USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 691 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 75 ASN : amide:sc= 0.911 K(o=1.5,f=-7!) USER MOD Set 1.2: A 90 SER OG : rot 77:sc= 0.614! USER MOD Set 2.1: A 30 SER OG : rot 37:sc= -1.13! USER MOD Set 2.2: A 78 GLN :FLIP amide:sc= -5.3! C(o=-15!,f=-6.4!) USER MOD Set 3.1: A 21 SER OG : rot 118:sc= -5.14! USER MOD Set 3.2: A 62 ASN :FLIP amide:sc= -1.72 F(o=-10!,f=-6.9) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.132 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=-0.25) USER MOD Single : A 10 THR OG1 : rot 96:sc= 0.0622 USER MOD Single : A 11 SER OG : rot 180:sc= -1.35! USER MOD Single : A 13 SER OG : rot -71:sc= 0.947 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 72:sc= -0.365! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0571 USER MOD Single : A 32 THR OG1 : rot 60:sc= 0.384 USER MOD Single : A 34 SER OG : rot -123:sc= -3.52! USER MOD Single : A 40 TYR OH : rot 180:sc= -0.203 USER MOD Single : A 43 SER OG : rot 111:sc= -2.04 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 67:sc= 0.666 USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 130:sc= -2.06 USER MOD Single : A 77 TYR OH : rot 180:sc= -1.69 USER MOD Single : A 80 SER OG : rot 177:sc= -5.25! USER MOD Single : A 85 GLN :FLIP amide:sc= -0.863 F(o=-2.2!,f=-0.86) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -1.54 F(o=-4!,f=-1.5) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -81:sc= 1.53 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.496 -23.551 -9.733 1.00 0.00 N ATOM 2 CA GLY A 1 -14.295 -24.752 -10.594 1.00 0.00 C ATOM 3 C GLY A 1 -12.922 -25.354 -10.320 1.00 0.00 C ATOM 4 O GLY A 1 -12.236 -24.962 -9.376 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.380 -23.654 -9.195 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.698 -23.460 -9.073 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.551 -22.701 -10.330 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.073 -25.489 -10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.379 -24.476 -11.645 1.00 0.00 H new ATOM 10 N PRO A 2 -12.518 -26.297 -11.127 1.00 0.00 N ATOM 11 CA PRO A 2 -11.198 -26.981 -10.982 1.00 0.00 C ATOM 12 C PRO A 2 -10.027 -26.080 -11.374 1.00 0.00 C ATOM 13 O PRO A 2 -9.024 -26.553 -11.912 1.00 0.00 O ATOM 14 CB PRO A 2 -11.305 -28.175 -11.933 1.00 0.00 C ATOM 15 CG PRO A 2 -12.305 -27.770 -12.965 1.00 0.00 C ATOM 16 CD PRO A 2 -13.280 -26.818 -12.273 1.00 0.00 C ATOM 0 HA PRO A 2 -10.999 -27.264 -9.948 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.341 -28.403 -12.388 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.628 -29.072 -11.404 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.817 -27.280 -13.808 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.828 -28.640 -13.361 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.596 -26.016 -12.940 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.182 -27.337 -11.949 1.00 0.00 H new ATOM 24 N LEU A 3 -10.156 -24.784 -11.106 1.00 0.00 N ATOM 25 CA LEU A 3 -9.096 -23.839 -11.442 1.00 0.00 C ATOM 26 C LEU A 3 -8.560 -24.113 -12.845 1.00 0.00 C ATOM 27 O LEU A 3 -7.563 -24.817 -13.012 1.00 0.00 O ATOM 28 CB LEU A 3 -7.955 -23.953 -10.428 1.00 0.00 C ATOM 29 CG LEU A 3 -6.867 -22.934 -10.762 1.00 0.00 C ATOM 30 CD1 LEU A 3 -7.362 -21.524 -10.428 1.00 0.00 C ATOM 31 CD2 LEU A 3 -5.615 -23.242 -9.937 1.00 0.00 C ATOM 0 H LEU A 3 -10.974 -24.367 -10.662 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.510 -22.831 -11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.332 -23.780 -9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.540 -24.961 -10.444 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.630 -22.991 -11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.584 -20.799 -10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.255 -21.304 -11.013 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.600 -21.464 -9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.836 -22.517 -10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.855 -23.184 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.260 -24.245 -10.174 1.00 0.00 H new ATOM 43 N GLY A 4 -9.233 -23.561 -13.851 1.00 0.00 N ATOM 44 CA GLY A 4 -8.816 -23.762 -15.234 1.00 0.00 C ATOM 45 C GLY A 4 -8.450 -22.442 -15.904 1.00 0.00 C ATOM 46 O GLY A 4 -7.689 -21.645 -15.355 1.00 0.00 O ATOM 0 H GLY A 4 -10.061 -22.977 -13.736 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.960 -24.436 -15.263 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.619 -24.244 -15.791 1.00 0.00 H new ATOM 50 N SER A 5 -8.992 -22.223 -17.097 1.00 0.00 N ATOM 51 CA SER A 5 -8.710 -21.003 -17.844 1.00 0.00 C ATOM 52 C SER A 5 -9.602 -19.856 -17.373 1.00 0.00 C ATOM 53 O SER A 5 -9.544 -18.754 -17.921 1.00 0.00 O ATOM 54 CB SER A 5 -8.944 -21.244 -19.334 1.00 0.00 C ATOM 55 OG SER A 5 -10.304 -20.974 -19.645 1.00 0.00 O ATOM 0 H SER A 5 -9.626 -22.871 -17.565 1.00 0.00 H new ATOM 0 HA SER A 5 -7.669 -20.730 -17.671 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.290 -20.603 -19.925 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.698 -22.274 -19.591 1.00 0.00 H new ATOM 0 HG SER A 5 -10.457 -21.126 -20.601 1.00 0.00 H new ATOM 61 N HIS A 6 -10.433 -20.114 -16.368 1.00 0.00 N ATOM 62 CA HIS A 6 -11.327 -19.080 -15.859 1.00 0.00 C ATOM 63 C HIS A 6 -10.532 -17.873 -15.369 1.00 0.00 C ATOM 64 O HIS A 6 -10.726 -16.756 -15.849 1.00 0.00 O ATOM 65 CB HIS A 6 -12.180 -19.632 -14.713 1.00 0.00 C ATOM 66 CG HIS A 6 -13.477 -20.157 -15.262 1.00 0.00 C ATOM 67 ND1 HIS A 6 -14.404 -19.332 -15.880 1.00 0.00 N ATOM 68 CD2 HIS A 6 -14.016 -21.418 -15.297 1.00 0.00 C ATOM 69 CE1 HIS A 6 -15.443 -20.100 -16.258 1.00 0.00 C ATOM 70 NE2 HIS A 6 -15.257 -21.380 -15.926 1.00 0.00 N ATOM 0 H HIS A 6 -10.506 -21.015 -15.896 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.979 -18.765 -16.674 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.643 -20.427 -14.196 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.373 -18.849 -13.980 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.548 -22.306 -14.897 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.319 -19.727 -16.767 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.889 -22.162 -16.097 1.00 0.00 H new ATOM 79 N LEU A 7 -9.632 -18.108 -14.422 1.00 0.00 N ATOM 80 CA LEU A 7 -8.808 -17.031 -13.886 1.00 0.00 C ATOM 81 C LEU A 7 -7.472 -16.978 -14.611 1.00 0.00 C ATOM 82 O LEU A 7 -6.626 -16.144 -14.301 1.00 0.00 O ATOM 83 CB LEU A 7 -8.559 -17.248 -12.393 1.00 0.00 C ATOM 84 CG LEU A 7 -9.893 -17.421 -11.668 1.00 0.00 C ATOM 85 CD1 LEU A 7 -9.641 -17.516 -10.162 1.00 0.00 C ATOM 86 CD2 LEU A 7 -10.793 -16.219 -11.957 1.00 0.00 C ATOM 0 H LEU A 7 -9.455 -19.025 -14.012 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.338 -16.090 -14.033 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.936 -18.129 -12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.016 -16.399 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.381 -18.331 -12.017 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.591 -17.639 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.999 -18.372 -9.954 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.154 -16.604 -9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.744 -16.344 -11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.307 -15.308 -11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.971 -16.147 -13.030 1.00 0.00 H new ATOM 98 N VAL A 8 -7.296 -17.887 -15.571 1.00 0.00 N ATOM 99 CA VAL A 8 -6.058 -17.968 -16.344 1.00 0.00 C ATOM 100 C VAL A 8 -4.841 -17.779 -15.440 1.00 0.00 C ATOM 101 O VAL A 8 -4.973 -17.531 -14.243 1.00 0.00 O ATOM 102 CB VAL A 8 -6.062 -16.919 -17.468 1.00 0.00 C ATOM 103 CG1 VAL A 8 -5.344 -15.648 -17.008 1.00 0.00 C ATOM 104 CG2 VAL A 8 -5.341 -17.479 -18.699 1.00 0.00 C ATOM 0 H VAL A 8 -7.998 -18.579 -15.832 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.997 -18.960 -16.792 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.096 -16.681 -17.719 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.354 -14.913 -17.813 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.853 -15.238 -16.136 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.313 -15.887 -16.747 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.346 -16.733 -19.494 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.312 -17.724 -18.437 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.852 -18.378 -19.042 1.00 0.00 H new ATOM 114 N ALA A 9 -3.652 -17.917 -16.018 1.00 0.00 N ATOM 115 CA ALA A 9 -2.423 -17.770 -15.246 1.00 0.00 C ATOM 116 C ALA A 9 -2.205 -16.313 -14.843 1.00 0.00 C ATOM 117 O ALA A 9 -2.572 -15.394 -15.574 1.00 0.00 O ATOM 118 CB ALA A 9 -1.227 -18.260 -16.066 1.00 0.00 C ATOM 0 H ALA A 9 -3.513 -18.128 -17.006 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.515 -18.372 -14.342 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.314 -18.146 -15.481 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.366 -19.311 -16.321 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.148 -17.672 -16.981 1.00 0.00 H new ATOM 124 N THR A 10 -1.599 -16.112 -13.677 1.00 0.00 N ATOM 125 CA THR A 10 -1.331 -14.764 -13.190 1.00 0.00 C ATOM 126 C THR A 10 -0.087 -14.195 -13.865 1.00 0.00 C ATOM 127 O THR A 10 0.356 -13.091 -13.550 1.00 0.00 O ATOM 128 CB THR A 10 -1.142 -14.780 -11.671 1.00 0.00 C ATOM 129 OG1 THR A 10 -0.139 -15.727 -11.329 1.00 0.00 O ATOM 130 CG2 THR A 10 -2.463 -15.157 -10.997 1.00 0.00 C ATOM 0 H THR A 10 -1.287 -16.859 -13.056 1.00 0.00 H new ATOM 0 HA THR A 10 -2.183 -14.130 -13.434 1.00 0.00 H new ATOM 0 HB THR A 10 -0.834 -13.792 -11.330 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.723 -15.270 -11.233 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.329 -15.169 -9.915 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.227 -14.426 -11.260 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.775 -16.145 -11.335 1.00 0.00 H new ATOM 138 N SER A 11 0.465 -14.960 -14.800 1.00 0.00 N ATOM 139 CA SER A 11 1.654 -14.533 -15.526 1.00 0.00 C ATOM 140 C SER A 11 2.789 -14.202 -14.559 1.00 0.00 C ATOM 141 O SER A 11 3.789 -14.918 -14.496 1.00 0.00 O ATOM 142 CB SER A 11 1.332 -13.306 -16.379 1.00 0.00 C ATOM 143 OG SER A 11 2.075 -12.193 -15.901 1.00 0.00 O ATOM 0 H SER A 11 0.109 -15.876 -15.072 1.00 0.00 H new ATOM 0 HA SER A 11 1.973 -15.351 -16.172 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.577 -13.500 -17.423 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.264 -13.090 -16.337 1.00 0.00 H new ATOM 0 HG SER A 11 1.872 -11.405 -16.447 1.00 0.00 H new ATOM 149 N GLU A 12 2.632 -13.115 -13.811 1.00 0.00 N ATOM 150 CA GLU A 12 3.657 -12.704 -12.857 1.00 0.00 C ATOM 151 C GLU A 12 3.175 -12.937 -11.429 1.00 0.00 C ATOM 152 O GLU A 12 2.581 -13.972 -11.126 1.00 0.00 O ATOM 153 CB GLU A 12 3.997 -11.225 -13.059 1.00 0.00 C ATOM 154 CG GLU A 12 5.394 -10.939 -12.506 1.00 0.00 