0.182 -4.673 1.00 0.00 C ATOM 1406 C TYR A 89 4.661 -1.245 -5.125 1.00 0.00 C ATOM 1407 O TYR A 89 3.509 -1.665 -5.165 1.00 0.00 O ATOM 1408 CB TYR A 89 4.758 0.306 -3.156 1.00 0.00 C ATOM 1409 CG TYR A 89 5.677 -0.655 -2.418 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.068 -0.604 -2.615 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.139 -1.589 -1.519 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.908 -1.482 -1.921 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.982 -2.466 -0.828 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.366 -2.412 -1.027 1.00 0.00 C ATOM 1415 OH TYR A 89 8.195 -3.275 -0.340 1.00 0.00 O ATOM 0 H TYR A 89 3.130 1.204 -4.960 1.00 0.00 H new ATOM 0 HA TYR A 89 5.984 0.424 -4.919 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.964 1.329 -2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.720 0.096 -2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.489 0.114 -3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.072 -1.631 -1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.976 -1.442 -2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.564 -3.186 -0.140 1.00 0.00 H new ATOM 0 HH TYR A 89 7.657 -3.854 0.239 1.00 0.00 H new ATOM 1425 N GLU A 90 5.710 -1.984 -5.480 1.00 0.00 N ATOM 1426 CA GLU A 90 5.549 -3.365 -5.944 1.00 0.00 C ATOM 1427 C GLU A 90 6.545 -4.293 -5.254 1.00 0.00 C ATOM 1428 O GLU A 90 7.740 -4.006 -5.192 1.00 0.00 O ATOM 1429 CB GLU A 90 5.759 -3.420 -7.460 1.00 0.00 C ATOM 1430 CG GLU A 90 6.939 -2.525 -7.841 1.00 0.00 C ATOM 1431 CD GLU A 90 7.288 -2.721 -9.313 1.00 0.00 C ATOM 1432 OE1 GLU A 90 7.111 -3.825 -9.801 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.723 -1.763 -9.930 1.00 0.00 O ATOM 0 H GLU A 90 6.675 -1.655 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 90 4.541 -3.699 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.950 -4.446 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.857 -3.091 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.689 -1.481 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.802 -2.763 -7.219 1.00 0.00 H new ATOM 1440 N PHE A 91 6.039 -5.411 -4.744 1.00 0.00 N ATOM 1441 CA PHE A 91 6.889 -6.386 -4.066 1.00 0.00 C ATOM 1442 C PHE A 91 6.188 -7.739 -3.980 1.00 0.00 C ATOM 1443 O PHE A 91 5.007 -7.815 -3.642 1.00 0.00 O ATOM 1444 CB PHE A 91 7.247 -5.885 -2.661 1.00 0.00 C ATOM 1445 CG PHE A 91 6.037 -5.980 -1.756 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.002 -5.046 -1.871 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.947 -7.010 -0.811 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.880 -5.138 -1.039 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.825 -7.102 0.021 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.791 -6.165 -0.093 1.00 0.00 C ATOM 0 H PHE A 91 5.052 -5.664 -4.786 1.00 0.00 H new ATOM 0 HA PHE A 91 7.806 -6.508 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.065 -6.477 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.594 -4.853 -2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.069 -4.254 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.744 -7.734 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.082 -4.415 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.757 -7.895 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.925 -6.235 0.549 1.00 0.00 H new ATOM 1460 N SER A 92 6.923 -8.804 -4.293 1.00 0.00 N ATOM 1461 CA SER A 92 6.360 -10.146 -4.248 1.00 0.00 C ATOM 1462 C SER A 92 6.348 -10.670 -2.812 1.00 0.00 C ATOM 