USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=32 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 25 GLN :FLIP amide:sc= -0.192 F(o=-1.9,f=-0.5) USER MOD Set 1.2: A 87 THR OG1 : rot -91:sc= -0.312 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -161:sc= -0.474 (180deg=-1.01) USER MOD Set 2.2: A 66 GLN :FLIP amide:sc= -0.639 F(o=-2.6,f=-1.1) USER MOD Set 3.1: A 13 SER OG : rot 7:sc= -0.156 USER MOD Set 3.2: A 17 SER OG : rot 48:sc= -0.627 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.532 USER MOD Single : A 7 SER OG : rot 130:sc= -0.696 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.251 F(o=-1.5!,f=-0.25) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= 1.2 (180deg=0.556) USER MOD Single : A 35 TYR OH : rot 87:sc= 0.0942 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 170:sc= 0.363 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00477) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -141:sc= -2.4! (180deg=-3.55!) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.48 F(o=-1.2,f=-0.48) USER MOD Single : A 56 ASN :FLIP amide:sc=-0.00166 F(o=-1.1,f=-0.0017) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 64 HIS : no HD1:sc= -6.96! C(o=-7!,f=-8.2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -165:sc= -0.513 (180deg=-0.739) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -6.42! C(o=-6.4!,f=-12!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 130:sc= -0.0989 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 93 MET CE :methyl -166:sc= -0.727 (180deg=-1.2) USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0.103 (180deg=0.0951) USER MOD Single : A 98 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.8!) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= -0.0837 (180deg=-0.827) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.662 21.348 -9.337 1.00 0.00 N ATOM 2 CA ARG A 1 2.649 20.075 -8.562 1.00 0.00 C ATOM 3 C ARG A 1 4.080 19.695 -8.187 1.00 0.00 C ATOM 4 O ARG A 1 4.956 19.601 -9.048 1.00 0.00 O ATOM 5 CB ARG A 1 2.013 18.972 -9.413 1.00 0.00 C ATOM 6 CG ARG A 1 1.930 17.678 -8.605 1.00 0.00 C ATOM 7 CD ARG A 1 1.252 16.598 -9.448 1.00 0.00 C ATOM 8 NE ARG A 1 -0.160 16.915 -9.626 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.921 16.219 -10.464 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.397 15.273 -11.192 1.00 0.00 N ATOM 11 NH2 ARG A 1 -2.192 16.493 -10.571 1.00 0.00 N ATOM 0 H1 ARG A 1 1.688 21.608 -9.593 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.081 22.103 -8.757 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.226 21.222 -10.202 1.00 0.00 H new ATOM 0 HA ARG A 1 2.066 20.201 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.016 19.276 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.603 18.811 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.929 17.354 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.368 17.845 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.741 16.523 -10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.357 15.628 -8.963 1.00 0.00 H new ATOM 0 HE ARG A 1 -0.571 17.685 -9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.599 15.066 -11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -0.983 14.740 -11.835 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -2.601 17.241 -10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.776 15.959 -11.214 1.00 0.00 H new ATOM 25 N GLU A 2 4.308 19.488 -6.891 1.00 0.00 N ATOM 26 CA GLU A 2 5.633 19.125 -6.380 1.00 0.00 C ATOM 27 C GLU A 2 5.580 17.773 -5.665 1.00 0.00 C ATOM 28 O GLU A 2 5.357 17.725 -4.455 1.00 0.00 O ATOM 29 CB GLU A 2 6.101 20.190 -5.386 1.00 0.00 C ATOM 30 CG GLU A 2 6.054 21.568 -6.050 1.00 0.00 C ATOM 31 CD GLU A 2 6.518 22.635 -5.064 1.00 0.00 C ATOM 32 OE1 GLU A 2 7.143 22.270 -4.082 1.00 0.00 O ATOM 33 OE2 GLU A 2 6.238 23.798 -5.303 1.00 0.00 O ATOM 0 H GLU A 2 3.590 19.565 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 2 6.325 19.059 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.465 20.180 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.115 19.970 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.690 21.577 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.040 21.786 -6.384 1.00 0.00 H new ATOM 40 N PRO A 3 5.781 16.679 -6.366 1.00 0.00 N ATOM 41 CA PRO A 3 5.755 15.332 -5.775 1.00 0.00 C ATOM 42 C PRO A 3 7.168 14.833 -5.518 1.00 0.00 C ATOM 43 O PRO A 3 8.118 15.617 -5.534 1.00 0.00 O ATOM 44 CB PRO A 3 5.070 14.518 -6.870 1.00 0.00 C ATOM 45 CG PRO A 3 5.515 15.161 -8.162 1.00 0.00 C ATOM 46 CD PRO A 3 6.064 16.564 -7.800 1.00 0.00 C ATOM 0 HA PRO A 3 5.249 15.277 -4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.365 13.470 -6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.985 14.548 -6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.283 14.559 -8.648 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.682 15.241 -8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.131 16.644 -8.007 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.569 17.349 -8.372 1.00 0.00 H new ATOM 54 N SER A 4 7.315 13.536 -5.294 1.00 0.00 N ATOM 55 CA SER A 4 8.638 12.986 -5.048 1.00 0.00 C ATOM 56 C SER A 4 8.601 11.452 -5.083 1.00 0.00 C ATOM 57 O SER A 4 7.536 10.849 -4.945 1.00 0.00 O ATOM 58 CB SER A 4 9.140 13.491 -3.690 1.00 0.00 C ATOM 59 OG SER A 4 9.757 12.426 -2.974 1.00 0.00 O ATOM 0 H SER A 4 6.553 12.858 -5.277 1.00 0.00 H new ATOM 0 HA SER A 4 9.322 13.315 -5.830 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.852 14.304 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.308 13.895 -3.113 1.00 0.00 H new ATOM 0 HG SER A 4 10.077 12.756 -2.108 1.00 0.00 H new ATOM 65 N PRO A 5 9.734 10.818 -5.275 1.00 0.00 N ATOM 66 CA PRO A 5 9.827 9.327 -5.343 1.00 0.00 C ATOM 67 C PRO A 5 9.014 8.643 -4.233 1.00 0.00 C ATOM 68 O PRO A 5 8.504 9.310 -3.335 1.00 0.00 O ATOM 69 CB PRO A 5 11.344 9.031 -5.221 1.00 0.00 C ATOM 70 CG PRO A 5 12.012 10.356 -4.958 1.00 0.00 C ATOM 71 CD PRO A 5 11.052 11.439 -5.451 1.00 0.00 C ATOM 0 HA PRO A 5 9.404 8.933 -6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.539 8.329 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.727 8.577 -6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.221 10.479 -3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.967 10.418 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.146 12.357 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.239 11.700 -6.493 1.00 0.00 H new ATOM 79 N PRO A 6 8.872 7.337 -4.303 1.00 0.00 N ATOM 80 CA PRO A 6 8.094 6.532 -3.314 1.00 0.00 C ATOM 81 C PRO A 6 8.203 6.970 -1.853 1.00 0.00 C ATOM 82 O PRO A 6 8.917 7.913 -1.513 1.00 0.00 O ATOM 83 CB PRO A 6 8.652 5.135 -3.507 1.00 0.00 C ATOM 84 CG PRO A 6 8.851 5.071 -4.969 1.00 0.00 C ATOM 85 CD PRO A 6 9.421 6.448 -5.353 1.00 0.00 C ATOM 0 HA PRO A 6 7.025 6.639 -3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.586 4.992 -2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.959 4.369 -3.158 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.539 4.270 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.912 4.874 -5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.511 6.448 -5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.102 6.754 -6.349 1.00 0.00 H new ATOM 93 N SER A 7 7.453 6.263 -1.001 1.00 0.00 N ATOM 94 CA SER A 7 7.416 6.552 0.429 1.00 0.00 C ATOM 95 C SER A 7 6.645 5.446 1.168 1.00 0.00 C ATOM 96 O SER A 7 5.896 5.711 2.109 1.00 0.00 O ATOM 97 CB SER A 7 6.755 7.925 0.638 1.00 0.00 C ATOM 98 OG SER A 7 7.601 8.731 1.447 1.00 0.00 O ATOM 0 H SER A 7 6.861 5.482 -1.284 1.00 0.00 H new ATOM 0 HA SER A 7 8.427 6.580 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.582 8.409 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.782 7.805 1.115 1.00 0.00 H new ATOM 0 HG SER A 7 7.727 9.604 1.020 1.00 0.00 H new ATOM 104 N ILE A 8 6.831 4.204 0.718 1.00 0.00 N ATOM 105 CA ILE A 8 6.154 3.049 1.309 1.00 0.00 C ATOM 106 C ILE A 8 7.163 1.998 1.736 1.00 0.00 C ATOM 107 O ILE A 8 8.098 1.670 1.007 1.00 0.00 O ATOM 108 CB ILE A 8 5.206 2.408 0.290 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.248 3.468 -0.299 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.407 1.292 0.975 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.068 3.733 0.628 1.00 0.00 C ATOM 0 H ILE A 8 7.449 3.972 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 8 5.595 3.402 2.175 1.00 0.00 H new ATOM 0 HB ILE A 8 5.790 1.986 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.793 4.396 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.881 3.130 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.731 0.833 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.093 0.538 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.829 1.711 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.416 4.483 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.509 2.809 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.434 4.096 1.588 1.00 0.00 H new ATOM 123 N HIS A 9 6.929 1.464 2.916 1.00 0.00 N ATOM 124 CA HIS A 9 7.762 0.413 3.489 1.00 0.00 C ATOM 125 C HIS A 9 6.899 -0.830 3.650 1.00 0.00 C ATOM 126 O HIS A 9 5.764 -0.847 3.187 1.00 0.00 O ATOM 127 CB HIS A 9 8.311 0.859 4.849 1.00 0.00 C ATOM 128 CG HIS A 9 9.475 1.793 4.638 1.00 0.00 C ATOM 129 ND1 HIS A 9 9.303 3.116 4.261 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.832 1.601 4.725 1.00 0.00 C ATOM 131 CE1 HIS A 9 10.526 3.662 4.132 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.493 2.782 4.403 1.00 0.00 N ATOM 0 H HIS A 9 6.151 1.745 3.513 1.00 0.00 H new ATOM 0 HA HIS A 9 8.610 0.201 2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.530 1.358 5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.627 -0.009 5.428 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.313 0.674 5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.704 4.688 3.844 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.500 2.941 4.379 1.00 0.00 H new ATOM 140 N GLY A 10 7.421 -1.865 4.289 1.00 0.00 N ATOM 141 CA GLY A 10 6.630 -3.079 4.483 1.00 0.00 C ATOM 142 C GLY A 10 7.272 -3.999 5.509 1.00 0.00 C ATOM 143 O GLY A 10 8.494 -4.120 5.583 1.00 0.00 O ATOM 0 H GLY A 10 8.365 -1.895 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.625 -2.812 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.528 -3.605 3.534 1.00 0.00 H new ATOM 147 N GLN A 11 6.425 -4.645 6.303 1.00 0.00 N ATOM 148 CA GLN A 11 6.886 -5.563 7.338 1.00 0.00 C ATOM 149 C GLN A 11 5.819 -6.647 7.567 1.00 0.00 C ATOM 150 O GLN A 11 4.711 -6.329 7.995 1.00 0.00 O ATOM 151 CB GLN A 11 7.128 -4.786 8.643 1.00 0.00 C ATOM 152 CG GLN A 11 8.156 -5.518 9.517 1.00 0.00 C ATOM 153 CD GLN A 11 9.545 -5.444 8.882 1.00 0.00 C ATOM 154 OE1 GLN A 11 9.840 -4.461 8.075 1.00 0.00 O flip ATOM 155 NE2 GLN A 11 10.387 -6.309 9.129 1.00 0.00 N flip ATOM 0 H GLN A 11 5.411 -4.549 6.249 1.00 0.00 H new ATOM 0 HA GLN A 11 7.818 -6.033 7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.484 -3.781 8.415 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.190 -4.676 9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.180 -5.073 10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.861 -6.560 9.641 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.159 -7.078 9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.312 -6.256 8.703 1.00 0.00 H new ATOM 164 N PRO A 12 6.101 -7.902 7.287 1.00 0.00 N ATOM 165 CA PRO A 12 5.096 -8.986 7.474 1.00 0.00 C ATOM 166 C PRO A 12 4.389 -8.907 8.825 1.00 0.00 C ATOM 167 O PRO A 12 4.954 -9.284 9.853 1.00 0.00 O ATOM 168 CB PRO A 12 5.921 -10.279 7.362 1.00 0.00 C ATOM 169 CG PRO A 12 7.114 -9.920 6.534 1.00 0.00 C ATOM 170 CD PRO A 12 7.379 -8.427 6.768 1.00 0.00 C ATOM 0 HA PRO A 12 4.294 -8.920 6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.220 -10.640 8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.342 -11.075 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.979 -10.517 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.927 -10.119 5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.189 -8.275 7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.668 -7.926 5.844 1.00 0.00 H new ATOM 178 N SER A 13 3.140 -8.447 8.811 1.00 0.00 N ATOM 179 CA SER A 13 2.361 -8.363 10.038 1.00 0.00 C ATOM 180 C SER A 13 1.795 -9.740 10.355 1.00 0.00 C ATOM 181 O SER A 13 1.916 -10.658 9.542 1.00 0.00 O ATOM 182 CB SER A 13 1.221 -7.355 9.880 1.00 0.00 C ATOM 183 OG SER A 13 0.479 -7.661 8.707 1.00 0.00 O ATOM 0 H SER A 13 2.653 -8.131 7.973 1.00 0.00 H new ATOM 0 HA SER A 13 3.003 -8.028 10.852 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.570 -7.386 10.754 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.622 -6.343 9.817 1.00 0.00 H new ATOM 0 HG SER A 13 0.796 -8.509 8.331 1.00 0.00 H new ATOM 189 N SER A 14 1.186 -9.894 11.526 1.00 0.00 N ATOM 190 CA SER A 14 0.621 -11.186 11.911 1.00 0.00 C ATOM 191 C SER A 14 -0.069 -11.853 10.721 1.00 0.00 C ATOM 192 O SER A 14 -1.134 -11.420 10.281 1.00 0.00 O ATOM 193 CB SER A 14 -0.383 -11.001 13.050 1.00 0.00 C ATOM 194 OG SER A 14 0.314 -10.634 14.233 1.00 0.00 O ATOM 0 H SER A 14 1.071 -9.153 12.217 1.00 0.00 H new ATOM 0 HA SER A 14 1.435 -11.828 12.247 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.110 -10.232 12.789 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.940 -11.924 13.213 1.00 0.00 H new ATOM 0 HG SER A 14 -0.326 -10.513 14.965 1.00 0.00 H new ATOM 200 N GLY A 15 0.561 -12.906 10.198 1.00 0.00 N ATOM 201 CA GLY A 15 0.020 -13.631 9.051 1.00 0.00 C ATOM 202 C GLY A 15 0.580 -13.090 7.738 1.00 0.00 C ATOM 203 O GLY A 15 1.646 -12.475 7.710 1.00 0.00 O ATOM 0 H GLY A 15 1.444 -13.274 10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.260 -14.690 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.067 -13.549 9.046 1.00 0.00 H new ATOM 207 N LYS A 16 -0.142 -13.342 6.650 1.00 0.00 N ATOM 208 CA LYS A 16 0.290 -12.899 5.327 1.00 0.00 C ATOM 209 C LYS A 16 0.058 -11.406 5.156 1.00 0.00 C ATOM 210 O LYS A 16 0.543 -10.797 4.204 1.00 0.00 O ATOM 211 CB LYS A 16 -0.479 -13.680 4.244 1.00 0.00 C ATOM 212 CG LYS A 16 -0.771 -15.096 4.755 1.00 0.00 C ATOM 213 CD LYS A 16 -1.170 -16.018 3.597 1.00 0.00 C ATOM 214 CE LYS A 16 -2.552 -15.632 3.075 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.062 -16.706 2.177 1.00 0.00 N ATOM 0 H LYS A 16 -1.027 -13.849 6.657 1.00 0.00 H new ATOM 0 HA LYS A 16 1.358 -13.093 5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.411 -13.168 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.107 -13.725 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.110 -15.495 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.572 -15.064 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.436 -15.946 2.794 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.175 -17.055 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.239 -15.484 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.497 -14.687 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.823 -16.326 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.288 -17.051 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.431 -17.491 2.750 1.00 0.00 H new ATOM 229 N SER A 17 -0.684 -10.814 6.078 1.00 0.00 N ATOM 230 CA SER A 17 -0.957 -9.392 5.988 1.00 0.00 C ATOM 231 C SER A 17 0.341 -8.597 6.082 1.00 0.00 C ATOM 232 O SER A 17 1.235 -8.943 6.852 1.00 0.00 O ATOM 233 CB SER A 17 -1.912 -8.967 7.100 1.00 0.00 C ATOM 234 OG SER A 17 -2.039 -7.552 7.090 1.00 0.00 O ATOM 0 H SER A 17 -1.100 -11.286 6.881 1.00 0.00 H new ATOM 0 HA SER A 17 -1.424 -9.188 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.887 -9.433 6.956 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.537 -9.304 8.066 1.00 0.00 H new ATOM 0 HG SER A 17 -2.212 -7.246 6.175 1.00 0.00 H new ATOM 240 N PHE A 18 0.445 -7.536 5.279 1.00 0.00 N ATOM 241 CA PHE A 18 1.648 -6.695 5.259 1.00 0.00 C ATOM 242 C PHE A 18 1.328 -5.296 5.778 1.00 0.00 C ATOM 243 O PHE A 18 0.308 -4.707 5.421 1.00 0.00 O ATOM 244 CB PHE A 18 2.192 -6.611 3.806 1.00 0.00 C ATOM 245 CG PHE A 18 3.635 -7.067 3.738 1.00 0.00 C ATOM 246 CD1 PHE A 18 3.935 -8.433 3.651 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.672 -6.131 3.757 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.269 -8.854 3.578 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.003 -6.554 3.685 1.00 0.00 C ATOM 250 CZ PHE A 18 6.301 -7.908 3.596 1.00 0.00 C ATOM 0 H PHE A 18 -0.287 -7.238 4.634 1.00 0.00 H new ATOM 0 HA PHE A 18 2.404 -7.138 5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.580 -7.229 3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.114 -5.586 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.138 -9.161 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.445 -5.077 3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.501 -9.906 3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.801 -5.826 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.330 -8.231 3.541 1.00 0.00 H new ATOM 260 N LYS A 19 2.222 -4.763 6.603 1.00 0.00 N ATOM 261 CA LYS A 19 2.052 -3.420 7.146 1.00 0.00 C ATOM 262 C LYS A 19 2.870 -2.442 6.318 1.00 0.00 C ATOM 263 O LYS A 19 4.080 -2.315 6.515 1.00 0.00 O ATOM 264 CB LYS A 19 2.528 -3.367 8.606 1.00 0.00 C ATOM 265 CG LYS A 19 2.337 -1.932 9.185 1.00 0.00 C ATOM 266 CD LYS A 19 3.671 -1.371 9.692 1.00 0.00 C ATOM 267 CE LYS A 19 3.483 0.097 10.077 1.00 0.00 C ATOM 268 NZ LYS A 19 4.786 0.668 10.522 1.00 0.00 N ATOM 0 H LYS A 19 3.070 -5.239 6.910 1.00 0.00 H new ATOM 0 HA LYS A 19 0.996 -3.154 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.968 -4.086 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.578 -3.653 8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.929 -1.276 8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.614 -1.956 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.017 -1.944 10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.435 -1.462 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.099 0.660 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.745 0.183 10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.656 1.666 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.135 0.137 11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.477 0.600 9.748 1.00 0.00 H new ATOM 282 N LEU A 20 2.216 -1.755 5.386 1.00 0.00 N ATOM 283 CA LEU A 20 2.914 -0.794 4.530 1.00 0.00 C ATOM 284 C LEU A 20 2.730 0.613 5.084 1.00 0.00 C ATOM 285 O LEU A 20 1.670 1.216 4.935 1.00 0.00 O ATOM 286 CB LEU A 20 2.383 -0.856 3.088 1.00 0.00 C ATOM 287 CG LEU A 20 2.159 -2.315 2.642 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.241 -2.339 1.421 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.495 -2.953 2.259 1.00 0.00 C ATOM 0 H LEU A 20 1.216 -1.842 5.203 1.00 0.00 H new ATOM 0 HA LEU A 20 3.974 -1.049 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.446 -0.303 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.091 -0.371 2.415 1.00 0.00 H new ATOM 0 HG LEU A 20 1.707 -2.870 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.082 -3.370 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.283 -1.886 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.702 -1.778 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.329 -3.984 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.945 -2.392 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.165 -2.939 3.119 1.00 0.00 H new ATOM 301 N SER A 21 3.771 1.119 5.731 1.00 0.00 N ATOM 302 CA SER A 21 3.724 2.449 6.315 1.00 0.00 C ATOM 303 C SER A 21 3.703 3.518 5.231 1.00 0.00 C ATOM 304 O SER A 21 4.583 3.556 4.371 1.00 0.00 O ATOM 305 CB SER A 21 4.946 2.654 7.208 1.00 0.00 C ATOM 306 OG SER A 21 4.964 3.992 7.685 1.00 0.00 O ATOM 0 H SER A 21 4.656 0.629 5.864 1.00 0.00 H new ATOM 0 HA SER A 21 2.812 2.537 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.918 1.958 8.046 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.858 2.443 6.649 1.00 0.00 H new ATOM 0 HG SER A 21 5.747 4.124 8.259 1.00 0.00 H new ATOM 312 N ILE A 22 2.711 4.408 5.288 1.00 0.00 N ATOM 313 CA ILE A 22 2.619 5.486 4.314 1.00 0.00 C ATOM 314 C ILE A 22 3.356 6.693 4.890 1.00 0.00 C ATOM 315 O ILE A 22 2.880 7.316 5.839 1.00 0.00 O ATOM 316 CB ILE A 22 1.136 5.860 4.062 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.202 4.650 4.265 1.00 0.00 C ATOM 318 CG2 ILE A 22 0.966 6.403 2.639 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.529 3.506 3.299 1.00 0.00 C ATOM 0 H ILE A 22 1.971 4.401 5.990 1.00 0.00 H new ATOM 0 HA ILE A 22 3.059 5.174 3.367 1.00 0.00 H new ATOM 0 HB ILE A 22 0.862 6.627 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.288 4.294 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.832 4.962 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.079 6.663 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.586 7.291 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.270 5.642 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.153 2.674 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.418 3.854 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.555 3.175 3.461 1.00 0.00 H new ATOM 331 N THR A 23 4.515 7.023 4.330 1.00 0.00 N ATOM 332 CA THR A 23 5.273 8.156 4.835 1.00 0.00 C ATOM 333 C THR A 23 4.690 9.452 4.293 1.00 0.00 C ATOM 334 O THR A 23 4.364 9.551 3.114 1.00 0.00 O ATOM 335 CB THR A 23 6.746 8.021 4.440 1.00 0.00 C ATOM 336 OG1 THR A 23 7.339 6.973 5.192 1.00 0.00 O ATOM 337 CG2 THR A 23 7.490 9.329 4.722 1.00 0.00 C ATOM 0 H THR A 23 4.941 6.533 3.543 1.00 0.00 H new ATOM 0 HA THR A 23 5.208 8.173 5.923 1.00 0.00 H new ATOM 0 HB THR A 23 6.810 7.797 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.282 6.883 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.537 9.221 4.437 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.038 10.136 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.425 9.562 5.785 1.00 0.00 H new ATOM 345 N LYS A 24 4.559 10.437 5.165 1.00 0.00 N ATOM 346 CA LYS A 24 4.016 11.728 4.776 1.00 0.00 C ATOM 347 C LYS A 24 4.900 12.355 3.713 1.00 0.00 C ATOM 348 O LYS A 24 5.987 12.856 4.006 1.00 0.00 O ATOM 349 CB LYS A 24 3.964 12.625 6.012 1.00 0.00 C ATOM 350 CG LYS A 24 2.887 12.102 6.990 1.00 0.00 C ATOM 351 CD LYS A 24 3.339 12.337 8.439 1.00 0.00 C ATOM 352 CE LYS A 24 4.429 11.309 8.833 1.00 0.00 C ATOM 353 NZ LYS A 24 3.866 10.372 9.848 1.00 0.00 N ATOM 0 H LYS A 24 4.821 10.368 6.148 1.00 0.00 H new ATOM 0 HA LYS A 24 3.013 11.606 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.937 12.642 6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.737 13.650 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.940 12.611 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.715 11.039 6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.728 13.350 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.486 12.250 9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.762 10.757 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.302 11.822 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.337 9.448 9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.022 10.758 10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.846 10.256 9.685 1.00 0.00 H new ATOM 367 N GLN A 25 4.426 12.321 2.476 1.00 0.00 N ATOM 368 CA GLN A 25 5.178 12.885 1.362 1.00 0.00 C ATOM 369 C GLN A 25 4.810 14.355 1.190 1.00 0.00 C ATOM 370 O GLN A 25 3.635 14.716 1.262 1.00 0.00 O ATOM 371 CB GLN A 25 4.852 12.125 0.069 1.00 0.00 C ATOM 372 CG GLN A 25 4.767 10.622 0.350 1.00 0.00 C ATOM 373 CD GLN A 25 4.544 9.866 -0.956 1.00 0.00 C ATOM 374 OE1 GLN A 25 3.472 9.136 -1.101 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 5.364 9.949 -1.870 1.00 0.00 N flip ATOM 0 H GLN A 25 3.528 11.911 2.218 1.00 0.00 H new ATOM 0 HA GLN A 25 6.244 12.795 1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.907 12.480 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.619 12.320 -0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.685 10.279 0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.951 10.418 1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.201 10.520 -1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.207 9.447 -2.744 1.00 0.00 H new ATOM 384 N ASP A 26 5.803 15.201 0.948 1.00 0.00 N ATOM 385 CA ASP A 26 5.520 16.615 0.757 1.00 0.00 C ATOM 386 C ASP A 26 4.485 16.761 -0.349 1.00 0.00 C ATOM 387 O ASP A 26 4.828 16.782 -1.531 1.00 0.00 O ATOM 388 CB ASP A 26 6.797 17.368 0.375 1.00 0.00 C ATOM 389 CG ASP A 26 7.795 17.326 1.530 1.00 0.00 C ATOM 390 OD1 ASP A 26 7.886 16.291 2.172 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.452 18.329 1.754 1.00 0.00 O ATOM 0 H ASP A 26 6.787 14.941 0.881 1.00 0.00 H new ATOM 0 HA ASP A 26 5.137 17.037 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.240 16.921 -0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.559 18.402 0.127 1.00 0.00 H new ATOM 396 N ASP A 27 3.215 16.824 0.040 1.00 0.00 N ATOM 397 CA ASP A 27 2.136 16.928 -0.937 1.00 0.00 C ATOM 398 C ASP A 27 2.476 17.950 -2.015 1.00 0.00 C ATOM 399 O ASP A 27 3.471 18.668 -1.918 1.00 0.00 O ATOM 400 CB ASP A 27 0.819 17.314 -0.254 1.00 0.00 C ATOM 401 CG ASP A 27 -0.347 17.025 -1.195 1.00 0.00 C ATOM 402 OD1 ASP A 27 -0.452 15.897 -1.644 1.00 0.00 O ATOM 403 OD2 ASP A 27 -1.116 17.936 -1.454 1.00 0.00 O ATOM 0 H ASP A 27 2.910 16.805 1.013 1.00 0.00 H new ATOM 0 HA ASP A 27 2.017 15.951 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.700 16.753 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.832 18.371 0.013 1.00 0.00 H new ATOM 408 N GLY A 28 1.642 18.002 -3.046 1.00 0.00 N ATOM 409 CA GLY A 28 1.862 18.928 -4.147 1.00 0.00 C ATOM 410 C GLY A 28 1.849 20.373 -3.656 1.00 0.00 C ATOM 411 O GLY A 28 2.544 21.229 -4.201 1.00 0.00 O ATOM 0 H GLY A 28 0.812 17.417 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.818 18.711 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.089 18.790 -4.903 1.00 0.00 H new ATOM 415 N GLY A 29 1.055 20.640 -2.622 1.00 0.00 N ATOM 416 CA GLY A 29 0.974 21.992 -2.072 1.00 0.00 C ATOM 417 C GLY A 29 -0.255 22.198 -1.179 1.00 0.00 C ATOM 418 O GLY A 29 -0.584 23.332 -0.833 1.00 0.00 O ATOM 0 H GLY A 29 0.467 19.951 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.875 22.199 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.947 22.711 -2.891 1.00 0.00 H new ATOM 422 N ALA A 30 -0.934 21.113 -0.801 1.00 0.00 N ATOM 423 CA ALA A 30 -2.117 21.218 0.053 1.00 0.00 C ATOM 424 C ALA A 30 -2.220 19.983 0.954 1.00 0.00 C ATOM 425 O ALA A 30 -1.743 18.910 0.590 1.00 0.00 O ATOM 426 CB ALA A 30 -3.367 21.341 -0.823 1.00 0.00 C ATOM 0 H ALA A 30 -0.688 20.160 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.034 22.103 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.250 21.419 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.288 22.232 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.454 20.460 -1.459 1.00 0.00 H new ATOM 432 N PRO A 31 -2.816 20.107 2.115 1.00 0.00 N ATOM 433 CA PRO A 31 -2.950 18.957 3.058 1.00 0.00 C ATOM 434 C PRO A 31 -3.874 17.876 2.505 1.00 0.00 C ATOM 435 O PRO A 31 -4.861 18.173 1.830 1.00 0.00 O ATOM 436 CB PRO A 31 -3.514 19.600 4.336 1.00 0.00 C ATOM 437 CG PRO A 31 -4.231 20.820 3.861 1.00 0.00 C ATOM 438 CD PRO A 31 -3.430 21.332 2.661 1.00 0.00 C ATOM 0 HA PRO A 31 -2.005 18.443 3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.190 18.921 4.856 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.718 19.855 5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.256 20.585 3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.284 21.574 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.072 21.821 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.677 22.060 2.961 1.00 0.00 H new ATOM 446 N ILE A 32 -3.536 16.621 2.787 1.00 0.00 N ATOM 447 CA ILE A 32 -4.326 15.487 2.308 1.00 0.00 C ATOM 448 C ILE A 32 -5.356 15.050 3.349 1.00 0.00 C ATOM 449 O ILE A 32 -5.040 14.898 4.529 1.00 0.00 O ATOM 450 CB ILE A 32 -3.396 14.308 1.995 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.426 14.689 0.834 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.250 13.075 1.612 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.970 14.380 1.215 1.00 0.00 C ATOM 0 H ILE A 32 -2.722 16.362 3.344 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.855 15.800 1.408 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.798 14.067 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.696 14.138 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.529 15.749 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.594 12.234 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.905 12.814 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.853 13.308 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.312 14.654 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.697 14.951 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.867 13.315 1.423 1.00 0.00 H new ATOM 465 N LEU A 33 -6.591 14.847 2.896 1.00 0.00 N ATOM 466 CA LEU A 33 -7.673 14.427 3.785 1.00 0.00 C ATOM 467 C LEU A 33 -7.854 12.909 3.764 1.00 0.00 C ATOM 468 O LEU A 33 -8.534 12.353 4.628 1.00 0.00 O ATOM 469 CB LEU A 33 -8.991 15.090 3.360 1.00 0.00 C ATOM 470 CG LEU A 33 -8.934 16.618 3.552 1.00 0.00 C ATOM 471 CD1 LEU A 33 -8.721 16.967 5.038 1.00 0.00 C ATOM 472 CD2 LEU A 33 -7.801 17.224 2.701 1.00 0.00 C ATOM 0 H LEU A 33 -6.868 14.966 1.921 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.407 14.735 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.196 14.860 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.813 14.678 3.945 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.884 17.040 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.683 18.050 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.546 16.567 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.783 16.532 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.774 18.304 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.847 16.792 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.980 17.005 1.648 1.00 0.00 H new ATOM 484 N GLU A 34 -7.255 12.234 2.785 1.00 0.00 N ATOM 485 CA GLU A 34 -7.389 10.782 2.704 1.00 0.00 C ATOM 486 C GLU A 34 -6.411 10.164 1.712 1.00 0.00 C ATOM 487 O GLU A 34 -5.961 10.819 0.771 1.00 0.00 O ATOM 488 CB GLU A 34 -8.811 10.410 2.290 1.00 0.00 C ATOM 489 CG GLU A 34 -9.184 11.151 1.009 1.00 0.00 C ATOM 490 CD GLU A 34 -10.642 10.871 0.654 1.00 0.00 C ATOM 491 OE1 GLU A 34 -10.896 9.846 0.044 1.00 0.00 O ATOM 492 OE2 GLU A 34 -11.481 11.685 1.001 1.00 0.00 O ATOM 0 H GLU A 34 -6.685 12.657 2.053 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.163 10.387 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.885 9.334 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.510 10.665 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.032 12.222 1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.534 10.834 0.193 1.00 0.00 H new ATOM 499 N TYR A 35 -6.113 8.882 1.928 1.00 0.00 N ATOM 500 CA TYR A 35 -5.207 8.127 1.061 1.00 0.00 C ATOM 501 C TYR A 35 -5.978 7.042 0.333 1.00 0.00 C ATOM 502 O TYR A 35 -6.425 6.071 0.939 1.00 0.00 O ATOM 503 CB TYR A 35 -4.118 7.449 1.910 1.00 0.00 C ATOM 504 CG TYR A 35 -3.122 8.432 2.513 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.129 9.810 2.210 1.00 0.00 C ATOM 506 CD2 TYR A 35 -2.184 7.936 3.410 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.207 10.664 2.823 1.00 0.00 C ATOM 508 CE2 TYR A 35 -1.259 8.796 4.016 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.275 10.159 3.725 1.00 0.00 C ATOM 510 OH TYR A 35 -0.366 11.005 4.326 1.00 0.00 O ATOM 0 H TYR A 35 -6.491 8.340 2.705 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.756 8.816 0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.592 6.885 2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.580 6.731 1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.846 10.205 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.168 6.881 3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.218 11.720 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.532 8.402 4.710 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.762 11.388 5.137 1.00 0.00 H new ATOM 520 N ILE A 36 -6.088 7.191 -0.977 1.00 0.00 N ATOM 521 CA ILE A 36 -6.759 6.188 -1.786 1.00 0.00 C ATOM 522 C ILE A 36 -5.710 5.187 -2.219 1.00 0.00 C ATOM 523 O ILE A 36 -4.849 5.488 -3.044 1.00 0.00 O ATOM 524 CB ILE A 36 -7.409 6.844 -2.999 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.480 7.824 -2.517 1.00 0.00 C ATOM 526 CG2 ILE A 36 -8.048 5.762 -3.878 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.998 8.648 -3.698 1.00 0.00 C ATOM 0 H ILE A 36 -5.725 7.989 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.546 5.692 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.660 7.381 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.302 7.279 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.065 8.484 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.514 6.227 -4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.281 5.062 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.804 5.226 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.761 9.344 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.173 9.206 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.430 7.982 -4.445 1.00 0.00 H new ATOM 539 N VAL A 37 -5.762 4.006 -1.616 1.00 0.00 N ATOM 540 CA VAL A 37 -4.787 2.966 -1.892 1.00 0.00 C ATOM 541 C VAL A 37 -5.428 1.833 -2.672 1.00 0.00 C ATOM 542 O VAL A 37 -6.487 1.330 -2.298 1.00 0.00 O ATOM 543 CB VAL A 37 -4.230 2.457 -0.554 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.043 1.491 -0.792 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.794 3.667 0.305 1.00 0.00 C ATOM 0 H VAL A 37 -6.472 3.747 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.976 3.367 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.005 1.903 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.661 1.141 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.380 0.639 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.251 2.013 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.397 3.313 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.024 4.229 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.653 4.312 0.487 1.00 0.00 H new ATOM 555 N LYS A 38 -4.785 1.441 -3.770 1.00 0.00 N ATOM 556 CA LYS A 38 -5.298 0.367 -4.616 1.00 0.00 C ATOM 557 C LYS A 38 -4.243 -0.719 -4.759 1.00 0.00 C ATOM 558 O LYS A 38 -3.056 -0.427 -4.836 1.00 0.00 O ATOM 559 CB LYS A 38 -5.654 0.928 -5.995 1.00 0.00 C ATOM 560 CG LYS A 38 -6.785 1.948 -5.853 1.00 0.00 C ATOM 561 CD LYS A 38 -7.075 2.602 -7.210 1.00 0.00 C ATOM 562 CE LYS A 38 -7.901 1.664 -8.097 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.443 2.434 -9.252 1.00 0.00 N ATOM 0 H LYS A 38 -3.909 1.851 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.191 -0.059 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.780 1.398 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.959 0.120 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.683 1.458 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.509 2.710 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.614 3.538 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.138 2.850 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.282 0.840 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.716 1.225 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.005 1.802 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.047 3.205 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.656 2.833 -9.803 1.00 0.00 H new ATOM 577 N TYR A 39 -4.672 -1.977 -4.787 1.00 0.00 N ATOM 578 CA TYR A 39 -3.728 -3.089 -4.914 1.00 0.00 C ATOM 579 C TYR A 39 -4.318 -4.209 -5.766 1.00 0.00 C ATOM 580 O TYR A 39 -5.533 -4.306 -5.930 1.00 0.00 O ATOM 581 CB TYR A 39 -3.358 -3.621 -3.524 1.00 0.00 C ATOM 582 CG TYR A 39 -4.597 -4.106 -2.807 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.483 -3.185 -2.238 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.857 -5.478 -2.709 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.632 -3.637 -1.573 1.00 0.00 C ATOM 586 CE2 TYR A 39 -6.001 -5.930 -2.044 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.891 -5.009 -1.476 1.00 0.00 C ATOM 588 OH TYR A 39 -8.021 -5.456 -0.820 1.00 0.00 O ATOM 0 H TYR A 39 -5.652 -2.253 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.828 -2.723 -5.409 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.640 -4.436 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.875 -2.836 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.282 -2.126 -2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.173 -6.189 -3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.317 -2.926 -1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.199 -6.989 -1.968 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.049 -6.435 -0.846 1.00 0.00 H new ATOM 598 N ARG A 40 -3.441 -5.043 -6.317 1.00 0.00 N ATOM 599 CA ARG A 40 -3.870 -6.154 -7.165 1.00 0.00 C ATOM 600 C ARG A 40 -2.871 -7.304 -7.087 1.00 0.00 C ATOM 601 O ARG A 40 -1.927 -7.257 -6.307 1.00 0.00 O ATOM 602 CB ARG A 40 -3.988 -5.692 -8.620 1.00 0.00 C ATOM 603 CG ARG A 40 -2.643 -5.105 -9.118 1.00 0.00 C ATOM 604 CD ARG A 40 -2.475 -5.320 -10.641 1.00 0.00 C ATOM 605 NE ARG A 40 -1.597 -6.465 -10.884 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.792 -6.522 -11.946 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.746 -5.530 -12.791 1.00 0.00 N ATOM 608 NH2 ARG A 40 -0.040 -7.571 -12.140 1.00 0.00 N ATOM 0 H ARG A 40 -2.431 -4.972 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.841 -6.497 -6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.280 -6.531 -9.251 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.773 -4.940 -8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.600 -4.040 -8.890 