USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 767 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 49 SER OG : rot -124:sc= 0.429 USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0.422 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0159 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 28:sc= 0.185 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.3) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -123:sc= -0.649 (180deg=-2.24!) USER MOD Single : A 27 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -127:sc= -0.105 (180deg=-1.44!) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= -5.07! (180deg=-5.23!) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0421 (180deg=-0.285) USER MOD Single : A 48 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.25) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.496 USER MOD Single : A 58 HIS : no HD1:sc=-0.00651 X(o=-0.0065,f=-0.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS :FLIP no HD1:sc= -1.13 F(o=-4.3!,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 79 HIS : no HE2:sc= -7.03! C(o=-7!,f=-8.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -2.68! C(o=-2.7!,f=-3.2!) USER MOD Single : A 93 SER OG : rot 120:sc= -1.09 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0302 K(o=-0.03,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.382 31.251 4.730 1.00 0.00 N ATOM 2 CA GLY A 1 7.648 30.831 5.910 1.00 0.00 C ATOM 3 C GLY A 1 6.680 29.701 5.618 1.00 0.00 C ATOM 4 O GLY A 1 6.974 28.814 4.817 1.00 0.00 O ATOM 0 H1 GLY A 1 9.357 31.496 4.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.397 30.476 4.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.919 32.082 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.353 30.513 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.098 31.681 6.314 1.00 0.00 H new ATOM 8 N SER A 2 5.523 29.733 6.271 1.00 0.00 N ATOM 9 CA SER A 2 4.510 28.700 6.082 1.00 0.00 C ATOM 10 C SER A 2 3.442 29.162 5.095 1.00 0.00 C ATOM 11 O SER A 2 2.894 30.256 5.222 1.00 0.00 O ATOM 12 CB SER A 2 3.862 28.341 7.420 1.00 0.00 C ATOM 13 OG SER A 2 4.706 27.496 8.184 1.00 0.00 O ATOM 0 H SER A 2 5.263 30.462 6.935 1.00 0.00 H new ATOM 0 HA SER A 2 4.999 27.815 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.649 29.251 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.908 27.845 7.244 1.00 0.00 H new ATOM 0 HG SER A 2 4.270 27.282 9.035 1.00 0.00 H new ATOM 19 N SER A 3 3.152 28.318 4.109 1.00 0.00 N ATOM 20 CA SER A 3 2.153 28.639 3.097 1.00 0.00 C ATOM 21 C SER A 3 0.743 28.414 3.635 1.00 0.00 C ATOM 22 O SER A 3 -0.127 29.274 3.506 1.00 0.00 O ATOM 23 CB SER A 3 2.374 27.789 1.844 1.00 0.00 C ATOM 24 OG SER A 3 3.709 27.902 1.381 1.00 0.00 O ATOM 0 H SER A 3 3.595 27.407 3.990 1.00 0.00 H new ATOM 0 HA SER A 3 2.261 29.692 2.837 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.149 26.745 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.686 28.105 1.060 1.00 0.00 H new ATOM 0 HG SER A 3 3.826 27.349 0.581 1.00 0.00 H new ATOM 30 N GLY A 4 0.526 27.249 4.239 1.00 0.00 N ATOM 31 CA GLY A 4 -0.780 26.931 4.788 1.00 0.00 C ATOM 32 C GLY A 4 -1.776 26.529 3.718 1.00 0.00 C ATOM 33 O GLY A 4 -2.242 27.368 2.948 1.00 0.00 O ATOM 0 H GLY A 4 1.230 26.521 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.680 26.120 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.163 27.795 5.330 1.00 0.00 H new ATOM 37 N SER A 5 -2.102 25.241 3.669 1.00 0.00 N ATOM 38 CA SER A 5 -3.046 24.729 2.682 1.00 0.00 C ATOM 39 C SER A 5 -4.480 24.851 3.187 1.00 0.00 C ATOM 40 O SER A 5 -4.756 24.632 4.366 1.00 0.00 O ATOM 41 CB SER A 5 -2.731 23.268 2.355 1.00 0.00 C ATOM 42 OG SER A 5 -3.064 22.420 3.440 1.00 0.00 O ATOM 0 H SER A 5 -1.727 24.534 4.301 1.00 0.00 H new ATOM 0 HA SER A 5 -2.947 25.327 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.285 22.963 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.672 23.165 2.120 1.00 0.00 H new ATOM 0 HG SER A 5 -2.855 21.492 3.206 1.00 0.00 H new ATOM 48 N SER A 6 -5.390 25.204 2.284 1.00 0.00 N ATOM 49 CA SER A 6 -6.796 25.360 2.637 1.00 0.00 C ATOM 50 C SER A 6 -7.684 25.232 1.403 1.00 0.00 C ATOM 51 O SER A 6 -7.476 25.916 0.402 1.00 0.00 O ATOM 52 CB SER A 6 -7.028 26.715 3.308 1.00 0.00 C ATOM 53 OG SER A 6 -6.574 27.776 2.486 1.00 0.00 O ATOM 0 H SER A 6 -5.178 25.387 1.303 1.00 0.00 H new ATOM 0 HA SER A 6 -7.059 24.566 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.090 26.843 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.507 26.744 4.265 1.00 0.00 H new ATOM 0 HG SER A 6 -6.633 27.509 1.545 1.00 0.00 H new ATOM 59 N GLY A 7 -8.676 24.350 1.483 1.00 0.00 N ATOM 60 CA GLY A 7 -9.580 24.148 0.367 1.00 0.00 C ATOM 61 C GLY A 7 -9.447 22.767 -0.244 1.00 0.00 C ATOM 62 O GLY A 7 -8.812 21.884 0.332 1.00 0.00 O ATOM 0 H GLY A 7 -8.869 23.772 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.606 24.296 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.383 24.900 -0.397 1.00 0.00 H new ATOM 66 N SER A 8 -10.049 22.579 -1.414 1.00 0.00 N ATOM 67 CA SER A 8 -9.999 21.294 -2.102 1.00 0.00 C ATOM 68 C SER A 8 -8.556 20.866 -2.351 1.00 0.00 C ATOM 69 O SER A 8 -7.635 21.681 -2.281 1.00 0.00 O ATOM 70 CB SER A 8 -10.757 21.371 -3.428 1.00 0.00 C ATOM 71 OG SER A 8 -9.972 21.998 -4.428 1.00 0.00 O ATOM 0 H SER A 8 -10.577 23.300 -1.905 1.00 0.00 H new ATOM 0 HA SER A 8 -10.475 20.550 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.031 20.367 -3.753 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.685 21.926 -3.289 1.00 0.00 H new ATOM 0 HG SER A 8 -10.478 22.034 -5.267 1.00 0.00 H new ATOM 77 N ASP A 9 -8.368 19.584 -2.643 1.00 0.00 N ATOM 78 CA ASP A 9 -7.037 19.047 -2.904 1.00 0.00 C ATOM 79 C ASP A 9 -7.093 17.948 -3.961 1.00 0.00 C ATOM 80 O ASP A 9 -8.171 17.488 -4.335 1.00 0.00 O ATOM 81 CB ASP A 9 -6.422 18.502 -1.615 1.00 0.00 C ATOM 82 CG ASP A 9 -6.440 19.517 -0.489 1.00 0.00 C ATOM 83 OD1 ASP A 9 -7.526 19.749 0.083 1.00 0.00 O ATOM 84 OD2 ASP A 9 -5.369 20.080 -0.181 1.00 0.00 O ATOM 0 H ASP A 9 -9.120 18.897 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.412 19.857 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.967 17.610 -1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.394 18.196 -1.808 1.00 0.00 H new ATOM 89 N ASP A 10 -5.924 17.534 -4.438 1.00 0.00 N ATOM 90 CA ASP A 10 -5.839 16.489 -5.451 1.00 0.00 C ATOM 91 C ASP A 10 -5.620 15.124 -4.807 1.00 0.00 C ATOM 92 O ASP A 10 -4.575 14.500 -4.991 1.00 0.00 O ATOM 93 CB ASP A 10 -4.706 16.792 -6.433 1.00 0.00 C ATOM 94 CG ASP A 10 -4.803 18.187 -7.017 1.00 0.00 C ATOM 95 OD1 ASP A 10 -4.309 19.136 -6.373 1.00 0.00 O ATOM 96 OD2 ASP A 10 -5.373 18.330 -8.119 1.00 0.00 O ATOM 0 H ASP A 10 -5.023 17.906 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.784 16.466 -5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.749 16.680 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.725 16.061 -7.241 1.00 0.00 H new ATOM 101 N ALA A 11 -6.612 14.666 -4.051 1.00 0.00 N ATOM 102 CA ALA A 11 -6.528 13.374 -3.381 1.00 0.00 C ATOM 103 C ALA A 11 -7.025 12.252 -4.286 1.00 0.00 C ATOM 104 O ALA A 11 -6.315 11.276 -4.528 1.00 0.00 O ATOM 105 CB ALA A 11 -7.324 13.400 -2.084 1.00 0.00 C ATOM 0 H ALA A 11 -7.483 15.170 -3.887 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.481 13.181 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.253 12.429 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.921 14.169 -1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.369 13.620 -2.303 1.00 0.00 H new ATOM 111 N ARG A 12 -8.249 12.398 -4.783 1.00 0.00 N ATOM 112 CA ARG A 12 -8.842 11.395 -5.660 1.00 0.00 C ATOM 113 C ARG A 12 -8.038 11.259 -6.951 1.00 0.00 C ATOM 114 O ARG A 12 -8.198 10.290 -7.693 1.00 0.00 O ATOM 115 CB ARG A 12 -10.290 11.763 -5.986 1.00 0.00 C ATOM 116 CG ARG A 12 -10.423 12.791 -7.097 1.00 0.00 C ATOM 117 CD ARG A 12 -11.852 12.877 -7.610 1.00 0.00 C ATOM 118 NE ARG A 12 -12.746 13.499 -6.636 1.00 0.00 N ATOM 119 CZ ARG A 12 -14.064 13.562 -6.784 1.00 0.00 C ATOM 120 NH1 ARG A 12 -14.639 13.043 -7.861 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.811 14.144 -5.855 1.00 0.00 N ATOM 0 H ARG A 12 -8.849 13.201 -4.594 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.826 10.438 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.830 10.860 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.769 12.149 -5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.108 13.768 -6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.756 12.529 -7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.871 13.450 -8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.213 11.876 -7.847 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.335 13.907 -5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.068 12.594 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.652 13.093 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.373 14.544 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.823 14.191 -5.970 1.00 0.00 H new ATOM 135 N ARG A 13 -7.175 12.235 -7.210 1.00 0.00 N ATOM 136 CA ARG A 13 -6.349 12.225 -8.411 1.00 0.00 C ATOM 137 C ARG A 13 -5.275 11.145 -8.323 1.00 0.00 C ATOM 138 O ARG A 13 -4.924 10.519 -9.324 1.00 0.00 O ATOM 139 CB ARG A 13 -5.695 13.593 -8.618 1.00 0.00 C ATOM 140 CG ARG A 13 -6.535 14.550 -9.446 1.00 0.00 C ATOM 141 CD ARG A 13 -7.620 15.208 -8.608 1.00 0.00 C ATOM 142 NE ARG A 13 -8.717 15.713 -9.430 1.00 0.00 N ATOM 143 CZ ARG A 13 -9.627 16.576 -8.992 1.00 0.00 C ATOM 144 NH1 ARG A 13 -9.571 17.028 -7.747 1.00 0.00 N ATOM 145 NH2 ARG A 13 -10.595 16.988 -9.800 1.00 0.00 N ATOM 0 H ARG A 13 -7.029 13.043 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.993 12.005 -9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.499 14.044 -7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.730 13.455 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.893 15.317 -9.879 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.992 14.010 -10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.009 14.488 -7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.188 16.029 -8.036 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.788 15.385 -10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.828 16.713 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.271 17.691 -7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.641 16.642 -10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.293 17.651 -9.463 1.00 0.00 H new ATOM 159 N LEU A 14 -4.756 10.930 -7.119 1.00 0.00 N ATOM 160 CA LEU A 14 -3.722 9.926 -6.899 1.00 0.00 C ATOM 161 C LEU A 14 -4.173 8.560 -7.406 1.00 0.00 C ATOM 162 O LEU A 14 -5.300 8.132 -7.155 1.00 0.00 O ATOM 163 CB LEU A 14 -3.374 9.840 -5.412 1.00 0.00 C ATOM 164 CG LEU A 14 -2.319 10.827 -4.911 1.00 0.00 C ATOM 165 CD1 LEU A 14 -2.940 12.194 -4.668 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.659 10.306 -3.643 1.00 0.00 C ATOM 0 H LEU A 14 -5.035 11.438 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.835 10.226 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.287 9.992 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.027 8.829 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.552 10.930 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.174 12.883 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.364 12.572 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.727 12.108 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.911 11.022 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.414 10.173 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.178 9.350 -3.850 1.00 0.00 H new ATOM 178 N THR A 15 -3.284 7.877 -8.122 1.00 0.00 N ATOM 179 CA THR A 15 -3.589 6.559 -8.664 1.00 0.00 C ATOM 180 C THR A 15 -2.627 5.507 -8.126 1.00 0.00 C ATOM 181 O THR A 15 -1.455 5.791 -7.880 1.00 0.00 O ATOM 182 CB THR A 15 -3.527 6.557 -10.203 