USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 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 89 HIS : no HE2:sc= -1.26 X(o=-2.4,f=-2.6!) USER MOD Set 1.2: A 93 SER OG : rot 64:sc= -1.1 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc=-0.00304 X(o=-0.003,f=0) USER MOD Set 3.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 8 SER OG : rot -110:sc= -0.448 USER MOD Single : A 1 GLY N :NH3+ 129:sc= 0.0443 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.193 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -157:sc= -0.163 (180deg=-0.752) USER MOD Single : A 18 SER OG : rot -50:sc= 0.853 USER MOD Single : A 20 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= -1.68 (180deg=-4.16!) USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.001) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.138 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 58 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.021) 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 -155:sc= 0.397 USER MOD Single : A 74 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-4.7!) USER MOD Single : A 76 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.21) USER MOD Single : A 79 HIS : no HE2:sc= -7.43! C(o=-7.4!,f=-10!) 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= -2.57! C(o=-2.6!,f=-2.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.426 26.412 0.678 1.00 0.00 N ATOM 2 CA GLY A 1 6.311 26.925 1.453 1.00 0.00 C ATOM 3 C GLY A 1 4.997 26.265 1.087 1.00 0.00 C ATOM 4 O GLY A 1 4.831 25.777 -0.031 1.00 0.00 O ATOM 0 H1 GLY A 1 7.954 27.206 0.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.056 25.864 1.298 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.068 25.798 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.508 26.770 2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.229 28.001 1.298 1.00 0.00 H new ATOM 8 N SER A 2 4.061 26.248 2.030 1.00 0.00 N ATOM 9 CA SER A 2 2.757 25.638 1.803 1.00 0.00 C ATOM 10 C SER A 2 1.742 26.125 2.832 1.00 0.00 C ATOM 11 O SER A 2 1.971 26.031 4.038 1.00 0.00 O ATOM 12 CB SER A 2 2.867 24.113 1.860 1.00 0.00 C ATOM 13 OG SER A 2 3.416 23.687 3.095 1.00 0.00 O ATOM 0 H SER A 2 4.182 26.650 2.960 1.00 0.00 H new ATOM 0 HA SER A 2 2.413 25.934 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.881 23.669 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.491 23.759 1.040 1.00 0.00 H new ATOM 0 HG SER A 2 3.175 24.326 3.798 1.00 0.00 H new ATOM 19 N SER A 3 0.619 26.646 2.347 1.00 0.00 N ATOM 20 CA SER A 3 -0.430 27.152 3.224 1.00 0.00 C ATOM 21 C SER A 3 -1.531 26.112 3.410 1.00 0.00 C ATOM 22 O SER A 3 -1.571 25.102 2.709 1.00 0.00 O ATOM 23 CB SER A 3 -1.022 28.442 2.654 1.00 0.00 C ATOM 24 OG SER A 3 -1.789 29.126 3.630 1.00 0.00 O ATOM 0 H SER A 3 0.413 26.729 1.352 1.00 0.00 H new ATOM 0 HA SER A 3 0.014 27.363 4.197 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.219 29.088 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.648 28.209 1.793 1.00 0.00 H new ATOM 0 HG SER A 3 -2.155 29.948 3.241 1.00 0.00 H new ATOM 30 N GLY A 4 -2.424 26.369 4.361 1.00 0.00 N ATOM 31 CA GLY A 4 -3.514 25.447 4.623 1.00 0.00 C ATOM 32 C GLY A 4 -4.854 25.987 4.162 1.00 0.00 C ATOM 33 O GLY A 4 -5.178 27.150 4.402 1.00 0.00 O ATOM 0 H GLY A 4 -2.412 27.199 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.314 24.501 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.559 25.236 5.692 1.00 0.00 H new ATOM 37 N SER A 5 -5.633 25.141 3.496 1.00 0.00 N ATOM 38 CA SER A 5 -6.943 25.541 2.995 1.00 0.00 C ATOM 39 C SER A 5 -7.947 24.400 3.127 1.00 0.00 C ATOM 40 O SER A 5 -7.649 23.254 2.790 1.00 0.00 O ATOM 41 CB SER A 5 -6.841 25.980 1.533 1.00 0.00 C ATOM 42 OG SER A 5 -8.009 26.672 1.126 1.00 0.00 O ATOM 0 H SER A 5 -5.380 24.174 3.291 1.00 0.00 H new ATOM 0 HA SER A 5 -7.293 26.381 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.970 26.622 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.691 25.107 0.897 1.00 0.00 H new ATOM 0 HG SER A 5 -7.918 26.944 0.189 1.00 0.00 H new ATOM 48 N SER A 6 -9.139 24.723 3.619 1.00 0.00 N ATOM 49 CA SER A 6 -10.187 23.725 3.800 1.00 0.00 C ATOM 50 C SER A 6 -10.331 22.856 2.554 1.00 0.00 C ATOM 51 O SER A 6 -10.833 23.306 1.525 1.00 0.00 O ATOM 52 CB SER A 6 -11.520 24.406 4.117 1.00 0.00 C ATOM 53 OG SER A 6 -11.437 25.155 5.317 1.00 0.00 O ATOM 0 H SER A 6 -9.403 25.668 3.899 1.00 0.00 H new ATOM 0 HA SER A 6 -9.905 23.086 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.802 25.062 3.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.304 23.654 4.207 1.00 0.00 H new ATOM 0 HG SER A 6 -12.301 25.582 5.497 1.00 0.00 H new ATOM 59 N GLY A 7 -9.884 21.608 2.656 1.00 0.00 N ATOM 60 CA GLY A 7 -9.971 20.695 1.531 1.00 0.00 C ATOM 61 C GLY A 7 -9.102 21.126 0.366 1.00 0.00 C ATOM 62 O GLY A 7 -7.875 21.066 0.443 1.00 0.00 O ATOM 0 H GLY A 7 -9.463 21.213 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.673 19.697 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.008 20.627 1.201 1.00 0.00 H new ATOM 66 N SER A 8 -9.739 21.560 -0.717 1.00 0.00 N ATOM 67 CA SER A 8 -9.016 21.998 -1.905 1.00 0.00 C ATOM 68 C SER A 8 -7.761 21.156 -2.117 1.00 0.00 C ATOM 69 O SER A 8 -6.690 21.684 -2.417 1.00 0.00 O ATOM 70 CB SER A 8 -8.638 23.475 -1.783 1.00 0.00 C ATOM 71 OG SER A 8 -7.937 23.725 -0.578 1.00 0.00 O ATOM 0 H SER A 8 -10.754 21.618 -0.796 1.00 0.00 H new ATOM 0 HA SER A 8 -9.670 21.868 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.021 23.767 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.539 24.088 -1.817 1.00 0.00 H new ATOM 0 HG SER A 8 -8.503 24.249 0.027 1.00 0.00 H new ATOM 77 N ASP A 9 -7.902 19.845 -1.960 1.00 0.00 N ATOM 78 CA ASP A 9 -6.781 18.929 -2.135 1.00 0.00 C ATOM 79 C ASP A 9 -6.944 18.107 -3.410 1.00 0.00 C ATOM 80 O ASP A 9 -7.962 18.203 -4.096 1.00 0.00 O ATOM 81 CB ASP A 9 -6.661 17.999 -0.927 1.00 0.00 C ATOM 82 CG ASP A 9 -5.919 18.644 0.228 1.00 0.00 C ATOM 83 OD1 ASP A 9 -4.671 18.656 0.198 1.00 0.00 O ATOM 84 OD2 ASP A 9 -6.587 19.134 1.162 1.00 0.00 O ATOM 0 H ASP A 9 -8.782 19.392 -1.712 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.870 19.522 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.658 17.706 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.143 17.087 -1.224 1.00 0.00 H new ATOM 89 N ASP A 10 -5.936 17.301 -3.722 1.00 0.00 N ATOM 90 CA ASP A 10 -5.967 16.463 -4.915 1.00 0.00 C ATOM 91 C ASP A 10 -5.792 14.992 -4.550 1.00 0.00 C ATOM 92 O ASP A 10 -4.953 14.297 -5.121 1.00 0.00 O ATOM 93 CB ASP A 10 -4.874 16.892 -5.895 1.00 0.00 C ATOM 94 CG ASP A 10 -4.826 18.395 -6.086 1.00 0.00 C ATOM 95 OD1 ASP A 10 -4.203 19.081 -5.248 1.00 0.00 O ATOM 96 OD2 ASP A 10 -5.410 18.886 -7.075 1.00 0.00 O ATOM 0 H ASP A 10 -5.086 17.210 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.939 16.588 -5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.907 16.544 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.045 16.411 -6.858 1.00 0.00 H new ATOM 101 N ALA A 11 -6.589 14.526 -3.594 1.00 0.00 N ATOM 102 CA ALA A 11 -6.523 13.138 -3.154 1.00 0.00 C ATOM 103 C ALA A 11 -6.939 12.187 -4.271 1.00 0.00 C ATOM 104 O ALA A 11 -6.170 11.316 -4.676 1.00 0.00 O ATOM 105 CB ALA A 11 -7.399 12.931 -1.927 1.00 0.00 C ATOM 0 H ALA A 11 -7.288 15.089 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.489 12.915 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.340 11.890 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.053 13.577 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.432 13.178 -2.172 1.00 0.00 H new ATOM 111 N ARG A 12 -8.161 12.360 -4.764 1.00 0.00 N ATOM 112 CA ARG A 12 -8.681 11.516 -5.833 1.00 0.00 C ATOM 113 C ARG A 12 -7.680 11.416 -6.981 1.00 0.00 C ATOM 114 O ARG A 12 -7.406 10.326 -7.485 1.00 0.00 O ATOM 115 CB ARG A 12 -10.011 12.069 -6.348 1.00 0.00 C ATOM 116 CG ARG A 12 -11.191 11.760 -5.441 1.00 0.00 C ATOM 117 CD ARG A 12 -12.355 12.704 -5.700 1.00 0.00 C ATOM 118 NE ARG A 12 -12.183 13.985 -5.021 1.00 0.00 N ATOM 119 CZ ARG A 12 -12.407 14.166 -3.724 1.00 0.00 C ATOM 120 NH1 ARG A 12 -12.809 13.152 -2.970 1.00 0.00 N ATOM 121 NH2 ARG A 12 -12.228 15.362 -3.179 1.00 0.00 N ATOM 0 H ARG A 12 -8.810 13.077 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.844 10.518 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.925 13.150 -6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.207 11.657 -7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.513 10.731 -5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.881 11.840 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.453 12.873 -6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.281 12.238 -5.365 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.874 14.785 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.947 12.231 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.980 13.293 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.918 16.144 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.400 15.500 -2.183 1.00 0.00 H new ATOM 135 N ARG A 13 -7.140 12.559 -7.389 1.00 0.00 N ATOM 136 CA ARG A 13 -6.172 12.600 -8.479 1.00 0.00 C ATOM 137 C ARG A 13 -5.197 11.431 -8.384 1.00 0.00 C ATOM 138 O ARG A 13 -5.141 10.581 -9.274 1.00 0.00 O ATOM 139 CB ARG A 13 -5.403 13.923 -8.457 1.00 0.00 C ATOM 140 CG ARG A 13 -6.074 15.031 -9.252 1.00 0.00 C ATOM 141 CD ARG A 13 -7.289 15.583 -8.522 1.00 0.00 C ATOM 142 NE ARG A 13 -7.584 16.959 -8.913 1.00 0.00 N ATOM 143 CZ ARG A 13 -8.030 17.301 -10.116 1.00 0.00 C ATOM 144 NH1 ARG A 13 -8.232 16.373 -11.041 1.00 0.00 N ATOM 145 NH2 ARG A 13 -8.275 18.575 -10.397 1.00 0.00 N ATOM 0 H ARG A 13 -7.356 13.469 -6.982 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.717 12.520 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.286 14.249 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.401 13.758 -8.854 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.360 15.835 -9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.376 14.649 -10.227 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.154 14.954 -8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.116 15.541 -7.447 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.440 17.697 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.045 15.393 -10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.575 16.639 -11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.121 19.292 