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.817 -5.578 -8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.447 -5.491 -11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.056 -4.425 -11.100 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.601 -7.242 -10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.327 -4.705 -12.641 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.129 -5.579 -13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.068 -8.348 -11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.575 -7.614 -12.952 1.00 0.00 H new ATOM 622 N SER A 41 -3.072 -8.321 -7.926 1.00 0.00 N ATOM 623 CA SER A 41 -2.163 -9.473 -7.963 1.00 0.00 C ATOM 624 C SER A 41 -1.136 -9.285 -9.074 1.00 0.00 C ATOM 625 O SER A 41 -1.470 -8.807 -10.156 1.00 0.00 O ATOM 626 CB SER A 41 -2.956 -10.756 -8.216 1.00 0.00 C ATOM 627 OG SER A 41 -3.084 -10.958 -9.616 1.00 0.00 O ATOM 0 H SER A 41 -3.849 -8.373 -8.585 1.00 0.00 H new ATOM 0 HA SER A 41 -1.651 -9.549 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.450 -11.606 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.941 -10.686 -7.755 1.00 0.00 H new ATOM 0 HG SER A 41 -3.447 -11.852 -9.786 1.00 0.00 H new ATOM 633 N LYS A 42 0.113 -9.655 -8.814 1.00 0.00 N ATOM 634 CA LYS A 42 1.157 -9.498 -9.824 1.00 0.00 C ATOM 635 C LYS A 42 0.903 -10.394 -11.045 1.00 0.00 C ATOM 636 O LYS A 42 1.478 -10.171 -12.109 1.00 0.00 O ATOM 637 CB LYS A 42 2.546 -9.801 -9.217 1.00 0.00 C ATOM 638 CG LYS A 42 3.120 -8.545 -8.545 1.00 0.00 C ATOM 639 CD LYS A 42 4.572 -8.791 -8.137 1.00 0.00 C ATOM 640 CE LYS A 42 5.140 -7.525 -7.498 1.00 0.00 C ATOM 641 NZ LYS A 42 6.567 -7.753 -7.130 1.00 0.00 N ATOM 0 H LYS A 42 0.425 -10.058 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 42 1.135 -8.462 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.464 -10.607 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.224 -10.146 -9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.064 -7.698 -9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.526 -8.287 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.628 -9.623 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.164 -9.069 -9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.061 -6.688 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.562 -7.261 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.970 -6.876 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.625 -8.507 -6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.103 -8.035 -7.976 1.00 0.00 H new ATOM 655 N ASP A 43 0.053 -11.409 -10.892 1.00 0.00 N ATOM 656 CA ASP A 43 -0.243 -12.323 -12.004 1.00 0.00 C ATOM 657 C ASP A 43 -1.484 -11.889 -12.786 1.00 0.00 C ATOM 658 O ASP A 43 -1.612 -12.204 -13.970 1.00 0.00 O ATOM 659 CB ASP A 43 -0.449 -13.740 -11.473 1.00 0.00 C ATOM 660 CG ASP A 43 0.795 -14.188 -10.713 1.00 0.00 C ATOM 661 OD1 ASP A 43 1.810 -13.521 -10.836 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.714 -15.186 -10.014 1.00 0.00 O ATOM 0 H ASP A 43 -0.438 -11.621 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 43 0.609 -12.298 -12.683 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.319 -13.770 -10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.649 -14.423 -12.299 1.00 0.00 H new ATOM 667 N LYS A 44 -2.406 -11.184 -12.124 1.00 0.00 N ATOM 668 CA LYS A 44 -3.644 -10.734 -12.776 1.00 0.00 C ATOM 669 C LYS A 44 -3.726 -9.218 -12.790 1.00 0.00 C ATOM 670 O LYS A 44 -3.719 -8.567 -11.744 1.00 0.00 O ATOM 671 CB LYS A 44 -4.866 -11.312 -12.044 1.00 0.00 C ATOM 672 CG LYS A 44 -4.736 -12.839 -11.945 1.00 0.00 C ATOM 673 CD LYS A 44 -5.171 -13.508 -13.269 1.00 0.00 C ATOM 674 CE LYS A 44 -4.435 -14.837 -13.436 1.00 0.00 C ATOM 675 NZ LYS A 44 -5.173 -15.704 -14.399 1.00 0.00 N ATOM 0 H LYS A 44 -2.322 -10.913 -11.144 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.637 -11.092 -13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.943 -10.879 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.779 -11.049 -12.577 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.705 -13.108 -11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.351 -13.210 -11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.248 -13.675 -13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.951 -12.850 -14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.421 -14.659 -13.795 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.349 -15.339 -12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.669 -16.607 -14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.132 -15.885 -14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.233 -15.226 -15.321 1.00 0.00 H new ATOM 689 N GLU A 45 -3.803 -8.671 -13.998 1.00 0.00 N ATOM 690 CA GLU A 45 -3.889 -7.218 -14.188 1.00 0.00 C ATOM 691 C GLU A 45 -5.114 -6.863 -15.029 1.00 0.00 C ATOM 692 O GLU A 45 -4.994 -6.326 -16.131 1.00 0.00 O ATOM 693 CB GLU A 45 -2.618 -6.712 -14.878 1.00 0.00 C ATOM 694 CG GLU A 45 -2.601 -5.175 -14.897 1.00 0.00 C ATOM 695 CD GLU A 45 -1.267 -4.678 -15.443 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.492 -5.501 -15.901 1.00 0.00 O ATOM 697 OE2 GLU A 45 -1.036 -3.480 -15.389 1.00 0.00 O ATOM 0 H GLU A 45 -3.808 -9.208 -14.865 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.986 -6.740 -13.213 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.738 -7.086 -14.355 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.571 -7.096 -15.897 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.418 -4.801 -15.514 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.759 -4.788 -13.890 1.00 0.00 H new ATOM 704 N ASP A 46 -6.299 -7.158 -14.495 1.00 0.00 N ATOM 705 CA ASP A 46 -7.557 -6.857 -15.189 1.00 0.00 C ATOM 706 C ASP A 46 -8.421 -5.943 -14.327 1.00 0.00 C ATOM 707 O ASP A 46 -9.381 -5.345 -14.810 1.00 0.00 O ATOM 708 CB ASP A 46 -8.313 -8.153 -15.485 1.00 0.00 C ATOM 709 CG ASP A 46 -7.609 -8.925 -16.596 1.00 0.00 C ATOM 710 OD1 ASP A 46 -7.071 -8.283 -17.484 1.00 0.00 O ATOM 711 OD2 ASP A 46 -7.615 -10.143 -16.543 1.00 0.00 O ATOM 0 H ASP A 46 -6.417 -7.604 -13.586 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.330 -6.353 -16.128 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.369 -8.765 -14.585 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.337 -7.927 -15.781 1.00 0.00 H new ATOM 716 N GLN A 47 -8.063 -5.838 -13.051 1.00 0.00 N ATOM 717 CA GLN A 47 -8.806 -4.993 -12.123 1.00 0.00 C ATOM 718 C GLN A 47 -7.944 -4.648 -10.910 1.00 0.00 C ATOM 719 O GLN A 47 -6.941 -5.311 -10.642 1.00 0.00 O ATOM 720 CB GLN A 47 -10.081 -5.708 -11.673 1.00 0.00 C ATOM 721 CG GLN A 47 -9.716 -6.982 -10.908 1.00 0.00 C ATOM 722 CD GLN A 47 -10.978 -7.792 -10.626 1.00 0.00 C ATOM 723 OE1 GLN A 47 -11.448 -8.530 -11.492 1.00 0.00 O ATOM 724 NE2 GLN A 47 -11.561 -7.694 -9.462 1.00 0.00 N ATOM 0 H GLN A 47 -7.267 -6.325 -12.638 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.077 -4.068 -12.632 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.674 -5.049 -11.039 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.695 -5.956 -12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.012 -7.578 -11.489 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.220 -6.726 -9.972 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.170 -7.082 -8.746 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.407 -8.229 -9.269 1.00 0.00 H new ATOM 733 N TRP A 48 -8.342 -3.605 -10.182 1.00 0.00 N ATOM 734 CA TRP A 48 -7.606 -3.165 -8.991 1.00 0.00 C ATOM 735 C TRP A 48 -8.547 -3.033 -7.794 1.00 0.00 C ATOM 736 O TRP A 48 -9.639 -2.475 -7.904 1.00 0.00 O ATOM 737 CB TRP A 48 -6.941 -1.803 -9.255 1.00 0.00 C ATOM 738 CG TRP A 48 -5.657 -1.963 -10.010 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.549 -2.232 -11.331 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.296 -1.843 -9.503 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.206 -2.283 -11.668 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.393 -2.049 -10.573 1.00 0.00 C ATOM 743 CE3 TRP A 48 -3.763 -1.580 -8.231 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.012 -1.991 -10.383 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.375 -1.523 -8.039 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.501 -1.728 -9.111 1.00 0.00 C ATOM 0 H TRP A 48 -9.169 -3.047 -10.394 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.844 -3.912 -8.769 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.622 -1.167 -9.821 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.748 -1.300 -8.307 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.374 -2.382 -12.011 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -3.859 -2.470 -12.609 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.427 -1.420 -7.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.342 -2.149 -11.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.978 -1.319 -7.055 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.433 -1.683 -8.955 1.00 0.00 H new ATOM 757 N LEU A 49 -8.094 -3.520 -6.645 1.00 0.00 N ATOM 758 CA LEU A 49 -8.875 -3.421 -5.415 1.00 0.00 C ATOM 759 C LEU A 49 -8.695 -2.025 -4.832 1.00 0.00 C ATOM 760 O LEU A 49 -7.745 -1.337 -5.187 1.00 0.00 O ATOM 761 CB LEU A 49 -8.418 -4.484 -4.407 1.00 0.00 C ATOM 762 CG LEU A 49 -8.856 -5.883 -4.879 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.108 -6.945 -4.067 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.373 -6.069 -4.685 1.00 0.00 C ATOM 0 H LEU A 49 -7.193 -3.986 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.929 -3.594 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.334 -4.451 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.843 -4.273 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.623 -5.987 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.414 -7.938 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.035 -6.828 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.342 -6.826 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.664 -7.063 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.621 -5.959 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.909 -5.317 -5.264 1.00 0.00 H new ATOM 776 N GLU A 50 -9.616 -1.592 -3.965 1.00 0.00 N ATOM 777 CA GLU A 50 -9.535 -0.246 -3.368 1.00 0.00 C ATOM 778 C GLU A 50 -9.405 -0.316 -1.853 1.00 0.00 C ATOM 779 O GLU A 50 -9.964 -1.203 -1.206 1.00 0.00 O ATOM 780 CB GLU A 50 -10.786 0.565 -3.726 1.00 0.00 C ATOM 781 CG GLU A 50 -11.051 0.482 -5.238 1.00 0.00 C ATOM 782 CD GLU A 50 -11.805 -0.803 -5.579 1.00 0.00 C ATOM 783 OE1 GLU A 50 -12.631 -1.211 -4.780 1.00 0.00 O ATOM 784 OE2 GLU A 50 -11.553 -1.353 -6.639 1.00 0.00 O ATOM 0 H GLU A 50 -10.419 -2.143 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.647 0.240 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.646 0.184 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.653 1.605 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.631 1.347 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.106 0.511 -5.781 1.00 0.00 H new ATOM 791 N LYS A 51 -8.666 0.641 -1.291 1.00 0.00 N ATOM 792 CA LYS A 51 -8.457 0.715 0.148 1.00 0.00 C ATOM 793 C LYS A 51 -8.373 2.199 0.530 1.00 0.00 C ATOM 794 O LYS A 51 -7.413 2.881 0.183 1.00 0.00 O ATOM 795 CB LYS A 51 -7.162 -0.063 0.475 1.00 0.00 C ATOM 796 CG LYS A 51 -6.640 0.194 1.919 1.00 0.00 C ATOM 797 CD LYS A 51 -7.301 -0.765 2.952 1.00 0.00 C ATOM 798 CE LYS A 51 -8.353 -0.022 3.779 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.117 -1.004 4.601 1.00 0.00 N ATOM 0 H LYS A 51 -8.200 1.379 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.269 0.267 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.344 -1.130 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.388 0.217 -0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.558 0.064 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.843 1.227 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.764 -1.604 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.539 -1.180 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.872 0.714 4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.030 0.524 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.833 -0.502 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.586 -1.689 3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.465 -1.506 5.237 1.00 0.00 H new ATOM 813 N LYS A 52 -9.393 2.691 1.234 1.00 0.00 N ATOM 814 CA LYS A 52 -9.437 4.102 1.640 1.00 0.00 C ATOM 815 C LYS A 52 -8.901 4.257 3.054 1.00 0.00 C ATOM 816 O LYS A 52 -9.366 3.578 3.971 1.00 0.00 O ATOM 817 CB LYS A 52 -10.883 4.606 1.615 1.00 0.00 C ATOM 818 CG LYS A 52 -11.543 4.328 0.255 1.00 0.00 C ATOM 819 CD LYS A 52 -10.997 5.271 -0.825 1.00 0.00 C ATOM 820 CE LYS A 52 -11.744 5.008 -2.133 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.253 5.940 -3.185 1.00 0.00 N ATOM 0 H LYS A 52 -10.197 2.140 1.535 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.826 4.679 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.454 4.120 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.902 5.676 1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.363 3.293 -0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.623 4.452 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.126 6.309 -0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.928 5.109 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.593 3.976 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.815 5.143 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.054 6.259 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.801 6.763 -2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.561 5.450 -3.787 1.00 0.00 H new ATOM 835 N VAL A 53 -7.920 5.147 3.239 1.00 0.00 N ATOM 836 CA VAL A 53 -7.333 5.364 4.562 1.00 0.00 C ATOM 837 C VAL A 53 -7.233 6.853 4.878 1.00 0.00 C ATOM 838 O VAL A 53 -7.171 7.684 3.987 1.00 0.00 O ATOM 839 CB VAL A 53 -5.955 4.680 4.623 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.354 4.803 6.035 1.00 0.00 C ATOM 841 CG2 VAL A 53 -6.107 3.175 4.240 1.00 0.00 C ATOM 0 H VAL A 53 -7.521 5.722 2.497 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.979 4.921 5.320 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.284 5.171 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.380 4.314 6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.238 5.856 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.018 4.326 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.132 2.689 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.786 2.688 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.509 3.095 3.230 1.00 0.00 H new ATOM 851 N GLN A 54 -7.220 7.171 6.164 1.00 0.00 N ATOM 852 CA GLN A 54 -7.114 8.551 6.612 1.00 0.00 C ATOM 853 C GLN A 54 -5.720 9.081 6.284 1.00 0.00 C ATOM 854 O GLN A 54 -4.747 8.325 6.276 1.00 0.00 O ATOM 855 CB GLN A 54 -7.370 8.616 8.122 1.00 0.00 C ATOM 856 CG GLN A 54 -7.431 10.074 8.582 1.00 0.00 C ATOM 857 CD GLN A 54 -8.647 10.765 7.972 1.00 0.00 C ATOM 858 OE1 GLN A 54 -8.477 11.824 7.226 1.00 0.00 O flip ATOM 859 NE2 GLN A 54 -9.779 10.332 8.181 1.00 0.00 N flip ATOM 0 H GLN A 54 -7.282 6.488 6.919 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.855 9.167 6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.306 8.111 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.578 8.091 8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.485 10.118 9.670 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.520 10.595 8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.909 9.505 8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.588 10.800 7.772 1.00 0.00 H new ATOM 868 N GLY A 55 -5.629 10.372 5.987 1.00 0.00 N ATOM 869 CA GLY A 55 -4.347 10.971 5.628 1.00 0.00 C ATOM 870 C GLY A 55 -3.433 11.163 6.840 1.00 0.00 C ATOM 871 O GLY A 55 -2.324 11.681 6.708 1.00 0.00 O ATOM 0 H GLY A 55 -6.418 11.019 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.846 10.338 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.521 11.936 5.151 1.00 0.00 H new ATOM 875 N ASN A 56 -3.900 10.758 8.022 1.00 0.00 N ATOM 876 CA ASN A 56 -3.112 10.905 9.255 1.00 0.00 C ATOM 877 C ASN A 56 -2.713 9.547 9.824 1.00 0.00 C ATOM 878 O ASN A 56 -1.848 9.462 10.696 1.00 0.00 O ATOM 879 CB ASN A 56 -3.935 11.669 10.294 1.00 0.00 C ATOM 880 CG ASN A 56 -4.148 13.110 9.834 1.00 0.00 C ATOM 881 OD1 ASN A 56 -3.213 13.712 9.151 1.00 0.00 O flip ATOM 882 ND2 ASN A 56 -5.191 13.703 10.109 1.00 0.00 N flip ATOM 0 H ASN A 56 -4.815 10.327 8.156 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.202 11.455 9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.898 11.179 10.440 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.423 11.657 11.256 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.921 13.231 10.643 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.326 14.667 9.803 1.00 0.00 H new ATOM 889 N LYS A 57 -3.346 8.487 9.334 1.00 0.00 N ATOM 890 CA LYS A 57 -3.047 7.139 9.814 1.00 0.00 C ATOM 891 C LYS A 57 -1.593 6.767 9.520 1.00 0.00 C ATOM 892 O LYS A 57 -0.895 6.232 10.380 1.00 0.00 O ATOM 893 CB LYS A 57 -4.008 6.141 9.137 1.00 0.00 C ATOM 894 CG LYS A 57 -5.171 5.797 10.081 1.00 0.00 C ATOM 895 CD LYS A 57 -6.193 4.928 9.348 1.00 0.00 C ATOM 896 CE LYS A 57 -7.352 4.602 10.293 1.00 0.00 C ATOM 897 NZ LYS A 57 -8.363 3.774 9.574 1.00 0.00 N ATOM 0 H LYS A 57 -4.064 8.531 8.611 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.185 7.103 10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.395 6.569 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.469 5.233 8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.796 5.271 10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.646 6.712 10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.564 5.449 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.722 4.008 9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.983 4.066 11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.811 5.523 10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.150 3.553 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.723 4.301 8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.921 2.890 9.251 1.00 0.00 H new ATOM 911 N ASP A 58 -1.149 7.058 8.305 1.00 0.00 N ATOM 912 CA ASP A 58 0.221 6.768 7.901 1.00 0.00 C ATOM 913 C ASP A 58 0.553 5.275 8.034 1.00 0.00 C ATOM 914 O ASP A 58 1.676 4.923 8.397 1.00 0.00 O ATOM 915 CB ASP A 58 1.202 7.580 8.753 1.00 0.00 C ATOM 916 CG ASP A 58 0.964 9.072 8.544 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.554 9.440 7.456 1.00 0.00 O ATOM 918 OD2 ASP A 58 1.196 9.825 9.475 1.00 0.00 O ATOM 0 H ASP A 58 -1.718 7.495 7.580 1.00 0.00 H new ATOM 0 HA ASP A 58 0.316 7.046 6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.077 7.328 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.227 7.326 8.484 1.00 0.00 H new ATOM 923 N HIS A 59 -0.409 4.397 7.732 1.00 0.00 N ATOM 924 CA HIS A 59 -0.168 2.952 7.825 1.00 0.00 C ATOM 925 C HIS A 59 -1.437 2.186 7.456 1.00 0.00 C ATOM 926 O HIS A 59 -2.539 2.599 7.813 1.00 0.00 O ATOM 927 CB HIS A 59 0.326 2.571 9.255 1.00 0.00 C ATOM 928 CG HIS A 59 -0.682 1.710 9.984 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.756 2.247 10.679 1.00 0.00 N ATOM 930 CD2 HIS A 59 -0.796 0.349 10.112 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.463 1.219 11.187 1.00 0.00 C ATOM 932 NE2 HIS A 59 -1.922 0.040 10.871 1.00 0.00 N ATOM 0 H HIS A 59 -1.347 4.655 7.426 1.00 0.00 H new ATOM 0 HA HIS A 59 0.615 2.676 7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.274 2.039 9.183 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.513 3.478 9.829 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.115 -0.374 9.688 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.359 1.335 11.778 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.260 -0.887 11.130 1.00 0.00 H new ATOM 940 N ILE A 60 -1.270 1.063 6.748 1.00 0.00 N ATOM 941 CA ILE A 60 -2.421 0.254 6.341 1.00 0.00 C ATOM 942 C ILE A 60 -2.110 -1.236 6.372 1.00 0.00 C ATOM 943 O ILE A 60 -1.046 -1.676 5.933 1.00 0.00 O ATOM 944 CB ILE A 60 -2.850 0.671 4.935 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.793 0.246 3.913 1.00 0.00 C ATOM 946 CG2 ILE A 60 -2.995 2.187 4.901 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.086 0.918 2.563 1.00 0.00 C ATOM 0 H ILE A 60 -0.365 0.700 6.450 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.230 0.429 7.050 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.796 0.191 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.800 0.527 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.796 -0.838 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.301 2.501 3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.748 2.497 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.040 2.650 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.333 0.615 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.073 0.615 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.060 2.001 2.683 1.00 0.00 H new ATOM 959 N ILE A 61 -3.063 -2.010 6.894 1.00 0.00 N ATOM 960 CA ILE A 61 -2.916 -3.462 6.990 1.00 0.00 C ATOM 961 C ILE A 61 -3.832 -4.154 5.980 1.00 0.00 C ATOM 962 O ILE A 61 -5.056 -4.047 6.060 1.00 0.00 O ATOM 963 CB ILE A 61 -3.289 -3.922 8.401 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.511 -3.104 9.442 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.964 -5.408 8.568 1.00 0.00 C ATOM 966 CD1 ILE A 61 -1.000 -3.170 9.168 1.00 0.00 C ATOM 0 H ILE A 61 -3.947 -1.654 7.257 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.880 -3.725 6.775 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.358 -3.769 8.551 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.844 -2.067 9.419 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.721 -3.485 10.442 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.232 -5.728 9.575 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.530 -5.988 7.840 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.898 -5.567 8.409 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.468 -2.584 9.917 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.667 -4.207 9.215 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.792 -2.767 8.177 1.00 0.00 H new ATOM 978 N LEU A 62 -3.225 -4.873 5.038 1.00 0.00 N ATOM 979 CA LEU A 62 -3.966 -5.604 4.013 1.00 0.00 C ATOM 980 C LEU A 62 -3.887 -7.089 4.330 1.00 0.00 C ATOM 981 O LEU A 62 -2.872 -7.556 4.824 1.00 0.00 O ATOM 982 CB LEU A 62 -3.348 -5.335 2.630 1.00 0.00 C ATOM 983 CG LEU A 62 -3.853 -4.000 2.071 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.350 -2.838 2.932 1.00 0.00 C ATOM 985 CD2 LEU A 62 -3.337 -3.831 0.641 1.00 0.00 C ATOM 0 H LEU A 62 -2.212 -4.965 4.964 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.006 -5.278 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.261 -5.316 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.605 -6.144 1.946 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.943 -3.998 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.717 -1.897 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.715 -2.957 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.260 -2.832 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.692 -2.883 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.247 -3.839 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.704 -4.650 0.023 1.00 0.00 H new ATOM 997 N GLU A 63 -4.965 -7.821 4.074 1.00 0.00 N ATOM 998 CA GLU A 63 -5.009 -9.261 4.364 1.00 0.00 C ATOM 999 C GLU A 63 -4.952 -10.099 3.086 1.00 0.00 C ATOM 1000 O GLU A 63 -5.072 -9.572 1.980 1.00 0.00 O ATOM 1001 CB GLU A 63 -6.295 -9.602 5.117 1.00 0.00 C ATOM 1002 CG GLU A 63 -6.293 -8.918 6.487 1.00 0.00 C ATOM 1003 CD GLU A 63 -7.498 -9.382 7.296 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.557 -10.560 7.611 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -8.346 -8.557 7.587 1.00 0.00 O ATOM 0 H GLU A 63 -5.822 -7.448 3.667 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.136 -9.496 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.161 -9.278 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.379 -10.682 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.372 -9.154 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.321 -7.835 6.363 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.770 -11.409 3.276 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.694 -12.379 2.176 1.00 0.00 C ATOM 1014 C HIS A 64 -3.726 -11.938 1.079 1.00 0.00 C ATOM 1015 O HIS A 64 -4.139 -11.631 -0.039 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.088 -12.634 1.578 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.714 -11.342 1.132 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -7.469 -10.554 1.987 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -6.711 -10.688 -0.076 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -7.888 -9.483 1.289 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -7.453 -9.514 0.027 1.00 0.00 N ATOM 0 H HIS A 64 -4.671 -11.830 4.200 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.310 -13.307 2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.008 -13.317 0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.725 -13.117 2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.210 -11.032 -0.969 