C ATOM 155 CD GLU A 12 6.434 -11.747 -13.275 1.00 0.00 C ATOM 156 OE1 GLU A 12 6.141 -12.150 -14.387 1.00 0.00 O ATOM 157 OE2 GLU A 12 7.511 -11.950 -12.738 1.00 0.00 O ATOM 0 H GLU A 12 1.813 -12.507 -13.845 1.00 0.00 H new ATOM 0 HA GLU A 12 4.553 -13.302 -13.026 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.956 -10.974 -14.119 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.260 -10.600 -12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.615 -9.875 -12.587 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.434 -11.193 -11.447 1.00 0.00 H new ATOM 164 N SER A 13 3.434 -11.973 -10.551 1.00 0.00 N ATOM 165 CA SER A 13 3.019 -12.097 -9.158 1.00 0.00 C ATOM 166 C SER A 13 3.459 -10.879 -8.345 1.00 0.00 C ATOM 167 O SER A 13 4.336 -10.980 -7.488 1.00 0.00 O ATOM 168 CB SER A 13 3.618 -13.365 -8.550 1.00 0.00 C ATOM 169 OG SER A 13 3.800 -13.177 -7.154 1.00 0.00 O ATOM 0 H SER A 13 3.924 -11.107 -10.775 1.00 0.00 H new ATOM 0 HA SER A 13 1.931 -12.156 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.960 -14.215 -8.731 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.572 -13.594 -9.025 1.00 0.00 H new ATOM 0 HG SER A 13 4.529 -12.540 -7.002 1.00 0.00 H new ATOM 175 N VAL A 14 2.837 -9.735 -8.615 1.00 0.00 N ATOM 176 CA VAL A 14 3.165 -8.505 -7.898 1.00 0.00 C ATOM 177 C VAL A 14 4.663 -8.221 -7.961 1.00 0.00 C ATOM 178 O VAL A 14 5.483 -9.088 -7.661 1.00 0.00 O ATOM 179 CB VAL A 14 2.729 -8.625 -6.437 1.00 0.00 C ATOM 180 CG1 VAL A 14 2.506 -7.230 -5.851 1.00 0.00 C ATOM 181 CG2 VAL A 14 1.425 -9.421 -6.361 1.00 0.00 C ATOM 0 H VAL A 14 2.107 -9.633 -9.320 1.00 0.00 H new ATOM 0 HA VAL A 14 2.635 -7.680 -8.374 1.00 0.00 H new ATOM 0 HB VAL A 14 3.505 -9.137 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.195 -7.318 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.433 -6.660 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.730 -6.717 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.112 -9.508 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.651 -8.907 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.581 -10.416 -6.777 1.00 0.00 H new ATOM 191 N THR A 15 5.010 -6.999 -8.351 1.00 0.00 N ATOM 192 CA THR A 15 6.413 -6.608 -8.448 1.00 0.00 C ATOM 193 C THR A 15 6.961 -6.208 -7.080 1.00 0.00 C ATOM 194 O THR A 15 6.650 -6.843 -6.072 1.00 0.00 O ATOM 195 CB THR A 15 6.570 -5.442 -9.426 1.00 0.00 C ATOM 196 OG1 THR A 15 5.812 -5.706 -10.599 1.00 0.00 O ATOM 197 CG2 THR A 15 8.049 -5.286 -9.792 1.00 0.00 C ATOM 0 H THR A 15 4.346 -6.267 -8.603 1.00 0.00 H new ATOM 0 HA THR A 15 6.979 -7.465 -8.814 1.00 0.00 H new ATOM 0 HB THR A 15 6.211 -4.522 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.910 -4.960 -11.226 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.166 -4.456 -10.489 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.628 -5.087 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.407 -6.204 -10.258 1.00 0.00 H new ATOM 205 N GLU A 16 7.783 -5.158 -7.054 1.00 0.00 N ATOM 206 CA GLU A 16 8.374 -4.693 -5.805 1.00 0.00 C ATOM 207 C GLU A 16 8.465 -5.841 -4.813 1.00 0.00 C ATOM 208 O GLU A 16 8.079 -5.709 -3.655 1.00 0.00 O ATOM 209 CB GLU A 16 7.532 -3.562 -5.215 1.00 0.00 C ATOM 210 CG GLU A 16 7.629 -2.333 -6.118 1.00 0.00 C ATOM 211 CD GLU A 16 9.044 -1.766 -6.070 1.00 0.00 C ATOM 212 OE1 GLU A 16 9.741 -2.047 -5.110 1.00 0.00 O ATOM 213 OE2 GLU A 16 9.411 -1.060 -6.996 1.00 0.00 O ATOM 0 H GLU A 16 8.051 -4.619 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 16 9.377 -4.319 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.493 -3.878 -5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.882 -3.318 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.370 -2.602 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.913 -1.577 -5.796 1.00 0.00 H new ATOM 220 N ILE A 17 8.971 -6.972 -5.285 1.00 0.00 N ATOM 221 CA ILE A 17 9.098 -8.145 -4.437 1.00 0.00 C ATOM 222 C ILE A 17 10.104 -7.884 -3.323 1.00 0.00 C ATOM 223 O ILE A 17 10.287 -8.712 -2.430 1.00 0.00 O ATOM 224 CB ILE A 17 9.569 -9.341 -5.266 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.613 -9.556 -6.443 1.00 0.00 C ATOM 226 CG2 ILE A 17 9.578 -10.590 -4.385 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.288 -10.428 -7.506 1.00 0.00 C ATOM 0 H ILE A 17 9.297 -7.100 -6.243 1.00 0.00 H new ATOM 0 HA ILE A 17 8.123 -8.363 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 17 10.573 -9.151 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.696 -10.033 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.330 -8.596 -6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.913 -11.446 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.255 -10.438 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.572 -10.778 -4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.604 -10.578 -8.341 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.192 -9.934 -7.862 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.549 -11.393 -7.073 1.00 0.00 H new ATOM 239 N THR A 18 10.751 -6.726 -3.378 1.00 0.00 N ATOM 240 CA THR A 18 11.731 -6.373 -2.362 1.00 0.00 C ATOM 241 C THR A 18 11.046 -6.278 -1.006 1.00 0.00 C ATOM 242 O THR A 18 9.857 -5.971 -0.927 1.00 0.00 O ATOM 243 CB THR A 18 12.382 -5.033 -2.709 1.00 0.00 C ATOM 244 OG1 THR A 18 11.397 -4.009 -2.668 1.00 0.00 O ATOM 245 CG2 THR A 18 12.988 -5.105 -4.112 1.00 0.00 C ATOM 0 H THR A 18 10.617 -6.024 -4.106 1.00 0.00 H new ATOM 0 HA THR A 18 12.502 -7.142 -2.324 1.00 0.00 H new ATOM 0 HB THR A 18 13.169 -4.812 -1.988 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.811 -3.148 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.451 -4.149 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.741 -5.892 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.204 -5.325 -4.836 1.00 0.00 H new ATOM 253 N ALA A 19 11.787 -6.552 0.061 1.00 0.00 N ATOM 254 CA ALA A 19 11.205 -6.500 1.393 1.00 0.00 C ATOM 255 C ALA A 19 9.835 -7.159 1.379 1.00 0.00 C ATOM 256 O ALA A 19 8.986 -6.876 2.224 1.00 0.00 O ATOM 257 CB ALA A 19 11.080 -5.048 1.852 1.00 0.00 C ATOM 0 H ALA A 19 12.774 -6.808 0.031 1.00 0.00 H new ATOM 0 HA ALA A 19 11.853 -7.035 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.643 -5.018 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.068 -4.587 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.440 -4.501 1.160 1.00 0.00 H new ATOM 263 N SER A 20 9.630 -8.047 0.410 1.00 0.00 N ATOM 264 CA SER A 20 8.361 -8.751 0.292 1.00 0.00 C ATOM 265 C SER A 20 7.223 -7.761 0.075 1.00 0.00 C ATOM 266 O SER A 20 6.079 -8.023 0.443 1.00 0.00 O ATOM 267 CB SER A 20 8.107 -9.560 1.561 1.00 0.00 C ATOM 268 OG SER A 20 8.933 -9.067 2.609 1.00 0.00 O ATOM 0 H SER A 20 10.321 -8.293 -0.298 1.00 0.00 H new ATOM 0 HA SER A 20 8.407 -9.422 -0.565 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.057 -9.489 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.318 -10.614 1.382 1.00 0.00 H new ATOM 0 HG SER A 20 8.603 -8.192 2.902 1.00 0.00 H new ATOM 274 N SER A 21 7.557 -6.622 -0.519 1.00 0.00 N ATOM 275 CA SER A 21 6.576 -5.573 -0.780 1.00 0.00 C ATOM 276 C SER A 21 5.389 -6.093 -1.578 1.00 0.00 C ATOM 277 O SER A 21 5.314 -7.270 -1.929 1.00 0.00 O ATOM 278 CB SER A 21 7.227 -4.448 -1.583 1.00 0.00 C ATOM 279 OG SER A 21 6.560 -4.328 -2.832 1.00 0.00 O ATOM 0 H SER A 21 8.503 -6.400 -0.830 1.00 0.00 H new ATOM 0 HA SER A 21 6.223 -5.214 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.168 -3.509 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.285 -4.660 -1.739 1.00 0.00 H new ATOM 0 HG SER A 21 6.146 -3.442 -2.898 1.00 0.00 H new ATOM 285 N PHE A 22 4.477 -5.173 -1.881 1.00 0.00 N ATOM 286 CA PHE A 22 3.292 -5.486 -2.668 1.00 0.00 C ATOM 287 C PHE A 22 2.915 -4.290 -3.526 1.00 0.00 C ATOM 288 O PHE A 22 3.046 -3.145 -3.100 1.00 0.00 O ATOM 289 CB PHE A 22 2.063 -5.749 -1.788 1.00 0.00 C ATOM 290 CG PHE A 22 2.149 -7.007 -0.959 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.768 -8.175 -1.431 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.547 -6.995 0.299 1.00 0.00 C ATOM 293 CE1 PHE A 22 2.778 -9.324 -0.631 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.563 -8.139 1.098 1.00 0.00 C ATOM 295 CZ PHE A 22 2.177 -9.304 0.632 1.00 0.00 C ATOM 0 H PHE A 22 4.539 -4.197 -1.590 1.00 0.00 H new ATOM 0 HA PHE A 22 3.543 -6.371 -3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.919 -4.898 -1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.181 -5.808 -2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.234 -8.187 -2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.066 -6.096 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.250 -10.227 -0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.102 -8.124 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.188 -10.191 1.248 1.00 0.00 H new ATOM 305 N VAL A 23 2.384 -4.559 -4.704 1.00 0.00 N ATOM 306 CA VAL A 23 1.921 -3.489 -5.566 1.00 0.00 C ATOM 307 C VAL A 23 0.431 -3.680 -5.796 1.00 0.00 C ATOM 308 O VAL A 23 0.017 -4.553 -6.558 1.00 0.00 O ATOM 309 CB VAL A 23 2.665 -3.491 -6.899 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.967 -2.533 -7.864 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.108 -3.025 -6.680 1.00 0.00 C ATOM 0 H VAL A 23 2.264 -5.498 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 23 2.114 -2.528 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 23 2.667 -4.499 -7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.494 -2.530 -8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.938 -2.858 -8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.971 -1.527 -7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.639 -3.026 -7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.106 -2.016 -6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.607 -3.700 -5.985 1.00 0.00 H new ATOM 321 N VAL A 24 -0.370 -2.879 -5.109 1.00 0.00 N ATOM 322 CA VAL A 24 -1.815 -2.992 -5.222 1.00 0.00 C ATOM 323 C VAL A 24 -2.401 -1.810 -5.975 1.00 0.00 C ATOM 324 O VAL A 24 -2.047 -0.658 -5.719 1.00 0.00 O ATOM 325 CB VAL A 24 -2.434 -3.071 -3.825 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.959 -3.016 -3.943 1.00 0.00 C ATOM 327 CG2 VAL A 24 -2.019 -4.389 -3.160 1.00 0.00 C ATOM 0 H VAL A 24 -0.047 -2.150 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.045 -3.899 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.085 -2.233 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.403 -3.072 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.254 -2.081 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.308 -3.856 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.458 -4.448 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.370 -5.227 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.933 -4.430 -3.080 1.00 0.00 H new ATOM 337 N SER A 25 -3.304 -2.104 -6.906 1.00 0.00 N ATOM 338 CA SER A 25 -3.938 -1.057 -7.691 1.00 0.00 C ATOM 339 C SER A 25 -5.454 -1.194 -7.649 1.00 0.00 C ATOM 340 O SER A 25 -5.989 -2.295 -7.512 1.00 0.00 O ATOM 341 CB SER A 25 -3.455 -1.115 -9.140 1.00 0.00 C ATOM 342 OG SER A 25 -4.021 -2.251 -9.779 1.00 0.00 O ATOM 0 H SER A 25 -3.609 -3.051 -7.132 1.00 0.00 H new ATOM 0 HA SER A 25 -3.662 -0.095 -7.259 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.743 -0.206 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.367 -1.171 -9.171 1.00 0.00 H new ATOM 0 HG SER A 25 -3.714 -2.290 -10.709 1.00 0.00 H new ATOM 348 N TRP A 26 -6.135 -0.064 -7.769 1.00 0.00 N ATOM 349 CA TRP A 26 -7.587 -0.047 -7.748 1.00 0.00 C ATOM 350 C TRP A 26 -8.105 1.024 -8.686 1.00 0.00 C ATOM 351 O TRP A 26 -7.332 1.763 -9.295 1.00 0.00 O ATOM 352 CB TRP A 26 -8.085 0.257 -6.338 1.00 0.00 C ATOM 353 CG TRP A 26 -7.478 1.544 -5.879 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.067 2.760 -5.966 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.172 1.763 -5.279 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.203 3.713 -5.454 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.020 3.145 -5.015 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.115 0.902 -4.938 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.857 3.654 -4.435 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -3.944 1.410 -4.354 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.815 2.782 -4.103 1.00 0.00 C ATOM 0 H TRP A 26 -5.703 0.853 -7.882 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.949 -1.025 -8.065 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.173 0.329 -6.329 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.813 -0.552 -5.659 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -9.050 2.955 -6.369 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.412 4.710 -5.406 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.204 -0.158 -5.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.762 4.713 -4.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.138 0.739 -4.097 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -2.911 3.166 -3.653 1.00 0.00 H new ATOM 372 N VAL A 27 -9.417 1.119 -8.776 1.00 0.00 N ATOM 373 CA VAL A 27 -10.036 2.122 -9.617 1.00 0.00 C ATOM 374 C VAL A 27 -10.846 3.068 -8.745 1.00 0.00 C ATOM 375 O VAL A 27 -11.659 2.628 -7.934 1.00 0.00 O ATOM 376 CB VAL A 27 -10.944 1.455 -10.650 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.478 2.510 -11.618 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.144 0.408 -11.429 1.00 0.00 C ATOM 0 H VAL A 27 -10.072 0.516 -8.279 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.264 2.682 -10.145 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.779 0.973 -10.142 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.125 2.034 -12.354 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.046 3.257 -11.064 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.644 2.993 -12.127 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.790 -0.069 -12.166 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.309 0.891 -11.936 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.762 -0.345 -10.740 1.00 0.00 H new ATOM 388 N SER A 28 -10.617 4.364 -8.901 1.00 0.00 N ATOM 389 CA SER A 28 -11.341 5.336 -8.097 1.00 0.00 C ATOM 390 C SER A 28 -12.831 5.007 -8.123 1.00 0.00 C ATOM 391 O SER A 28 -13.331 4.456 -9.104 1.00 0.00 O ATOM 392 CB SER A 28 -11.102 6.745 -8.633 1.00 0.00 C ATOM 393 OG SER A 28 -9.760 6.846 -9.094 1.00 0.00 O ATOM 0 H SER A 28 -9.950 4.760 -9.563 1.00 0.00 H new ATOM 0 HA SER A 28 -10.982 5.292 -7.069 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.796 6.961 -9.445 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.287 7.481 -7.851 1.00 0.00 H new ATOM 0 HG SER A 28 -9.600 7.748 -9.441 1.00 0.00 H new ATOM 399 N ALA A 29 -13.536 5.319 -7.040 1.00 0.00 N ATOM 400 CA ALA A 29 -14.963 5.015 -6.971 1.00 0.00 C ATOM 401 C ALA A 29 -15.751 6.156 -6.341 1.00 0.00 C ATOM 402 O ALA A 29 -16.482 5.956 -5.371 1.00 0.00 O ATOM 403 CB ALA A 29 -15.178 3.739 -6.158 1.00 0.00 C ATOM 0 H ALA A 29 -13.152 5.774 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.325 4.876 -7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.243 3.515 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.655 2.911 -6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.789 3.880 -5.149 1.00 0.00 H new ATOM 409 N SER A 30 -15.609 7.349 -6.901 1.00 0.00 N ATOM 410 CA SER A 30 -16.328 8.506 -6.387 1.00 0.00 C ATOM 411 C SER A 30 -15.961 9.756 -7.171 1.00 0.00 C ATOM 412 O SER A 30 -16.749 10.698 -7.254 1.00 0.00 O ATOM 413 CB SER A 30 -15.999 8.717 -4.908 1.00 0.00 C ATOM 414 OG SER A 30 -17.066 8.213 -4.115 1.00 0.00 O ATOM 0 H SER A 30 -15.009 7.540 -7.703 1.00 0.00 H new ATOM 0 HA SER A 30 -17.396 8.320 -6.497 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.069 8.208 -4.654 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.848 9.777 -4.704 1.00 0.00 H new ATOM 0 HG SER A 30 -17.430 7.404 -4.532 1.00 0.00 H new ATOM 420 N ASP A 31 -14.757 9.770 -7.731 1.00 0.00 N ATOM 421 CA ASP A 31 -14.298 10.926 -8.489 1.00 0.00 C ATOM 422 C ASP A 31 -14.258 12.160 -7.592 1.00 0.00 C ATOM 423 O ASP A 31 -13.474 13.081 -7.819 1.00 0.00 O ATOM 424 CB ASP A 31 -15.223 11.174 -9.683 1.00 0.00 C ATOM 425 CG ASP A 31 -15.029 10.081 -10.731 1.00 0.00 C ATOM 426 OD1 ASP A 31 -14.042 9.368 -10.640 1.00 0.00 O ATOM 427 OD2 ASP A 31 -15.867 9.976 -11.611 1.00 0.00 O ATOM 0 H ASP A 31 -14.088 9.002 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.292 10.727 -8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.261 11.191 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.012 12.150 -10.120 1.00 0.00 H new ATOM 432 N THR A 32 -15.092 12.158 -6.556 1.00 0.00 N ATOM 433 CA THR A 32 -15.127 13.264 -5.615 1.00 0.00 C ATOM 434 C THR A 32 -14.175 12.957 -4.470 1.00 0.00 C ATOM 435 O THR A 32 -14.006 13.754 -3.547 1.00 0.00 O ATOM 436 CB THR A 32 -16.544 13.458 -5.073 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.484 13.211 -6.108 1.00 0.00 O ATOM 438 CG2 THR A 32 -16.709 14.893 -4.565 1.00 0.00 C ATOM 0 H THR A 32 -15.748 11.405 -6.351 1.00 0.00 H new ATOM 0 HA THR A 32 -14.824 14.182 -6.119 1.00 0.00 H new ATOM 0 HB THR A 32 -16.715 12.762 -4.251 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.379 12.292 -6.433 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.719 15.029 -4.179 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.989 15.082 -3.769 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.537 15.591 -5.384 1.00 0.00 H new ATOM 446 N VAL A 33 -13.548 11.784 -4.552 1.00 0.00 N ATOM 447 CA VAL A 33 -12.603 11.359 -3.540 1.00 0.00 C ATOM 448 C VAL A 33 -11.555 12.440 -3.333 1.00 0.00 C ATOM 449 O VAL A 33 -11.066 13.031 -4.295 1.00 0.00 O ATOM 450 CB VAL A 33 -11.936 10.041 -3.966 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.566 10.094 -5.454 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.669 9.816 -3.142 1.00 0.00 C ATOM 0 H VAL A 33 -13.683 11.117 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.130 11.194 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.636 9.222 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.094 9.156 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.467 10.247 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.873 10.917 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.198 8.881 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.976 10.641 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.927 9.765 -2.084 1.00 0.00 H new ATOM 462 N SER A 34 -11.223 12.703 -2.078 1.00 0.00 N ATOM 463 CA SER A 34 -10.232 13.724 -1.767 1.00 0.00 C ATOM 464 C SER A 34 -8.865 13.079 -1.613 1.00 0.00 C ATOM 465 O SER A 34 -7.836 13.753 -1.620 1.00 0.00 O ATOM 466 CB SER A 34 -10.613 14.446 -0.476 1.00 0.00 C ATOM 467 OG SER A 34 -11.900 15.028 -0.627 1.00 0.00 O ATOM 0 H SER A 34 -11.620 12.230 -1.266 1.00 0.00 H new ATOM 0 HA SER A 34 -10.199 14.449 -2.581 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.613 13.746 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.877 15.217 -0.246 1.00 0.00 H new ATOM 0 HG SER A 34 -11.846 15.991 -0.456 1.00 0.00 H new ATOM 473 N GLY A 35 -8.873 11.760 -1.478 1.00 0.00 N ATOM 474 CA GLY A 35 -7.644 11.002 -1.325 1.00 0.00 C ATOM 475 C GLY A 35 -7.961 9.537 -1.066 1.00 0.00 C ATOM 476 O GLY A 35 -9.123 9.158 -0.949 1.00 0.00 O ATOM 0 H GLY A 35 -9.721 11.193 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.035 11.097 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.059 11.407 -0.499 1.00 0.00 H new ATOM 480 N PHE A 36 -6.924 8.721 -0.962 1.00 0.00 N ATOM 481 CA PHE A 36 -7.110 7.300 -0.694 1.00 0.00 C ATOM 482 C PHE A 36 -6.326 6.881 0.535 1.00 0.00 C ATOM 483 O PHE A 36 -5.295 7.469 0.858 1.00 0.00 O ATOM 484 CB PHE A 36 -6.641 6.458 -1.879 1.00 0.00 C ATOM 485 CG PHE A 36 -7.590 6.615 -3.036 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.694 5.764 -3.149 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.362 7.602 -3.999 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.573 5.899 -4.229 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.239 7.739 -5.078 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.345 6.887 -5.195 1.00 0.00 C ATOM 0 H PHE A 36 -5.951 9.013 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.174 7.135 -0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.638 6.764 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.581 5.409 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.868 5.003 -2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.509 8.258 -3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.426 5.242 -4.318 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.064 8.502 -5.822 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.022 6.992 -6.030 1.00 0.00 H new ATOM 500 N ARG A 37 -6.805 5.844 1.202 1.00 0.00 N ATOM 501 CA ARG A 37 -6.116 5.342 2.376 1.00 0.00 C ATOM 502 C ARG A 37 -5.903 3.845 2.237 1.00 0.00 C ATOM 503 O ARG A 37 -6.847 3.092 1.994 1.00 0.00 O ATOM 504 CB ARG A 37 -6.916 5.634 3.644 1.00 0.00 C ATOM 505 CG ARG A 37 -5.986 5.506 4.852 1.00 0.00 C ATOM 506 CD ARG A 37 -6.730 5.919 6.120 1.00 0.00 C ATOM 507 NE ARG A 37 -7.575 4.825 6.587 1.00 0.00 N ATOM 508 CZ ARG A 37 -7.397 4.265 7.783 1.00 0.00 C ATOM 509 NH1 ARG A 37 -6.437 4.673 8.569 1.00 0.00 N ATOM 510 NH2 ARG A 37 -8.179 3.295 8.168 1.00 0.00 N ATOM 0 H ARG A 37 -7.657 5.340 0.954 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.153 5.846 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.342 6.636 3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.750 4.937 3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.633 4.479 4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.106 6.134 4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.016 6.194 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.340 6.800 5.922 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.321 4.480 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.817 5.425 