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.235 7.688 -10.724 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.123 5.276 -10.767 1.00 0.00 C ATOM 0 H THR A 15 -2.347 8.216 -8.340 1.00 0.00 H new ATOM 0 HA THR A 15 -4.603 6.314 -8.348 1.00 0.00 H new ATOM 0 HB THR A 15 -2.480 6.615 -10.502 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.189 7.680 -11.703 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.068 5.298 -11.855 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.564 4.419 -10.392 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.165 5.193 -10.458 1.00 0.00 H new ATOM 192 N VAL A 16 -3.128 4.289 -7.947 1.00 0.00 N ATOM 193 CA VAL A 16 -2.312 3.193 -7.440 1.00 0.00 C ATOM 194 C VAL A 16 -1.908 2.243 -8.563 1.00 0.00 C ATOM 195 O VAL A 16 -2.758 1.627 -9.204 1.00 0.00 O ATOM 196 CB VAL A 16 -3.055 2.396 -6.352 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.152 1.321 -5.766 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.564 3.328 -5.263 1.00 0.00 C ATOM 0 H VAL A 16 -4.096 4.037 -8.146 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.418 3.640 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.914 1.905 -6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.695 0.768 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.842 0.636 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.272 1.787 -5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.087 2.748 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.722 3.849 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.249 4.056 -5.698 1.00 0.00 H new ATOM 208 N MET A 17 -0.604 2.131 -8.795 1.00 0.00 N ATOM 209 CA MET A 17 -0.087 1.255 -9.840 1.00 0.00 C ATOM 210 C MET A 17 0.543 0.003 -9.237 1.00 0.00 C ATOM 211 O MET A 17 1.031 0.025 -8.107 1.00 0.00 O ATOM 212 CB MET A 17 0.943 1.997 -10.694 1.00 0.00 C ATOM 213 CG MET A 17 0.347 3.121 -11.525 1.00 0.00 C ATOM 214 SD MET A 17 1.474 3.715 -12.802 1.00 0.00 S ATOM 215 CE MET A 17 0.627 3.166 -14.282 1.00 0.00 C ATOM 0 H MET A 17 0.113 2.635 -8.274 1.00 0.00 H new ATOM 0 HA MET A 17 -0.922 0.952 -10.472 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.715 2.408 -10.043 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.432 1.285 -11.359 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.574 2.773 -11.992 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.078 3.949 -10.869 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.202 3.459 -15.160 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.525 2.081 -14.261 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.362 3.623 -14.326 1.00 0.00 H new ATOM 225 N SER A 18 0.527 -1.086 -9.998 1.00 0.00 N ATOM 226 CA SER A 18 1.093 -2.349 -9.537 1.00 0.00 C ATOM 227 C SER A 18 0.414 -2.811 -8.251 1.00 0.00 C ATOM 228 O SER A 18 1.060 -3.359 -7.357 1.00 0.00 O ATOM 229 CB SER A 18 2.599 -2.205 -9.309 1.00 0.00 C ATOM 230 OG SER A 18 3.324 -2.493 -10.492 1.00 0.00 O ATOM 0 H SER A 18 0.129 -1.120 -10.936 1.00 0.00 H new ATOM 0 HA SER A 18 0.920 -3.099 -10.309 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.825 -1.191 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.915 -2.878 -8.512 1.00 0.00 H new ATOM 0 HG SER A 18 4.284 -2.392 -10.320 1.00 0.00 H new ATOM 236 N LEU A 19 -0.892 -2.586 -8.166 1.00 0.00 N ATOM 237 CA LEU A 19 -1.661 -2.978 -6.990 1.00 0.00 C ATOM 238 C LEU A 19 -2.142 -4.421 -7.110 1.00 0.00 C ATOM 239 O LEU A 19 -2.884 -4.762 -8.031 1.00 0.00 O ATOM 240 CB LEU A 19 -2.857 -2.043 -6.803 1.00 0.00 C ATOM 241 CG LEU A 19 -3.766 -2.347 -5.611 1.00 0.00 C ATOM 242 CD1 LEU A 19 -3.093 -1.940 -4.309 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.103 -1.638 -5.766 1.00 0.00 C ATOM 0 H LEU A 19 -1.441 -2.134 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.010 -2.903 -6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.484 -1.024 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.460 -2.071 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.948 -3.421 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.754 -2.164 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.161 -2.493 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.881 -0.871 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.737 -1.866 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.940 -0.562 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.591 -1.978 -6.679 1.00 0.00 H new ATOM 255 N GLN A 20 -1.717 -5.262 -6.173 1.00 0.00 N ATOM 256 CA GLN A 20 -2.106 -6.667 -6.175 1.00 0.00 C ATOM 257 C GLN A 20 -3.505 -6.845 -5.593 1.00 0.00 C ATOM 258 O GLN A 20 -3.699 -6.751 -4.381 1.00 0.00 O ATOM 259 CB GLN A 20 -1.099 -7.497 -5.376 1.00 0.00 C ATOM 260 CG GLN A 20 -0.995 -8.940 -5.844 1.00 0.00 C ATOM 261 CD GLN A 20 -0.193 -9.083 -7.123 1.00 0.00 C ATOM 262 OE1 GLN A 20 -0.671 -8.752 -8.208 1.00 0.00 O ATOM 263 NE2 GLN A 20 1.033 -9.577 -7.001 1.00 0.00 N ATOM 0 H GLN A 20 -1.104 -4.995 -5.403 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.115 -7.015 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.117 -7.029 -5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.383 -7.484 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.532 -9.540 -5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.997 -9.340 -6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.388 -9.838 -6.081 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.620 -9.695 -7.827 1.00 0.00 H new ATOM 272 N GLU A 21 -4.475 -7.100 -6.465 1.00 0.00 N ATOM 273 CA GLU A 21 -5.856 -7.290 -6.036 1.00 0.00 C ATOM 274 C GLU A 21 -6.007 -8.587 -5.246 1.00 0.00 C ATOM 275 O GLU A 21 -6.232 -8.566 -4.036 1.00 0.00 O ATOM 276 CB GLU A 21 -6.791 -7.305 -7.247 1.00 0.00 C ATOM 277 CG GLU A 21 -8.185 -6.782 -6.946 1.00 0.00 C ATOM 278 CD GLU A 21 -9.092 -7.843 -6.353 1.00 0.00 C ATOM 279 OE1 GLU A 21 -8.576 -8.743 -5.658 1.00 0.00 O ATOM 280 OE2 GLU A 21 -10.317 -7.773 -6.585 1.00 0.00 O ATOM 0 H GLU A 21 -4.331 -7.180 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.126 -6.457 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.351 -6.704 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.868 -8.325 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.112 -5.943 -6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.631 -6.400 -7.864 1.00 0.00 H new ATOM 287 N SER A 22 -5.883 -9.713 -5.941 1.00 0.00 N ATOM 288 CA SER A 22 -6.011 -11.020 -5.306 1.00 0.00 C ATOM 289 C SER A 22 -4.798 -11.893 -5.612 1.00 0.00 C ATOM 290 O SER A 22 -4.887 -13.120 -5.617 1.00 0.00 O ATOM 291 CB SER A 22 -7.288 -11.718 -5.778 1.00 0.00 C ATOM 292 OG SER A 22 -7.407 -11.663 -7.189 1.00 0.00 O ATOM 0 H SER A 22 -5.694 -9.747 -6.943 1.00 0.00 H new ATOM 0 HA SER A 22 -6.066 -10.869 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.280 -12.758 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.156 -11.246 -5.318 1.00 0.00 H new ATOM 0 HG SER A 22 -8.230 -12.117 -7.466 1.00 0.00 H new ATOM 298 N GLY A 23 -3.662 -11.250 -5.868 1.00 0.00 N ATOM 299 CA GLY A 23 -2.447 -11.982 -6.172 1.00 0.00 C ATOM 300 C GLY A 23 -1.365 -11.765 -5.133 1.00 0.00 C ATOM 301 O GLY A 23 -0.180 -11.695 -5.464 1.00 0.00 O ATOM 0 H GLY A 23 -3.562 -10.235 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.674 -13.046 -6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.075 -11.674 -7.149 1.00 0.00 H new ATOM 305 N LEU A 24 -1.770 -11.658 -3.872 1.00 0.00 N ATOM 306 CA LEU A 24 -0.826 -11.446 -2.780 1.00 0.00 C ATOM 307 C LEU A 24 -0.299 -12.776 -2.250 1.00 0.00 C ATOM 308 O LEU A 24 -0.903 -13.826 -2.468 1.00 0.00 O ATOM 309 CB LEU A 24 -1.491 -10.660 -1.649 1.00 0.00 C ATOM 310 CG LEU A 24 -1.505 -9.140 -1.806 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.180 -8.486 -0.610 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.089 -8.608 -1.977 1.00 0.00 C ATOM 0 H LEU A 24 -2.746 -11.715 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 24 0.015 -10.871 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.520 -11.004 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.983 -10.904 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.076 -8.892 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.181 -7.404 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.207 -8.843 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.637 -8.742 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.118 -7.524 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.505 -8.868 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.361 -9.051 -2.865 1.00 0.00 H new ATOM 324 N LYS A 25 0.830 -12.723 -1.551 1.00 0.00 N ATOM 325 CA LYS A 25 1.437 -13.922 -0.985 1.00 0.00 C ATOM 326 C LYS A 25 1.676 -13.756 0.512 1.00 0.00 C ATOM 327 O LYS A 25 2.146 -12.712 0.964 1.00 0.00 O ATOM 328 CB LYS A 25 2.759 -14.231 -1.692 1.00 0.00 C ATOM 329 CG LYS A 25 2.601 -15.116 -2.917 1.00 0.00 C ATOM 330 CD LYS A 25 2.275 -16.549 -2.531 1.00 0.00 C ATOM 331 CE LYS A 25 3.525 -17.314 -2.124 1.00 0.00 C ATOM 332 NZ LYS A 25 3.824 -17.157 -0.674 1.00 0.00 N ATOM 0 H LYS A 25 1.343 -11.862 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 25 0.748 -14.753 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.230 -13.294 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.433 -14.717 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.809 -14.720 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.520 -15.096 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.561 -16.552 -1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.796 -17.053 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.395 -18.371 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.374 -16.961 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.783 -16.771 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.134 -16.507 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.764 -18.083 -0.205 1.00 0.00 H new ATOM 346 N VAL A 26 1.349 -14.793 1.277 1.00 0.00 N ATOM 347 CA VAL A 26 1.531 -14.763 2.723 1.00 0.00 C ATOM 348 C VAL A 26 2.997 -14.951 3.097 1.00 0.00 C ATOM 349 O VAL A 26 3.715 -15.723 2.464 1.00 0.00 O ATOM 350 CB VAL A 26 0.692 -15.853 3.417 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.763 -15.766 2.981 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.263 -17.232 3.123 1.00 0.00 C ATOM 0 H VAL A 26 0.957 -15.664 0.919 1.00 0.00 H new ATOM 0 HA VAL A 26 1.195 -13.784 3.064 1.00 0.00 H new ATOM 0 HB VAL A 26 0.734 -15.689 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.340 -16.544 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.165 -14.788 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.828 -15.904 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.658 -17.990 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.253 -17.408 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.288 -17.287 3.490 1.00 0.00 H new ATOM 362 N ASN A 27 3.434 -14.239 4.131 1.00 0.00 N ATOM 363 CA ASN A 27 4.815 -14.327 4.590 1.00 0.00 C ATOM 364 C ASN A 27 5.782 -13.893 3.492 1.00 0.00 C ATOM 365 O ASN A 27 6.848 -14.484 3.322 1.00 0.00 O ATOM 366 CB ASN A 27 5.137 -15.756 5.033 1.00 0.00 C ATOM 367 CG ASN A 27 4.256 -16.219 6.177 1.00 0.00 C ATOM 368 OD1 ASN A 27 4.252 -15.621 7.254 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.504 -17.289 5.949 1.00 0.00 N ATOM 0 H ASN A 27 2.852 -13.595 4.666 1.00 0.00 H new ATOM 0 HA ASN A 27 4.933 -13.655 5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.014 -16.432 4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.182 -15.812 5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.891 -17.647 6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.539 -17.753 5.041 1.00 0.00 H new ATOM 376 N GLN A 28 5.401 -12.857 2.752 1.00 0.00 N ATOM 377 CA GLN A 28 6.235 -12.345 1.671 1.00 0.00 C ATOM 378 C GLN A 28 6.102 -10.830 1.552 1.00 0.00 C ATOM 379 O GLN A 28 5.022 -10.262 1.717 1.00 0.00 O ATOM 380 CB GLN A 28 5.852 -13.007 0.346 1.00 0.00 