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.501 -8.694 1.699 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.627 -8.825 -0.705 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.427 -11.928 1.402 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.397 -11.542 0.425 1.00 0.00 C ATOM 1031 C LEU A 65 -0.812 -12.792 -0.256 1.00 0.00 C ATOM 1032 O LEU A 65 -0.107 -12.686 -1.257 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.263 -10.758 1.104 1.00 0.00 C ATOM 1034 CG LEU A 65 -0.710 -9.337 1.505 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.775 -8.420 0.274 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.081 -9.370 2.176 1.00 0.00 C ATOM 0 H LEU A 65 -2.065 -12.180 2.322 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.869 -10.905 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.072 -11.297 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.590 -10.694 0.428 1.00 0.00 H new ATOM 0 HG LEU A 65 0.026 -8.946 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.092 -7.423 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.210 -8.362 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.489 -8.824 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.376 -8.357 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.814 -9.787 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.033 -9.989 3.072 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.119 -13.968 0.303 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.636 -15.256 -0.229 1.00 0.00 C ATOM 1050 C GLN A 66 0.880 -15.254 -0.453 1.00 0.00 C ATOM 1051 O GLN A 66 1.427 -14.432 -1.187 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.379 -15.618 -1.535 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.588 -16.520 -1.226 1.00 0.00 C ATOM 1054 CD GLN A 66 -2.145 -17.975 -1.092 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.606 -18.700 -0.108 1.00 0.00 O flip ATOM 1056 NE2 GLN A 66 -1.364 -18.466 -1.906 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.706 -14.058 1.132 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.851 -16.017 0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.713 -14.709 -2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.701 -16.128 -2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.068 -16.193 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.329 -16.430 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.005 -17.899 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.076 -19.440 -1.813 1.00 0.00 H new ATOM 1065 N TRP A 67 1.533 -16.200 0.207 1.00 0.00 N ATOM 1066 CA TRP A 67 2.982 -16.350 0.140 1.00 0.00 C ATOM 1067 C TRP A 67 3.500 -16.647 -1.265 1.00 0.00 C ATOM 1068 O TRP A 67 4.616 -16.261 -1.610 1.00 0.00 O ATOM 1069 CB TRP A 67 3.414 -17.472 1.076 1.00 0.00 C ATOM 1070 CG TRP A 67 2.793 -17.258 2.417 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.600 -17.759 2.796 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.301 -16.490 3.552 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.348 -17.375 4.103 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.367 -16.589 4.610 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.468 -15.734 3.765 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.588 -15.953 5.841 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.690 -15.094 4.998 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.750 -15.205 6.034 1.00 0.00 C ATOM 0 H TRP A 67 1.074 -16.887 0.805 1.00 0.00 H new ATOM 0 HA TRP A 67 3.410 -15.394 0.440 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.110 -18.437 0.671 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.500 -17.491 1.164 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.948 -18.361 2.181 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.514 -17.639 4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.200 -15.644 2.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.862 -16.042 6.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.589 -14.514 5.148 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.926 -14.712 6.979 1.00 0.00 H new ATOM 1089 N THR A 68 2.715 -17.366 -2.060 1.00 0.00 N ATOM 1090 CA THR A 68 3.140 -17.742 -3.410 1.00 0.00 C ATOM 1091 C THR A 68 2.581 -16.792 -4.459 1.00 0.00 C ATOM 1092 O THR A 68 2.470 -17.147 -5.633 1.00 0.00 O ATOM 1093 CB THR A 68 2.673 -19.165 -3.701 1.00 0.00 C ATOM 1094 OG1 THR A 68 1.254 -19.193 -3.767 1.00 0.00 O ATOM 1095 CG2 THR A 68 3.154 -20.083 -2.577 1.00 0.00 C ATOM 0 H THR A 68 1.787 -17.700 -1.799 1.00 0.00 H new ATOM 0 HA THR A 68 4.227 -17.684 -3.457 1.00 0.00 H new ATOM 0 HB THR A 68 3.082 -19.503 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.953 -20.106 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.826 -21.103 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.242 -20.056 -2.526 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.737 -19.745 -1.628 1.00 0.00 H new ATOM 1103 N MET A 69 2.224 -15.583 -4.036 1.00 0.00 N ATOM 1104 CA MET A 69 1.674 -14.596 -4.959 1.00 0.00 C ATOM 1105 C MET A 69 1.974 -13.179 -4.480 1.00 0.00 C ATOM 1106 O MET A 69 1.675 -12.820 -3.339 1.00 0.00 O ATOM 1107 CB MET A 69 0.162 -14.801 -5.079 1.00 0.00 C ATOM 1108 CG MET A 69 -0.481 -13.602 -5.783 1.00 0.00 C ATOM 1109 SD MET A 69 -2.080 -14.094 -6.473 1.00 0.00 S ATOM 1110 CE MET A 69 -1.510 -14.356 -8.168 1.00 0.00 C ATOM 0 H MET A 69 2.304 -15.265 -3.070 1.00 0.00 H new ATOM 0 HA MET A 69 2.140 -14.729 -5.935 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.045 -15.714 -5.638 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.275 -14.927 -4.088 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.614 -12.781 -5.078 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.173 -13.239 -6.576 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.369 -14.409 -8.837 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.867 -13.528 -8.468 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.949 -15.289 -8.223 1.00 0.00 H new ATOM 1120 N GLY A 70 2.560 -12.377 -5.363 1.00 0.00 N ATOM 1121 CA GLY A 70 2.883 -11.001 -5.030 1.00 0.00 C ATOM 1122 C GLY A 70 1.694 -10.087 -5.265 1.00 0.00 C ATOM 1123 O GLY A 70 0.774 -10.419 -6.013 1.00 0.00 O ATOM 0 H GLY A 70 2.818 -12.657 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.192 -10.939 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.727 -10.666 -5.633 1.00 0.00 H new ATOM 1127 N TYR A 71 1.730 -8.927 -4.622 1.00 0.00 N ATOM 1128 CA TYR A 71 0.668 -7.932 -4.747 1.00 0.00 C ATOM 1129 C TYR A 71 1.278 -6.542 -4.908 1.00 0.00 C ATOM 1130 O TYR A 71 2.165 -6.157 -4.149 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.225 -7.945 -3.490 1.00 0.00 C ATOM 1132 CG TYR A 71 -1.255 -9.055 -3.566 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.911 -10.368 -3.219 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.565 -8.759 -3.970 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -1.879 -11.382 -3.278 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -3.528 -9.772 -4.030 1.00 0.00 C ATOM 1137 CZ TYR A 71 -3.184 -11.084 -3.685 1.00 0.00 C ATOM 1138 OH TYR A 71 -4.135 -12.083 -3.743 1.00 0.00 O ATOM 0 H TYR A 71 2.491 -8.649 -4.002 1.00 0.00 H new ATOM 0 HA TYR A 71 0.065 -8.175 -5.622 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.393 -8.078 -2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.728 -6.984 -3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.097 -10.599 -2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.831 -7.746 -4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.616 -12.394 -3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.536 -9.542 -4.342 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.988 -11.706 -4.044 1.00 0.00 H new ATOM 1148 N GLU A 72 0.783 -5.782 -5.881 1.00 0.00 N ATOM 1149 CA GLU A 72 1.277 -4.422 -6.100 1.00 0.00 C ATOM 1150 C GLU A 72 0.390 -3.454 -5.325 1.00 0.00 C ATOM 1151 O GLU A 72 -0.774 -3.751 -5.074 1.00 0.00 O ATOM 1152 CB GLU A 72 1.269 -4.074 -7.604 1.00 0.00 C ATOM 1153 CG GLU A 72 1.457 -5.349 -8.421 1.00 0.00 C ATOM 1154 CD GLU A 72 1.737 -5.006 -9.880 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.814 -3.828 -10.188 1.00 0.00 O ATOM 1156 OE2 GLU A 72 1.870 -5.928 -10.667 1.00 0.00 O ATOM 0 H GLU A 72 0.049 -6.078 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 72 2.306 -4.345 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.328 -3.593 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.065 -3.364 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.282 -5.932 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.563 -5.969 -8.351 1.00 0.00 H new ATOM 1163 N VAL A 73 0.940 -2.307 -4.934 1.00 0.00 N ATOM 1164 CA VAL A 73 0.168 -1.319 -4.176 1.00 0.00 C ATOM 1165 C VAL A 73 0.384 0.082 -4.735 1.00 0.00 C ATOM 1166 O VAL A 73 1.507 0.482 -5.025 1.00 0.00 O ATOM 1167 CB VAL A 73 0.569 -1.354 -2.698 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.529 -0.705 -1.843 1.00 0.00 C ATOM 1169 CG2 VAL A 73 0.761 -2.811 -2.269 1.00 0.00 C ATOM 0 H VAL A 73 1.905 -2.038 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.888 -1.571 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 73 1.498 -0.802 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.237 -0.733 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.667 0.331 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.463 -1.251 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.047 -2.846 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.171 -3.358 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.545 -3.268 -2.873 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.709 0.819 -4.888 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.660 2.180 -5.415 1.00 0.00 C ATOM 1181 C GLN A 74 -1.350 3.139 -4.454 1.00 0.00 C ATOM 1182 O GLN A 74 -2.569 3.118 -4.301 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.343 2.211 -6.780 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.396 3.642 -7.322 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.974 3.633 -8.734 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.438 2.520 -9.231 1.00 0.00 O flip ATOM 1187 NE2 GLN A 74 -2.008 4.667 -9.399 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.647 0.495 -4.653 1.00 0.00 H new ATOM 0 HA GLN A 74 0.378 2.493 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.803 1.572 -7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.353 1.810 -6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.009 4.266 -6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.396 4.076 -7.330 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.645 5.537 -9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.400 4.655 -10.341 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.544 3.974 -3.814 1.00 0.00 N ATOM 1197 CA ILE A 75 -1.036 4.958 -2.855 1.00 0.00 C ATOM 1198 C ILE A 75 -1.269 6.277 -3.557 1.00 0.00 C ATOM 1199 O ILE A 75 -0.433 6.739 -4.321 1.00 0.00 O ATOM 1200 CB ILE A 75 0.014 5.119 -1.734 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.183 4.029 -0.681 1.00 0.00 C ATOM 1202 CG2 ILE A 75 -0.080 6.490 -1.052 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.261 2.679 -1.242 1.00 0.00 C ATOM 0 H ILE A 75 0.468 3.990 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.980 4.627 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 75 0.998 5.033 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.391 4.268 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.231 3.983 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.676 6.560 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.086 7.275 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.070 6.610 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.118 1.906 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.333 2.438 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.315 2.728 -1.516 1.00 0.00 H new ATOM 1215 N THR A 76 -2.399 6.895 -3.268 1.00 0.00 N ATOM 1216 CA THR A 76 -2.710 8.193 -3.857 1.00 0.00 C ATOM 1217 C THR A 76 -3.239 9.115 -2.782 1.00 0.00 C ATOM 1218 O THR A 76 -4.225 8.817 -2.114 1.00 0.00 O ATOM 1219 CB THR A 76 -3.717 8.051 -4.995 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.354 6.949 -5.813 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.718 9.325 -5.843 1.00 0.00 C ATOM 0 H THR A 76 -3.112 6.528 -2.637 1.00 0.00 H new ATOM 0 HA THR A 76 -1.800 8.619 -4.279 1.00 0.00 H new ATOM 0 HB THR A 76 -4.711 7.889 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.001 6.856 -6.543 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.438 9.221 -6.655 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.994 