8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.307 4.239 9.483 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.925 2.967 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.045 2.864 9.083 1.00 0.00 H new ATOM 524 N VAL A 38 -4.660 3.419 2.379 1.00 0.00 N ATOM 525 CA VAL A 38 -4.340 2.005 2.252 1.00 0.00 C ATOM 526 C VAL A 38 -4.062 1.393 3.612 1.00 0.00 C ATOM 527 O VAL A 38 -3.302 1.945 4.402 1.00 0.00 O ATOM 528 CB VAL A 38 -3.115 1.828 1.358 1.00 0.00 C ATOM 529 CG1 VAL A 38 -2.854 0.337 1.141 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.368 2.504 0.008 1.00 0.00 C ATOM 0 H VAL A 38 -3.863 4.023 2.580 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.197 1.499 1.807 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.247 2.283 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.980 0.210 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.675 -0.145 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.721 -0.118 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.494 2.378 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.236 2.049 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.555 3.567 0.163 1.00 0.00 H new ATOM 540 N GLU A 39 -4.673 0.245 3.878 1.00 0.00 N ATOM 541 CA GLU A 39 -4.465 -0.423 5.150 1.00 0.00 C ATOM 542 C GLU A 39 -4.062 -1.876 4.936 1.00 0.00 C ATOM 543 O GLU A 39 -4.683 -2.597 4.156 1.00 0.00 O ATOM 544 CB GLU A 39 -5.741 -0.382 5.989 1.00 0.00 C ATOM 545 CG GLU A 39 -5.437 -0.919 7.388 1.00 0.00 C ATOM 546 CD GLU A 39 -6.734 -1.129 8.162 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.785 -0.873 7.595 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.659 -1.537 9.309 1.00 0.00 O ATOM 0 H GLU A 39 -5.307 -0.235 3.239 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.665 0.100 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.117 0.639 6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.520 -0.981 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.892 -1.860 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.794 -0.220 7.923 1.00 0.00 H new ATOM 555 N TYR A 40 -3.029 -2.303 5.649 1.00 0.00 N ATOM 556 CA TYR A 40 -2.563 -3.676 5.545 1.00 0.00 C ATOM 557 C TYR A 40 -2.169 -4.204 6.919 1.00 0.00 C ATOM 558 O TYR A 40 -1.467 -3.534 7.675 1.00 0.00 O ATOM 559 CB TYR A 40 -1.372 -3.761 4.584 1.00 0.00 C ATOM 560 CG TYR A 40 -0.434 -2.607 4.837 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.804 -1.313 4.457 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.804 -2.830 5.448 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.063 -0.240 4.688 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.673 -1.756 5.680 1.00 0.00 C ATOM 565 CZ TYR A 40 1.302 -0.461 5.300 1.00 0.00 C ATOM 566 OH TYR A 40 2.157 0.596 5.528 1.00 0.00 O ATOM 0 H TYR A 40 -2.502 -1.722 6.301 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.373 -4.291 5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.847 -4.706 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.722 -3.739 3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.760 -1.142 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.090 -3.829 5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.224 0.759 4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.629 -1.927 6.152 1.00 0.00 H new ATOM 0 HH TYR A 40 2.973 0.269 5.961 1.00 0.00 H new ATOM 576 N GLU A 41 -2.620 -5.414 7.231 1.00 0.00 N ATOM 577 CA GLU A 41 -2.308 -6.040 8.510 1.00 0.00 C ATOM 578 C GLU A 41 -2.115 -7.534 8.303 1.00 0.00 C ATOM 579 O GLU A 41 -2.538 -8.079 7.287 1.00 0.00 O ATOM 580 CB GLU A 41 -3.442 -5.802 9.518 1.00 0.00 C ATOM 581 CG GLU A 41 -4.605 -6.758 9.233 1.00 0.00 C ATOM 582 CD GLU A 41 -5.748 -6.494 10.207 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.507 -5.843 11.211 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.847 -6.954 9.940 1.00 0.00 O ATOM 0 H GLU A 41 -3.203 -5.981 6.615 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.393 -5.599 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.075 -5.954 10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.785 -4.769 9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.952 -6.626 8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.269 -7.791 9.325 1.00 0.00 H new ATOM 591 N LEU A 42 -1.481 -8.195 9.257 1.00 0.00 N ATOM 592 CA LEU A 42 -1.256 -9.631 9.133 1.00 0.00 C ATOM 593 C LEU A 42 -2.551 -10.406 9.338 1.00 0.00 C ATOM 594 O LEU A 42 -3.312 -10.131 10.267 1.00 0.00 O ATOM 595 CB LEU A 42 -0.225 -10.086 10.162 1.00 0.00 C ATOM 596 CG LEU A 42 1.143 -9.522 9.787 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.074 -9.584 10.995 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.734 -10.357 8.652 1.00 0.00 C ATOM 0 H LEU A 42 -1.118 -7.773 10.112 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.886 -9.831 8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.512 -9.745 11.157 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.185 -11.175 10.197 1.00 0.00 H new ATOM 0 HG LEU A 42 1.034 -8.485 9.468 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.050 -9.181 10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.652 -8.996 11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.186 -10.620 11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.712 -9.960 8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.841 -11.391 8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.071 -10.317 7.787 1.00 0.00 H new ATOM 610 N SER A 43 -2.792 -11.381 8.468 1.00 0.00 N ATOM 611 CA SER A 43 -3.996 -12.196 8.569 1.00 0.00 C ATOM 612 C SER A 43 -3.879 -13.166 9.740 1.00 0.00 C ATOM 613 O SER A 43 -4.879 -13.698 10.224 1.00 0.00 O ATOM 614 CB SER A 43 -4.201 -12.989 7.280 1.00 0.00 C ATOM 615 OG SER A 43 -3.336 -14.117 7.287 1.00 0.00 O ATOM 0 H SER A 43 -2.176 -11.624 7.692 1.00 0.00 H new ATOM 0 HA SER A 43 -4.848 -11.535 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.239 -13.311 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.993 -12.360 6.414 1.00 0.00 H new ATOM 0 HG SER A 43 -3.867 -14.936 7.380 1.00 0.00 H new ATOM 621 N GLU A 44 -2.646 -13.400 10.184 1.00 0.00 N ATOM 622 CA GLU A 44 -2.401 -14.315 11.292 1.00 0.00 C ATOM 623 C GLU A 44 -2.228 -13.554 12.597 1.00 0.00 C ATOM 624 O GLU A 44 -3.032 -13.689 13.520 1.00 0.00 O ATOM 625 CB GLU A 44 -1.133 -15.125 11.025 1.00 0.00 C ATOM 626 CG GLU A 44 -1.323 -15.963 9.761 1.00 0.00 C ATOM 627 CD GLU A 44 -2.561 -16.842 9.902 1.00 0.00 C ATOM 628 OE1 GLU A 44 -2.677 -17.510 10.917 1.00 0.00 O ATOM 629 OE2 GLU A 44 -3.376 -16.834 8.995 1.00 0.00 O ATOM 0 H GLU A 44 -1.807 -12.971 9.795 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.261 -14.979 11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.280 -14.457 10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.916 -15.772 11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.426 -15.311 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.443 -16.584 9.590 1.00 0.00 H new ATOM 636 N GLU A 45 -1.166 -12.762 12.668 1.00 0.00 N ATOM 637 CA GLU A 45 -0.887 -11.994 13.866 1.00 0.00 C ATOM 638 C GLU A 45 -1.992 -10.971 14.112 1.00 0.00 C ATOM 639 O GLU A 45 -2.292 -10.631 15.256 1.00 0.00 O ATOM 640 CB GLU A 45 0.461 -11.288 13.721 1.00 0.00 C ATOM 641 CG GLU A 45 1.548 -12.329 13.445 1.00 0.00 C ATOM 642 CD GLU A 45 2.917 -11.658 13.399 1.00 0.00 C ATOM 643 OE1 GLU A 45 2.959 -10.438 13.404 1.00 0.00 O ATOM 644 OE2 GLU A 45 3.904 -12.375 13.359 1.00 0.00 O ATOM 0 H GLU A 45 -0.490 -12.637 11.914 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.848 -12.671 14.719 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.420 -10.564 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.694 -10.734 14.630 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.535 -13.094 14.221 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.349 -12.832 12.499 1.00 0.00 H new ATOM 651 N GLY A 46 -2.596 -10.485 13.031 1.00 0.00 N ATOM 652 CA GLY A 46 -3.668 -9.503 13.152 1.00 0.00 C ATOM 653 C GLY A 46 -3.197 -8.299 13.954 1.00 0.00 C ATOM 654 O GLY A 46 -4.003 -7.569 14.531 1.00 0.00 O ATOM 0 H GLY A 46 -2.365 -10.751 12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.991 -9.184 12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.532 -9.956 13.638 1.00 0.00 H new ATOM 658 N ASP A 47 -1.886 -8.103 13.990 1.00 0.00 N ATOM 659 CA ASP A 47 -1.313 -6.988 14.728 1.00 0.00 C ATOM 660 C ASP A 47 -2.022 -5.693 14.362 1.00 0.00 C ATOM 661 O ASP A 47 -3.058 -5.705 13.699 1.00 0.00 O ATOM 662 CB ASP A 47 0.179 -6.862 14.415 1.00 0.00 C ATOM 663 CG ASP A 47 0.869 -6.039 15.495 1.00 0.00 C ATOM 664 OD1 ASP A 47 0.243 -5.788 16.510 1.00 0.00 O ATOM 665 OD2 ASP A 47 2.015 -5.674 15.292 1.00 0.00 O ATOM 0 H ASP A 47 -1.204 -8.698 13.520 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.442 -7.175 15.794 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.632 -7.852 14.355 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.317 -6.390 13.442 1.00 0.00 H new ATOM 670 N GLU A 48 -1.452 -4.579 14.795 1.00 0.00 N ATOM 671 CA GLU A 48 -2.037 -3.277 14.506 1.00 0.00 C ATOM 672 C GLU A 48 -1.921 -2.966 13.019 1.00 0.00 C ATOM 673 O GLU A 48 -0.886 -3.223 12.403 1.00 0.00 O ATOM 674 CB GLU A 48 -1.323 -2.188 15.304 1.00 0.00 C ATOM 675 CG GLU A 48 0.157 -2.548 15.439 1.00 0.00 C ATOM 676 CD GLU A 48 0.967 -1.309 15.800 1.00 0.00 C ATOM 677 OE1 GLU A 48 0.433 -0.219 15.676 1.00 0.00 O ATOM 678 OE2 GLU A 48 2.111 -1.468 16.197 1.00 0.00 O ATOM 0 H GLU A 48 -0.592 -4.549 15.343 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.089 -3.303 14.790 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.431 -1.225 14.804 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.776 -2.088 16.290 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.285 -3.312 16.206 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.523 -2.971 14.504 1.00 0.00 H new ATOM 685 N PRO A 49 -2.953 -2.422 12.435 1.00 0.00 N ATOM 686 CA PRO A 49 -2.963 -2.069 10.989 1.00 0.00 C ATOM 687 C PRO A 49 -2.107 -0.838 10.696 1.00 0.00 C ATOM 688 O PRO A 49 -1.958 0.042 11.545 1.00 0.00 O ATOM 689 CB PRO A 49 -4.440 -1.788 10.701 1.00 0.00 C ATOM 690 CG PRO A 49 -5.006 -1.335 12.005 1.00 0.00 C ATOM 691 CD PRO A 49 -4.227 -2.077 13.089 1.00 0.00 C ATOM 0 HA PRO A 49 -2.545 -2.860 10.367 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.554 -1.022 9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.949 -2.681 10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.902 -0.256 12.121 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.070 -1.561 12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.069 -1.451 13.967 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.758 -2.968 13.424 1.00 0.00 H new ATOM 699 N GLN A 50 -1.564 -0.776 9.487 1.00 0.00 N ATOM 700 CA GLN A 50 -0.745 0.361 9.079 1.00 0.00 C ATOM 701 C GLN A 50 -1.486 1.128 7.998 1.00 0.00 C ATOM 702 O GLN A 50 -2.145 0.523 7.156 1.00 0.00 O ATOM 703 CB GLN A 50 0.606 -0.127 8.550 1.00 0.00 C ATOM 704 CG GLN A 