C ATOM 381 CG GLN A 28 6.414 -14.410 0.183 1.00 0.00 C ATOM 382 CD GLN A 28 7.872 -14.410 -0.234 1.00 0.00 C ATOM 383 OE1 GLN A 28 8.768 -14.286 0.601 1.00 0.00 O ATOM 384 NE2 GLN A 28 8.117 -14.550 -1.531 1.00 0.00 N ATOM 0 H GLN A 28 4.522 -12.356 2.881 1.00 0.00 H new ATOM 0 HA GLN A 28 7.273 -12.584 1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.765 -13.049 0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.205 -12.385 -0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.309 -14.951 1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.827 -14.948 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.343 -14.650 -2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.079 -14.558 -1.870 1.00 0.00 H new ATOM 393 N PRO A 29 7.225 -10.158 1.261 1.00 0.00 N ATOM 394 CA PRO A 29 7.260 -8.700 1.114 1.00 0.00 C ATOM 395 C PRO A 29 6.534 -8.226 -0.141 1.00 0.00 C ATOM 396 O PRO A 29 6.947 -8.530 -1.260 1.00 0.00 O ATOM 397 CB PRO A 29 8.755 -8.389 1.017 1.00 0.00 C ATOM 398 CG PRO A 29 9.370 -9.641 0.493 1.00 0.00 C ATOM 399 CD PRO A 29 8.548 -10.770 1.051 1.00 0.00 C ATOM 0 HA PRO A 29 6.759 -8.195 1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.942 -7.547 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.168 -8.122 1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.362 -9.654 -0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.411 -9.725 0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.497 -11.610 0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.967 -11.150 1.983 1.00 0.00 H new ATOM 407 N ALA A 30 5.452 -7.480 0.053 1.00 0.00 N ATOM 408 CA ALA A 30 4.670 -6.963 -1.063 1.00 0.00 C ATOM 409 C ALA A 30 4.545 -5.445 -0.988 1.00 0.00 C ATOM 410 O ALA A 30 4.150 -4.895 0.040 1.00 0.00 O ATOM 411 CB ALA A 30 3.293 -7.608 -1.087 1.00 0.00 C ATOM 0 H ALA A 30 5.097 -7.220 0.973 1.00 0.00 H new ATOM 0 HA ALA A 30 5.191 -7.213 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.720 -7.212 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.399 -8.687 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.772 -7.388 -0.156 1.00 0.00 H new ATOM 417 N SER A 31 4.883 -4.773 -2.084 1.00 0.00 N ATOM 418 CA SER A 31 4.812 -3.317 -2.140 1.00 0.00 C ATOM 419 C SER A 31 4.159 -2.855 -3.439 1.00 0.00 C ATOM 420 O SER A 31 4.126 -3.589 -4.427 1.00 0.00 O ATOM 421 CB SER A 31 6.212 -2.712 -2.017 1.00 0.00 C ATOM 422 OG SER A 31 6.980 -2.962 -3.182 1.00 0.00 O ATOM 0 H SER A 31 5.209 -5.213 -2.945 1.00 0.00 H new ATOM 0 HA SER A 31 4.201 -2.975 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.134 -1.637 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.718 -3.131 -1.147 1.00 0.00 H new ATOM 0 HG SER A 31 7.870 -2.564 -3.079 1.00 0.00 H new ATOM 428 N PHE A 32 3.638 -1.633 -3.429 1.00 0.00 N ATOM 429 CA PHE A 32 2.983 -1.071 -4.605 1.00 0.00 C ATOM 430 C PHE A 32 3.487 0.341 -4.886 1.00 0.00 C ATOM 431 O PHE A 32 4.135 0.960 -4.042 1.00 0.00 O ATOM 432 CB PHE A 32 1.466 -1.054 -4.411 1.00 0.00 C ATOM 433 CG PHE A 32 1.035 -0.444 -3.107 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.254 0.899 -2.849 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.412 -1.215 -2.139 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.859 1.463 -1.651 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.015 -0.657 -0.939 1.00 0.00 C ATOM 438 CZ PHE A 32 0.239 0.684 -0.694 1.00 0.00 C ATOM 0 H PHE A 32 3.656 -1.012 -2.620 1.00 0.00 H new ATOM 0 HA PHE A 32 3.226 -1.701 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.009 -0.500 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.089 -2.075 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.739 1.513 -3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.235 -2.264 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.035 2.512 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.470 -1.269 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.070 1.122 0.244 1.00 0.00 H new ATOM 448 N ALA A 33 3.186 0.845 -6.078 1.00 0.00 N ATOM 449 CA ALA A 33 3.607 2.184 -6.471 1.00 0.00 C ATOM 450 C ALA A 33 2.420 3.141 -6.517 1.00 0.00 C ATOM 451 O ALA A 33 1.362 2.807 -7.051 1.00 0.00 O ATOM 452 CB ALA A 33 4.307 2.143 -7.821 1.00 0.00 C ATOM 0 H ALA A 33 2.652 0.346 -6.789 1.00 0.00 H new ATOM 0 HA ALA A 33 4.308 2.552 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.616 3.150 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.184 1.499 -7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.623 1.750 -8.574 1.00 0.00 H new ATOM 458 N ILE A 34 2.603 4.330 -5.954 1.00 0.00 N ATOM 459 CA ILE A 34 1.547 5.335 -5.932 1.00 0.00 C ATOM 460 C ILE A 34 1.828 6.450 -6.933 1.00 0.00 C ATOM 461 O ILE A 34 2.682 7.305 -6.702 1.00 0.00 O ATOM 462 CB ILE A 34 1.384 5.949 -4.529 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.067 4.858 -3.504 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.293 7.009 -4.538 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.076 5.352 -2.074 1.00 0.00 C ATOM 0 H ILE A 34 3.472 4.621 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 34 0.623 4.827 -6.208 1.00 0.00 H new ATOM 0 HB ILE A 34 2.323 6.425 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.088 4.434 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.794 4.052 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.190 7.433 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.558 7.798 -5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.652 6.556 -4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.843 4.526 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.062 5.749 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.329 6.137 -1.956 1.00 0.00 H new ATOM 477 N ARG A 35 1.102 6.435 -8.046 1.00 0.00 N ATOM 478 CA ARG A 35 1.272 7.445 -9.083 1.00 0.00 C ATOM 479 C ARG A 35 0.674 8.779 -8.647 1.00 0.00 C ATOM 480 O ARG A 35 -0.435 8.829 -8.111 1.00 0.00 O ATOM 481 CB ARG A 35 0.619 6.983 -10.387 1.00 0.00 C ATOM 482 CG ARG A 35 0.177 8.127 -11.286 1.00 0.00 C ATOM 483 CD ARG A 35 0.231 7.734 -12.754 1.00 0.00 C ATOM 484 NE ARG A 35 1.585 7.388 -13.179 1.00 0.00 N ATOM 485 CZ ARG A 35 1.876 6.899 -14.379 1.00 0.00 C ATOM 486 NH1 ARG A 35 0.913 6.699 -15.268 1.00 0.00 N ATOM 487 NH2 ARG A 35 3.132 6.608 -14.691 1.00 0.00 N ATOM 0 H ARG A 35 0.390 5.734 -8.253 1.00 0.00 H new ATOM 0 HA ARG A 35 2.341 7.583 -9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.322 6.354 -10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.246 6.363 -10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.838 8.425 -11.025 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.817 8.993 -11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.431 6.885 -12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.141 8.558 -13.364 1.00 0.00 H new ATOM 0 HE ARG A 35 2.349 7.530 -12.518 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.054 6.921 -15.031 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.139 6.323 -16.189 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.875 6.760 -14.009 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.355 6.232 -15.613 1.00 0.00 H new ATOM 501 N LEU A 36 1.414 9.857 -8.878 1.00 0.00 N ATOM 502 CA LEU A 36 0.957 11.192 -8.508 1.00 0.00 C ATOM 503 C LEU A 36 0.751 12.060 -9.746 1.00 0.00 C ATOM 504 O LEU A 36 1.688 12.309 -10.504 1.00 0.00 O ATOM 505 CB LEU A 36 1.966 11.856 -7.569 1.00 0.00 C ATOM 506 CG LEU A 36 2.402 11.028 -6.359 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.644 11.630 -5.720 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.272 10.929 -5.345 1.00 0.00 C ATOM 0 H LEU A 36 2.333 9.833 -9.320 1.00 0.00 H new ATOM 0 HA LEU A 36 0.001 11.092 -7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.854 12.115 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.536 12.791 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 36 2.646 10.022 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.939 11.028 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.456 11.647 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.428 12.647 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.600 10.336 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.996 11.928 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.409 10.451 -5.808 1.00 0.00 H new ATOM 520 N ASN A 37 -0.481 12.518 -9.943 1.00 0.00 N ATOM 521 CA ASN A 37 -0.809 13.360 -11.088 1.00 0.00 C ATOM 522 C ASN A 37 -0.507 14.825 -10.790 1.00 0.00 C ATOM 523 O ASN A 37 -1.052 15.725 -11.429 1.00 0.00 O ATOM 524 CB ASN A 37 -2.284 13.197 -11.460 1.00 0.00 C ATOM 525 CG ASN A 37 -2.553 11.904 -12.204 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.612 11.882 -13.433 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.719 10.816 -11.459 1.00 0.00 N ATOM 0 H ASN A 37 -1.268 12.320 -9.325 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.192 13.044 -11.929 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.890 13.224 -10.554 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.595 14.040 -12.077 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.904 9.917 -11.904 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.662 10.880 -10.443 1.00 0.00 H new ATOM 534 N GLY A 38 0.368 15.058 -9.816 1.00 0.00 N ATOM 535 CA GLY A 38 0.728 16.416 -9.451 1.00 0.00 C ATOM 536 C GLY A 38 0.036 16.879 -8.185 1.00 0.00 C ATOM 537 O GLY A 38 -0.292 18.056 -8.044 1.00 0.00 O ATOM 0 H GLY A 38 0.834 14.331 -9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.808 16.478 -9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.471 17.089 -10.269 1.00 0.00 H new ATOM 541 N ALA A 39 -0.188 15.950 -7.261 1.00 0.00 N ATOM 542 CA ALA A 39 -0.846 16.269 -6.000 1.00 0.00 C ATOM 543 C ALA A 39 0.177 16.540 -4.901 1.00 0.00 C ATOM 544 O ALA A 39 0.931 15.650 -4.507 1.00 0.00 O ATOM 545 CB ALA A 39 -1.778 15.139 -5.590 1.00 0.00 C ATOM 0 H ALA A 39 0.077 14.970 -7.362 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.434 17.175 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.262 15.391 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.536 14.995 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.204 14.220 -5.469 1.00 0.00 H new ATOM 551 N LYS A 40 0.198 17.774 -4.410 1.00 0.00 N ATOM 552 CA LYS A 40 1.127 18.163 -3.356 1.00 0.00 C ATOM 553 C LYS A 40 0.470 18.052 -1.983 1.00 0.00 C ATOM 554 O LYS A 40 -0.692 18.416 -1.809 1.00 0.00 O ATOM 555 CB LYS A 40 1.619 19.594 -3.583 1.00 0.00 C ATOM 556 CG LYS A 40 2.688 19.706 -4.656 1.00 0.00 C ATOM 557 CD LYS A 40 3.022 21.157 -4.961 1.00 0.00 C ATOM 558 CE LYS A 40 3.955 21.746 -3.914 1.00 0.00 C ATOM 559 NZ LYS A 40 3.205 22.314 -2.760 1.00 0.00 N ATOM 0 H LYS A 40 -0.419 18.523 -4.726 1.00 0.00 H new ATOM 0 HA LYS A 40 1.979 17.483 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.771 20.221 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.014 19.987 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.588 19.185 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.346 19.212 -5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.487 21.225 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.103 21.742 -5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.637 20.973 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.566 22.525 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.508 23.296 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.186 22.295 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.397 21.748 -1.909 1.00 0.00 H new ATOM 573 N GLY A 41 1.223 17.548 -1.010 1.00 0.00 N ATOM 574 CA GLY A 41 0.697 17.400 0.334 1.00 0.00 C ATOM 575 C GLY A 41 1.358 16.267 1.094 1.00 0.00 C ATOM 576 O GLY A 41 2.556 16.023 0.942 1.00 0.00 O ATOM 0 H GLY A 41 2.188 17.240 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.839 18.332 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.377 17.221 0.283 1.00 0.00 H new ATOM 580 N LYS A 42 0.578 15.573 1.916 1.00 0.00 N