1463 O SER A 92 7.074 -10.167 -1.953 1.00 0.00 O ATOM 1464 CB SER A 92 7.169 -11.083 -5.160 1.00 0.00 C ATOM 1465 OG SER A 92 8.510 -10.612 -5.239 1.00 0.00 O ATOM 0 H SER A 92 7.901 -8.762 -4.578 1.00 0.00 H new ATOM 0 HA SER A 92 5.331 -10.111 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.150 -12.099 -4.767 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.723 -11.117 -6.154 1.00 0.00 H new ATOM 0 HG SER A 92 9.032 -11.206 -5.818 1.00 0.00 H new ATOM 1471 N MET A 93 5.514 -11.679 -2.557 1.00 0.00 N ATOM 1472 CA MET A 93 5.406 -12.264 -1.221 1.00 0.00 C ATOM 1473 C MET A 93 6.320 -13.489 -1.087 1.00 0.00 C ATOM 1474 O MET A 93 6.428 -14.283 -2.021 1.00 0.00 O ATOM 1475 CB MET A 93 3.959 -12.691 -0.973 1.00 0.00 C ATOM 1476 CG MET A 93 3.066 -11.450 -0.909 1.00 0.00 C ATOM 1477 SD MET A 93 3.398 -10.540 0.623 1.00 0.00 S ATOM 1478 CE MET A 93 2.749 -11.766 1.788 1.00 0.00 C ATOM 0 H MET A 93 4.906 -12.106 -3.255 1.00 0.00 H new ATOM 0 HA MET A 93 5.711 -11.517 -0.489 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.622 -13.354 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.888 -13.252 -0.041 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.253 -10.810 -1.772 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.017 -11.742 -0.950 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.478 -11.273 2.722 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.867 -12.243 1.360 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.511 -12.521 1.984 1.00 0.00 H new ATOM 1488 N PRO A 94 6.964 -13.676 0.048 1.00 0.00 N ATOM 1489 CA PRO A 94 7.857 -14.854 0.268 1.00 0.00 C ATOM 1490 C PRO A 94 7.039 -16.132 0.439 1.00 0.00 C ATOM 1491 O PRO A 94 5.842 -16.071 0.704 1.00 0.00 O ATOM 1492 CB PRO A 94 8.609 -14.497 1.562 1.00 0.00 C ATOM 1493 CG PRO A 94 7.685 -13.585 2.303 1.00 0.00 C ATOM 1494 CD PRO A 94 6.918 -12.801 1.238 1.00 0.00 C ATOM 0 HA PRO A 94 8.527 -15.045 -0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.837 -15.389 2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.558 -14.007 1.345 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.003 -14.152 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.242 -12.913 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.892 -12.604 1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.383 -11.835 1.041 1.00 0.00 H new ATOM 1502 N PRO A 95 7.652 -17.275 0.298 1.00 0.00 N ATOM 1503 CA PRO A 95 6.952 -18.587 0.456 1.00 0.00 C ATOM 1504 C PRO A 95 6.465 -18.803 1.892 1.00 0.00 C ATOM 1505 O PRO A 95 7.045 -18.278 2.840 1.00 0.00 O ATOM 1506 CB PRO A 95 8.022 -19.621 0.061 1.00 0.00 C ATOM 1507 CG PRO A 95 9.325 -18.926 0.299 1.00 0.00 C ATOM 1508 CD PRO A 95 9.077 -17.457 -0.031 1.00 0.00 C ATOM 0 HA PRO A 95 6.053 -18.656 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.940 -20.526 0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.917 -19.921 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.649 -19.046 1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.111 -19.341 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.714 -16.798 0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.279 -17.240 -1.080 1.00 0.00 H new ATOM 1516 N LYS A 96 5.391 -19.580 2.032 1.00 0.00 N ATOM 1517 CA LYS A 96 4.816 -19.873 3.345 1.00 0.00 C ATOM 1518 C LYS A 96 5.928 -20.062 4.391 1.00 0.00 C ATOM 1519 O LYS A 96 6.886 -20.793 4.135 1.00 0.00 O ATOM 1520 CB LYS A 96 3.975 -21.159 3.247 1.00 0.00 C ATOM 1521 CG LYS A 96 3.268 -21.476 4.584 1.00 0.00 C ATOM 1522 CD