50 1.402 -0.746 9.701 1.00 0.00 C ATOM 705 CD GLN A 50 2.217 -1.932 9.200 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.310 -1.757 8.661 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.744 -3.138 9.349 1.00 0.00 N ATOM 0 H GLN A 50 -1.674 -1.496 8.773 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.562 1.012 9.934 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.457 -0.862 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.161 0.703 8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.065 0.001 10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.723 -1.070 10.490 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.838 -3.279 9.796 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.280 -3.940 9.019 1.00 0.00 H new ATOM 716 N TYR A 51 -1.416 2.454 8.030 1.00 0.00 N ATOM 717 CA TYR A 51 -2.139 3.238 7.041 1.00 0.00 C ATOM 718 C TYR A 51 -1.235 4.175 6.253 1.00 0.00 C ATOM 719 O TYR A 51 -0.364 4.845 6.809 1.00 0.00 O ATOM 720 CB TYR A 51 -3.220 4.076 7.724 1.00 0.00 C ATOM 721 CG TYR A 51 -4.141 3.186 8.516 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.229 2.570 7.889 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.915 2.987 9.884 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.091 1.752 8.627 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.775 2.168 10.623 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.863 1.551 9.995 1.00 0.00 C ATOM 727 OH TYR A 51 -6.713 0.744 10.725 1.00 0.00 O ATOM 0 H TYR A 51 -0.882 2.995 8.710 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.578 2.524 6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.759 4.813 8.382 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.789 4.629 6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.404 2.726 6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.077 3.466 10.368 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.931 1.276 8.143 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.600 2.012 11.677 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.631 -0.182 10.415 1.00 0.00 H new ATOM 737 N LEU A 52 -1.496 4.247 4.953 1.00 0.00 N ATOM 738 CA LEU A 52 -0.763 5.136 4.069 1.00 0.00 C ATOM 739 C LEU A 52 -1.770 5.992 3.315 1.00 0.00 C ATOM 740 O LEU A 52 -2.760 5.482 2.793 1.00 0.00 O ATOM 741 CB LEU A 52 0.100 4.333 3.097 1.00 0.00 C ATOM 742 CG LEU A 52 1.042 3.439 3.901 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.847 2.552 2.951 1.00 0.00 C ATOM 744 CD2 LEU A 52 2.003 4.307 4.717 1.00 0.00 C ATOM 0 H LEU A 52 -2.216 3.694 4.488 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.096 5.774 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.529 3.728 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.672 5.004 2.456 1.00 0.00 H new ATOM 0 HG LEU A 52 0.454 2.814 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.518 1.916 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.167 1.929 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.431 3.178 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.674 3.667 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.587 4.935 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.433 4.938 5.399 1.00 0.00 H new ATOM 756 N ASP A 53 -1.531 7.292 3.278 1.00 0.00 N ATOM 757 CA ASP A 53 -2.457 8.192 2.604 1.00 0.00 C ATOM 758 C ASP A 53 -1.959 8.587 1.222 1.00 0.00 C ATOM 759 O ASP A 53 -0.791 8.931 1.039 1.00 0.00 O ATOM 760 CB ASP A 53 -2.684 9.442 3.446 1.00 0.00 C ATOM 761 CG ASP A 53 -3.338 9.065 4.773 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.863 7.967 4.861 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.304 9.879 5.680 1.00 0.00 O ATOM 0 H ASP A 53 -0.719 7.744 3.698 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.399 7.658 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.734 9.945 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.318 10.145 2.905 1.00 0.00 H new ATOM 768 N LEU A 54 -2.867 8.532 0.253 1.00 0.00 N ATOM 769 CA LEU A 54 -2.540 8.881 -1.122 1.00 0.00 C ATOM 770 C LEU A 54 -3.554 9.896 -1.647 1.00 0.00 C ATOM 771 O LEU A 54 -4.690 9.948 -1.172 1.00 0.00 O ATOM 772 CB LEU A 54 -2.584 7.629 -2.007 1.00 0.00 C ATOM 773 CG LEU A 54 -2.023 6.423 -1.252 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.517 5.140 -1.919 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.494 6.458 -1.290 1.00 0.00 C ATOM 0 H LEU A 54 -3.836 8.248 0.396 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.538 9.309 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.611 7.429 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.007 7.798 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.359 6.454 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.120 4.276 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.606 5.113 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.177 5.114 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.097 5.598 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.155 6.426 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.139 7.375 -0.820 1.00 0.00 H new ATOM 787 N PRO A 55 -3.178 10.688 -2.613 1.00 0.00 N ATOM 788 CA PRO A 55 -4.089 11.706 -3.206 1.00 0.00 C ATOM 789 C PRO A 55 -5.220 11.063 -4.007 1.00 0.00 C ATOM 790 O PRO A 55 -5.124 9.907 -4.419 1.00 0.00 O ATOM 791 CB PRO A 55 -3.189 12.555 -4.108 1.00 0.00 C ATOM 792 CG PRO A 55 -1.941 11.763 -4.334 1.00 0.00 C ATOM 793 CD PRO A 55 -1.849 10.702 -3.237 1.00 0.00 C ATOM 0 HA PRO A 55 -4.583 12.298 -2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.685 12.775 -5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.961 13.512 -3.638 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.961 11.293 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.067 12.414 -4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.597 9.726 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.074 10.950 -2.511 1.00 0.00 H new ATOM 801 N SER A 56 -6.295 11.819 -4.211 1.00 0.00 N ATOM 802 CA SER A 56 -7.444 11.313 -4.955 1.00 0.00 C ATOM 803 C SER A 56 -7.037 10.917 -6.370 1.00 0.00 C ATOM 804 O SER A 56 -7.798 10.269 -7.087 1.00 0.00 O ATOM 805 CB SER A 56 -8.554 12.364 -5.006 1.00 0.00 C ATOM 806 OG SER A 56 -8.017 13.598 -5.463 1.00 0.00 O ATOM 0 H SER A 56 -6.395 12.777 -3.875 1.00 0.00 H new ATOM 0 HA SER A 56 -7.819 10.429 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.352 12.034 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.995 12.491 -4.017 1.00 0.00 H new ATOM 0 HG SER A 56 -8.748 14.224 -5.650 1.00 0.00 H new ATOM 812 N THR A 57 -5.834 11.311 -6.766 1.00 0.00 N ATOM 813 CA THR A 57 -5.342 10.986 -8.099 1.00 0.00 C ATOM 814 C THR A 57 -4.571 9.669 -8.085 1.00 0.00 C ATOM 815 O THR A 57 -4.174 9.164 -9.134 1.00 0.00 O ATOM 816 CB THR A 57 -4.424 12.101 -8.601 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.262 12.147 -7.786 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.155 13.441 -8.529 1.00 0.00 C ATOM 0 H THR A 57 -5.187 11.850 -6.191 1.00 0.00 H new ATOM 0 HA THR A 57 -6.200 10.886 -8.764 1.00 0.00 H new ATOM 0 HB THR A 57 -4.140 11.905 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.668 12.859 -8.103 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.498 14.234 -8.887 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.049 13.402 -9.151 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.440 13.645 -7.497 1.00 0.00 H new ATOM 826 N ALA A 58 -4.360 9.119 -6.894 1.00 0.00 N ATOM 827 CA ALA A 58 -3.633 7.862 -6.767 1.00 0.00 C ATOM 828 C ALA A 58 -4.560 6.676 -7.015 1.00 0.00 C ATOM 829 O ALA A 58 -5.660 6.613 -6.468 1.00 0.00 O ATOM 830 CB ALA A 58 -3.011 7.754 -5.373 1.00 0.00 C ATOM 0 H ALA A 58 -4.678 9.519 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.841 7.846 -7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.470 6.812 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.321 8.584 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.798 7.790 -4.620 1.00 0.00 H new ATOM 836 N THR A 59 -4.103 5.737 -7.834 1.00 0.00 N ATOM 837 CA THR A 59 -4.895 4.554 -8.136 1.00 0.00 C ATOM 838 C THR A 59 -4.053 3.295 -7.958 1.00 0.00 C ATOM 839 O THR A 59 -4.497 2.190 -8.272 1.00 0.00 O ATOM 840 CB THR A 59 -5.437 4.623 -9.567 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.431 5.128 -10.432 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.661 5.541 -9.607 1.00 0.00 C ATOM 0 H THR A 59 -3.195 5.772 -8.297 1.00 0.00 H new ATOM 0 HA THR A 59 -5.737 4.517 -7.444 1.00 0.00 H new ATOM 0 HB THR A 59 -5.725 3.624 -9.895 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.778 5.170 -11.348 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.046 5.590 -10.626 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.433 5.147 -8.946 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.377 6.541 -9.278 1.00 0.00 H new ATOM 850 N SER A 60 -2.839 3.466 -7.440 1.00 0.00 N ATOM 851 CA SER A 60 -1.951 2.332 -7.209 1.00 0.00 C ATOM 852 C SER A 60 -0.805 2.733 -6.288 1.00 0.00 C ATOM 853 O SER A 60 -0.284 3.844 -6.377 1.00 0.00 O ATOM 854 CB SER A 60 -1.398 1.813 -8.539 1.00 0.00 C ATOM 855 OG SER A 60 -0.563 2.805 -9.121 1.00 0.00 O ATOM 0 H SER A 60 -2.451 4.371 -7.175 1.00 0.00 H new ATOM 0 HA SER A 60 -2.523 1.537 -6.730 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.833 0.895 -8.377 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.217 1.568 -9.216 1.00 0.00 H new ATOM 0 HG SER A 60 -0.206 2.474 -9.972 1.00 0.00 H new ATOM 861 N VAL A 61 -0.423 1.825 -5.391 1.00 0.00 N ATOM 862 CA VAL A 61 0.655 2.112 -4.451 1.00 0.00 C ATOM 863 C VAL A 61 1.441 0.855 -4.095 1.00 0.00 C ATOM 864 O VAL A 61 0.894 -0.247 -4.050 1.00 0.00 O ATOM 865 CB VAL A 61 0.082 2.713 -3.173 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.689 1.635 -2.408 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.224 3.237 -2.300 1.00 0.00 C ATOM 0 H VAL A 61 -0.838 0.898 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 61 1.331 2.819 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.589 3.534 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.100 2.062 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.501 1.258 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.016 0.816 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.815 3.667 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.894 2.416 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.777 4.002 -2.845 1.00 0.00 H new ATOM 877 N ASN A 62 2.726 1.042 -3.817 1.00 0.00 N ATOM 878 CA ASN A 62 3.595 -0.064 -3.438 1.00 0.00 C ATOM 879 C ASN A 62 3.825 -0.051 -1.927 1.00 0.00 C ATOM 880 O ASN A 62 4.243 0.959 -1.361 1.00 0.00 O ATOM 881 CB ASN A 62 4.932 0.054 -4.170 1.00 0.00 C ATOM 882 CG ASN A 62 5.960 -0.867 -3.529 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.830 -2.158 -3.648 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 6.909 -0.398 -2.901 1.00 0.00 N flip ATOM 0 H ASN A 62 3.189 1.950 -3.847 1.00 0.00 H new ATOM 0 HA ASN A 62 3.118 -1.004 -3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.805 -0.205 -5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.284 1.085 -4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.010 0.613 -2.809 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.595 -1.020 -2.473 1.00 0.00 H new ATOM 891 N ILE A 63 3.537 -1.176 -1.276 1.00 0.00 N ATOM 892 CA ILE A 63 3.700 -1.285 0.171 1.00 0.00 C ATOM 893 C ILE A 63 5.014 -1.983 0.533 1.00 0.00 C ATOM 894 O ILE A 63 5.148 -3.192 0.346 1.00 0.00 O ATOM 895 CB ILE A 63 2.535 -2.074 0.760 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.242 -1.665 0.051 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.424 -1.774 2.256 1.00 0.00 C ATOM 898 CD1 ILE A 63 0.053 -2.347 0.725 1.00 0.00 C ATOM 0 H ILE A 63 3.190 -2.023 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 63 3.719 -0.277 0.584 1.00 0.00 H new ATOM 0 HB ILE A 63 2.702 -3.142 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.122 -0.582 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.287 -1.946 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.592 -2.337 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.349 -2.064 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.252 -0.708 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.868 -2.056 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.173 -3.429 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.005 -2.044 1.771 1.00 0.00 H new ATOM 910 N PRO A 64 5.977 -1.254 1.045 1.00 0.00 N ATOM 911 CA PRO A 64 7.292 -1.812 1.446 1.00 0.00 C ATOM 912 C PRO A 64 7.340 -2.206 2.919 1.00 0.00 C ATOM 913 O PRO A 64 6.350 -2.095 3.643 1.00 0.00 O ATOM 914 CB PRO A 64 8.223 -0.639 1.175 1.00 0.00 C ATOM 915 CG PRO A 64 7.414 0.564 1.542 1.00 0.00 C ATOM 916 CD PRO A 64 5.939 0.198 1.302 1.00 0.00 C ATOM 0 HA PRO A 64 7.543 -2.729 0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.132 -0.705 1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.531 -0.608 0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.580 0.838 2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.703 1.423 0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.321 0.435 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.524 0.744 0.455 1.00 0.00 H new ATOM 924 N ASP A 65 8.511 -2.651 3.347 1.00 0.00 N ATOM 925 CA ASP A 65 8.724 -3.050 4.732 1.00 0.00 C ATOM 926 C ASP A 65 7.787 -4.185 5.130 1.00 0.00 C ATOM 927 O ASP A 65 7.330 -4.250 6.270 1.00 0.00 O ATOM 928 CB ASP A 65 8.477 -1.854 5.653 1.00 0.00 C ATOM 929 CG ASP A 65 9.458 -0.733 5.330 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.400 -0.987 4.598 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.251 0.366 5.819 1.00 0.00 O ATOM 0 H ASP A 65 9.334 -2.746 2.752 1.00 0.00 H new ATOM 0 HA ASP A 65 9.753 -3.397 4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.454 -1.498 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.589 -2.157 6.694 1.00 0.00 H new ATOM 936 N LEU A 66 7.511 -5.083 4.194 1.00 0.00 N ATOM 937 CA LEU A 66 6.639 -6.213 4.479 1.00 0.00 C ATOM 938 C LEU A 66 7.458 -7.393 4.999 1.00 0.00 C ATOM 939 O LEU A 66 8.618 -7.564 4.625 1.00 0.00 O ATOM 940 CB LEU A 66 5.870 -6.611 3.218 1.00 0.00 C ATOM 941 CG LEU A 66 5.105 -5.395 2.686 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.127 -5.834 1.593 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.329 -4.735 3.830 1.00 0.00 C ATOM 0 H LEU A 66 7.874 -5.052 3.241 1.00 0.00 H new ATOM 0 HA LEU A 66 5.923 -5.923 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.560 -6.981 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.177 -7.422 3.442 1.00 0.00 H new ATOM 0 HG LEU A 66 5.815 -4.681 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.586 -4.965 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.679 -6.298 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.419 -6.552 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.785 -3.870 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.623 -5.451 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.026 -4.414 4.604 1.00 0.00 H new ATOM 955 N LEU A 67 6.857 -8.195 5.875 1.00 0.00 N ATOM 956 CA LEU A 67 7.546 -9.342 6.455 1.00 0.00 C ATOM 957 C LEU A 67 7.412 -10.578 5.555 1.00 0.00 C ATOM 958 O LEU A 67 6.317 -11.112 5.394 1.00 0.00 O ATOM 959 CB LEU A 67 6.936 -9.643 7.822 1.00 0.00 C ATOM 960 CG LEU A 67 7.229 -8.480 8.776 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.236 -8.504 9.940 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.653 -8.608 9.327 1.00 0.00 C ATOM 0 H LEU A 67 5.897 -8.071 6.197 1.00 0.00 H new ATOM 0 HA LEU A 67 8.605 -9.104 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.860 -9.789 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.350 -10.569 8.221 1.00 0.00 H new ATOM 0 HG LEU A 67 7.131 -7.541 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.448 -7.676 10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.221 -8.407 9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.331 -9.446 10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.857 -7.779 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.751 -9.550 9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.366 -8.586 8.502 1.00 0.00 H new ATOM 974 N PRO A 68 8.495 -11.046 4.978 1.00 0.00 N ATOM 975 CA PRO A 68 8.470 -12.251 4.093 1.00 0.00 C ATOM 976 C PRO A 68 7.917 -13.485 4.807 1.00 0.00 C ATOM 977 O PRO A 68 8.201 -13.715 5.981 1.00 0.00 O ATOM 978 CB PRO A 68 9.936 -12.484 3.710 1.00 0.00 C ATOM 979 CG PRO A 68 10.684 -11.246 4.080 1.00 0.00 C ATOM 980 CD PRO A 68 9.844 -10.479 5.100 1.00 0.00 C ATOM 0 HA PRO A 68 7.820 -12.088 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.339 -13.350 4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.029 -12.687 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.657 -11.499 4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.867 -10.633 3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.236 -10.604 6.109 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.844 -9.410 4.889 1.00 0.00 H new ATOM 988 N GLY A 69 7.131 -14.278 4.082 1.00 0.00 N ATOM 989 CA GLY A 69 6.551 -15.491 4.651 1.00 0.00 C ATOM 990 C GLY A 69 5.335 -15.167 5.512 1.00 0.00 C ATOM 991 O GLY A 69 4.952 -15.953 6.379 1.00 0.00 O ATOM 0 H GLY A 69 6.883 -14.104 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.262 -16.170 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.299 -16.008 5.252 1.00 0.00 H new ATOM 995 N ARG A 70 4.738 -14.003 5.275 1.00 0.00 N ATOM 996 CA ARG A 70 3.570 -13.587 6.048 1.00 0.00 C ATOM 997 C ARG A 70 2.390 -13.233 5.151 1.00 0.00 C ATOM 998 O ARG A 70 2.565 -12.744 4.033 1.00 0.00 O ATOM 999 CB ARG A 70 3.926 -12.390 6.921 1.00 0.00 C ATOM 1000 CG ARG A 70 4.861 -12.841 8.038 1.00 0.00 C ATOM 1001 CD ARG A 70 4.107 -13.768 8.990 1.00 0.00 C ATOM 1002 NE ARG A 70 2.752 -13.273 9.213 1.00 0.00 N ATOM 1003 CZ ARG A 70 1.679 -13.941 8.792 1.00 0.00 C ATOM 1004 NH1 ARG A 70 1.803 -15.090 8.184 1.00 0.00 N ATOM 1005 NH2 ARG A 70 0.490 -13.443 8.993 1.00 0.00 N ATOM 0 H ARG A 70 5.038 -13.337 4.563 1.00 0.00 H new ATOM 0 HA ARG A 70 3.273 -14.429 6.673 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.405 -11.617 6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.022 -11.951 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.724 -13.357 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.241 -11.975 8.581 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.070 -14.775 8.574 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.638 -13.835 9.940 1.00 0.00 H new ATOM 0 HE ARG A 70 2.623 -12.389 9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.730 -15.486 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.973 -15.591 7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.386 -12.547 9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.336 -13.949 8.673 1.00 0.00 H new ATOM 1019 N LYS A 71 1.184 -13.466 5.665 1.00 0.00 N ATOM 1020 CA LYS A 71 -0.033 -13.154 4.930 1.00 0.00 C ATOM 1021 C LYS A 71 -0.641 -11.864 5.464 1.00 0.00 C ATOM 1022 O LYS A 71 -0.814 -11.706 6.672 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.048 -14.289 5.075 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.228 -14.037 4.130 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.330 -15.070 4.386 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.295 -15.096 3.199 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.514 -15.875 3.561 1.00 0.00 N ATOM 0 H LYS A 71 1.027 -13.870 6.588 1.00 0.00 H new ATOM 0 HA LYS A 71 0.218 -13.033 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.578 -15.244 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.399 -14.349 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.618 -13.031 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.895 -14.097 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.891 -16.057 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.869 -14.823 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.571 -14.079 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.809 -15.544 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.168 -15.891 2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.243 -16.849 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.982 -15.429 4.376 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.968 -10.951 4.564 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.564 -9.682 4.965 1.00 0.00 C ATOM 1043 C TYR A 72 -2.910 -9.467 4.289 1.00 0.00 C ATOM 1044 O TYR A 72 -3.153 -9.957 3.185 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.673 -8.506 4.572 1.00 0.00 C ATOM 1046 CG TYR A 72 0.609 -8.499 5.366 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.705 -9.259 4.943 1.00 0.00 C ATOM 1048 CD2 TYR A 72 0.707 -7.709 6.517 1.00 0.00 C ATOM 1049 CE1 TYR A 72 2.899 -9.230 5.673 1.00 0.00 C ATOM 1050 CE2 TYR A 72 1.900 -7.678 7.246 1.00 0.00 C ATOM 1051 CZ TYR A 72 2.995 -8.438 6.827 1.00 0.00 C ATOM 1052 OH TYR A 72 4.171 -8.405 7.547 1.00 0.00 O ATOM 0 H TYR A 72 -0.833 -11.061 3.559 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.683 -9.728 6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.444 -8.561 3.508 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.209 -7.571 4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.630 -9.868 4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.140 -7.123 6.843 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.746 -9.817 5.348 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.975 -7.066 8.133 1.00 0.00 H new ATOM 0 HH TYR A 72 4.429 -7.474 7.709 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.755 -8.681 4.937 1.00 0.00 N ATOM 1063 CA ILE A 73 -5.050 -8.337 4.379 1.00 0.00 C ATOM 1064 C ILE A 73 -4.992 -6.882 3.961 1.00 0.00 C ATOM 1065 O ILE A 73 -4.630 -6.018 4.757 1.00 0.00 O ATOM 1066 CB ILE A 73 -6.155 -8.544 5.412 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -6.078 -9.976 5.934 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.520 -8.309 4.756 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -7.040 -10.144 7.111 1.00 0.00 C ATOM 0 H ILE A 73 -3.566 -8.270 5.851 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.275 -8.976 3.525 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.029 -7.842 6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.333 -10.678 5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.060 -10.205 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.309 -8.457 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.569 -7.290 4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.655 -9.013 3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.984 -11.167 7.483 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.765 -9.453 7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.057 -9.932 6.782 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.320 -6.614 2.712 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.263 -5.253 2.212 1.00 0.00 C ATOM 1083 C VAL A 74 -6.646 -4.731 1.868 1.00 0.00 C ATOM 1084 O VAL A 74 -7.435 -5.404 1.204 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.377 -5.192 0.969 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.180 -3.732 0.570 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -3.016 -5.828 1.274 1.00 0.00 C ATOM 0 H VAL A 74 -5.625 -7.310 2.032 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.844 -4.626 2.999 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.852 -5.737 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.548 -3.679 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.148 -3.280 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.703 -3.192 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.386 -5.783 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.535 -5.285 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.158 -6.869 1.566 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.918 -3.515 2.311 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.192 -2.877 2.042 1.00 0.00 C ATOM 1099 C ASN A 75 -7.954 -1.445 1.601 1.00 0.00 C ATOM 1100 O ASN A 75 -7.285 -0.679 2.293 1.00 0.00 O ATOM 1101 CB ASN A 75 -9.061 -2.885 3.297 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.182 -4.305 3.825 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.958 -5.102 3.297 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.453 -4.670 4.841 1.00 0.00 N ATOM 0 H ASN A 75 -6.270 -2.950 2.860 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.705 -3.426 1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.624 -2.239 4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.049 -2.485 3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.523 -5.621 5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.812 -4.005 5.274 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.501 -1.084 0.454 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.329 0.268 -0.043 1.00 0.00 C ATOM 1113 C VAL A 76 -9.602 1.062 0.174 1.00 0.00 C ATOM 1114 O VAL A 76 -10.690 0.630 -0.209 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.980 0.248 -1.529 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.558 1.650 -1.968 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.831 -0.733 -1.765 1.00 0.00 C ATOM 0 H VAL A 76 -9.059 -1.696 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.512 0.740 0.503 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.849 -0.066 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.308 1.639 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.378 2.347 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.687 1.964 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.579 -0.750 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.960 -0.418 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.134 -1.731 -1.448 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.465 2.227 0.789 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.615 3.073 1.052 1.00 0.00 C ATOM 1129 C TYR A 77 -10.428 4.427 0.393 1.00 0.00 C ATOM 1130 O TYR A 77 -9.346 5.012 0.457 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.778 3.293 2.556 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.696 1.974 3.282 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -9.446 1.481 3.676 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -11.858 1.250 3.572 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -9.358 0.263 4.357 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -11.768 0.030 4.253 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.518 -0.462 4.646 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.429 -1.664 5.315 1.00 0.00 O ATOM 0 H TYR A 77 -8.575 2.605 1.113 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.499 2.578 0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.002 3.966 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.736 3.771 2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.550 2.042 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -12.822 1.632 3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.394 -0.118 4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.663 -0.532 4.475 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.327 -2.038 5.437 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.485 4.940 -0.211 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.402 6.246 -0.838 1.00 0.00 C ATOM 1150 C GLN A 78 -12.037 7.268 0.092 1.00 0.00 C ATOM 1151 O GLN A 78 -13.086 7.015 0.684 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.119 6.249 -2.188 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.601 6.572 -1.993 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.358 6.300 -3.286 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.691 5.985 -4.363 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.587 6.378 -3.320 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.394 4.483 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.356 6.496 -1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.662 6.985 -2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.011 5.277 -2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.012 5.967 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.721 7.616 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.106 6.624 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.086 6.196 -4.191 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.379 8.402 0.244 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.864 9.441 1.134 1.00 0.00 C ATOM 1167 C ILE A 79 -12.605 10.514 0.357 1.00 0.00 C ATOM 1168 O ILE A 79 -12.053 11.147 -0.543 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.672 10.046 1.873 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.921 8.913 2.575 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.158 11.065 2.904 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.659 9.450 3.244 1.00 0.00 C ATOM 0 H ILE A 79 -10.508 8.627 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.563 9.009 1.850 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.014 10.556 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.566 8.447 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.658 8.140 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.301 11.491 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.707 11.860 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.812 10.572 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.134 8.633 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.009 9.895 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.931 10.206 3.980 1.00 0.00 H new ATOM 1184 N SER A 80 -13.868 10.703 0.717 1.00 0.00 N ATOM 1185 CA SER A 80 -14.700 11.691 0.062 1.00 0.00 C ATOM 1186 C SER A 80 -14.444 13.069 0.653 1.00 0.00 C ATOM 1187 O SER A 80 -13.780 13.203 1.680 1.00 0.00 O ATOM 1188 CB SER A 80 -16.169 11.316 0.224 1.00 0.00 C ATOM 1189 OG SER A 80 -16.599 11.654 1.533 1.00 0.00 O ATOM 0 H SER A 80 -14.334 10.182 1.460 1.00 0.00 H new ATOM 0 HA SER A 80 -14.453 11.716 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.773 11.840 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.305 10.249 0.049 1.00 0.00 H new ATOM 0 HG SER A 80 -17.555 11.459 1.624 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.963 14.088 -0.012 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.774 15.457 0.439 1.00 0.00 C ATOM 1197 C GLU A 81 -15.334 15.647 1.848 1.00 0.00 C ATOM 1198 O GLU A 81 -14.993 16.611 2.532 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.465 16.418 -0.531 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.925 16.185 -1.944 1.00 0.00 C ATOM 1201 CD GLU A 81 -13.432 16.491 -1.994 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -12.969 17.222 -1.134 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -12.776 15.994 -2.894 1.00 0.00 O ATOM 0 H GLU A 81 -15.517 13.994 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.705 15.671 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.543 16.260 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.288 17.450 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.102 15.152 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.457 16.818 -2.654 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.198 14.730 2.278 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.791 14.831 3.607 1.00 0.00 C ATOM 1212 C ASP A 82 -15.979 14.043 4.638 1.00 0.00 C ATOM 1213 O ASP A 82 -16.311 14.037 5.823 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.224 14.297 3.577 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.214 12.784 3.385 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.163 12.192 3.567 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.256 12.240 3.065 1.00 0.00 O ATOM 0 H ASP A 82 -16.499 13.921 1.734 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.791 15.882 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.735 14.550 4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.780 14.771 2.768 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.915 13.383 4.185 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.075 12.602 5.091 1.00 0.00 C ATOM 1224 C GLY A 83 -14.610 11.181 5.269 1.00 0.00 C ATOM 1225 O GLY A 83 -14.174 10.452 6.160 1.00 0.00 O ATOM 0 H GLY A 83 -14.617 13.372 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.058 12.562 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.026 13.097 6.061 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.549 10.790 4.414 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.123 9.450 4.489 1.00 0.00 C ATOM 1231 C GLU A 84 -15.261 8.442 3.740 1.00 0.00 C ATOM 1232 O GLU A 84 -14.719 8.739 2.676 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.538 9.453 3.909 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.492 10.107 4.909 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.648 9.220 6.141 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.409 8.028 6.024 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.001 