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.618 18.837 -11.321 1.00 0.00 H new ATOM 159 N LEU A 14 -4.429 11.394 -7.301 1.00 0.00 N ATOM 160 CA LEU A 14 -3.454 10.329 -7.089 1.00 0.00 C ATOM 161 C LEU A 14 -4.000 8.989 -7.571 1.00 0.00 C ATOM 162 O LEU A 14 -5.168 8.666 -7.352 1.00 0.00 O ATOM 163 CB LEU A 14 -3.082 10.239 -5.608 1.00 0.00 C ATOM 164 CG LEU A 14 -2.124 11.312 -5.090 1.00 0.00 C ATOM 165 CD1 LEU A 14 -2.863 12.622 -4.862 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.447 10.849 -3.808 1.00 0.00 C ATOM 0 H LEU A 14 -4.462 12.089 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.561 10.566 -7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.999 10.285 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.635 9.262 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.354 11.479 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.165 13.374 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.300 12.962 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.654 12.470 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.769 11.625 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.203 10.653 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.884 9.936 -4.003 1.00 0.00 H new ATOM 178 N THR A 15 -3.145 8.209 -8.227 1.00 0.00 N ATOM 179 CA THR A 15 -3.540 6.903 -8.738 1.00 0.00 C ATOM 180 C THR A 15 -2.664 5.798 -8.161 1.00 0.00 C ATOM 181 O THR A 15 -1.444 5.941 -8.075 1.00 0.00 O ATOM 182 CB THR A 15 -3.461 6.855 -10.276 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.046 8.037 -10.834 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.176 5.626 -10.816 1.00 0.00 C ATOM 0 H THR A 15 -2.175 8.460 -8.416 1.00 0.00 H new ATOM 0 HA THR A 15 -4.573 6.742 -8.429 1.00 0.00 H new ATOM 0 HB THR A 15 -2.411 6.800 -10.562 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.990 7.999 -11.812 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.107 5.614 -11.904 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.710 4.727 -10.412 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.224 5.655 -10.519 1.00 0.00 H new ATOM 192 N VAL A 16 -3.292 4.695 -7.766 1.00 0.00 N ATOM 193 CA VAL A 16 -2.568 3.564 -7.198 1.00 0.00 C ATOM 194 C VAL A 16 -2.253 2.522 -8.265 1.00 0.00 C ATOM 195 O VAL A 16 -3.128 2.116 -9.029 1.00 0.00 O ATOM 196 CB VAL A 16 -3.370 2.897 -6.065 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.694 1.609 -5.619 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.537 3.854 -4.895 1.00 0.00 C ATOM 0 H VAL A 16 -4.301 4.561 -7.829 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.636 3.956 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.361 2.647 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.275 1.152 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.632 0.920 -6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.690 1.831 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.106 3.366 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.556 4.138 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.069 4.746 -5.227 1.00 0.00 H new ATOM 208 N MET A 17 -0.996 2.092 -8.311 1.00 0.00 N ATOM 209 CA MET A 17 -0.565 1.095 -9.284 1.00 0.00 C ATOM 210 C MET A 17 0.053 -0.113 -8.587 1.00 0.00 C ATOM 211 O MET A 17 0.099 -0.176 -7.359 1.00 0.00 O ATOM 212 CB MET A 17 0.442 1.706 -10.260 1.00 0.00 C ATOM 213 CG MET A 17 -0.205 2.487 -11.393 1.00 0.00 C ATOM 214 SD MET A 17 -1.135 1.432 -12.521 1.00 0.00 S ATOM 215 CE MET A 17 0.175 0.404 -13.181 1.00 0.00 C ATOM 0 H MET A 17 -0.259 2.418 -7.686 1.00 0.00 H new ATOM 0 HA MET A 17 -1.442 0.762 -9.839 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.112 2.367 -9.711 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.055 0.910 -10.682 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.871 3.242 -10.975 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.567 3.017 -11.951 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.130 0.001 -14.147 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.078 1.001 -13.306 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.375 -0.417 -12.492 1.00 0.00 H new ATOM 225 N SER A 18 0.526 -1.069 -9.379 1.00 0.00 N ATOM 226 CA SER A 18 1.137 -2.277 -8.838 1.00 0.00 C ATOM 227 C SER A 18 0.354 -2.789 -7.633 1.00 0.00 C ATOM 228 O SER A 18 0.929 -3.332 -6.689 1.00 0.00 O ATOM 229 CB SER A 18 2.589 -2.005 -8.438 1.00 0.00 C ATOM 230 OG SER A 18 3.228 -3.191 -7.999 1.00 0.00 O ATOM 0 H SER A 18 0.498 -1.031 -10.398 1.00 0.00 H new ATOM 0 HA SER A 18 1.118 -3.042 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.131 -1.589 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.617 -1.258 -7.645 1.00 0.00 H new ATOM 0 HG SER A 18 2.669 -3.634 -7.327 1.00 0.00 H new ATOM 236 N LEU A 19 -0.962 -2.612 -7.672 1.00 0.00 N ATOM 237 CA LEU A 19 -1.827 -3.056 -6.584 1.00 0.00 C ATOM 238 C LEU A 19 -2.427 -4.425 -6.889 1.00 0.00 C ATOM 239 O LEU A 19 -3.089 -4.609 -7.909 1.00 0.00 O ATOM 240 CB LEU A 19 -2.944 -2.038 -6.347 1.00 0.00 C ATOM 241 CG LEU A 19 -3.576 -2.048 -4.955 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.711 -1.278 -3.970 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.981 -1.464 -5.003 1.00 0.00 C ATOM 0 H LEU A 19 -1.454 -2.164 -8.445 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.221 -3.139 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.546 -1.041 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.730 -2.213 -7.082 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.644 -3.082 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.177 -1.296 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.725 -1.739 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.610 -0.246 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.416 -1.479 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.936 -0.436 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.599 -2.058 -5.676 1.00 0.00 H new ATOM 255 N GLN A 20 -2.191 -5.380 -5.996 1.00 0.00 N ATOM 256 CA GLN A 20 -2.710 -6.732 -6.169 1.00 0.00 C ATOM 257 C GLN A 20 -4.133 -6.842 -5.633 1.00 0.00 C ATOM 258 O GLN A 20 -4.556 -6.039 -4.802 1.00 0.00 O ATOM 259 CB GLN A 20 -1.806 -7.743 -5.461 1.00 0.00 C ATOM 260 CG GLN A 20 -1.826 -9.125 -6.093 1.00 0.00 C ATOM 261 CD GLN A 20 -1.046 -9.184 -7.392 1.00 0.00 C ATOM 262 OE1 GLN A 20 -1.479 -8.652 -8.414 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.111 -9.834 -7.358 1.00 0.00 N ATOM 0 H GLN A 20 -1.644 -5.243 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.725 -6.954 -7.236 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.783 -7.367 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.114 -7.825 -4.419 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.410 -9.848 -5.391 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.859 -9.420 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.431 -10.260 -6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.680 -9.907 -8.202 1.00 0.00 H new ATOM 272 N GLU A 21 -4.867 -7.840 -6.115 1.00 0.00 N ATOM 273 CA GLU A 21 -6.243 -8.053 -5.684 1.00 0.00 C ATOM 274 C GLU A 21 -6.383 -9.382 -4.947 1.00 0.00 C ATOM 275 O GLU A 21 -6.569 -9.412 -3.730 1.00 0.00 O ATOM 276 CB GLU A 21 -7.188 -8.023 -6.887 1.00 0.00 C ATOM 277 CG GLU A 21 -7.331 -6.646 -7.514 1.00 0.00 C ATOM 278 CD GLU A 21 -7.946 -5.634 -6.566 1.00 0.00 C ATOM 279 OE1 GLU A 21 -9.129 -5.806 -6.202 1.00 0.00 O ATOM 280 OE2 GLU A 21 -7.246 -4.672 -6.189 1.00 0.00 O ATOM 0 H GLU A 21 -4.532 -8.513 -6.804 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.511 -7.248 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.824 -8.721 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.171 -8.375 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.350 -6.292 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.948 -6.721 -8.410 1.00 0.00 H new ATOM 287 N SER A 22 -6.294 -10.478 -5.693 1.00 0.00 N ATOM 288 CA SER A 22 -6.415 -11.810 -5.112 1.00 0.00 C ATOM 289 C SER A 22 -5.179 -12.650 -5.417 1.00 0.00 C ATOM 290 O SER A 22 -5.253 -13.875 -5.504 1.00 0.00 O ATOM 291 CB SER A 22 -7.666 -12.511 -5.646 1.00 0.00 C ATOM 292 OG SER A 22 -7.490 -12.913 -6.993 1.00 0.00 O ATOM 0 H SER A 22 -6.139 -10.470 -6.701 1.00 0.00 H new ATOM 0 HA SER A 22 -6.502 -11.701 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.890 -13.382 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.522 -11.840 -5.572 1.00 0.00 H new ATOM 0 HG SER A 22 -8.303 -13.360 -7.310 1.00 0.00 H new ATOM 298 N GLY A 23 -4.041 -11.981 -5.579 1.00 0.00 N ATOM 299 CA GLY A 23 -2.804 -12.681 -5.873 1.00 0.00 C ATOM 300 C GLY A 23 -1.672 -12.267 -4.954 1.00 0.00 C ATOM 301 O GLY A 23 -0.544 -12.056 -5.403 1.00 0.00 O ATOM 0 H GLY A 23 -3.954 -10.967 -5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.967 -13.755 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.518 -12.488 -6.907 1.00 0.00 H new ATOM 305 N LEU A 24 -1.971 -12.150 -3.665 1.00 0.00 N ATOM 306 CA LEU A 24 -0.969 -11.757 -2.680 1.00 0.00 C ATOM 307 C LEU A 24 -0.147 -12.960 -2.229 1.00 0.00 C ATOM 308 O LEU A 24 -0.507 -14.107 -2.497 1.00 0.00 O ATOM 309 CB LEU A 24 -1.642 -11.103 -1.472 1.00 0.00 C ATOM 310 CG LEU A 24 -1.861 -9.592 -1.562 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.484 -9.066 -0.279 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.548 -8.880 -1.851 1.00 0.00 C ATOM 0 H LEU A 24 -2.899 -12.322 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.298 -11.037 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.609 -11.581 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.038 -11.310 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.549 -9.392 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.632 -7.989 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.445 -9.553 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.822 -9.278 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.722 -7.806 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.162 -9.088 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.142 -9.236 -2.798 1.00 0.00 H new ATOM 324 N LYS A 25 0.958 -12.692 -1.542 1.00 0.00 N ATOM 325 CA LYS A 25 1.830 -13.752 -1.049 1.00 0.00 C ATOM 326 C LYS A 25 2.043 -13.625 0.456 1.00 0.00 C ATOM 327 O LYS A 25 2.643 -12.660 0.929 1.00 0.00 O ATOM 328 CB LYS A 25 3.178 -13.707 -1.772 1.00 0.00 C ATOM 329 CG LYS A 25 3.078 -13.980 -3.263 1.00 0.00 C ATOM 330 CD LYS A 25 4.380 -14.534 -3.817 1.00 0.00 C ATOM 331 CE LYS