LYS A 96 1.934 -20.709 4.680 1.00 0.00 C ATOM 1523 CE LYS A 96 0.871 -21.327 3.750 1.00 0.00 C ATOM 1524 NZ LYS A 96 -0.482 -21.074 4.318 1.00 0.00 N ATOM 0 H LYS A 96 4.901 -20.018 1.252 1.00 0.00 H new ATOM 0 HA LYS A 96 4.188 -19.038 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.231 -21.049 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.617 -21.994 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.085 -22.548 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.914 -21.202 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.575 -20.725 5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.092 -19.664 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.947 -20.894 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.040 -22.399 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.203 -21.489 3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.549 -21.507 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.640 -20.049 4.396 1.00 0.00 H new ATOM 1538 N PRO A 97 5.833 -19.454 5.561 1.00 0.00 N ATOM 1539 CA PRO A 97 6.878 -19.623 6.615 1.00 0.00 C ATOM 1540 C PRO A 97 6.907 -21.048 7.156 1.00 0.00 C ATOM 1541 O PRO A 97 5.899 -21.755 7.120 1.00 0.00 O ATOM 1542 CB PRO A 97 6.468 -18.622 7.704 1.00 0.00 C ATOM 1543 CG PRO A 97 5.000 -18.447 7.525 1.00 0.00 C ATOM 1544 CD PRO A 97 4.753 -18.550 6.022 1.00 0.00 C ATOM 0 HA PRO A 97 7.883 -19.443 6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.703 -19.001 8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.996 -17.675 7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.445 -19.213 8.067 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.671 -17.482 7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.766 -18.958 5.803 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.810 -17.575 5.537 1.00 0.00 H new ATOM 1552 N ASN A 98 8.065 -21.466 7.656 1.00 0.00 N ATOM 1553 CA ASN A 98 8.207 -22.811 8.198 1.00 0.00 C ATOM 1554 C ASN A 98 7.758 -22.859 9.656 1.00 0.00 C ATOM 1555 O ASN A 98 6.560 -22.892 9.943 1.00 0.00 O ATOM 1556 CB ASN A 98 9.665 -23.266 8.095 1.00 0.00 C ATOM 1557 CG ASN A 98 10.029 -23.517 6.636 1.00 0.00 C ATOM 1558 OD1 ASN A 98 9.146 -23.684 5.794 1.00 0.00 O ATOM 1559 ND2 ASN A 98 11.285 -23.556 6.283 1.00 0.00 N ATOM 0 H ASN A 98 8.911 -20.898 7.697 1.00 0.00 H new ATOM 0 HA ASN A 98 7.575 -23.481 7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.323 -22.506 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.813 -24.175 8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.536 -23.725 5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.016 -23.418 6.981 1.00 0.00 H new ATOM 1566 N ILE A 99 8.725 -22.871 10.573 1.00 0.00 N ATOM 1567 CA ILE A 99 8.428 -22.922 12.005 1.00 0.00 C ATOM 1568 C ILE A 99 8.498 -21.530 12.627 1.00 0.00 C ATOM 1569 O ILE A 99 8.211 -21.355 13.812 1.00 0.00 O ATOM 1570 CB ILE A 99 9.423 -23.855 12.704 1.00 0.00 C ATOM 1571 CG1 ILE A 99 10.856 -23.356 12.481 1.00 0.00 C ATOM 1572 CG2 ILE A 99 9.286 -25.266 12.131 1.00 0.00 C ATOM 1573 CD1 ILE A 99 11.825 -24.228 13.283 1.00 0.00 C ATOM 0 H ILE A 99 9.720 -22.846 10.350 1.00 0.00 H new ATOM 0 HA ILE A 99 7.415 -23.303 12.135 1.00 0.00 H new ATOM 0 HB ILE A 99 9.209 -23.867 13.773 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.106 -23.395 11.421 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.943 -22.315 12.791 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.993 -25.931 12.627 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.271 -25.628 