9.743 7.185 1.00 0.00 O ATOM 0 H GLU A 84 -15.926 11.374 3.668 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.162 9.156 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.555 9.996 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.859 8.433 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.110 11.085 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.464 10.270 4.443 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.149 7.241 4.300 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.361 6.187 3.674 1.00 0.00 C ATOM 1246 C GLN A 85 -15.265 5.082 3.143 1.00 0.00 C ATOM 1247 O GLN A 85 -16.259 4.720 3.772 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.375 5.590 4.679 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.232 6.573 4.930 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.281 6.007 5.980 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.002 6.246 5.882 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.713 5.323 6.908 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.591 6.976 5.180 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.810 6.629 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.887 5.366 5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.980 4.648 4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.692 6.761 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.631 7.530 5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.713 5.138 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.071 4.942 7.603 1.00 0.00 H new ATOM 1261 N SER A 86 -14.904 4.540 1.987 1.00 0.00 N ATOM 1262 CA SER A 86 -15.680 3.466 1.386 1.00 0.00 C ATOM 1263 C SER A 86 -14.750 2.385 0.855 1.00 0.00 C ATOM 1264 O SER A 86 -13.784 2.677 0.151 1.00 0.00 O ATOM 1265 CB SER A 86 -16.533 4.010 0.242 1.00 0.00 C ATOM 1266 OG SER A 86 -17.481 3.025 -0.148 1.00 0.00 O ATOM 0 H SER A 86 -14.084 4.825 1.451 1.00 0.00 H new ATOM 0 HA SER A 86 -16.332 3.039 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.045 4.920 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.900 4.277 -0.604 1.00 0.00 H new ATOM 0 HG SER A 86 -18.031 3.372 -0.881 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.041 1.137 1.193 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.210 0.035 0.734 1.00 0.00 C ATOM 1274 C LEU A 87 -14.428 -0.202 -0.752 1.00 0.00 C ATOM 1275 O LEU A 87 -15.532 -0.535 -1.183 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.544 -1.233 1.518 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.605 -2.364 1.098 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.200 -2.095 1.637 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.125 -3.690 1.664 1.00 0.00 C ATOM 0 H LEU A 87 -15.834 0.865 1.774 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.164 0.291 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.448 -1.046 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.579 -1.521 1.337 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.567 -2.419 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.534 -2.903 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.831 -1.151 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.232 -2.038 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.458 -4.499 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.162 -3.632 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.125 -3.884 1.277 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.372 -0.015 -1.533 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.468 -0.201 -2.974 1.00 0.00 C ATOM 1293 C ILE A 88 -12.694 -1.435 -3.416 1.00 0.00 C ATOM 1294 O ILE A 88 -12.956 -1.990 -4.482 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.923 1.034 -3.695 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.412 1.149 -3.458 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.622 2.284 -3.159 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.839 2.273 -4.326 1.00 0.00 C ATOM 0 H ILE A 88 -12.449 0.262 -1.198 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.518 -0.341 -3.231 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.111 0.940 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.213 1.352 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.923 0.205 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.235 3.165 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.695 2.204 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.435 2.375 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.765 2.353 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.024 2.052 -5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.319 3.216 -4.064 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.740 -1.862 -2.597 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.944 -3.036 -2.940 1.00 0.00 C ATOM 1312 C LEU A 89 -10.386 -3.707 -1.691 1.00 0.00 C ATOM 1313 O LEU A 89 -9.655 -3.092 -0.913 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.786 -2.637 -3.857 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.053 -3.902 -4.316 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.882 -4.622 -5.384 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.687 -3.530 -4.899 1.00 0.00 C ATOM 0 H LEU A 89 -11.501 -1.424 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.596 -3.742 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.161 -2.086 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.099 -1.975 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.913 -4.561 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.357 -5.521 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.851 -4.898 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.029 -3.961 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.171 -4.434 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.824 -2.865 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.092 -3.026 -4.138 1.00 0.00 H new ATOM 1329 N SER A 90 -10.722 -4.980 -1.518 1.00 0.00 N ATOM 1330 CA SER A 90 -10.240 -5.745 -0.375 1.00 0.00 C ATOM 1331 C SER A 90 -9.678 -7.077 -0.857 1.00 0.00 C ATOM 1332 O SER A 90 -10.399 -7.889 -1.436 1.00 0.00 O ATOM 1333 CB SER A 90 -11.387 -5.993 0.604 1.00 0.00 C ATOM 1334 OG SER A 90 -10.878 -6.604 1.780 1.00 0.00 O ATOM 0 H SER A 90 -11.325 -5.503 -2.153 1.00 0.00 H new ATOM 0 HA SER A 90 -9.456 -5.182 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.878 -5.052 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.140 -6.633 0.145 1.00 0.00 H new ATOM 0 HG SER A 90 -10.435 -5.928 2.334 1.00 0.00 H new ATOM 1340 N THR A 91 -8.387 -7.296 -0.627 1.00 0.00 N ATOM 1341 CA THR A 91 -7.755 -8.535 -1.059 1.00 0.00 C ATOM 1342 C THR A 91 -6.598 -8.898 -0.136 1.00 0.00 C ATOM 1343 O THR A 91 -6.017 -8.032 0.512 1.00 0.00 O ATOM 1344 CB THR A 91 -7.245 -8.384 -2.495 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.980 -9.668 -3.042 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.961 -7.555 -2.497 1.00 0.00 C ATOM 0 H THR A 91 -7.767 -6.641 -0.151 1.00 0.00 H new ATOM 0 HA THR A 91 -8.495 -9.334 -1.019 1.00 0.00 H new ATOM 0 HB THR A 91 -8.002 -7.882 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.655 -9.571 -3.962 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.599 -7.448 -3.519 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.164 -6.569 -2.079 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.204 -8.056 -1.894 1.00 0.00 H new ATOM 1354 N SER A 92 -6.266 -10.183 -0.088 1.00 0.00 N ATOM 1355 CA SER A 92 -5.170 -10.648 0.754 1.00 0.00 C ATOM 1356 C SER A 92 -4.041 -11.202 -0.102 1.00 0.00 C ATOM 1357 O SER A 92 -4.260 -11.627 -1.236 1.00 0.00 O ATOM 1358 CB SER A 92 -5.660 -11.736 1.710 1.00 0.00 C ATOM 1359 OG SER A 92 -6.046 -12.879 0.960 1.00 0.00 O ATOM 0 H SER A 92 -6.736 -10.917 -0.618 1.00 0.00 H new ATOM 0 HA SER A 92 -4.800 -9.800 1.331 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.872 -11.999 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.503 -11.369 2.296 1.00 0.00 H new ATOM 0 HG SER A 92 -6.359 -13.580 1.569 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.834 -11.198 0.449 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.678 -11.709 -0.274 1.00 0.00 C ATOM 1367 C GLN A 93 -0.716 -12.407 0.673 1.00 0.00 C ATOM 1368 O GLN A 93 -0.644 -12.083 1.859 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.939 -10.567 -0.967 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.846 -9.903 -2.000 1.00 0.00 C ATOM 1371 CD GLN A 93 -1.050 -8.859 -2.774 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.209 -8.668 -2.478 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.583 -8.204 -3.669 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.631 -10.850 1.386 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.038 -12.422 -1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.617 -9.832 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.040 -10.947 -1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.247 -10.652 -2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.697 -9.435 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.566 -8.356 -3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.042 -7.509 -4.183 1.00 0.00 H new ATOM 1382 N THR A 94 0.040 -13.349 0.130 1.00 0.00 N ATOM 1383 CA THR A 94 1.020 -14.074 0.918 1.00 0.00 C ATOM 1384 C THR A 94 2.419 -13.718 0.429 1.00 0.00 C ATOM 1385 O THR A 94 2.837 -14.141 -0.649 1.00 0.00 O ATOM 1386 CB THR A 94 0.782 -15.579 0.779 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.570 -15.807 0.406 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.067 -16.275 2.112 1.00 0.00 C ATOM 0 H THR A 94 -0.007 -13.627 -0.850 1.00 0.00 H new ATOM 0 HA THR A 94 0.924 -13.798 1.968 1.00 0.00 H new ATOM 0 HB THR A 94 1.448 -15.981 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.726 -16.770 0.314 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.896 -17.346 2.007 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.104 -16.100 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.405 -15.875 2.880 1.00 0.00 H new ATOM 1396 N THR A 95 3.136 -12.925 1.219 1.00 0.00 N ATOM 1397 CA THR A 95 4.481 -12.508 0.841 1.00 0.00 C ATOM 1398 C THR A 95 5.297 -13.702 0.359 1.00 0.00 C ATOM 1399 O THR A 95 5.833 -13.627 -0.736 1.00 0.00 O ATOM 1400 CB THR A 95 5.182 -11.844 2.030 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.033 -12.661 3.184 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.560 -10.469 2.288 1.00 0.00 C ATOM 1403 OXT THR A 95 5.373 -14.676 1.090 1.00 0.00 O ATOM 0 H THR A 95 2.812 -12.562 2.115 1.00 0.00 H new ATOM 0 HA THR A 95 4.401 -11.788 0.026 1.00 0.00 H new ATOM 0 HB THR A 95 6.242 -11.724 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.154 -12.501 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.059 -9.997 3.134 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.678 -9.844 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.499 -10.585 2.511 1.00 0.00 H new TER 1411 THR A 95