ATOM 581 CA LYS A 42 1.094 14.460 2.704 1.00 0.00 C ATOM 582 C LYS A 42 0.573 13.129 2.171 1.00 0.00 C ATOM 583 O LYS A 42 -0.467 13.078 1.514 1.00 0.00 O ATOM 584 CB LYS A 42 0.700 14.623 4.173 1.00 0.00 C ATOM 585 CG LYS A 42 -0.798 14.550 4.413 1.00 0.00 C ATOM 586 CD LYS A 42 -1.117 14.284 5.875 1.00 0.00 C ATOM 587 CE LYS A 42 -2.417 13.510 6.030 1.00 0.00 C ATOM 588 NZ LYS A 42 -3.598 14.416 6.089 1.00 0.00 N ATOM 0 H LYS A 42 -0.415 15.762 2.054 1.00 0.00 H new ATOM 0 HA LYS A 42 2.181 14.463 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.192 13.848 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.071 15.581 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.263 15.486 4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.228 13.761 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.301 13.722 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.190 15.231 6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.530 12.819 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.375 12.908 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.466 13.850 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.511 15.047 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.643 14.985 5.219 1.00 0.00 H new ATOM 602 N ILE A 43 1.301 12.056 2.460 1.00 0.00 N ATOM 603 CA ILE A 43 0.910 10.725 2.012 1.00 0.00 C ATOM 604 C ILE A 43 0.968 9.720 3.157 1.00 0.00 C ATOM 605 O ILE A 43 2.040 9.431 3.689 1.00 0.00 O ATOM 606 CB ILE A 43 1.809 10.231 0.863 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.777 11.222 -0.302 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.369 8.849 0.403 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.841 10.962 -1.345 1.00 0.00 C ATOM 0 H ILE A 43 2.165 12.082 3.002 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.116 10.802 1.652 1.00 0.00 H new ATOM 0 HB ILE A 43 2.834 10.162 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.797 11.181 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.901 12.233 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.014 8.514 -0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.440 8.149 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.338 8.893 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.759 11.702 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.827 11.032 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.705 9.964 -1.762 1.00 0.00 H new ATOM 621 N ASP A 44 -0.191 9.190 3.531 1.00 0.00 N ATOM 622 CA ASP A 44 -0.272 8.214 4.612 1.00 0.00 C ATOM 623 C ASP A 44 -0.693 6.848 4.079 1.00 0.00 C ATOM 624 O ASP A 44 -1.667 6.733 3.337 1.00 0.00 O ATOM 625 CB ASP A 44 -1.260 8.685 5.680 1.00 0.00 C ATOM 626 CG ASP A 44 -1.193 7.847 6.941 1.00 0.00 C ATOM 627 OD1 ASP A 44 -0.077 7.436 7.321 1.00 0.00 O ATOM 628 OD2 ASP A 44 -2.257 7.600 7.547 1.00 0.00 O ATOM 0 H ASP A 44 -1.087 9.419 3.102 1.00 0.00 H new ATOM 0 HA ASP A 44 0.717 8.121 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.053 9.726 5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.272 8.648 5.276 1.00 0.00 H new ATOM 633 N ALA A 45 0.050 5.814 4.464 1.00 0.00 N ATOM 634 CA ALA A 45 -0.247 4.456 4.026 1.00 0.00 C ATOM 635 C ALA A 45 -0.090 3.463 5.173 1.00 0.00 C ATOM 636 O ALA A 45 1.009 3.267 5.693 1.00 0.00 O ATOM 637 CB ALA A 45 0.654 4.068 2.863 1.00 0.00 C ATOM 0 H ALA A 45 0.861 5.892 5.078 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.285 4.426 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.421 3.051 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.491 4.754 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.696 4.121 3.177 1.00 0.00 H new ATOM 643 N LYS A 46 -1.196 2.840 5.565 1.00 0.00 N ATOM 644 CA LYS A 46 -1.183 1.867 6.651 1.00 0.00 C ATOM 645 C LYS A 46 -2.034 0.650 6.301 1.00 0.00 C ATOM 646 O LYS A 46 -2.883 0.709 5.412 1.00 0.00 O ATOM 647 CB LYS A 46 -1.694 2.506 7.943 1.00 0.00 C ATOM 648 CG LYS A 46 -0.824 3.646 8.444 1.00 0.00 C ATOM 649 CD LYS A 46 -1.515 4.435 9.543 1.00 0.00 C ATOM 650 CE LYS A 46 -1.329 3.778 10.902 1.00 0.00 C ATOM 651 NZ LYS A 46 0.075 3.889 11.384 1.00 0.00 N ATOM 0 H LYS A 46 -2.114 2.992 5.146 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.154 1.539 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.706 2.877 7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.757 1.741 8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.119 3.247 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.582 4.311 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.116 5.449 9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.579 4.517 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.999 4.243 11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.609 2.727 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.100 3.749 12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.659 3.164 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.448 4.832 11.154 1.00 0.00 H new ATOM 665 N VAL A 47 -1.802 -0.451 7.008 1.00 0.00 N ATOM 666 CA VAL A 47 -2.550 -1.681 6.775 1.00 0.00 C ATOM 667 C VAL A 47 -3.462 -2.003 7.954 1.00 0.00 C ATOM 668 O VAL A 47 -3.003 -2.137 9.089 1.00 0.00 O ATOM 669 CB VAL A 47 -1.606 -2.874 6.529 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.853 -3.229 7.802 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.387 -4.072 6.010 1.00 0.00 C ATOM 0 H VAL A 47 -1.102 -0.517 7.747 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.157 -1.518 5.885 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.876 -2.589 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.191 -4.073 7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.263 -2.372 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.565 -3.496 8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.705 -4.906 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.140 -4.361 6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.877 -3.809 5.072 1.00 0.00 H new ATOM 681 N HIS A 48 -4.756 -2.126 7.678 1.00 0.00 N ATOM 682 CA HIS A 48 -5.733 -2.433 8.716 1.00 0.00 C ATOM 683 C HIS A 48 -5.951 -3.939 8.828 1.00 0.00 C ATOM 684 O HIS A 48 -5.764 -4.677 7.861 1.00 0.00 O ATOM 685 CB HIS A 48 -7.061 -1.735 8.419 1.00 0.00 C ATOM 686 CG HIS A 48 -7.064 -0.279 8.772 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.674 0.219 9.904 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.526 0.787 8.136 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.513 1.529 9.948 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.819 1.899 8.887 1.00 0.00 N ATOM 0 H HIS A 48 -5.152 -2.018 6.744 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.344 -2.068 9.666 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.290 -1.844 7.359 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.857 -2.236 8.970 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.970 0.767 7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.885 2.186 10.720 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.545 2.855 8.662 1.00 0.00 H new ATOM 698 N SER A 49 -6.346 -4.387 10.016 1.00 0.00 N ATOM 699 CA SER A 49 -6.584 -5.806 10.256 1.00 0.00 C ATOM 700 C SER A 49 -7.994 -6.037 10.791 1.00 0.00 C ATOM 701 O SER A 49 -8.567 -5.198 11.486 1.00 0.00 O ATOM 702 CB SER A 49 -5.555 -6.357 11.245 1.00 0.00 C ATOM 703 OG SER A 49 -6.049 -7.510 11.905 1.00 0.00 O ATOM 0 H SER A 49 -6.508 -3.789 10.826 1.00 0.00 H new ATOM 0 HA SER A 49 -6.483 -6.332 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.634 -6.603 10.717 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.306 -5.592 11.980 1.00 0.00 H new ATOM 0 HG SER A 49 -6.021 -7.369 12.874 1.00 0.00 H new ATOM 709 N PRO A 50 -8.568 -7.202 10.458 1.00 0.00 N ATOM 710 CA PRO A 50 -9.918 -7.572 10.894 1.00 0.00 C ATOM 711 C PRO A 50 -9.988 -7.853 12.391 1.00 0.00 C ATOM 712 O PRO A 50 -11.072 -7.993 12.956 1.00 0.00 O ATOM 713 CB PRO A 50 -10.211 -8.846 10.097 1.00 0.00 C ATOM 714 CG PRO A 50 -8.871 -9.422 9.796 1.00 0.00 C ATOM 715 CD PRO A 50 -7.944 -8.249 9.632 1.00 0.00 C ATOM 0 HA PRO A 50 -10.636 -6.770 10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.820 -9.542 10.673 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.760 -8.623 9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.536 -10.074 10.603 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.900 -10.026 8.889 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.936 -8.483 9.974 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.864 -7.943 8.589 1.00 0.00 H new ATOM 723 N SER A 51 -8.824 -7.933 13.028 1.00 0.00 N ATOM 724 CA SER A 51 -8.753 -8.200 14.460 1.00 0.00 C ATOM 725 C SER A 51 -8.912 -6.912 15.261 1.00 0.00 C ATOM 726 O SER A 51 -9.341 -6.934 16.415 1.00 0.00 O ATOM 727 CB SER A 51 -7.423 -8.870 14.810 1.00 0.00 C ATOM 728 OG SER A 51 -6.359 -7.934 14.792 1.00 0.00 O ATOM 0 H SER A 51 -7.917 -7.817 12.575 1.00 0.00 H new ATOM 0 HA SER A 51 -9.570 -8.873 14.720 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.492 -9.328 15.797 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.218 -9.671 14.100 1.00 0.00 H new ATOM 0 HG SER A 51 -5.521 -8.387 15.020 1.00 0.00 H new ATOM 734 N GLY A 52 -8.564 -5.789 14.641 1.00 0.00 N ATOM 735 CA GLY A 52 -8.675 -4.506 15.310 1.00 0.00 C ATOM 736 C GLY A 52 -7.323 -3.891 15.612 1.00 0.00 C ATOM 737 O GLY A 52 -7.178 -3.137 16.574 1.00 0.00 O ATOM 0 H GLY A 52 -8.207 -5.745 13.687 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.250 -3.823 14.685 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.230 -4.631 16.240 1.00 0.00 H new ATOM 741 N ALA A 53 -6.330 -4.214 14.790 1.00 0.00 N ATOM 742 CA ALA A 53 -4.984 -3.688 14.974 1.00 0.00 C ATOM 743 C ALA A 53 -4.584 -2.784 13.813 1.00 0.00 C ATOM 744 O ALA A 53 -4.949 -3.034 12.665 1.00 0.00 O ATOM 745 CB ALA A 53 -3.988 -4.828 15.126 1.00 0.00 C ATOM 0 H ALA A 53 -6.433 -4.838 13.990 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.976 -3.090 15.885 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.986 -4.420 15.263 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.256 -5.432 15.993 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.007 -5.450 14.231 1.00 0.00 H new ATOM 751 N VAL A 54 -3.832 -1.731 14.120 1.00 0.00 N ATOM 752 CA VAL A 54 -3.382 -0.790 13.102 1.00 0.00 C ATOM 753 C VAL A 54 -1.873 -0.873 12.905 1.00 0.00 C ATOM 754 O VAL A 54 -1.101 -0.537 13.802 1.00 0.00 O ATOM 755 CB VAL A 54 -3.762 0.657 13.468 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.263 1.625 12.407 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.267 0.783 13.651 1.00 0.00 C ATOM 0 H VAL A 54 -3.522 -1.509 15.066 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.882 -1.066 12.174 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.282 0.912 14.413 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.541 2.642 12.683 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.178 1.553 12.330 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.712 1.374 11.446 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.517 1.812 13.909 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.770 0.509 12.724 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.593 0.119 14.451 1.00 0.00 H new ATOM 767 N GLU A 55 -1.460 -1.324 11.724 1.00 0.00 N ATOM 768 CA GLU A 55 -0.042 -1.452 11.410 1.00 0.00 C ATOM 769 C GLU A 55 0.389 -0.394 10.397 1.00 0.00 C ATOM 770 O GLU A 55 -0.420 0.084 9.603 1.00 0.00 O ATOM 771 CB GLU A 55 0.258 -2.849 10.863 1.00 0.00 C ATOM 772 CG GLU A 55 0.558 -3.874 11.943 1.00 0.00 C ATOM 773 CD GLU A 55 -0.550 -3.979 12.973 1.00 0.00 C ATOM 774 OE1 GLU A 55 -0.590 -3.132 13.890 1.00 0.00 O ATOM 775 OE2 GLU A 55 -1.378 -4.907 12.860 1.00 0.00 O ATOM 0 H GLU A 55 -2.087 -1.606 10.970 1.00 0.00 H new ATOM 0 HA GLU A 55 0.522 -1.301 12.330 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.595 -3.191 10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.109 -2.789 