A 25 4.144 -15.368 -5.067 1.00 0.00 C ATOM 332 NZ LYS A 25 4.072 -14.524 -6.291 1.00 0.00 N ATOM 0 H LYS A 25 1.271 -11.749 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 25 1.348 -14.709 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.630 -12.727 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.847 -14.440 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.271 -14.688 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.822 -13.059 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.057 -13.712 -4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.869 -15.145 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.948 -16.096 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.217 -15.930 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.910 -15.129 -7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.289 -13.846 -6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.966 -14.006 -6.409 1.00 0.00 H new ATOM 346 N VAL A 26 1.550 -14.607 1.203 1.00 0.00 N ATOM 347 CA VAL A 26 1.689 -14.607 2.655 1.00 0.00 C ATOM 348 C VAL A 26 3.147 -14.777 3.067 1.00 0.00 C ATOM 349 O VAL A 26 3.903 -15.506 2.426 1.00 0.00 O ATOM 350 CB VAL A 26 0.851 -15.728 3.299 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.635 -15.446 3.135 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.215 -17.077 2.698 1.00 0.00 C ATOM 0 H VAL A 26 1.051 -15.413 0.827 1.00 0.00 H new ATOM 0 HA VAL A 26 1.324 -13.642 3.008 1.00 0.00 H new ATOM 0 HB VAL A 26 1.075 -15.758 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.211 -16.249 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.881 -14.500 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.879 -15.387 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.614 -17.857 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.021 -17.062 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.272 -17.280 2.873 1.00 0.00 H new ATOM 362 N ASN A 27 3.535 -14.098 4.142 1.00 0.00 N ATOM 363 CA ASN A 27 4.903 -14.173 4.640 1.00 0.00 C ATOM 364 C ASN A 27 5.893 -13.685 3.587 1.00 0.00 C ATOM 365 O ASN A 27 7.032 -14.148 3.531 1.00 0.00 O ATOM 366 CB ASN A 27 5.241 -15.608 5.048 1.00 0.00 C ATOM 367 CG ASN A 27 4.449 -16.067 6.257 1.00 0.00 C ATOM 368 OD1 ASN A 27 4.713 -15.644 7.383 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.473 -16.938 6.029 1.00 0.00 N ATOM 0 H ASN A 27 2.921 -13.490 4.684 1.00 0.00 H new ATOM 0 HA ASN A 27 4.981 -13.526 5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.042 -16.277 4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.306 -15.679 5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.907 -17.284 6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.290 -17.261 5.079 1.00 0.00 H new ATOM 376 N GLN A 28 5.450 -12.747 2.755 1.00 0.00 N ATOM 377 CA GLN A 28 6.298 -12.197 1.704 1.00 0.00 C ATOM 378 C GLN A 28 6.083 -10.693 1.564 1.00 0.00 C ATOM 379 O GLN A 28 4.975 -10.182 1.725 1.00 0.00 O ATOM 380 CB GLN A 28 6.011 -12.892 0.372 1.00 0.00 C ATOM 381 CG GLN A 28 6.821 -14.161 0.161 1.00 0.00 C ATOM 382 CD GLN A 28 8.313 -13.899 0.111 1.00 0.00 C ATOM 383 OE1 GLN A 28 8.872 -13.628 -0.952 1.00 0.00 O ATOM 384 NE2 GLN A 28 8.967 -13.978 1.264 1.00 0.00 N ATOM 0 H GLN A 28 4.510 -12.353 2.789 1.00 0.00 H new ATOM 0 HA GLN A 28 7.338 -12.373 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.950 -13.135 0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.219 -12.198 -0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.606 -14.863 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.508 -14.637 -0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.463 -14.206 2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.973 -13.811 1.292 1.00 0.00 H new ATOM 393 N PRO A 29 7.168 -9.967 1.256 1.00 0.00 N ATOM 394 CA PRO A 29 7.124 -8.511 1.086 1.00 0.00 C ATOM 395 C PRO A 29 6.369 -8.097 -0.172 1.00 0.00 C ATOM 396 O PRO A 29 6.626 -8.611 -1.260 1.00 0.00 O ATOM 397 CB PRO A 29 8.600 -8.122 0.976 1.00 0.00 C ATOM 398 CG PRO A 29 9.278 -9.348 0.469 1.00 0.00 C ATOM 399 CD PRO A 29 8.521 -10.510 1.049 1.00 0.00 C ATOM 0 HA PRO A 29 6.600 -8.021 1.906 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.738 -7.283 0.295 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.002 -7.818 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.265 -9.379 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.324 -9.371 0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.512 -11.363 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.964 -10.852 1.984 1.00 0.00 H new ATOM 407 N ALA A 30 5.435 -7.164 -0.015 1.00 0.00 N ATOM 408 CA ALA A 30 4.644 -6.679 -1.139 1.00 0.00 C ATOM 409 C ALA A 30 4.517 -5.160 -1.106 1.00 0.00 C ATOM 410 O ALA A 30 4.013 -4.591 -0.137 1.00 0.00 O ATOM 411 CB ALA A 30 3.267 -7.326 -1.134 1.00 0.00 C ATOM 0 H ALA A 30 5.208 -6.729 0.879 1.00 0.00 H new ATOM 0 HA ALA A 30 5.159 -6.954 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.687 -6.954 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.373 -8.408 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.753 -7.080 -0.205 1.00 0.00 H new ATOM 417 N SER A 31 4.977 -4.508 -2.169 1.00 0.00 N ATOM 418 CA SER A 31 4.918 -3.054 -2.259 1.00 0.00 C ATOM 419 C SER A 31 4.250 -2.616 -3.559 1.00 0.00 C ATOM 420 O SER A 31 4.170 -3.384 -4.518 1.00 0.00 O ATOM 421 CB SER A 31 6.325 -2.459 -2.170 1.00 0.00 C ATOM 422 OG SER A 31 7.037 -2.650 -3.381 1.00 0.00 O ATOM 0 H SER A 31 5.395 -4.964 -2.980 1.00 0.00 H new ATOM 0 HA SER A 31 4.322 -2.687 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.259 -1.394 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.869 -2.924 -1.348 1.00 0.00 H new ATOM 0 HG SER A 31 7.932 -2.260 -3.299 1.00 0.00 H new ATOM 428 N PHE A 32 3.771 -1.377 -3.582 1.00 0.00 N ATOM 429 CA PHE A 32 3.108 -0.836 -4.763 1.00 0.00 C ATOM 430 C PHE A 32 3.607 0.573 -5.069 1.00 0.00 C ATOM 431 O PHE A 32 4.273 1.200 -4.246 1.00 0.00 O ATOM 432 CB PHE A 32 1.592 -0.820 -4.561 1.00 0.00 C ATOM 433 CG PHE A 32 1.164 -0.141 -3.291 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.037 1.237 -3.235 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.890 -0.882 -2.152 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.643 1.864 -2.068 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.496 -0.261 -0.983 1.00 0.00 C ATOM 438 CZ PHE A 32 0.373 1.114 -0.940 1.00 0.00 C ATOM 0 H PHE A 32 3.829 -0.729 -2.797 1.00 0.00 H new ATOM 0 HA PHE A 32 3.347 -1.479 -5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.126 -0.316 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.223 -1.846 -4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.248 1.829 -4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.986 -1.957 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.546 2.939 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.284 -0.850 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.066 1.602 -0.026 1.00 0.00 H new ATOM 448 N ALA A 33 3.280 1.065 -6.260 1.00 0.00 N ATOM 449 CA ALA A 33 3.693 2.400 -6.675 1.00 0.00 C ATOM 450 C ALA A 33 2.509 3.361 -6.688 1.00 0.00 C ATOM 451 O ALA A 33 1.418 3.011 -7.139 1.00 0.00 O ATOM 452 CB ALA A 33 4.347 2.347 -8.047 1.00 0.00 C ATOM 0 H ALA A 33 2.730 0.559 -6.954 1.00 0.00 H new ATOM 0 HA ALA A 33 4.420 2.770 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.650 3.351 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.223 1.700 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.637 1.952 -8.774 1.00 0.00 H new ATOM 458 N ILE A 34 2.732 4.573 -6.191 1.00 0.00 N ATOM 459 CA ILE A 34 1.683 5.584 -6.146 1.00 0.00 C ATOM 460 C ILE A 34 1.942 6.690 -7.164 1.00 0.00 C ATOM 461 O ILE A 34 2.842 7.512 -6.987 1.00 0.00 O ATOM 462 CB ILE A 34 1.563 6.210 -4.744 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.314 5.123 -3.696 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.448 7.244 -4.719 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.206 5.658 -2.285 1.00 0.00 C ATOM 0 H ILE A 34 3.629 4.879 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 34 0.748 5.080 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 34 2.501 6.711 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.395 4.592 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.125 4.395 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.376 7.677 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.665 8.031 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.497 6.766 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.030 4.833 -1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.133 6.164 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.377 6.364 -2.226 1.00 0.00 H new ATOM 477 N ARG A 35 1.146 6.705 -8.228 1.00 0.00 N ATOM 478 CA ARG A 35 1.289 7.711 -9.274 1.00 0.00 C ATOM 479 C ARG A 35 0.729 9.055 -8.817 1.00 0.00 C ATOM 480 O ARG A 35 -0.388 9.132 -8.303 1.00 0.00 O ATOM 481 CB ARG A 35 0.575 7.256 -10.549 1.00 0.00 C ATOM 482 CG ARG A 35 0.115 8.405 -11.431 1.00 0.00 C ATOM 483 CD ARG A 35 0.018 7.983 -12.889 1.00 0.00 C ATOM 484 NE ARG A 35 1.335 7.828 -13.502 1.00 0.00 N ATOM 485 CZ ARG A 35 2.141 8.847 -13.779 1.00 0.00 C ATOM 486 NH1 ARG A 35 1.767 10.087 -13.499 1.00 0.00 N ATOM 487 NH2 ARG A 35 3.324 8.625 -14.337 1.00 0.00 N ATOM 0 H ARG A 35 0.396 6.033 -8.389 1.00 0.00 H new ATOM 0 HA ARG A 35 2.352 7.832 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.245 6.615 -11.122 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.289 6.650 -10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.856 8.762 -11.089 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.811 9.238 -11.338 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.527 7.042 -12.959 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.555 8.725 -13.444 1.00 0.00 H new ATOM 0 HE ARG A 35 1.653 6.886 -13.730 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.858 10.261 -13.070 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.388 10.868 -13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.615 7.672 -14.553 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.943 9.408 -14.550 1.00 0.00 H new ATOM 501 N LEU A 36 1.513 10.111 -9.005 1.00 0.00 N ATOM 502 CA LEU A 36 1.096 11.452 -8.611 1.00 0.00 C ATOM 503 C LEU A 36 0.845 12.326 -9.836 1.00 0.00 C ATOM 504 O LEU A 36 1.761 12.610 -10.606 1.00 0.00 O ATOM 505 CB LEU A 36 2.160 12.097 -7.720 1.00 0.00 C ATOM 506 CG LEU A 36 2.650 