10.176 -5.220 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.723 9.486 -6.258 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.556 10.234 -2.607 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.933 11.206 -1.596 1.00 0.00 C ATOM 1231 C ALA A 77 -3.886 12.227 -2.204 1.00 0.00 C ATOM 1232 O ALA A 77 -3.566 12.861 -3.210 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.647 11.880 -1.078 1.00 0.00 C ATOM 0 H ALA A 77 -1.735 10.492 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.446 10.725 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.904 12.616 -0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.989 11.125 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.138 12.376 -1.904 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.067 12.370 -1.607 1.00 0.00 N ATOM 1240 CA ALA A 78 -6.067 13.307 -2.129 1.00 0.00 C ATOM 1241 C ALA A 78 -6.119 14.593 -1.324 1.00 0.00 C ATOM 1242 O ALA A 78 -6.634 14.627 -0.205 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.448 12.652 -2.123 1.00 0.00 C ATOM 0 H ALA A 78 -5.355 11.858 -0.773 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.774 13.559 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.185 13.354 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.430 11.760 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.714 12.374 -1.103 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.613 15.667 -1.927 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.623 16.985 -1.302 1.00 0.00 C ATOM 1251 C ASN A 79 -6.602 17.874 -2.048 1.00 0.00 C ATOM 1252 O ASN A 79 -7.333 17.411 -2.922 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.220 17.614 -1.331 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.504 17.276 -2.636 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.619 16.159 -3.142 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.763 18.182 -3.215 1.00 0.00 N ATOM 0 H ASN A 79 -5.188 15.648 -2.854 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.928 16.884 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.299 18.696 -1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.636 17.251 -0.485 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.279 17.965 -4.086 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.668 19.107 -2.796 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.609 19.147 -1.708 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.507 20.082 -2.369 1.00 0.00 C ATOM 1265 C ARG A 80 -7.388 19.930 -3.884 1.00 0.00 C ATOM 1266 O ARG A 80 -8.341 20.183 -4.622 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.172 21.519 -1.961 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.477 21.709 -0.473 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.109 23.136 -0.057 1.00 0.00 C ATOM 1270 NE ARG A 80 -8.093 24.075 -0.579 1.00 0.00 N ATOM 1271 CZ ARG A 80 -7.938 25.387 -0.439 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -6.868 25.861 0.137 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -8.854 26.202 -0.886 1.00 0.00 N ATOM 0 H ARG A 80 -6.013 19.557 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.530 19.862 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.121 21.729 -2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.754 22.223 -2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.534 21.523 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.913 20.989 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.066 23.208 1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.117 23.389 -0.432 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.918 23.718 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.149 25.224 0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.750 26.869 0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.688 25.831 -1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.736 27.210 -0.779 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.213 19.493 -4.338 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.979 19.282 -5.764 1.00 0.00 C ATOM 1289 C LEU A 81 -6.871 18.144 -6.261 1.00 0.00 C ATOM 1290 O LEU A 81 -7.443 18.207 -7.349 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.508 18.910 -6.014 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.612 20.161 -5.962 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.895 21.094 -7.156 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.858 20.907 -4.645 1.00 0.00 C ATOM 0 H LEU A 81 -5.413 19.280 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.212 20.203 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.178 18.189 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.410 18.427 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.570 19.847 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.249 21.970 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.699 20.563 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.938 21.410 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.225 21.793 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.905 21.206 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.620 20.253 -3.806 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.962 17.096 -5.440 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.758 15.911 -5.762 1.00 0.00 C ATOM 1308 C GLY A 82 -6.902 14.660 -5.617 1.00 0.00 C ATOM 1309 O GLY A 82 -7.284 13.703 -4.943 1.00 0.00 O ATOM 0 H GLY A 82 -6.489 17.045 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.622 15.851 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.141 15.985 -6.780 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.732 14.692 -6.240 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.785 13.583 -6.171 1.00 0.00 C ATOM 1315 C TYR A 83 -3.388 14.125 -6.439 1.00 0.00 C ATOM 1316 O TYR A 83 -3.198 14.917 -7.362 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.137 12.502 -7.198 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.634 12.326 -7.246 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.402 13.130 -8.095 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.257 11.366 -6.437 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.791 12.976 -8.137 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.647 11.214 -6.480 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.414 12.019 -7.329 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.787 11.871 -7.371 1.00 0.00 O ATOM 0 H TYR A 83 -5.412 15.480 -6.804 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.829 13.129 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.761 12.783 -8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.657 11.560 -6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.922 13.870 -8.718 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.665 10.745 -5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.383 13.596 -8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.128 10.475 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.059 11.163 -6.750 1.00 0.00 H new ATOM 1334 N SER A 84 -2.409 13.725 -5.635 1.00 0.00 N ATOM 1335 CA SER A 84 -1.057 14.229 -5.834 1.00 0.00 C ATOM 1336 C SER A 84 -0.024 13.373 -5.123 1.00 0.00 C ATOM 1337 O SER A 84 -0.328 12.677 -4.152 1.00 0.00 O ATOM 1338 CB SER A 84 -0.964 15.664 -5.315 1.00 0.00 C ATOM 1339 OG SER A 84 0.363 16.142 -5.492 1.00 0.00 O ATOM 0 H SER A 84 -2.521 13.071 -4.860 1.00 0.00 H new ATOM 0 HA SER A 84 -0.845 14.196 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.667 16.303 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.238 15.700 -4.261 1.00 0.00 H new ATOM 0 HG SER A 84 0.340 17.015 -5.936 1.00 0.00 H new ATOM 1345 N GLU A 85 1.207 13.453 -5.608 1.00 0.00 N ATOM 1346 CA GLU A 85 2.307 12.709 -5.014 1.00 0.00 C ATOM 1347 C GLU A 85 1.896 11.271 -4.709 1.00 0.00 C ATOM 1348 O GLU A 85 1.911 10.844 -3.554 1.00 0.00 O ATOM 1349 CB GLU A 85 2.752 13.422 -3.726 1.00 0.00 C ATOM 1350 CG GLU A 85 4.207 13.073 -3.386 1.00 0.00 C ATOM 1351 CD GLU A 85 4.748 14.063 -2.361 1.00 0.00 C ATOM 1352 OE1 GLU A 85 3.978 14.483 -1.513 1.00 0.00 O ATOM 1353 OE2 GLU A 85 5.919 14.390 -2.442 1.00 0.00 O ATOM 0 H GLU A 85 1.468 14.025 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 85 3.135 12.672 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.651 14.500 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.101 13.132 -2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.265 12.059 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.818 13.099 -4.289 1.00 0.00 H new ATOM 1360 N PRO A 86 1.546 10.519 -5.721 1.00 0.00 N ATOM 1361 CA PRO A 86 1.141 9.093 -5.560 1.00 0.00 C ATOM 1362 C PRO A 86 2.360 8.212 -5.287 1.00 0.00 C ATOM 1363 O PRO A 86 3.477 8.566 -5.661 1.00 0.00 O ATOM 1364 CB PRO A 86 0.490 8.762 -6.906 1.00 0.00 C ATOM 1365 CG PRO A 86 1.202 9.633 -7.886 1.00 0.00 C ATOM 1366 CD PRO A 86 1.507 10.935 -7.138 1.00 0.00 C ATOM 0 HA PRO A 86 0.470 8.922 -4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.605 7.707 -7.155 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.580 8.971 -6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.119 9.159 -8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.584 9.821 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.456 11.367 -7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.739 11.688 -7.314 1.00 0.00 H new ATOM 1374 N THR A 87 2.142 7.065 -4.643 1.00 0.00 N ATOM 1375 CA THR A 87 3.229 6.140 -4.331 1.00 0.00 C ATOM 1376 C THR A 87 2.947 4.780 -4.943 1.00 0.00 C ATOM 1377 O THR A 87 2.087 4.040 -4.466 1.00 0.00 O ATOM 1378 CB THR A 87 3.385 5.982 -2.796 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.473 6.839 -2.137 1.00 0.00 O ATOM 1380 CG2 THR A 87 4.796 6.321 -2.345 1.00 0.00 C ATOM 0 H THR A 87 1.223 6.755 -4.328 1.00 0.00 H new ATOM 0 HA THR A 87 4.152 6.546 -4.746 1.00 0.00 H new ATOM 0 HB THR A 87 3.180 4.942 -2.542 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.903 7.702 -1.962 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.871 6.200 -1.264 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.505 5.654 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.025 7.353 -2.612 1.00 0.00 H new ATOM 1388 N VAL A 88 3.700 4.434 -5.971 1.00 0.00 N ATOM 1389 CA VAL A 88 3.541 3.134 -6.599 1.00 0.00 C ATOM 1390 C VAL A 88 4.548 2.170 -5.997 1.00 0.00 C ATOM 1391 O VAL A 88 5.721 2.159 -6.373 1.00 0.00 O ATOM 1392 CB VAL A 88 3.751 3.235 -8.112 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.529 1.860 -8.749 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.751 4.237 -8.699 1.00 0.00 C ATOM 0 H VAL A 88 4.420 5.026 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 88 2.529 2.771 -6.421 1.00 0.00 H new ATOM 0 HB VAL A 88 4.767 3.572 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.678 1.930 -9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.238 1.146 -8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.512 1.524 -8.544 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.899 4.310 -9.776 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.735 3.899 -8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.907 5.215 -8.244 1.00 0.00 H new ATOM 1404 N TYR A 89 4.084 1.374 -5.034 1.00 0.00 N ATOM 1405 CA TYR A 89 4.945 0.411 -4.343 1.00 0.00 C ATOM 1406 C TYR A 89 4.683 -1.007 -4.846 1.00 0.00 C ATOM 1407 O TYR A 89 3.537 -1.383 -5.097 1.00 0.00 O ATOM 1408 CB TYR A 89 4.692 0.488 -2.834 1.00 0.00 C ATOM 1409 CG TYR A 89 5.722 -0.321 -2.063 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.091 -0.023 -2.174 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.304 -1.357 -1.217 1.00 0.00 C ATOM 1412 CE1 TYR A 89 8.031 -0.762 -1.444 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.248 -2.094 -0.491 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.608 -1.797 -0.604 1.00 0.00 C ATOM 1415 OH TYR A 89 8.534 -2.525 0.114 1.00 0.00 O ATOM 0 H TYR A 89 3.116 1.376 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 89 5.986 0.660 -4.550 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.725 1.528 -2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.692 0.116 -2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.419 0.776 -2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.253 -1.587 -1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.083 -0.532 -1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.923 -2.894 0.158 1.00 0.00 H new ATOM 0 HH TYR A 89 8.073 -3.205 0.648 1.00 0.00 H new ATOM 1425 N GLU A 90 5.751 -1.790 -5.002 1.00 0.00 N ATOM 1426 CA GLU A 90 5.632 -3.170 -5.487 1.00 0.00 C ATOM 1427 C GLU A 90 6.522 -4.102 -4.665 1.00 0.00 C ATOM 1428 O GLU A 90 7.683 -3.790 -4.399 1.00 0.00 O ATOM 1429 CB