12.295 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.496 -25.246 11.062 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.845 -23.877 13.127 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.578 -24.166 14.343 1.00 0.00 H new ATOM 0 HD13 ILE A 99 11.743 -25.263 12.951 1.00 0.00 H new ATOM 1585 N ILE A 100 8.885 -20.540 11.820 1.00 0.00 N ATOM 1586 CA ILE A 100 8.997 -19.161 12.290 1.00 0.00 C ATOM 1587 C ILE A 100 8.231 -18.218 11.369 1.00 0.00 C ATOM 1588 O ILE A 100 8.369 -18.276 10.147 1.00 0.00 O ATOM 1589 CB ILE A 100 10.467 -18.752 12.338 1.00 0.00 C ATOM 1590 CG1 ILE A 100 10.571 -17.319 12.860 1.00 0.00 C ATOM 1591 CG2 ILE A 100 11.077 -18.833 10.935 1.00 0.00 C ATOM 1592 CD1 ILE A 100 12.034 -16.977 13.165 1.00 0.00 C ATOM 0 H ILE A 100 9.126 -20.670 10.837 1.00 0.00 H new ATOM 0 HA ILE A 100 8.568 -19.097 13.290 1.00 0.00 H new ATOM 0 HB ILE A 100 11.010 -19.426 13.000 1.00 0.00 H new ATOM 0 HG12 ILE A 100 10.173 -16.624 12.121 1.00 0.00 H new ATOM 0 HG13 ILE A 100 9.967 -17.207 13.761 1.00 0.00 H new ATOM 0 HG21 ILE A 100 12.126 -18.540 10.977 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.000 -19.855 10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.539 -18.162 10.265 1.00 0.00 H new ATOM 0 HD11 ILE A 100 12.099 -15.954 13.536 1.00 0.00 H new ATOM 0 HD12 ILE A 100 12.418 -17.662 13.921 1.00 0.00 H new ATOM 0 HD13 ILE A 100 12.627 -17.071 12.255 1.00 0.00 H new ATOM 1604 N LYS A 101 7.419 -17.353 11.967 1.00 0.00 N ATOM 1605 CA LYS A 101 6.626 -16.401 11.198 1.00 0.00 C ATOM 1606 C LYS A 101 7.475 -15.202 10.789 1.00 0.00 C ATOM 1607 O LYS A 101 8.704 -15.256 10.834 1.00 0.00 O ATOM 1608 CB LYS A 101 5.435 -15.927 12.028 1.00 0.00 C ATOM 1609 CG LYS A 101 4.598 -17.140 12.437 1.00 0.00 C ATOM 1610 CD LYS A 101 3.267 -16.677 13.035 1.00 0.00 C ATOM 1611 CE LYS A 101 3.512 -15.953 14.363 1.00 0.00 C ATOM 1612 NZ LYS A 101 2.231 -15.860 15.118 1.00 0.00 N ATOM 0 H LYS A 101 7.293 -17.291 12.977 1.00 0.00 H new ATOM 0 HA LYS A 101 6.266 -16.899 10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.782 -15.393 12.913 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.829 -15.228 11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.416 -17.776 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.144 -17.741 13.164 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.757 -16.012 12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.613 -17.534 13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.256 -16.490 14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.912 -14.956 14.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.395 -15.369 16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.535 -15.330 14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.868 -16.817 15.305 1.00 0.00 H new ATOM 1626 N ASP A 102 6.814 -14.118 10.394 1.00 0.00 N ATOM 1627 CA ASP A 102 7.518 -12.914 9.987 1.00 0.00 C ATOM 1628 C ASP A 102 8.634 -13.249 9.002 1.00 0.00 C ATOM 1629 O ASP A 102 8.332 -13.833 7.974 1.00 0.00 O ATOM 1630 CB ASP A 102 8.099 -12.237 11.225 1.00 0.00 C ATOM 1631 CG ASP A 102 6.987 -11.579 12.037 1.00 0.00 C ATOM 1632 OD1 ASP A 102 5.900 -11.423 11.507 1.00 0.00 O ATOM 1633 OD2 ASP A 102 7.239 -11.243 13.183 1.00 0.00 O ATOM 0 H ASP A 102 5.797 -14.052 10.348 1.00 0.00 H new ATOM 0 HA ASP A 102 6.819 -12.241 9.491 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.621 -12.971 11.838 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.834 -11.489 10.928 1.00 0.00 H new TER 1638 ASP A 102