11.254 -6.542 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.790 11.956 -5.821 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.506 10.965 -5.581 1.00 0.00 C ATOM 0 H LEU A 36 2.440 10.065 -9.428 1.00 0.00 H new ATOM 0 HA LEU A 36 0.165 11.367 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.019 12.352 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.760 13.033 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 36 3.022 10.305 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.126 11.341 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.618 12.111 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.445 12.920 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.873 10.364 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.104 11.904 -5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.721 10.419 -6.104 1.00 0.00 H new ATOM 520 N ASN A 37 -0.403 12.750 -10.008 1.00 0.00 N ATOM 521 CA ASN A 37 -0.775 13.593 -11.139 1.00 0.00 C ATOM 522 C ASN A 37 -0.528 15.065 -10.823 1.00 0.00 C ATOM 523 O ASN A 37 -1.143 15.949 -11.418 1.00 0.00 O ATOM 524 CB ASN A 37 -2.245 13.376 -11.501 1.00 0.00 C ATOM 525 CG ASN A 37 -2.489 12.025 -12.144 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.605 11.917 -13.365 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.569 10.984 -11.322 1.00 0.00 N ATOM 0 H ASN A 37 -1.174 12.524 -9.379 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.154 13.313 -11.990 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.854 13.462 -10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.569 14.163 -12.182 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.733 10.050 -11.697 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.467 11.119 -10.316 1.00 0.00 H new ATOM 534 N GLY A 38 0.376 15.320 -9.883 1.00 0.00 N ATOM 535 CA GLY A 38 0.689 16.686 -9.505 1.00 0.00 C ATOM 536 C GLY A 38 0.108 17.062 -8.156 1.00 0.00 C ATOM 537 O GLY A 38 -0.287 18.207 -7.939 1.00 0.00 O ATOM 0 H GLY A 38 0.898 14.605 -9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.771 16.814 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.306 17.367 -10.265 1.00 0.00 H new ATOM 541 N ALA A 39 0.055 16.094 -7.246 1.00 0.00 N ATOM 542 CA ALA A 39 -0.480 16.329 -5.911 1.00 0.00 C ATOM 543 C ALA A 39 0.630 16.334 -4.867 1.00 0.00 C ATOM 544 O ALA A 39 1.472 15.435 -4.836 1.00 0.00 O ATOM 545 CB ALA A 39 -1.525 15.276 -5.569 1.00 0.00 C ATOM 0 H ALA A 39 0.376 15.140 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.953 17.311 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.917 15.463 -4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.339 15.323 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.069 14.287 -5.600 1.00 0.00 H new ATOM 551 N LYS A 40 0.629 17.352 -4.013 1.00 0.00 N ATOM 552 CA LYS A 40 1.636 17.474 -2.966 1.00 0.00 C ATOM 553 C LYS A 40 0.982 17.631 -1.597 1.00 0.00 C ATOM 554 O LYS A 40 -0.051 18.286 -1.463 1.00 0.00 O ATOM 555 CB LYS A 40 2.550 18.670 -3.246 1.00 0.00 C ATOM 556 CG LYS A 40 1.861 20.013 -3.081 1.00 0.00 C ATOM 557 CD LYS A 40 2.556 21.099 -3.885 1.00 0.00 C ATOM 558 CE LYS A 40 3.896 21.476 -3.271 1.00 0.00 C ATOM 559 NZ LYS A 40 4.897 20.382 -3.410 1.00 0.00 N ATOM 0 H LYS A 40 -0.059 18.105 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 40 2.232 16.561 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.408 18.626 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.936 18.592 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.822 19.931 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.850 20.290 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.707 20.755 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.917 21.981 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.275 22.378 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.759 21.711 -2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.830 20.790 -3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.949 19.844 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.612 19.747 -4.183 1.00 0.00 H new ATOM 573 N GLY A 41 1.591 17.026 -0.582 1.00 0.00 N ATOM 574 CA GLY A 41 1.053 17.112 0.764 1.00 0.00 C ATOM 575 C GLY A 41 1.640 16.065 1.690 1.00 0.00 C ATOM 576 O GLY A 41 2.859 15.946 1.813 1.00 0.00 O ATOM 0 H GLY A 41 2.447 16.478 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.252 18.104 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.030 16.994 0.727 1.00 0.00 H new ATOM 580 N LYS A 42 0.770 15.304 2.346 1.00 0.00 N ATOM 581 CA LYS A 42 1.207 14.262 3.267 1.00 0.00 C ATOM 582 C LYS A 42 0.608 12.912 2.886 1.00 0.00 C ATOM 583 O LYS A 42 -0.598 12.699 3.017 1.00 0.00 O ATOM 584 CB LYS A 42 0.811 14.621 4.701 1.00 0.00 C ATOM 585 CG LYS A 42 1.722 15.653 5.343 1.00 0.00 C ATOM 586 CD LYS A 42 1.015 16.401 6.461 1.00 0.00 C ATOM 587 CE LYS A 42 0.127 17.510 5.917 1.00 0.00 C ATOM 588 NZ LYS A 42 0.916 18.713 5.531 1.00 0.00 N ATOM 0 H LYS A 42 -0.242 15.390 2.257 1.00 0.00 H new ATOM 0 HA LYS A 42 2.293 14.189 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.211 15.000 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.817 13.716 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.610 15.160 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.061 16.362 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.412 15.703 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.754 16.826 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.423 17.143 5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.612 17.786 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.273 19.452 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.434 19.069 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.592 18.459 4.782 1.00 0.00 H new ATOM 602 N ILE A 43 1.457 12.005 2.415 1.00 0.00 N ATOM 603 CA ILE A 43 1.010 10.675 2.017 1.00 0.00 C ATOM 604 C ILE A 43 1.116 9.690 3.176 1.00 0.00 C ATOM 605 O ILE A 43 2.211 9.395 3.655 1.00 0.00 O ATOM 606 CB ILE A 43 1.827 10.140 0.826 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.773 11.126 -0.342 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.307 8.775 0.399 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.797 10.844 -1.419 1.00 0.00 C ATOM 0 H ILE A 43 2.458 12.166 2.300 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.034 10.769 1.718 1.00 0.00 H new ATOM 0 HB ILE A 43 2.866 10.031 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.777 11.100 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.926 12.136 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.894 8.409 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.393 8.076 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.261 8.860 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.700 11.582 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.798 10.899 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.631 9.847 -1.827 1.00 0.00 H new ATOM 621 N ASP A 44 -0.028 9.184 3.622 1.00 0.00 N ATOM 622 CA ASP A 44 -0.064 8.229 4.723 1.00 0.00 C ATOM 623 C ASP A 44 -0.688 6.909 4.279 1.00 0.00 C ATOM 624 O ASP A 44 -1.762 6.890 3.679 1.00 0.00 O ATOM 625 CB ASP A 44 -0.849 8.807 5.902 1.00 0.00 C ATOM 626 CG ASP A 44 0.029 9.600 6.849 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.962 9.007 7.431 1.00 0.00 O ATOM 628 OD2 ASP A 44 -0.216 10.814 7.009 1.00 0.00 O ATOM 0 H ASP A 44 -0.943 9.419 3.238 1.00 0.00 H new ATOM 0 HA ASP A 44 0.962 8.037 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.645 9.450 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.328 7.995 6.449 1.00 0.00 H new ATOM 633 N ALA A 45 -0.005 5.808 4.575 1.00 0.00 N ATOM 634 CA ALA A 45 -0.492 4.485 4.207 1.00 0.00 C ATOM 635 C ALA A 45 -0.414 3.523 5.388 1.00 0.00 C ATOM 636 O ALA A 45 0.633 3.384 6.021 1.00 0.00 O ATOM 637 CB ALA A 45 0.299 3.941 3.027 1.00 0.00 C ATOM 0 H ALA A 45 0.888 5.807 5.069 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.539 4.578 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.076 2.952 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.188 4.611 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.353 3.870 3.297 1.00 0.00 H new ATOM 643 N LYS A 46 -1.528 2.860 5.680 1.00 0.00 N ATOM 644 CA LYS A 46 -1.587 1.910 6.784 1.00 0.00 C ATOM 645 C LYS A 46 -2.387 0.672 6.395 1.00 0.00 C ATOM 646 O LYS A 46 -3.297 0.742 5.569 1.00 0.00 O ATOM 647 CB LYS A 46 -2.212 2.568 8.017 1.00 0.00 C ATOM 648 CG LYS A 46 -1.292 3.557 8.711 1.00 0.00 C ATOM 649 CD LYS A 46 -2.069 4.502 9.613 1.00 0.00 C ATOM 650 CE LYS A 46 -1.224 4.972 10.787 1.00 0.00 C ATOM 651 NZ LYS A 46 -2.013 5.796 11.744 1.00 0.00 N ATOM 0 H LYS A 46 -2.403 2.964 5.166 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.568 1.603 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.126 3.082 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.499 1.792 8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.552 3.015 9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.745 4.133 7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.404 5.364 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.963 4.000 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.812 4.107 11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.380 5.554 10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.401 6.097 12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.386 6.635 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.804 5.233 12.117 1.00 0.00 H new ATOM 665 N VAL A 47 -2.043 -0.463 6.996 1.00 0.00 N ATOM 666 CA VAL A 47 -2.731 -1.717 6.713 1.00 0.00 C ATOM 667 C VAL A 47 -3.628 -2.126 7.876 1.00 0.00 C ATOM 668 O VAL A 47 -3.150 -2.394 8.979 1.00 0.00 O ATOM 669 CB VAL A 47 -1.731 -2.853 6.426 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.908 -3.167 7.666 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.462 -4.093 5.934 1.00 0.00 C ATOM 0 H VAL A 47 -1.292 -0.540 7.682 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.343 -1.550 5.827 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.050 -2.524 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.207 -3.972 7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.355 -2.278 7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.571 -3.476 8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.741 -4.886 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.167 -4.426 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.003 -3.857 5.017 1.00 0.00 H new ATOM 681 N HIS A 48 -4.932 -2.172 7.623 1.00 0.00 N ATOM 682 CA HIS A 48 -5.897 -2.549 8.649 1.00 0.00 C ATOM 683 C HIS A 48 -6.217 -4.039 8.573 1.00 0.00 C ATOM 684 O HIS A 48 -6.087 -4.658 7.517 1.00 0.00 O ATOM 685 CB HIS A 48 -7.180 -1.732 8.497 1.00 0.00 C ATOM 686 CG HIS A 48 -7.072 -0.340 9.040 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.472 0.004 10.314 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.603 0.797 8.475 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.256 1.293 10.508 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.728 1.797 9.407 1.00 0.00 N ATOM 0 H HIS A 48 -5.345 -1.953 6.716 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.455 -2.339 9.623 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.446 -1.682 7.441 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.993 -2.250 9.006 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.204 0.899 7.476 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.474 1.841 11.413 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.457 2.771 9.271 1.00 0.00 H new ATOM 698 N SER A 49 -6.635 -4.608 9.698 1.00 0.00 N ATOM 699 CA SER A 49 -6.969 -6.027 9.760 1.00 0.00 C ATOM 700 C SER A 49 -8.298 -6.241 10.478 1.00 0.00 C ATOM 701 O SER A 49 -8.688 -5.475 11.359 1.00 0.00 O ATOM 702 CB SER A 49 -5.860 -6.803 10.473 1.00 0.00 C ATOM 703 OG SER A 49 -6.367 -7.985 11.068 1.00 0.00 O ATOM 0 H SER A 49 -6.751 -4.109 10.580 1.00 0.00 H new ATOM 0 HA SER A 49 -7.063 -6.398 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.075 -7.058 9.761 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.405 -6.173 11.238 1.00 0.00 H new ATOM 0 HG SER A 49 -5.639 -8.464 11.516 1.00 0.00 H new ATOM 709 N PRO A 50 -9.012 -7.310 10.093 1.00 0.00 N ATOM 710 CA PRO A 50 -10.308 -7.652 10.687 1.00 0.00 C ATOM 711 C PRO A 50 -10.176 -8.136 12.126 1.00 0.00 C ATOM 712 O PRO A 50 -11.171 -8.448 12.780 1.00 0.00 O ATOM 713 CB PRO A 50 -10.823 -8.779 9.788 1.00 0.00 C ATOM 714 CG PRO A 50 -9.596 -9.390 9.205 1.00 0.00 C ATOM 715 CD PRO A 50 -8.608 -8.266 9.049 1.00 0.00 C ATOM 0 HA PRO A 50 -10.974 -6.791 10.738 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.396 -9.510 10.359 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.482 -8.394 9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.201 -10.169 9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.811 -9.857 8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.583 -8.609 9.193 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.659 -7.821 8.055 1.00 0.00 H new ATOM 723 N SER A 51 -8.941 -8.197 12.615 1.00 0.00 N ATOM 724 CA SER A 51 -8.679 -8.646 13.977 1.00 0.00 C ATOM 725 C SER A 51 -8.716 -7.474 14.953 1.00 0.00 C ATOM 726 O SER A 51 -8.939 -7.654 16.149 1.00 0.00 O ATOM 727 CB SER A 51 -7.321 -9.346 14.053 1.00 0.00 C ATOM 728 OG SER A 51 -7.306 -10.321 15.081 1.00 0.00 O ATOM 0 H SER A 51 -8.106 -7.941 12.088 1.00 0.00 H new ATOM 0 HA SER A 51 -9.460 -9.353 14.257 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.098 -9.818 13.096 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.538 -8.609 14.235 1.00 0.00 H new ATOM 0 HG SER A 51 -6.428 -10.755 15.108 1.00 0.00 H new ATOM 734 N GLY A 52 -8.495 -6.271 14.432 1.00 0.00 N ATOM 735 CA GLY A 52 -8.507 -5.086 15.269 1.00 0.00 C ATOM 736 C GLY A 52 -7.114 -4.546 15.529 1.00 0.00 C ATOM 737 O GLY A 52 -6.869 -3.910 16.553 1.00 0.00 O ATOM 0 H GLY A 52 -8.308 -6.096 13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.110 -4.313 14.791 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.986 -5.321 16.220 1.00 0.00 H new ATOM 741 N ALA A 53 -6.200 -4.801 14.599 1.00 0.00 N ATOM 742 CA ALA A 53 -4.825 -4.336 14.732 1.00 0.00 C ATOM 743 C ALA A 53 -4.464 -3.362 13.615 1.00 0.00 C ATOM 744 O ALA A 53 -4.903 -3.519 12.476 1.00 0.00 O ATOM 745 CB ALA A 53 -3.866 -5.517 14.736 1.00 0.00 C ATOM 0 H ALA A 53 -6.387 -5.327 13.745 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.737 -3.808 15.681 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.843 -5.155 14.836 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.102 -6.174 15.573 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.966 -6.070 13.802 1.00 0.00 H new ATOM 751 N VAL A 54 -3.662 -2.356 13.949 1.00 0.00 N ATOM 752 CA VAL A 54 -3.242 -1.357 12.974 1.00 0.00 C ATOM 753 C VAL A 54 -1.734 -1.406 12.752 1.00 0.00 C ATOM 754 O VAL A 54 -0.954 -1.119 13.660 1.00 0.00 O ATOM 755 CB VAL A 54 -3.639 0.063 13.418 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.178 1.091 12.396 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.142 0.152 13.636 1.00 0.00 C ATOM 0 H VAL A 54 -3.290 -2.211 14.888 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.752 -1.593 12.040 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.144 0.281 14.365 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.468 2.088 12.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.094 1.043 12.295 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.642 0.880 11.433 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.405 1.162 13.949 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.659 -0.086 12.706 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.440 -0.557 14.409 1.00 0.00 H new ATOM 767 N GLU A 55 -1.331 -1.770 11.539 1.00 0.00 N ATOM 768 CA GLU A 55 0.084 -1.856 11.198 1.00 0.00 C ATOM 769 C GLU A 55 0.485 -0.728 10.251 1.00 0.00 C ATOM 770 O GLU A 55 -0.342 -0.208 9.504 1.00 0.00 O ATOM 771 CB GLU A 55 0.396 -3.209 10.557 1.00 0.00 C ATOM 772 CG GLU A 55 0.778 -4.285 11.561 1.00 0.00 C ATOM 773 CD GLU A 55 -0.328 -4.570 12.559 1.00 0.00 C ATOM 774 OE1 GLU A 55 -1.492 -4.713 12.129 1.00 0.00 O ATOM 775 OE2 GLU A 55 -0.029 -4.651 13.768 1.00 0.00 O ATOM 0 H GLU A 55 -1.964 -2.010 10.776 1.00 0.00 H new ATOM 0 HA GLU A 55 0.659 -1.757 12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.474 -3.543 9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.210 -3.084 9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.027 -5.203 11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.675 -3.975 12.097 1.00 0.00 H new ATOM 782 N GLU A 56 1.761 -0.356 10.291 1.00 0.00 N ATOM 783 CA GLU A 56 2.271 0.711 9.438 1.00 0.00 C ATOM 784 C GLU A 56 3.086 0.140 8.281 1.00 0.00 C ATOM 785 O GLU A 56 3.869 -0.794 8.461 1.00 0.00 O ATOM 786 CB GLU A 56 3.132 1.678 10.253 1.00 0.00 C ATOM 787 CG GLU A 56 3.353 3.019 9.572 1.00 0.00 C ATOM 788 CD GLU A 56 3.892 4.073 10.520 1.00 0.00 C ATOM 789 OE1 GLU A 56 4.982 3.855 11.090 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.225 5.114 10.691 1.00 0.00 O ATOM 0 H GLU A 56 2.459 -0.777 10.904 1.00 0.00 H new ATOM 0 HA GLU A 56 1.418 1.252 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.659 1.845 11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.099 1.215 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.049 2.891 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.411 3.366 9.147 1.00 0.00 H new ATOM 797 N CYS A 57 2.896 0.707 7.095 1.00 0.00 N ATOM 798 CA CYS A 57 3.612 0.254 5.908 1.00 0.00 C ATOM 799 C CYS A 57 4.837 1.125 5.646 1.00 0.00 C ATOM 800 O CYS A 57 4.807 2.337 5.861 1.00 0.00 O ATOM 801 CB CYS A 57 2.687 0.274 4.690 1.00 0.00 C ATOM 802 SG CYS A 57 1.134 -0.622 4.928 1.00 0.00 S ATOM 0 H CYS A 57 2.252 1.481 6.930 1.00 0.00 H new ATOM 0 HA CYS A 57 3.947 -0.768 6.084 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.461 1.310 4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.215 -0.156 3.839 1.00 0.00 H new ATOM 0 HG CYS A 57 0.419 -0.546 3.845 1.00 0.00 H new ATOM 808 N HIS A 58 5.913 0.499 5.181 1.00 0.00 N ATOM 809 CA HIS A 58 7.149 1.217 4.890 1.00 0.00 C ATOM 810 C HIS A 58 6.952 2.192 3.734 1.00 0.00 C ATOM 811 O HIS A 58 6.805 1.783 2.582 1.00 0.00 O ATOM 812 CB HIS A 58 8.270 0.231 4.557 1.00 0.00 C ATOM 813 CG HIS A 58 9.568 0.894 4.213 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.510 0.321 3.385 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.078 2.091 4.589 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.544 1.135 3.268 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.306 2.216 3.988 1.00 0.00 N ATOM 0 H HIS A 58 5.954 -0.504 4.998 1.00 0.00 H new ATOM 0 HA HIS A 58 7.427 1.786 5.777 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.424 -0.432 5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.957 -0.393 3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.607 2.812 5.240 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.432 0.948 2.683 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.933 3.015 4.082 1.00 0.00 H new ATOM 825 N VAL A 59 6.949 3.483 4.048 1.00 0.00 N ATOM 826 CA VAL A 59 6.771 4.517 3.036 1.00 0.00 C ATOM 827 C VAL A 59 8.060 5.300 2.816 1.00 0.00 C ATOM 828 O VAL A 59 8.523 6.014 3.705 1.00 0.00 O ATOM 829 CB VAL A 59 5.648 5.496 3.426 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.481 6.569 2.360 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.342 4.748 3.650 1.00 0.00 C ATOM 0 H VAL A 59 7.068 3.838 4.997 1.00 0.00 H new ATOM 0 HA VAL A 59 6.496 4.010 2.111 1.00 0.00 H new ATOM 0 HB VAL A 59 5.925 5.985 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.683 7.252 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.413 7.124 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.227 6.101 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.560 5.456 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.057 4.230 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.472 4.021 4.452 1.00 0.00 H new ATOM 841 N SER A 60 8.635 5.161 1.626 1.00 0.00 N ATOM 842 CA SER A 60 9.874 5.853 1.290 1.00 0.00 C ATOM 843 C SER A 60 9.719 6.646 -0.004 1.00 0.00 C ATOM 844 O SER A 60 9.169 6.149 -0.987 1.00 0.00 O ATOM 845 CB SER A 60 11.022 4.852 1.153 1.00 0.00 C ATOM 846 OG SER A 60 12.275 5.481 1.358 1.00 0.00 O ATOM 0 H SER A 60 8.263 4.576 0.878 1.00 0.00 H new ATOM 0 HA SER A 60 10.103 6.548 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.894 4.046 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.997 4.399 0.162 1.00 0.00 H new ATOM 0 HG SER A 60 12.992 4.819 1.267 1.00 0.00 H new ATOM 852 N GLU A 61 10.208 7.882 0.004 1.00 0.00 N ATOM 853 CA GLU A 61 10.124 8.744 -1.169 1.00 0.00 C ATOM 854 C GLU A 61 11.349 8.570 -2.062 1.00 0.00 C ATOM 855 O GLU A 61 12.449 9.005 -1.719 1.00 0.00 O ATOM 856 CB GLU A 61 9.993 10.209 -0.744 1.00 0.00 C ATOM 857 CG GLU A 61 9.746 