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.712 -4.849 11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.489 -3.607 12.443 1.00 0.00 H new ATOM 782 N GLU A 56 1.668 -0.034 10.434 1.00 0.00 N ATOM 783 CA GLU A 56 2.205 0.968 9.521 1.00 0.00 C ATOM 784 C GLU A 56 3.000 0.310 8.398 1.00 0.00 C ATOM 785 O GLU A 56 3.692 -0.686 8.614 1.00 0.00 O ATOM 786 CB GLU A 56 3.094 1.956 10.279 1.00 0.00 C ATOM 787 CG GLU A 56 3.308 3.269 9.545 1.00 0.00 C ATOM 788 CD GLU A 56 4.097 4.273 10.363 1.00 0.00 C ATOM 789 OE1 GLU A 56 3.499 4.921 11.247 1.00 0.00 O ATOM 790 OE2 GLU A 56 5.314 4.411 10.118 1.00 0.00 O ATOM 0 H GLU A 56 2.351 -0.421 11.086 1.00 0.00 H new ATOM 0 HA GLU A 56 1.367 1.508 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.647 2.162 11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.062 1.492 10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.832 3.076 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.340 3.698 9.286 1.00 0.00 H new ATOM 797 N CYS A 57 2.896 0.872 7.199 1.00 0.00 N ATOM 798 CA CYS A 57 3.604 0.340 6.040 1.00 0.00 C ATOM 799 C CYS A 57 4.821 1.196 5.706 1.00 0.00 C ATOM 800 O CYS A 57 4.739 2.424 5.671 1.00 0.00 O ATOM 801 CB CYS A 57 2.668 0.269 4.833 1.00 0.00 C ATOM 802 SG CYS A 57 1.211 -0.771 5.088 1.00 0.00 S ATOM 0 H CYS A 57 2.328 1.696 7.004 1.00 0.00 H new ATOM 0 HA CYS A 57 3.946 -0.666 6.284 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.341 1.278 4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.226 -0.109 3.976 1.00 0.00 H new ATOM 0 HG CYS A 57 0.480 -0.766 4.013 1.00 0.00 H new ATOM 808 N HIS A 58 5.951 0.539 5.462 1.00 0.00 N ATOM 809 CA HIS A 58 7.187 1.241 5.132 1.00 0.00 C ATOM 810 C HIS A 58 7.001 2.116 3.896 1.00 0.00 C ATOM 811 O HIS A 58 6.970 1.619 2.770 1.00 0.00 O ATOM 812 CB HIS A 58 8.319 0.240 4.898 1.00 0.00 C ATOM 813 CG HIS A 58 9.540 0.851 4.283 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.176 1.956 4.809 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.244 0.504 3.180 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.217 2.263 4.056 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.281 1.397 3.061 1.00 0.00 N ATOM 0 H HIS A 58 6.036 -0.477 5.487 1.00 0.00 H new ATOM 0 HA HIS A 58 7.448 1.883 5.973 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.591 -0.217 5.849 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.958 -0.560 4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.030 -0.321 2.517 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.900 3.083 4.225 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.986 1.392 2.324 1.00 0.00 H new ATOM 825 N VAL A 59 6.877 3.421 4.114 1.00 0.00 N ATOM 826 CA VAL A 59 6.695 4.365 3.019 1.00 0.00 C ATOM 827 C VAL A 59 7.977 5.142 2.744 1.00 0.00 C ATOM 828 O VAL A 59 8.404 5.963 3.555 1.00 0.00 O ATOM 829 CB VAL A 59 5.558 5.361 3.319 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.465 6.411 2.222 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.236 4.627 3.480 1.00 0.00 C ATOM 0 H VAL A 59 6.899 3.849 5.040 1.00 0.00 H new ATOM 0 HA VAL A 59 6.432 3.780 2.138 1.00 0.00 H new ATOM 0 HB VAL A 59 5.781 5.869 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.657 7.106 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.406 6.957 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.265 5.924 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.444 5.346 3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.003 4.091 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.312 3.918 4.304 1.00 0.00 H new ATOM 841 N SER A 60 8.588 4.878 1.593 1.00 0.00 N ATOM 842 CA SER A 60 9.824 5.550 1.211 1.00 0.00 C ATOM 843 C SER A 60 9.610 6.423 -0.021 1.00 0.00 C ATOM 844 O SER A 60 8.989 5.998 -0.995 1.00 0.00 O ATOM 845 CB SER A 60 10.925 4.523 0.938 1.00 0.00 C ATOM 846 OG SER A 60 12.210 5.101 1.085 1.00 0.00 O ATOM 0 H SER A 60 8.247 4.203 0.909 1.00 0.00 H new ATOM 0 HA SER A 60 10.131 6.190 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.820 3.682 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.815 4.127 -0.071 1.00 0.00 H new ATOM 0 HG SER A 60 12.896 4.424 0.907 1.00 0.00 H new ATOM 852 N GLU A 61 10.129 7.646 0.030 1.00 0.00 N ATOM 853 CA GLU A 61 9.994 8.579 -1.082 1.00 0.00 C ATOM 854 C GLU A 61 11.196 8.489 -2.018 1.00 0.00 C ATOM 855 O GLU A 61 12.267 9.021 -1.724 1.00 0.00 O ATOM 856 CB GLU A 61 9.845 10.010 -0.561 1.00 0.00 C ATOM 857 CG GLU A 61 9.889 11.064 -1.655 1.00 0.00 C ATOM 858 CD GLU A 61 9.836 12.477 -1.106 1.00 0.00 C ATOM 859 OE1 GLU A 61 9.263 12.667 -0.014 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.369 13.391 -1.769 1.00 0.00 O ATOM 0 H GLU A 61 10.646 8.013 0.829 1.00 0.00 H new ATOM 0 HA GLU A 61 9.099 8.309 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.901 10.095 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.640 10.211 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.801 10.939 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.052 10.911 -2.336 1.00 0.00 H new ATOM 867 N LEU A 62 11.011 7.811 -3.145 1.00 0.00 N ATOM 868 CA LEU A 62 12.080 7.650 -4.125 1.00 0.00 C ATOM 869 C LEU A 62 11.985 8.712 -5.215 1.00 0.00 C ATOM 870 O LEU A 62 12.998 9.251 -5.660 1.00 0.00 O ATOM 871 CB LEU A 62 12.020 6.255 -4.749 1.00 0.00 C ATOM 872 CG LEU A 62 11.756 5.098 -3.785 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.568 3.797 -4.550 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.893 4.970 -2.782 1.00 0.00 C ATOM 0 H LEU A 62 10.131 7.364 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 62 13.033 7.770 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.239 6.253 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.964 6.067 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 62 10.837 5.309 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.381 2.985 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.720 3.893 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.468 3.579 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.688 4.142 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.827 4.783 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.980 5.894 -2.210 1.00 0.00 H new ATOM 886 N GLU A 63 10.760 9.009 -5.639 1.00 0.00 N ATOM 887 CA GLU A 63 10.533 10.009 -6.677 1.00 0.00 C ATOM 888 C GLU A 63 9.471 11.014 -6.240 1.00 0.00 C ATOM 889 O GLU A 63 8.560 10.700 -5.475 1.00 0.00 O ATOM 890 CB GLU A 63 10.107 9.333 -7.982 1.00 0.00 C ATOM 891 CG GLU A 63 10.734 7.965 -8.193 1.00 0.00 C ATOM 892 CD GLU A 63 12.202 8.047 -8.563 1.00 0.00 C ATOM 893 OE1 GLU A 63 12.516 8.642 -9.615 1.00 0.00 O ATOM 894 OE2 GLU A 63 13.036 7.516 -7.801 1.00 0.00 O ATOM 0 H GLU A 63 9.911 8.572 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 63 11.468 10.544 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.022 9.231 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.373 9.978 -8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.625 7.375 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.194 7.439 -8.980 1.00 0.00 H new ATOM 901 N PRO A 64 9.591 12.254 -6.739 1.00 0.00 N ATOM 902 CA PRO A 64 8.651 13.331 -6.415 1.00 0.00 C ATOM 903 C PRO A 64 7.277 13.108 -7.037 1.00 0.00 C ATOM 904 O PRO A 64 6.311 13.789 -6.692 1.00 0.00 O ATOM 905 CB PRO A 64 9.315 14.573 -7.015 1.00 0.00 C ATOM 906 CG PRO A 64 10.174 14.050 -8.113 1.00 0.00 C ATOM 907 CD PRO A 64 10.653 12.699 -7.657 1.00 0.00 C ATOM 0 HA PRO A 64 8.468 13.404 -5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.572 15.275 -7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.906 15.105 -6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.612 13.971 -9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.014 14.718 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.775 12.012 -8.494 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.618 12.763 -7.154 1.00 0.00 H new ATOM 915 N ASP A 65 7.196 12.150 -7.954 1.00 0.00 N ATOM 916 CA ASP A 65 5.939 11.836 -8.623 1.00 0.00 C ATOM 917 C ASP A 65 5.549 10.380 -8.391 1.00 0.00 C ATOM 918 O ASP A 65 4.485 9.934 -8.822 1.00 0.00 O ATOM 919 CB ASP A 65 6.052 12.115 -10.123 1.00 0.00 C ATOM 920 CG ASP A 65 6.737 13.435 -10.417 1.00 0.00 C ATOM 921 OD1 ASP A 65 6.229 14.481 -9.962 1.00 0.00 O ATOM 922 OD2 ASP A 65 7.781 13.422 -11.101 1.00 0.00 O ATOM 0 H ASP A 65 7.986 11.577 -8.251 1.00 0.00 H new ATOM 0 HA ASP A 65 5.162 12.473 -8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.608 11.307 -10.599 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.055 12.120 -10.565 1.00 0.00 H new ATOM 927 N LYS A 66 6.418 9.642 -7.708 1.00 0.00 N ATOM 928 CA LYS A 66 6.165 8.235 -7.418 1.00 0.00 C ATOM 929 C LYS A 66 6.576 7.892 -5.990 1.00 0.00 C ATOM 930 O LYS A 66 7.527 8.461 -5.454 1.00 0.00 O ATOM 931 CB LYS A 66 6.924 7.345 -8.406 1.00 0.00 C ATOM 932 CG LYS A 66 6.344 5.948 -8.534 1.00 0.00 C ATOM 933 CD LYS A 66 7.028 5.159 -9.638 1.00 0.00 C ATOM 934 CE LYS A 66 6.714 3.674 -9.540 1.00 0.00 C ATOM 935 NZ LYS A 66 7.716 2.846 -10.266 1.00 0.00 N ATOM 0 H LYS A 66 7.304 9.995 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 66 5.095 8.054 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.923 7.821 -9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.964 7.270 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.453 5.420 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.276 6.014 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.707 5.536 -10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.106 5.308 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.688 3.377 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.722 3.485 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.467 1.840 -10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.723 3.112 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.659 3.007 -9.859 1.00 0.00 H new ATOM 949 N TYR A 67 5.855 6.958 -5.380 1.00 0.00 N ATOM 950 CA TYR A 67 6.144 6.540 -4.014 1.00 0.00 C ATOM 951 C TYR A 67 6.087 5.021 -3.885 1.00 0.00 C ATOM 952 O TYR A 67 5.390 4.348 -4.644 1.00 0.00 O ATOM 953 CB TYR A 67 5.153 7.183 -3.041 1.00 0.00 C ATOM 954 CG TYR A 67 5.473 8.624 -2.716 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.426 9.605 -3.698 1.00 0.00 C ATOM 956 CD2 TYR A 67 5.823 9.005 -1.426 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.718 10.924 -3.406 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.115 10.321 -1.124 1.00 0.00 C ATOM 959 CZ TYR A 67 6.062 11.276 -2.117 1.00 0.00 C ATOM 960 OH TYR A 67 6.353 12.588 -1.821 1.00 0.00 O ATOM 0 H TYR A 67 5.066 6.476 -5.810 1.00 0.00 H new ATOM 0 HA TYR A 67 7.153 6.870 -3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.151 7.129 -3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.138 6.606 -2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.157 9.332 -4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.867 8.259 -0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.677 11.674 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.383 10.600 -0.116 1.00 0.00 H new ATOM 0 HH TYR A 67 6.575 12.667 -0.870 1.00 0.00 H new ATOM 970 N ALA A 68 6.825 4.488 -2.917 1.00 0.00 N ATOM 971 CA ALA A 68 6.858 3.049 -2.686 1.00 0.00 C ATOM 972 C ALA A 68 6.392 2.709 -1.275 1.00 0.00 C ATOM 973 O ALA A 68 6.833 3.319 -0.301 1.00 0.00 O ATOM 974 CB ALA A 68 8.260 2.507 -2.926 1.00 0.00 C ATOM 0 H ALA A 68 7.408 5.031 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 68 6.173 2.577 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.269 1.431 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.557 2.709 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.959 2.992 -2.245 1.00 0.00 H new ATOM 980 N VAL A 69 5.497 1.732 -1.171 1.00 0.00 N ATOM 981 CA VAL A 69 4.971 1.310 0.122 1.00 0.00 C ATOM 982 C VAL A 69 5.107 -0.197 0.306 1.00 0.00 C ATOM 983 O VAL A 69 4.403 -0.977 -0.337 1.00 0.00 O ATOM 984 CB VAL A 69 