GLU A 90 6.044 -3.226 -6.963 1.00 0.00 C ATOM 1430 CG GLU A 90 7.227 -2.282 -7.190 1.00 0.00 C ATOM 1431 CD GLU A 90 7.764 -2.452 -8.609 1.00 0.00 C ATOM 1432 OE1 GLU A 90 7.868 -3.585 -9.049 1.00 0.00 O ATOM 1433 OE2 GLU A 90 8.067 -1.448 -9.231 1.00 0.00 O ATOM 0 H GLU A 90 6.707 -1.496 -4.801 1.00 0.00 H new ATOM 0 HA GLU A 90 4.597 -3.496 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.318 -4.244 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.206 -2.938 -7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.915 -1.250 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.015 -2.492 -6.466 1.00 0.00 H new ATOM 1440 N PHE A 91 5.974 -5.250 -4.273 1.00 0.00 N ATOM 1441 CA PHE A 91 6.741 -6.213 -3.489 1.00 0.00 C ATOM 1442 C PHE A 91 6.054 -7.573 -3.447 1.00 0.00 C ATOM 1443 O PHE A 91 4.899 -7.685 -3.040 1.00 0.00 O ATOM 1444 CB PHE A 91 6.923 -5.691 -2.059 1.00 0.00 C ATOM 1445 CG PHE A 91 5.613 -5.785 -1.303 1.00 0.00 C ATOM 1446 CD1 PHE A 91 4.704 -4.723 -1.338 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.317 -6.937 -0.564 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.497 -4.810 -0.632 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.110 -7.025 0.140 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.200 -5.961 0.106 1.00 0.00 C ATOM 0 H PHE A 91 5.016 -5.533 -4.482 1.00 0.00 H new ATOM 0 HA PHE A 91 7.712 -6.335 -3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.691 -6.271 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.266 -4.657 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.932 -3.835 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.019 -7.757 -0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.796 -3.989 -0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.881 -7.914 0.709 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.269 -6.029 0.649 1.00 0.00 H new ATOM 1460 N SER A 92 6.788 -8.609 -3.842 1.00 0.00 N ATOM 1461 CA SER A 92 6.255 -9.959 -3.814 1.00 0.00 C ATOM 1462 C SER A 92 6.388 -10.531 -2.409 1.00 0.00 C ATOM 1463 O SER A 92 7.007 -9.917 -1.540 1.00 0.00 O ATOM 1464 CB SER A 92 6.982 -10.848 -4.820 1.00 0.00 C ATOM 1465 OG SER A 92 8.386 -10.672 -4.687 1.00 0.00 O ATOM 0 H SER A 92 7.747 -8.537 -4.182 1.00 0.00 H new ATOM 0 HA SER A 92 5.201 -9.927 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.719 -11.893 -4.653 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.669 -10.598 -5.834 1.00 0.00 H new ATOM 0 HG SER A 92 8.850 -11.245 -5.333 1.00 0.00 H new ATOM 1471 N MET A 93 5.781 -11.692 -2.174 1.00 0.00 N ATOM 1472 CA MET A 93 5.821 -12.311 -0.849 1.00 0.00 C ATOM 1473 C MET A 93 6.878 -13.416 -0.756 1.00 0.00 C ATOM 1474 O MET A 93 7.154 -14.105 -1.738 1.00 0.00 O ATOM 1475 CB MET A 93 4.480 -12.979 -0.550 1.00 0.00 C ATOM 1476 CG MET A 93 3.367 -11.954 -0.326 1.00 0.00 C ATOM 1477 SD MET A 93 2.112 -12.720 0.735 1.00 0.00 S ATOM 1478 CE MET A 93 2.594 -11.939 2.292 1.00 0.00 C ATOM 0 H MET A 93 5.260 -12.219 -2.875 1.00 0.00 H new ATOM 0 HA MET A 93 6.055 -11.513 -0.144 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.209 -13.634 -1.378 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.577 -13.608 0.335 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.765 -11.054 0.142 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.930 -11.651 -1.277 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.113 -12.455 3.122 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.676 -11.996 2.408 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.284 -10.894 2.286 1.00 0.00 H new ATOM 1488 N PRO A 94 7.398 -13.658 0.429 1.00 0.00 N ATOM 1489 CA PRO A 94 8.355 -14.777 0.675 1.00 0.00 C ATOM 1490 C PRO A 94 7.578 -16.090 0.790 1.00 0.00 C ATOM 1491 O PRO A 94 6.365 -16.067 0.997 1.00 0.00 O ATOM 1492 CB PRO A 94 8.988 -14.400 2.018 1.00 0.00 C ATOM 1493 CG PRO A 94 7.903 -13.671 2.741 1.00 0.00 C ATOM 1494 CD PRO A 94 7.151 -12.885 1.670 1.00 0.00 C ATOM 0 HA PRO A 94 9.093 -14.915 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.310 -15.284 2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.868 -13.771 1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.239 -14.366 3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.316 -13.005 3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.087 -12.819 1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.524 -11.864 1.587 1.00 0.00 H new ATOM 1502 N PRO A 95 8.222 -17.218 0.681 1.00 0.00 N ATOM 1503 CA PRO A 95 7.527 -18.537 0.803 1.00 0.00 C ATOM 1504 C PRO A 95 6.985 -18.757 2.215 1.00 0.00 C ATOM 1505 O PRO A 95 7.500 -18.196 3.184 1.00 0.00 O ATOM 1506 CB PRO A 95 8.624 -19.550 0.440 1.00 0.00 C ATOM 1507 CG PRO A 95 9.901 -18.851 0.772 1.00 0.00 C ATOM 1508 CD PRO A 95 9.664 -17.382 0.430 1.00 0.00 C ATOM 0 HA PRO A 95 6.652 -18.621 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.517 -20.473 1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.582 -19.820 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.152 -18.973 1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.732 -19.259 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.262 -16.719 1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.922 -17.161 -0.606 1.00 0.00 H new ATOM 1516 N LYS A 96 5.934 -19.563 2.315 1.00 0.00 N ATOM 1517 CA LYS A 96 5.306 -19.843 3.604 1.00 0.00 C ATOM 1518 C LYS A 96 6.370 -20.051 4.695 1.00 0.00 C ATOM 1519 O LYS A 96 7.334 -20.788 4.482 1.00 0.00 O ATOM 1520 CB LYS A 96 4.427 -21.102 3.476 1.00 0.00 C ATOM 1521 CG LYS A 96 3.702 -21.429 4.802 1.00 0.00 C ATOM 1522 CD LYS A 96 2.414 -20.586 4.937 1.00 0.00 C ATOM 1523 CE LYS A 96 1.247 -21.284 4.229 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.003 -20.483 4.423 1.00 0.00 N ATOM 0 H LYS A 96 5.499 -20.034 1.522 1.00 0.00 H new ATOM 0 HA LYS A 96 4.689 -18.991 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.691 -20.954 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.046 -21.949 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.454 -22.490 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.364 -21.229 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.175 -20.440 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.571 -19.597 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.463 -21.390 3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.112 -22.289 4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.772 -20.907 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.251 -20.475 5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.164 -19.508 4.098 1.00 0.00 H new ATOM 1538 N PRO A 97 6.217 -19.445 5.856 1.00 0.00 N ATOM 1539 CA PRO A 97 7.198 -19.613 6.973 1.00 0.00 C ATOM 1540 C PRO A 97 7.116 -21.006 7.601 1.00 0.00 C ATOM 1541 O PRO A 97 6.045 -21.610 7.652 1.00 0.00 O ATOM 1542 CB PRO A 97 6.785 -18.532 7.979 1.00 0.00 C ATOM 1543 CG PRO A 97 5.330 -18.320 7.744 1.00 0.00 C ATOM 1544 CD PRO A 97 5.112 -18.533 6.250 1.00 0.00 C ATOM 0 HA PRO A 97 8.230 -19.515 6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.976 -18.853 9.003 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.348 -17.612 7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.734 -19.020 8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.028 -17.316 8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.137 -18.976 6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.155 -17.592 5.701 1.00 0.00 H new ATOM 1552 N ASN A 98 8.252 -21.502 8.094 1.00 0.00 N ATOM 1553 CA ASN A 98 8.289 -22.816 8.737 1.00 0.00 C ATOM 1554 C ASN A 98 8.130 -22.662 10.251 1.00 0.00 C ATOM 1555 O ASN A 98 7.022 -22.774 10.777 1.00 0.00 O ATOM 1556 CB ASN A 98 9.611 -23.522 8.409 1.00 0.00 C ATOM 1557 CG ASN A 98 9.562 -24.969 8.886 1.00 0.00 C ATOM 1558 OD1 ASN A 98 8.480 -25.524 9.077 1.00 0.00 O ATOM 1559 ND2 ASN A 98 10.676 -25.621 9.084 1.00 0.00 N ATOM 0 H ASN A 98 9.150 -21.019 8.061 1.00 0.00 H new ATOM 0 HA ASN A 98 7.465 -23.421 8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.793 -23.491 7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.440 -23.001 8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.650 -26.591 9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.572 -25.160 8.925 1.00 0.00 H new ATOM 1566 N ILE A 99 9.235 -22.379 10.944 1.00 0.00 N ATOM 1567 CA ILE A 99 9.206 -22.184 12.398 1.00 0.00 C ATOM 1568 C ILE A 99 9.418 -20.711 12.726 1.00 0.00 C ATOM 1569 O ILE A 99 9.140 -20.260 13.836 1.00 0.00 O ATOM 1570 CB ILE A 99 10.304 -23.022 13.060 1.00 0.00 C ATOM 1571 CG1 ILE A 99 11.662 -22.671 12.441 1.00 0.00 C ATOM 1572 CG2 ILE A 99 10.014 -24.510 12.850 1.00 0.00 C ATOM 1573 CD1 ILE A 99 12.775 -23.378 13.214 1.00 0.00 C ATOM 0 H ILE A 99 10.159 -22.280 10.525 1.00 0.00 H new ATOM 0 HA ILE A 99 8.235 -22.502 12.779 1.00 0.00 H new ATOM 0 HB ILE A 99 10.327 -22.807 14.128 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.685 -22.972 11.394 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.817 -21.592 12.466 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.797 -25.103 13.322 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.051 -24.759 13.296 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.987 -24.728 11.782 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.740 -23.128 12.773 1.00 0.00 H new ATOM 0 HD12 ILE A 99 12.757 -23.055 14.255 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.623 -24.456 13.166 1.00 0.00 H new ATOM 1585 N ILE A 100 9.917 -19.971 11.740 1.00 0.00 N ATOM 1586 CA ILE A 100 10.170 -18.544 11.903 1.00 0.00 C ATOM 1587 C ILE A 100 8.879 -17.758 11.701 1.00 0.00 C ATOM 1588 O ILE A 100 8.143 -17.999 10.751 1.00 0.00 O ATOM 1589 CB ILE A 100 11.229 -18.085 10.889 1.00 0.00 C ATOM 1590 CG1 ILE A 100 12.601 -18.636 11.297 1.00 0.00 C ATOM 1591 CG2 ILE A 100 11.284 -16.559 10.842 1.00 0.00 C ATOM 1592 CD1 ILE A 100 13.622 -18.372 10.188 1.00 0.00 C ATOM 0 H ILE A 100 10.154 -20.337 10.818 1.00 0.00 H new ATOM 0 HA ILE A 100 10.539 -18.361 12.912 1.00 0.00 H new ATOM 0 HB ILE A 100 10.963 -18.461 9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.929 -18.167 12.224 1.00 0.00 H new ATOM 0 HG13 ILE A 100 12.530 -19.706 11.490 1.00 0.00 H new ATOM 0 HG21 ILE A 100 12.038 -16.244 10.120 1.00 0.00 H new ATOM 0 HG22 ILE A 100 10.311 -16.169 10.544 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.543 -16.174 11.828 1.00 0.00 H new ATOM 0 HD11 ILE A 100 14.593 -18.767 10.486 1.00 0.00 H new ATOM 0 HD12 ILE A 100 13.297 -18.862 9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 100 13.704 -17.299 10.016 1.00 0.00 H new ATOM 1604 N LYS A 101 8.608 -16.816 12.593 1.00 0.00 N ATOM 1605 CA LYS A 101 7.399 -16.014 12.471 1.00 0.00 C ATOM 1606 C LYS A 101 7.405 -15.248 11.151 1.00 0.00 C ATOM 1607 O LYS A 101 7.011 -15.786 10.117 1.00 0.00 O ATOM 1608 CB LYS A 101 7.263 -15.048 13.650 1.00 0.00 C ATOM 1609 CG LYS A 101 5.889 -14.384 13.576 1.00 0.00 C ATOM 1610 CD LYS A 101 5.664 -13.511 14.808 1.00 0.00 C ATOM 1611 CE LYS A 101 4.264 -12.907 14.744 1.00 0.00 C ATOM 1612 NZ LYS A 101 4.108 -12.153 13.467 1.00 0.00 N ATOM 0 H LYS A 101 9.196 -16.591 13.395 1.00 0.00 H new ATOM 0 HA LYS A 101 6.540 -16.685 12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.375 -15.583 14.593 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.050 -14.295 13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.817 -13.778 12.673 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.111 -15.145 13.512 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.776 -14.105 15.715 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.413 -12.720 14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.513 -13.694 14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.103 -12.243 15.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.323 -11.477 13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.987 -11.637 13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.906 -12.818 12.694 1.00 0.00 H new ATOM 1626 N ASP A 102 7.854 -14.002 11.183 1.00 0.00 N ATOM 1627 CA ASP A 102 7.903 -13.197 9.973 1.00 0.00 C ATOM 1628 C ASP A 102 8.715 -13.911 8.895 1.00 0.00 C ATOM 1629 O ASP A 102 9.932 -13.880 8.981 1.00 0.00 O ATOM 1630 CB ASP A 102 8.541 -11.845 10.281 1.00 0.00 C ATOM 1631 CG ASP A 102 7.658 -11.055 11.242 1.00 0.00 C ATOM 1632 OD1 ASP A 102 6.448 -11.123 11.099 1.00 0.00 O ATOM 1633 OD2 ASP A 102 8.205 -10.391 12.107 1.00 0.00 O ATOM 0 H ASP A 102 8.186 -13.531 12.024 1.00 0.00 H new ATOM 0 HA ASP A 102 6.887 -13.047 9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.528 -11.991 10.719 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.682 -11.282 9.358 1.00 0.00 H new TER 1638 ASP A 102