11.159 -1.904 1.00 0.00 C ATOM 858 CD GLU A 61 9.404 12.563 -1.445 1.00 0.00 C ATOM 859 OE1 GLU A 61 8.737 12.698 -0.398 1.00 0.00 O ATOM 860 OE2 GLU A 61 9.803 13.526 -2.132 1.00 0.00 O ATOM 0 H GLU A 61 10.666 8.309 0.809 1.00 0.00 H new ATOM 0 HA GLU A 61 9.239 8.457 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.174 10.300 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.903 10.511 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.633 11.193 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.932 10.773 -2.518 1.00 0.00 H new ATOM 867 N LEU A 62 11.151 7.930 -3.209 1.00 0.00 N ATOM 868 CA LEU A 62 12.238 7.697 -4.153 1.00 0.00 C ATOM 869 C LEU A 62 12.197 8.708 -5.293 1.00 0.00 C ATOM 870 O LEU A 62 13.233 9.209 -5.730 1.00 0.00 O ATOM 871 CB LEU A 62 12.157 6.275 -4.713 1.00 0.00 C ATOM 872 CG LEU A 62 11.730 5.188 -3.727 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.511 3.868 -4.449 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.768 5.029 -2.625 1.00 0.00 C ATOM 0 H LEU A 62 10.247 7.563 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 62 13.181 7.818 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.457 6.275 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.134 6.009 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 62 10.787 5.490 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.208 3.106 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.731 3.989 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.437 3.561 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.447 4.251 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.726 4.751 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.875 5.971 -2.088 1.00 0.00 H new ATOM 886 N GLU A 63 10.992 9.006 -5.770 1.00 0.00 N ATOM 887 CA GLU A 63 10.816 9.960 -6.859 1.00 0.00 C ATOM 888 C GLU A 63 9.827 11.055 -6.468 1.00 0.00 C ATOM 889 O GLU A 63 8.937 10.857 -5.641 1.00 0.00 O ATOM 890 CB GLU A 63 10.328 9.244 -8.120 1.00 0.00 C ATOM 891 CG GLU A 63 10.813 7.808 -8.230 1.00 0.00 C ATOM 892 CD GLU A 63 10.622 7.233 -9.620 1.00 0.00 C ATOM 893 OE1 GLU A 63 9.615 7.578 -10.273 1.00 0.00 O ATOM 894 OE2 GLU A 63 11.481 6.438 -10.056 1.00 0.00 O ATOM 0 H GLU A 63 10.124 8.601 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 63 11.782 10.422 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.238 9.253 -8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.663 9.800 -8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.869 7.764 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.277 7.191 -7.509 1.00 0.00 H new ATOM 901 N PRO A 64 9.987 12.240 -7.077 1.00 0.00 N ATOM 902 CA PRO A 64 9.119 13.390 -6.809 1.00 0.00 C ATOM 903 C PRO A 64 7.708 13.191 -7.352 1.00 0.00 C ATOM 904 O PRO A 64 6.779 13.901 -6.968 1.00 0.00 O ATOM 905 CB PRO A 64 9.817 14.539 -7.542 1.00 0.00 C ATOM 906 CG PRO A 64 10.598 13.878 -8.625 1.00 0.00 C ATOM 907 CD PRO A 64 11.027 12.547 -8.073 1.00 0.00 C ATOM 0 HA PRO A 64 8.990 13.563 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.094 15.246 -7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.467 15.100 -6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.992 13.751 -9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.462 14.480 -8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.075 11.786 -8.852 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.016 12.601 -7.618 1.00 0.00 H new ATOM 915 N ASP A 65 7.556 12.221 -8.247 1.00 0.00 N ATOM 916 CA ASP A 65 6.257 11.927 -8.842 1.00 0.00 C ATOM 917 C ASP A 65 5.899 10.455 -8.666 1.00 0.00 C ATOM 918 O ASP A 65 4.853 9.999 -9.129 1.00 0.00 O ATOM 919 CB ASP A 65 6.259 12.290 -10.328 1.00 0.00 C ATOM 920 CG ASP A 65 6.800 13.683 -10.583 1.00 0.00 C ATOM 921 OD1 ASP A 65 8.035 13.859 -10.527 1.00 0.00 O ATOM 922 OD2 ASP A 65 5.989 14.598 -10.837 1.00 0.00 O ATOM 0 H ASP A 65 8.316 11.625 -8.576 1.00 0.00 H new ATOM 0 HA ASP A 65 5.506 12.529 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.860 11.564 -10.876 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.243 12.221 -10.717 1.00 0.00 H new ATOM 927 N LYS A 66 6.775 9.715 -7.995 1.00 0.00 N ATOM 928 CA LYS A 66 6.553 8.293 -7.756 1.00 0.00 C ATOM 929 C LYS A 66 6.953 7.911 -6.335 1.00 0.00 C ATOM 930 O LYS A 66 8.039 8.260 -5.870 1.00 0.00 O ATOM 931 CB LYS A 66 7.345 7.457 -8.764 1.00 0.00 C ATOM 932 CG LYS A 66 6.695 6.123 -9.091 1.00 0.00 C ATOM 933 CD LYS A 66 7.728 5.082 -9.489 1.00 0.00 C ATOM 934 CE LYS A 66 7.246 3.673 -9.180 1.00 0.00 C ATOM 935 NZ LYS A 66 8.160 2.639 -9.740 1.00 0.00 N ATOM 0 H LYS A 66 7.646 10.076 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 66 5.489 8.090 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.464 8.029 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.345 7.277 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.135 5.769 -8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.979 6.255 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.942 5.169 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.661 5.273 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.170 3.544 -8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.245 3.533 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.797 1.692 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.213 2.746 -10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.109 2.756 -9.330 1.00 0.00 H new ATOM 949 N TYR A 67 6.071 7.191 -5.651 1.00 0.00 N ATOM 950 CA TYR A 67 6.333 6.762 -4.282 1.00 0.00 C ATOM 951 C TYR A 67 6.277 5.241 -4.168 1.00 0.00 C ATOM 952 O TYR A 67 5.698 4.565 -5.016 1.00 0.00 O ATOM 953 CB TYR A 67 5.321 7.394 -3.325 1.00 0.00 C ATOM 954 CG TYR A 67 5.653 8.820 -2.948 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.755 9.809 -3.918 1.00 0.00 C ATOM 956 CD2 TYR A 67 5.865 9.178 -1.622 1.00 0.00 C ATOM 957 CE1 TYR A 67 6.059 11.114 -3.578 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.167 10.480 -1.273 1.00 0.00 C ATOM 959 CZ TYR A 67 6.263 11.444 -2.255 1.00 0.00 C ATOM 960 OH TYR A 67 6.566 12.742 -1.912 1.00 0.00 O ATOM 0 H TYR A 67 5.169 6.892 -6.022 1.00 0.00 H new ATOM 0 HA TYR A 67 7.336 7.092 -4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.333 7.369 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.265 6.791 -2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.594 9.554 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.792 8.425 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.136 11.871 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.327 10.742 -0.237 1.00 0.00 H new ATOM 0 HH TYR A 67 7.057 12.750 -1.064 1.00 0.00 H new ATOM 970 N ALA A 68 6.885 4.711 -3.111 1.00 0.00 N ATOM 971 CA ALA A 68 6.903 3.272 -2.883 1.00 0.00 C ATOM 972 C ALA A 68 6.430 2.934 -1.473 1.00 0.00 C ATOM 973 O ALA A 68 6.899 3.514 -0.494 1.00 0.00 O ATOM 974 CB ALA A 68 8.300 2.718 -3.120 1.00 0.00 C ATOM 0 H ALA A 68 7.371 5.257 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 68 6.215 2.808 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.299 1.642 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.602 2.919 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.002 3.195 -2.436 1.00 0.00 H new ATOM 980 N VAL A 69 5.497 1.991 -1.377 1.00 0.00 N ATOM 981 CA VAL A 69 4.961 1.576 -0.086 1.00 0.00 C ATOM 982 C VAL A 69 5.028 0.061 0.075 1.00 0.00 C ATOM 983 O VAL A 69 4.267 -0.674 -0.554 1.00 0.00 O ATOM 984 CB VAL A 69 3.501 2.035 0.089 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.940 1.538 1.412 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.405 3.550 -0.005 1.00 0.00 C ATOM 0 H VAL A 69 5.097 1.501 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 69 5.577 2.048 0.679 1.00 0.00 H new ATOM 0 HB VAL A 69 2.904 1.605 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.908 1.872 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.973 0.449 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.536 1.936 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.367 3.857 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.015 4.002 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.765 3.878 -0.980 1.00 0.00 H new ATOM 996 N ARG A 70 5.944 -0.398 0.921 1.00 0.00 N ATOM 997 CA ARG A 70 6.112 -1.826 1.164 1.00 0.00 C ATOM 998 C ARG A 70 5.373 -2.252 2.430 1.00 0.00 C ATOM 999 O ARG A 70 5.388 -1.545 3.438 1.00 0.00 O ATOM 1000 CB ARG A 70 7.596 -2.173 1.286 1.00 0.00 C ATOM 1001 CG ARG A 70 7.882 -3.664 1.201 1.00 0.00 C ATOM 1002 CD ARG A 70 9.114 -4.042 2.009 1.00 0.00 C ATOM 1003 NE ARG A 70 8.929 -3.794 3.436 1.00 0.00 N ATOM 1004 CZ ARG A 70 9.913 -3.855 4.326 1.00 0.00 C ATOM 1005 NH1 ARG A 70 11.145 -4.152 3.937 1.00 0.00 N ATOM 1006 NH2 ARG A 70 9.666 -3.616 5.608 1.00 0.00 N ATOM 0 H ARG A 70 6.581 0.198 1.450 1.00 0.00 H new ATOM 0 HA ARG A 70 5.688 -2.366 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.146 -1.661 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.972 -1.793 2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.020 -4.222 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.027 -3.949 0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.342 -5.096 1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.972 -3.473 1.650 1.00 0.00 H new ATOM 0 HE ARG A 70 7.993 -3.561 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.339 -4.334 2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.899 -4.198 4.622 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.720 -3.385 5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.423 -3.663 6.291 1.00 0.00 H new ATOM 1020 N PHE A 71 4.727 -3.412 2.369 1.00 0.00 N ATOM 1021 CA PHE A 71 3.981 -3.931 3.510 1.00 0.00 C ATOM 1022 C PHE A 71 3.840 -5.448 3.421 1.00 0.00 C ATOM 1023 O PHE A 71 3.846 -6.020 2.331 1.00 0.00 O ATOM 1024 CB PHE A 71 2.598 -3.282 3.580 1.00 0.00 C ATOM 1025 CG PHE A 71 1.648 -3.778 2.527 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.721 -3.298 1.229 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.683 -4.723 2.836 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.849 -3.753 0.258 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.191 -5.181 1.869 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.109 -4.695 0.578 1.00 0.00 C ATOM 0 H PHE A 71 4.705 -4.010 1.543 1.00 0.00 H new ATOM 0 HA PHE A 71 4.535 -3.687 4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.167 -3.469 4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.707 -2.202 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.467 -2.560 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.613 -5.106 3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.917 -3.372 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.938 -5.919 2.122 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.792 -5.051 -0.179 1.00 0.00 H new ATOM 1040 N ILE A 72 3.712 -6.093 4.576 1.00 0.00 N ATOM 1041 CA ILE A 72 3.568 -7.542 4.629 1.00 0.00 C ATOM 1042 C ILE A 72 2.110 -7.943 4.824 1.00 0.00 C ATOM 1043 O ILE A 72 1.570 -7.899 5.929 1.00 0.00 O ATOM 1044 CB ILE A 72 4.412 -8.150 5.765 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.902 -7.939 5.492 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.101 -9.631 5.921 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.761 -8.011 6.736 1.00 0.00 C ATOM 0 H ILE A 72 3.705 -5.635 5.487 1.00 0.00 H new ATOM 0 HA ILE A 72 3.924 -7.930 3.675 1.00 0.00 H new ATOM 0 HB ILE A 72 4.158 -7.645 6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.243 -8.692 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.042 -6.967 5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.705 -10.047 6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.044 -9.758 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.330 -10.151 4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.805 -7.852 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.447 -7.241 7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.650 -8.992 7.198 1.00 0.00 H new ATOM 1059 N PRO A 73 1.455 -8.346 3.724 1.00 0.00 N ATOM 1060 CA PRO A 73 0.051 -8.766 3.748 1.00 0.00 C ATOM 1061 C PRO A 73 -0.145 -10.094 4.471 1.00 0.00 C ATOM 1062 O PRO A 73 -0.241 -11.147 3.840 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.303 -8.906 2.266 1.00 0.00 C ATOM 1064 CG PRO A 73 0.997 -9.178 1.591 1.00 0.00 C ATOM 1065 CD PRO A 73 2.036 -8.424 2.374 1.00 0.00 C ATOM 0 HA PRO A 73 -0.578 -8.056 4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.011 -9.718 2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.766 -7.997 1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.215 -10.246 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.974 -8.847 0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.993 -8.946 2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.214 -7.434 1.955 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.205 -10.037 5.798 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.391 -11.237 6.607 1.00 0.00 C ATOM 1075 C HIS A 74 -1.618 -11.102 7.504 1.00 0.00 C ATOM 1076 O HIS A 74 -1.591 -10.384 8.503 1.00 0.00 O ATOM 1077 CB HIS A 74 0.851 -11.501 7.458 1.00 0.00 C ATOM 1078 CG HIS A 74 1.047 -10.504 8.558 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.708 -9.307 8.380 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.662 -10.530 9.855 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.724 -8.641 9.520 1.00 0.00 C ATOM 1082 NE2 HIS A 74 1.095 -9.361 10.432 1.00 0.00 N ATOM 0 H HIS A 74 -0.128 -9.174 6.336 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.546 -12.080 5.933 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.779 -12.498 7.892 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.730 -11.496 6.814 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.116 -11.322 10.345 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.175 -7.673 9.680 1.00 0.00 H new ATOM 0 HE2 HIS A 74 0.954 -9.093 11.406 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.691 -11.797 7.140 1.00 0.00 N ATOM 1091 CA GLU A 75 -3.927 -11.753 7.912 1.00 0.00 C ATOM 1092 C GLU A 75 -4.640 -13.102 7.875 1.00 0.00 C ATOM 1093 O GLU A 75 -4.186 -14.038 7.218 1.00 0.00 O ATOM 1094 CB GLU A 75 -4.852 -10.660 7.373 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.377 -9.251 7.686 1.00 0.00 C ATOM 1096 CD GLU A 75 -5.313 -8.186 7.149 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -6.465 -8.527 6.808 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -4.894 -7.013 7.068 1.00 0.00 O ATOM 0 H GLU A 75 -2.729 -12.397 6.316 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.671 -11.525 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.942 -10.772 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.848 -10.800 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.282 -9.135 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.384 -9.104 7.261 1.00 0.00 H new ATOM 1105 N ASN A 76 -5.760 -13.192 8.586 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.536 -14.426 8.636 1.00 0.00 C ATOM 1107 C ASN A 76 -7.764 -14.333 7.736 1.00 0.00 C ATOM 1108 O ASN A 76 -8.668 -15.164 7.814 1.00 0.00 O ATOM 1109 CB ASN A 76 -6.964 -14.726 10.073 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.196 -13.464 10.882 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -6.462 -13.176 11.828 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.221 -12.705 10.513 1.00 0.00 N ATOM 0 H ASN A 76 -6.150 -12.426 9.135 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.904 -15.238 8.276 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.878 -15.320 10.061 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.198 -15.330 10.559 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.427 -11.844 11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.803 -12.983 9.723 1.00 0.00 H new ATOM 1119 N GLY A 77 -7.788 -13.316 6.880 1.00 0.00 N ATOM 1120 CA GLY A 77 -8.910 -13.133 5.977 1.00 0.00 C ATOM 1121 C GLY A 77 -8.622 -12.110 4.895 1.00 0.00 C ATOM 1122 O GLY A 77 -7.783 -12.337 4.024 1.00 0.00 O ATOM 0 H GLY A 77 -7.051 -12.616 6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.159 -14.088 5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.784 -12.818 6.547 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.322 -10.981 4.949 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.138 -9.920 3.967 1.00 0.00 C ATOM 1128 C VAL A 78 -8.459 -8.705 4.590 1.00 0.00 C ATOM 1129 O VAL A 78 -8.639 -8.420 5.774 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.482 -9.485 3.353 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.278 -8.326 2.389 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.153 -10.658 2.655 1.00 0.00 C ATOM 0 H VAL A 78 -10.022 -10.778 5.663 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.501 -10.324 3.180 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.137 -9.147 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.238 -8.032 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.843 -7.481 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.606 -8.633 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.101 -10.333 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.505 -11.028 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.335 -11.455 3.376 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.678 -7.992 3.784 1.00 0.00 N ATOM 1143 CA HIS A 79 -6.973 -6.806 4.257 1.00 0.00 C ATOM 1144 C HIS A 79 -7.660 -5.535 3.769 1.00 0.00 C ATOM 1145 O HIS A 79 -8.444 -5.565 2.819 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.520 -6.829 3.782 1.00 0.00 C ATOM 1147 CG HIS A 79 -4.862 -8.166 3.929 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.785 -8.388 4.762 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.135 -9.356 3.345 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.424 -9.656 4.682 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.228 -10.266 3.830 1.00 0.00 N ATOM 0 H HIS A 79 -7.518 -8.215 2.802 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.992 -6.812 5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.484 -6.529 2.735 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.951 -6.089 4.345 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.337 -7.683 5.348 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.920 -9.553 2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.609 -10.116 5.222 1.00 0.00 H new ATOM 1159 N THR A 80 -7.362 -4.417 4.424 1.00 0.00 N ATOM 1160 CA THR A 80 -7.952 -3.136 4.059 1.00 0.00 C ATOM 1161 C THR A 80 -6.913 -2.022 4.094 1.00 0.00 C ATOM 1162 O THR A 80 -6.460 -1.616 5.165 1.00 0.00 O ATOM 1163 CB THR A 80 -9.117 -2.766 4.997 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.030 -3.864 5.101 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.852 -1.535 4.487 1.00 0.00 C ATOM 0 H THR A 80 -6.715 -4.374 5.211 1.00 0.00 H new ATOM 0 HA THR A 80 -8.333 -3.242 3.043 1.00 0.00 H new ATOM 0 HB THR A 80 -8.705 -2.542 5.981 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.767 -3.621 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.670 -1.293 5.165 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.161 -0.693 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.252 -1.736 3.493 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.539 -1.530 2.917 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.554 -0.461 2.815 1.00 0.00 C ATOM 1175 C ILE A 81 -6.192 0.901 3.072 1.00 0.00 C ATOM 1176 O ILE A 81 -7.247 1.217 2.522 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.881 -0.447 1.430 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.285 -1.820 1.114 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.805 0.628 1.375 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -4.153 -2.096 -0.367 1.00 0.00 C ATOM 0 H ILE A 81 -6.903 -1.855 2.021 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.798 -0.654 3.576 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.636 -0.218 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.302 -1.896 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.910 -2.591 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.338 0.626 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.255 1.603 1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.050 0.426 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.724 -3.087 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.137 -2.053 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.503 -1.347 -0.820 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.543 1.703 3.909 1.00 0.00 N ATOM 1193 CA ASP A 82 -6.044 3.032 4.237 1.00 0.00 C ATOM 1194 C ASP A 82 -5.104 4.113 3.711 1.00 0.00 C ATOM 1195 O ASP A 82 -4.052 4.372 4.295 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.214 3.178 5.750 1.00 0.00 C ATOM 1197 CG ASP A 82 -6.267 4.628 6.189 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -7.370 5.214 6.166 