3.491 1.705 0.282 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.932 1.164 1.589 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.332 3.216 0.209 1.00 0.00 C ATOM 0 H VAL A 69 5.121 1.217 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 69 5.560 1.820 0.885 1.00 0.00 H new ATOM 0 HB VAL A 69 2.924 1.263 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.885 1.453 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.010 0.077 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.499 1.574 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.280 3.477 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.911 3.682 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.691 3.573 -0.756 1.00 0.00 H new ATOM 996 N ARG A 70 6.015 -0.601 1.187 1.00 0.00 N ATOM 997 CA ARG A 70 6.244 -2.016 1.455 1.00 0.00 C ATOM 998 C ARG A 70 5.421 -2.482 2.653 1.00 0.00 C ATOM 999 O ARG A 70 5.369 -1.810 3.683 1.00 0.00 O ATOM 1000 CB ARG A 70 7.729 -2.274 1.712 1.00 0.00 C ATOM 1001 CG ARG A 70 8.140 -3.723 1.506 1.00 0.00 C ATOM 1002 CD ARG A 70 9.304 -4.106 2.406 1.00 0.00 C ATOM 1003 NE ARG A 70 8.996 -3.898 3.818 1.00 0.00 N ATOM 1004 CZ ARG A 70 9.787 -4.294 4.809 1.00 0.00 C ATOM 1005 NH1 ARG A 70 10.928 -4.914 4.543 1.00 0.00 N ATOM 1006 NH2 ARG A 70 9.438 -4.068 6.069 1.00 0.00 N ATOM 0 H ARG A 70 6.605 0.031 1.728 1.00 0.00 H new ATOM 0 HA ARG A 70 5.930 -2.582 0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.319 -1.640 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.969 -1.979 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.291 -4.375 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.418 -3.879 0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.560 -5.153 2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.180 -3.517 2.136 1.00 0.00 H new ATOM 0 HE ARG A 70 8.126 -3.423 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.200 -5.088 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.534 -5.217 5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.562 -3.590 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.046 -4.373 6.829 1.00 0.00 H new ATOM 1020 N PHE A 71 4.778 -3.636 2.509 1.00 0.00 N ATOM 1021 CA PHE A 71 3.956 -4.192 3.578 1.00 0.00 C ATOM 1022 C PHE A 71 3.747 -5.690 3.380 1.00 0.00 C ATOM 1023 O PHE A 71 3.640 -6.169 2.251 1.00 0.00 O ATOM 1024 CB PHE A 71 2.603 -3.479 3.632 1.00 0.00 C ATOM 1025 CG PHE A 71 1.570 -4.086 2.726 1.00 0.00 C ATOM 1026 CD1 PHE A 71 0.741 -5.099 3.179 1.00 0.00 C ATOM 1027 CD2 PHE A 71 1.427 -3.642 1.421 1.00 0.00 C ATOM 1028 CE1 PHE A 71 -0.210 -5.659 2.347 1.00 0.00 C ATOM 1029 CE2 PHE A 71 0.478 -4.198 0.584 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.343 -5.207 1.049 1.00 0.00 C ATOM 0 H PHE A 71 4.810 -4.204 1.663 1.00 0.00 H new ATOM 0 HA PHE A 71 4.478 -4.038 4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.232 -3.497 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.742 -2.432 3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.839 -5.455 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.065 -2.852 1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.849 -6.450 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.379 -3.844 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.088 -5.642 0.398 1.00 0.00 H new ATOM 1040 N ILE A 72 3.692 -6.424 4.486 1.00 0.00 N ATOM 1041 CA ILE A 72 3.496 -7.868 4.435 1.00 0.00 C ATOM 1042 C ILE A 72 2.025 -8.230 4.614 1.00 0.00 C ATOM 1043 O ILE A 72 1.478 -8.180 5.716 1.00 0.00 O ATOM 1044 CB ILE A 72 4.325 -8.587 5.516 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.809 -8.252 5.358 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.104 -10.091 5.439 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.615 -8.463 6.621 1.00 0.00 C ATOM 0 H ILE A 72 3.780 -6.043 5.428 1.00 0.00 H new ATOM 0 HA ILE A 72 3.832 -8.198 3.452 1.00 0.00 H new ATOM 0 HB ILE A 72 3.996 -8.241 6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.229 -8.867 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.907 -7.213 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.696 -10.586 6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.048 -10.312 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.409 -10.454 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.658 -8.206 6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.221 -7.828 7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.548 -9.508 6.925 1.00 0.00 H new ATOM 1059 N PRO A 73 1.369 -8.605 3.506 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.047 -8.985 3.515 1.00 0.00 C ATOM 1061 C PRO A 73 -0.286 -10.313 4.225 1.00 0.00 C ATOM 1062 O PRO A 73 -0.384 -11.361 3.585 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.391 -9.103 2.028 1.00 0.00 C ATOM 1064 CG PRO A 73 0.906 -9.405 1.361 1.00 0.00 C ATOM 1065 CD PRO A 73 1.959 -8.687 2.160 1.00 0.00 C ATOM 0 HA PRO A 73 -0.660 -8.262 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.120 -9.894 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.826 -8.179 1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.095 -10.478 1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.901 -9.064 0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.901 -9.235 2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.168 -7.698 1.752 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.379 -10.263 5.550 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.608 -11.463 6.346 1.00 0.00 C ATOM 1075 C HIS A 74 -1.853 -11.310 7.214 1.00 0.00 C ATOM 1076 O HIS A 74 -1.835 -10.606 8.222 1.00 0.00 O ATOM 1077 CB HIS A 74 0.608 -11.757 7.226 1.00 0.00 C ATOM 1078 CG HIS A 74 1.222 -10.531 7.827 1.00 0.00 C ATOM 1079 ND1 HIS A 74 0.697 -9.308 8.075 1.00 0.00 N flip ATOM 1080 CD2 HIS A 74 2.534 -10.475 8.249 1.00 0.00 C flip ATOM 1081 CE1 HIS A 74 1.690 -8.545 8.638 1.00 0.00 C flip ATOM 1082 NE2 HIS A 74 2.788 -9.272 8.732 1.00 0.00 N flip ATOM 0 H HIS A 74 -0.299 -9.404 6.095 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.763 -12.298 5.663 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.312 -12.435 8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.360 -12.276 6.631 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.243 -11.288 8.193 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.589 -7.517 8.953 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.681 -8.958 9.113 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.933 -11.974 6.813 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.187 -11.909 7.554 1.00 0.00 C ATOM 1092 C GLU A 75 -4.923 -13.245 7.496 1.00 0.00 C ATOM 1093 O GLU A 75 -4.483 -14.180 6.828 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.079 -10.799 6.995 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.650 -9.403 7.417 1.00 0.00 C ATOM 1096 CD GLU A 75 -4.554 -9.252 8.922 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -5.279 -9.976 9.638 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -3.756 -8.411 9.385 1.00 0.00 O ATOM 0 H GLU A 75 -2.964 -12.562 5.980 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.953 -11.687 8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.078 -10.857 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.105 -10.969 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.683 -9.174 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.362 -8.675 7.027 1.00 0.00 H new ATOM 1105 N ASN A 76 -6.046 -13.326 8.202 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.843 -14.547 8.233 1.00 0.00 C ATOM 1107 C ASN A 76 -8.098 -14.400 7.378 1.00 0.00 C ATOM 1108 O ASN A 76 -9.128 -15.011 7.657 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.231 -14.892 9.672 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.418 -13.657 10.532 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -6.524 -13.271 11.286 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.584 -13.032 10.423 1.00 0.00 N ATOM 0 H ASN A 76 -6.425 -12.561 8.760 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.238 -15.356 7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.154 -15.472 9.668 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.460 -15.524 10.112 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.768 -12.196 10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.296 -13.388 9.785 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.003 -13.583 6.333 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.136 -13.369 5.452 1.00 0.00 C ATOM 1121 C GLY A 77 -8.888 -12.265 4.444 1.00 0.00 C ATOM 1122 O GLY A 77 -8.116 -12.437 3.501 1.00 0.00 O ATOM 0 H GLY A 77 -7.161 -13.065 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.361 -14.295 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.014 -13.121 6.048 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.544 -11.126 4.643 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.391 -9.989 3.743 1.00 0.00 C ATOM 1128 C VAL A 78 -8.672 -8.835 4.434 1.00 0.00 C ATOM 1129 O VAL A 78 -8.844 -8.610 5.632 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.755 -9.494 3.227 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.597 -8.183 2.472 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.407 -10.550 2.347 1.00 0.00 C ATOM 0 H VAL A 78 -10.186 -10.966 5.419 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.794 -10.332 2.898 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.405 -9.316 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.571 -7.849 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.176 -7.429 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.930 -8.331 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.370 -10.183 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.762 -10.762 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.557 -11.462 2.924 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.867 -8.105 3.669 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.121 -6.972 4.207 1.00 0.00 C ATOM 1144 C HIS A 79 -7.750 -5.652 3.770 1.00 0.00 C ATOM 1145 O HIS A 79 -8.522 -5.606 2.812 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.663 -7.031 3.752 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.075 -8.408 3.804 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.858 -8.684 4.392 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.543 -9.589 3.340 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.604 -9.976 4.285 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.611 -10.548 3.651 1.00 0.00 N ATOM 0 H HIS A 79 -7.714 -8.277 2.675 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.156 -7.029 5.295 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.594 -6.653 2.732 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.068 -6.367 4.379 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.250 -7.998 4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.477 -9.748 2.821 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.722 -10.479 4.654 1.00 0.00 H new ATOM 1159 N THR A 80 -7.414 -4.579 4.480 1.00 0.00 N ATOM 1160 CA THR A 80 -7.947 -3.259 4.168 1.00 0.00 C ATOM 1161 C THR A 80 -6.848 -2.202 4.196 1.00 0.00 C ATOM 1162 O THR A 80 -6.342 -1.848 5.261 1.00 0.00 O ATOM 1163 CB THR A 80 -9.058 -2.853 5.154 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.019 -3.909 5.270 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.751 -1.579 4.695 1.00 0.00 C ATOM 0 H THR A 80 -6.775 -4.599 5.275 1.00 0.00 H new ATOM 0 HA THR A 80 -8.367 -3.318 3.164 1.00 0.00 H new ATOM 0 HB THR A 80 -8.601 -2.669 6.126 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.722 -3.644 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.532 -1.312 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.023 -0.770 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.196 -1.740 3.713 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.485 -1.702 3.019 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.447 -0.685 2.910 1.00 0.00 C ATOM 1175 C ILE A 81 -5.993 0.696 3.256 1.00 0.00 C ATOM 1176 O ILE A 81 -7.128 1.030 2.916 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.844 -0.646 1.494 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.322 -2.029 1.100 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.729 0.387 1.421 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -4.294 -2.261 -0.395 1.00 0.00 C ATOM 0 H ILE A 81 -6.894 -1.985 2.129 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.666 -0.953 3.621 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.625 -0.359 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.315 -2.155 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.947 -2.791 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.313 0.403 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.129 1.372 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.946 0.128 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.913 -3.261 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.303 -2.167 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.646 -1.522 -0.866 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.177 1.496 3.933 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.576 2.844 4.324 1.00 0.00 C ATOM 1194 C ASP A 82 -4.688 3.889 3.656 1.00 0.00 C ATOM 1195 O ASP A 82 -3.499 3.991 3.956 1.00 0.00 O ATOM 1196 CB ASP A 82 -5.512 2.998 5.844 1.00 0.00 C ATOM 1197 CG ASP A 82 -5.249 4.429 6.270 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -6.074 5.306 5.941 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -4.218 4.671 6.932 1.00 0.00 O ATOM 0 H ASP A 82 -4.235 1.235 4.223 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.603 3.002 3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.451 2.659 6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.726 2.354 6.239 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.274 4.662 2.747 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.536 5.700 2.036 1.00 0.00 C ATOM 1206 C VAL A 83 -5.172 7.069 2.247 1.00 0.00 C ATOM 1207 O VAL A 83 -6.244 7.357 1.715 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.468 5.405 0.526 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.733 6.520 -0.203 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.799 4.062 0.275 1.00 0.00 C ATOM 0 H VAL A 83 -6.257 4.589 2.486 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.525 5.706 2.444 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.485 5.357 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.695 6.294 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.258 7.463 -0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.719 6.603 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.760 3.870 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.786 4.079 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.371 3.274 0.764 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.504 7.911 3.028 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.001 9.253 3.310 1.00 0.00 C ATOM 1222 C LYS A 84 -4.103 10.310 2.675 1.00 0.00 C ATOM 1223 O LYS A 84 -2.889 10.312 2.879 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.086 9.481 4.821 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.349 8.919 5.450 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.138 8.582 6.917 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.366 7.914 7.517 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.068 7.289 8.836 1.00 0.00 N ATOM 0 H LYS A 84 -3.616 7.688 3.478 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.998 9.342 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.218 9.025 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.035 10.551 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.158 9.644 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.658 8.024 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.277 7.922 7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.910 9.492 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.159 8.652 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.738 7.154 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.930 6.844 9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.329 6.567 8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.737 8.019 9.499 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.709 11.209 1.906 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.964 12.272 1.242 1.00 0.00 C ATOM 1244 C PHE A 85 -4.495 13.644 1.648 1.00 0.00 C ATOM 1245 O PHE A 85 -5.588 14.041 1.246 1.00 0.00 O ATOM 1246 CB PHE A 85 -4.046 12.110 -0.278 1.00 0.00 C ATOM 1247 CG PHE A 85 -3.156 13.057 -1.031 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.804 12.792 -1.173 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.672 14.211 -1.597 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.982 13.662 -1.865 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.856 15.085 -2.291 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.509 14.809 -2.426 1.00 0.00 C ATOM 0 H PHE A 85 -5.713 11.222 1.728 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.922 12.199 1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.779 11.086 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.077 12.262 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.387 11.896 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.724 14.431 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.071 13.445 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.271 15.982 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.869 15.489 -2.969 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.713 14.362 2.447 1.00 0.00 N ATOM 1263 CA ASN A 86 -4.105 15.689 2.909 1.00 0.00 C ATOM 1264 C ASN A 86 -5.390 15.622 3.728 1.00 0.00 C ATOM 1265 O ASN A 86 -6.197 16.551 3.715 1.00 0.00 O ATOM 1266 CB ASN A 86 -4.295 16.631 1.718 1.00 0.00 C ATOM 1267 CG ASN A 86 -3.000 17.299 1.298 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -2.645 17.305 0.119 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -2.287 17.867 2.264 1.00 0.00 N ATOM 0 H ASN A 86 -2.805 14.048 2.788 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.309 16.075 3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.701 16.071 0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.028 17.395 1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.407 18.332 2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.620 17.838 3.228 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.574 14.516 4.443 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.762 14.348 5.259 1.00 0.00 C ATOM 1278 C GLY A 87 -7.986 14.000 4.435 1.00 0.00 C ATOM 1279 O GLY A 87 -9.074 14.523 4.678 1.00 0.00 O ATOM 0 H GLY A 87 -4.921 13.733 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.587 13.562 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.951 15.267 5.814 1.00 0.00 H new ATOM 1283 N SER A 88 -7.809 13.117 3.458 1.00 0.00 N ATOM 1284 CA SER A 88 -8.908 12.705 2.592 1.00 0.00 C ATOM 1285 C SER A 88 -8.617 11.350 1.954 1.00 0.00 C ATOM 1286 O SER A 88 -7.624 11.184 1.246 1.00 0.00 O ATOM 1287 CB SER A 88 -9.148 13.752 1.503 1.00 0.00 C ATOM 1288 OG SER A 88 -10.493 13.727 1.059 1.00 0.00 O ATOM 0 H SER A 88 -6.916 12.673 3.246 1.00 0.00 H new ATOM 0 HA SER A 88 -9.806 12.615 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.907 14.743 1.888 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.481 13.566 0.662 1.00 0.00 H new ATOM 0 HG SER A 88 -10.621 14.406 0.364 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.492 10.382 2.212 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.331 9.040 1.663 1.00 0.00 C ATOM 1296 C HIS A 89 -9.441 9.059 0.141 1.00 0.00 C ATOM 1297 O HIS A 89 -10.515 9.295 -0.411 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.381 8.097 2.250 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.124 7.730 3.679 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.610 6.509 4.062 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -10.311 8.432 4.821 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.494 6.475 5.378 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.912 7.630 5.862 1.00 0.00 N ATOM 0 H HIS A 89 -10.319 10.502 2.797 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.338 8.680 1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.362 8.567 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.416 7.187 1.650 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.359 5.750 3.428 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.701 9.436 4.899 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.121 5.644 5.958 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.322 8.808 -0.531 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.293 8.796 -1.989 1.00 0.00 C ATOM 1313 C VAL A 90 -9.345 7.847 -2.552 1.00 0.00 C ATOM 1314 O VAL A 90 -9.594 6.778 -1.995 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.907 8.380 -2.519 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.903 9.507 -2.330 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.432 7.110 -1.829 1.00 0.00 C ATOM 0 H VAL A 90 -7.424 8.610 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.511 9.812 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.991 8.176 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.930 9.195 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.239 10.389 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.819 9.745 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.452 6.831 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.363 7.283 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.141 6.305 -2.021 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.961 8.246 -3.660 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.987 7.431 -4.300 1.00 0.00 C ATOM 1329 C VAL A 91 -10.623 5.951 -4.251 1.00 0.00 C ATOM 1330 O VAL A 91 -9.493 5.569 -4.554 1.00 0.00 O ATOM 1331 CB VAL A 91 -11.200 7.848 -5.768 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -9.896 7.752 -6.545 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -12.279 6.991 -6.413 1.00 0.00 C ATOM 0 H VAL A 91 -9.768 9.129 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.912 7.593 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.531 8.886 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.066 8.050 -7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.155 8.412 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.532 6.725 -6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.417 7.299 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.979 5.944 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.216 7.116 -5.870 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.589 5.122 -3.868 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.351 3.693 -3.786 1.00 0.00 C ATOM 1345 C GLY A 92 -10.964 3.248 -2.390 1.00 0.00 C ATOM 1346 O GLY A 92 -11.079 2.070 -2.052 1.00 0.00 O ATOM 0 H GLY A 92 -12.532 5.415 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.249 3.160 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.559 3.419 -4.484 1.00 0.00 H new ATOM 1350 N SER A 93 -10.503 4.193 -1.576 1.00 0.00 N ATOM 1351 CA SER A 93 -10.092 3.891 -0.210 1.00 0.00 C ATOM 1352 C SER A 93 -11.263 4.044 0.756 1.00 0.00 C ATOM 1353 O SER A 93 -12.101 4.937 0.620 1.00 0.00 O ATOM 1354 CB SER A 93 -8.943 4.808 0.214 1.00 0.00 C ATOM 1355 OG SER A 93 -8.095 4.164 1.148 1.00 0.00 O ATOM 0 H SER A 93 -10.405 5.174 -1.839 1.00 0.00 H new ATOM 0 HA SER A 93 -9.751 2.856 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.366 5.103 -0.663 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.345 5.721 0.653 1.00 0.00 H new ATOM 0 HG SER A 93 -7.187 4.109 0.782 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.325 3.153 1.756 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.334 2.086 1.928 1.00 0.00 C ATOM 1363 C PRO A 94 -10.435 1.021 0.842 1.00 0.00 C ATOM 1364 O PRO A 94 -11.508 0.788 0.285 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.686 1.492 3.294 1.00 0.00 C ATOM 1366 CG PRO A 94 -12.132 1.799 3.480 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.367 3.118 2.796 1.00 0.00 C ATOM 0 HA PRO A 94 -9.313 2.463 1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.503 0.418 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.082 1.935 4.086 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.756 1.018 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.385 1.858 4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.367 3.175 2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.271 3.953 3.490 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.312 0.376 0.545 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.274 -0.665 -0.475 1.00 0.00 C ATOM 1377 C PHE A 95 -9.447 -2.046 0.150 1.00 0.00 C ATOM 1378 O PHE A 95 -9.257 -2.223 1.353 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.955 -0.604 -1.248 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.885 0.534 -2.225 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.380 0.392 -3.512 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.324 1.747 -1.858 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.316 1.437 -4.413 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.257 2.796 -2.756 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.755 2.641 -4.035 1.00 0.00 C ATOM 0 H PHE A 95 -8.415 0.556 0.997 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.100 -0.492 -1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.132 -0.515 -0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.814 -1.542 -1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.821 -0.547 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.935 1.874 -0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.705 1.313 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.816 3.736 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.706 3.460 -4.738 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.809 -3.021 -0.676 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.007 -4.388 -0.207 1.00 0.00 C ATOM 1397 C LYS A 96 -9.224 -5.377 -1.065 1.00 0.00 C ATOM 1398 O LYS A 96 -9.368 -5.403 -2.287 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.495 -4.745 -0.228 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.327 -3.940 0.756 1.00 0.00 C ATOM 1401 CD LYS A 96 -13.707 -4.549 0.948 1.00 0.00 C ATOM 1402 CE LYS A 96 -13.656 -5.770 1.853 1.00 0.00 C ATOM 1403 NZ LYS A 96 -15.019 -6.250 2.213 1.00 0.00 N ATOM 0 H LYS A 96 -9.972 -2.890 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.638 -4.451 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.884 -4.587 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.609 -5.806 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.812 -3.893 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.427 -2.916 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.378 -3.805 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.120 -4.830 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.109 -6.570 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.105 -5.526 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.942 -7.083 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.532 -5.496 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.536 -6.507 1.348 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.397 -6.190 -0.416 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.593 -7.183 -1.119 1.00 0.00 C ATOM 1419 C VAL A 97 -7.640 -8.531 -0.409 1.00 0.00 C ATOM 1420 O VAL A 97 -7.745 -8.595 0.816 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.126 -6.731 -1.244 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.013 -5.535 -2.177 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.551 -6.405 0.126 1.00 0.00 C ATOM 0 H VAL A 97 -8.266 -6.181 0.596 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.019 -7.287 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.547 -7.550 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.969 -5.230 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.384 -5.808 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.605 -4.709 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.514 -6.087 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.131 -5.603 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.596 -7.291 0.760 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.561 -9.606 -1.187 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.595 -10.954 -0.632 1.00 0.00 C ATOM 1435 C ARG A 98 -6.258 -11.660 -0.837 1.00 0.00 C ATOM 1436 O ARG A 98 -5.747 -11.732 -1.954 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.718 -11.767 -1.280 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.145 -12.975 -0.462 1.00 0.00 C ATOM 1439 CD ARG A 98 -9.828 -14.021 -1.329 1.00 0.00 C ATOM 1440 NE ARG A 98 -8.870 -14.950 -1.922 1.00 0.00 N ATOM 1441 CZ ARG A 98 -9.219 -15.972 -2.696 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -10.497 -16.193 -2.970 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -8.289 -16.774 -3.199 1.00 0.00 N ATOM 0 H ARG A 98 -7.473 -9.570 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.784 -10.875 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.581 -11.120 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.391 -12.102 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.273 -13.415 0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.823 -12.658 0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.547 -14.577 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.390 -13.525 -2.121 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.878 -14.806 -1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.215 -15.578 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.763 -16.978 -3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.304 -16.606 -2.992 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.559 -17.558 -3.793 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.697 -12.179 0.250 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.419 -12.880 0.191 1.00 0.00 C ATOM 1459 C VAL A 99 -4.582 -14.267 -0.420 1.00 0.00 C ATOM 1460 O VAL A 99 -5.445 -15.041 -0.008 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.789 -13.018 1.589 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.556 -14.032 2.424 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.323 -13.408 1.476 1.00 0.00 C ATOM 0 H VAL A 99 -6.107 -12.128 1.183 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.759 -12.283 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.847 -12.052 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.096 -14.115 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.590 -13.705 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.533 -15.003 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.893 -13.501 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.239 -14.361 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.784 -12.641 0.919 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.745 -14.576 -1.407 1.00 0.00 N ATOM 1474 CA GLY A 100 -3.812 -15.870 -2.059 1.00 0.00 C ATOM 1475 C GLY A 100 -3.243 -15.842 -3.463 1.00 0.00 C ATOM 1476 O GLY A 100 -3.331 -14.828 -4.155 1.00 0.00 O ATOM 0 H GLY A 100 -3.022 -13.952 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.266 -16.602 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.850 -16.201 -2.098 1.00 0.00 H new ATOM 1480 N GLU A 101 -2.656 -16.958 -3.885 1.00 0.00 N ATOM 1481 CA GLU A 101 -2.068 -17.055 -5.216 1.00 0.00 C ATOM 1482 C GLU A 101 -3.022 -17.750 -6.183 1.00 0.00 C ATOM 1483 O GLU A 101 -3.686 -18.730 -5.842 1.00 0.00 O ATOM 1484 CB GLU A 101 -0.741 -17.813 -5.158 1.00 0.00 C ATOM 1485 CG GLU A 101 -0.883 -19.253 -4.693 1.00 0.00 C ATOM 1486 CD GLU A 101 0.446 -19.877 -4.312 1.00 0.00 C ATOM 1487 OE1 GLU A 101 1.096 -19.365 -3.377 1.00 0.00 O ATOM 1488 OE2 GLU A 101 0.835 -20.878 -4.949 1.00 0.00 O ATOM 0 H GLU A 101 -2.575 -17.807 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.884 -16.044 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.283 -17.803 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.061 -17.288 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.556 -19.290 -3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.343 -19.843 -5.486 1.00 0.00 H new ATOM 1495 N PRO A 102 -3.093 -17.233 -7.418 1.00 0.00 N ATOM 1496 CA PRO A 102 -3.962 -17.788 -8.460 1.00 0.00 C ATOM 1497 C PRO A 102 -3.481 -19.149 -8.952 1.00 0.00 C ATOM 1498 O PRO A 102 -4.250 -20.108 -9.005 1.00 0.00 O ATOM 1499 CB PRO A 102 -3.875 -16.753 -9.584 1.00 0.00 C ATOM 1500 CG PRO A 102 -2.560 -16.082 -9.380 1.00 0.00 C ATOM 1501 CD PRO A 102 -2.330 -16.067 -7.894 1.00 0.00 C ATOM 0 HA PRO A 102 -4.975 -17.959 -8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.930 -17.227 -10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.697 -16.039 -9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.763 -16.621 -9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.572 -15.070 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.271 -16.153 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.687 -15.142 -7.442 1.00 0.00 H new ATOM 1509 N GLY A 103 -2.203 -19.227 -9.310 1.00 0.00 N ATOM 1510 CA GLY A 103 -1.642 -20.475 -9.792 1.00 0.00 C ATOM 1511 C GLY A 103 -0.327 -20.818 -9.121 1.00 0.00 C ATOM 1512 O GLY A 103 -0.030 -20.320 -8.035 1.00 0.00 O ATOM 0 H GLY A 103 -1.546 -18.448 -9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.355 -21.281 -9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.490 -20.409 -10.869 1.00 0.00 H new ATOM 1516 N GLN A 104 0.461 -21.671 -9.767 1.00 0.00 N ATOM 1517 CA GLN A 104 1.750 -22.081 -9.223 1.00 0.00 C ATOM 1518 C GLN A 104 2.889 -21.660 -10.146 1.00 0.00 C ATOM 1519 O GLN A 104 2.925 -22.040 -11.316 1.00 0.00 O ATOM 1520 CB GLN A 104 1.781 -23.596 -9.014 1.00 0.00 C ATOM 1521 CG GLN A 104 0.876 -24.073 -7.889 1.00 0.00 C ATOM 1522 CD GLN A 104 0.657 -25.573 -7.914 1.00 0.00 C ATOM 1523 OE1 GLN A 104 0.470 -26.168 -8.976 1.00 0.00 O ATOM 1524 NE2 GLN A 104 0.679 -26.194 -6.740 1.00 0.00 N ATOM 0 H GLN A 104 0.230 -22.091 -10.667 1.00 0.00 H new ATOM 0 HA GLN A 104 1.884 -21.586 -8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.486 -24.088 -9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 104 2.805 -23.904 -8.801 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.312 -23.789 -6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.087 -23.568 -7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.837 -25.662 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.538 -27.203 -6.694 1.00 0.00 H new ATOM 1533 N ALA A 105 3.817 -20.872 -9.611 1.00 0.00 N ATOM 1534 CA ALA A 105 4.958 -20.401 -10.387 1.00 0.00 C ATOM 1535 C ALA A 105 6.273 -20.788 -9.719 1.00 0.00 C ATOM 1536 O ALA A 105 6.287 -21.277 -8.590 1.00 0.00 O ATOM 1537 CB ALA A 105 4.882 -18.893 -10.573 1.00 0.00 C ATOM 0 H ALA A 105 3.801 -20.547 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 105 4.924 -20.879 -11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.740 -18.554 -11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.963 -18.637 -11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.889 -18.405 -9.598 1.00 0.00 H new ATOM 1543 N GLY A 106 7.377 -20.567 -10.425 1.00 0.00 N ATOM 1544 CA GLY A 106 8.683 -20.900 -9.884 1.00 0.00 C ATOM 1545 C GLY A 106 9.576 -21.579 -10.903 1.00 0.00 C ATOM 1546 O GLY A 106 10.159 -20.921 -11.764 1.00 0.00 O ATOM 0 H GLY A 106 7.391 -20.163 -11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.168 -19.991 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.559 -21.554 -9.021 1.00 0.00 H new TER 1550 GLY A 106