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -5.207 5.176 6.556 1.00 0.00 O ATOM 0 H ASP A 82 -4.669 1.456 4.373 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.015 3.155 3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.129 2.674 6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.388 2.678 6.256 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.490 4.739 2.604 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.682 5.791 2.000 1.00 0.00 C ATOM 1206 C VAL A 83 -5.302 7.164 2.235 1.00 0.00 C ATOM 1207 O VAL A 83 -6.421 7.435 1.801 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.514 5.569 0.485 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.583 6.616 -0.108 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.998 4.165 0.207 1.00 0.00 C ATOM 0 H VAL A 83 -6.357 4.536 2.107 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.703 5.751 2.477 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.489 5.674 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.476 6.443 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.999 7.609 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.606 6.546 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.885 4.025 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.032 4.029 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.706 3.433 0.596 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.566 8.028 2.926 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.041 9.375 3.219 1.00 0.00 C ATOM 1222 C LYS A 84 -4.110 10.423 2.619 1.00 0.00 C ATOM 1223 O LYS A 84 -2.887 10.307 2.710 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.151 9.581 4.732 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.416 8.995 5.335 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.426 9.130 6.849 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.538 8.302 7.475 1.00 0.00 C ATOM 1228 NZ LYS A 84 -8.037 8.910 8.739 1.00 0.00 N ATOM 0 H LYS A 84 -3.638 7.819 3.294 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.027 9.491 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.285 9.129 5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.116 10.649 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.287 9.500 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.497 7.943 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.464 8.811 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.554 10.178 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.362 8.207 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.172 7.295 7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.794 8.316 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.257 8.978 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.410 9.861 8.543 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.695 11.447 2.007 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.917 12.517 1.392 1.00 0.00 C ATOM 1244 C PHE A 85 -4.437 13.885 1.823 1.00 0.00 C ATOM 1245 O PHE A 85 -5.394 14.405 1.251 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.963 12.398 -0.132 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.980 13.292 -0.833 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.620 13.035 -0.766 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.416 14.389 -1.559 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.714 13.857 -1.410 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.514 15.213 -2.205 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.161 14.946 -2.131 1.00 0.00 C ATOM 0 H PHE A 85 -5.705 11.559 1.923 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.884 12.419 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.766 11.364 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.969 12.637 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.264 12.184 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.473 14.602 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.344 13.647 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.867 16.065 -2.767 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.454 15.588 -2.636 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.800 14.461 2.837 1.00 0.00 N ATOM 1263 CA ASN A 86 -4.199 15.768 3.347 1.00 0.00 C ATOM 1264 C ASN A 86 -5.552 15.690 4.047 1.00 0.00 C ATOM 1265 O ASN A 86 -6.290 16.672 4.106 1.00 0.00 O ATOM 1266 CB ASN A 86 -4.261 16.786 2.206 1.00 0.00 C ATOM 1267 CG ASN A 86 -3.964 18.198 2.674 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -4.811 18.853 3.282 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -2.757 18.674 2.391 1.00 0.00 N ATOM 0 H ASN A 86 -3.006 14.044 3.322 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.453 16.090 4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.546 16.505 1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.251 16.758 1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.500 19.618 2.680 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.086 18.096 1.885 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.870 14.513 4.577 1.00 0.00 N ATOM 1277 CA GLY A 87 -7.133 14.327 5.267 1.00 0.00 C ATOM 1278 C GLY A 87 -8.276 14.032 4.315 1.00 0.00 C ATOM 1279 O GLY A 87 -9.272 14.755 4.288 1.00 0.00 O ATOM 0 H GLY A 87 -5.275 13.685 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.037 13.508 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.365 15.224 5.842 1.00 0.00 H new ATOM 1283 N SER A 88 -8.131 12.969 3.531 1.00 0.00 N ATOM 1284 CA SER A 88 -9.157 12.583 2.570 1.00 0.00 C ATOM 1285 C SER A 88 -8.825 11.239 1.930 1.00 0.00 C ATOM 1286 O SER A 88 -7.761 11.068 1.334 1.00 0.00 O ATOM 1287 CB SER A 88 -9.300 13.655 1.487 1.00 0.00 C ATOM 1288 OG SER A 88 -10.528 13.520 0.794 1.00 0.00 O ATOM 0 H SER A 88 -7.313 12.360 3.542 1.00 0.00 H new ATOM 0 HA SER A 88 -10.102 12.487 3.104 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.242 14.644 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.471 13.578 0.783 1.00 0.00 H new ATOM 0 HG SER A 88 -10.595 14.218 0.109 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.743 10.286 2.058 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.549 8.956 1.492 1.00 0.00 C ATOM 1296 C HIS A 89 -9.553 9.008 -0.033 1.00 0.00 C ATOM 1297 O HIS A 89 -10.570 9.322 -0.651 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.640 8.005 1.985 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.419 7.513 3.382 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.921 6.260 3.669 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -10.631 8.115 4.576 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.838 6.111 4.979 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -10.262 7.223 5.552 1.00 0.00 N ATOM 0 H HIS A 89 -10.629 10.410 2.549 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.578 8.586 1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.603 8.513 1.936 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.696 7.150 1.312 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.658 5.558 2.978 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.018 9.111 4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.484 5.230 5.494 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.409 8.699 -0.634 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.280 8.710 -2.086 1.00 0.00 C ATOM 1313 C VAL A 90 -9.328 7.813 -2.737 1.00 0.00 C ATOM 1314 O VAL A 90 -9.824 6.871 -2.120 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.879 8.250 -2.530 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.823 9.249 -2.084 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.577 6.862 -1.984 1.00 0.00 C ATOM 0 H VAL A 90 -7.557 8.438 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.434 9.739 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.860 8.199 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.840 8.907 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.032 10.222 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.839 9.335 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.583 6.552 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.614 6.883 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.317 6.155 -2.358 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.659 8.113 -3.989 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.647 7.333 -4.726 1.00 0.00 C ATOM 1329 C VAL A 91 -10.353 5.840 -4.627 1.00 0.00 C ATOM 1330 O VAL A 91 -9.212 5.409 -4.789 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.689 7.739 -6.211 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -9.303 7.642 -6.831 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -11.684 6.876 -6.971 1.00 0.00 C ATOM 0 H VAL A 91 -9.258 8.890 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.616 7.541 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.018 8.776 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.353 7.933 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.620 8.307 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.942 6.616 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.701 7.177 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.388 5.830 -6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.678 7.002 -6.541 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.392 5.054 -4.360 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.224 3.617 -4.245 1.00 0.00 C ATOM 1345 C GLY A 92 -10.851 3.188 -2.840 1.00 0.00 C ATOM 1346 O GLY A 92 -10.729 1.996 -2.560 1.00 0.00 O ATOM 0 H GLY A 92 -12.346 5.387 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.149 3.121 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.451 3.288 -4.939 1.00 0.00 H new ATOM 1350 N SER A 93 -10.667 4.162 -1.954 1.00 0.00 N ATOM 1351 CA SER A 93 -10.299 3.879 -0.572 1.00 0.00 C ATOM 1352 C SER A 93 -11.515 3.979 0.345 1.00 0.00 C ATOM 1353 O SER A 93 -12.387 4.830 0.171 1.00 0.00 O ATOM 1354 CB SER A 93 -9.212 4.847 -0.103 1.00 0.00 C ATOM 1355 OG SER A 93 -8.366 4.238 0.858 1.00 0.00 O ATOM 0 H SER A 93 -10.767 5.154 -2.169 1.00 0.00 H new ATOM 0 HA SER A 93 -9.913 2.861 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.620 5.175 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.673 5.737 0.326 1.00 0.00 H new ATOM 0 HG SER A 93 -7.893 3.485 0.447 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.575 3.088 1.345 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.543 2.070 1.562 1.00 0.00 C ATOM 1363 C PRO A 94 -10.549 0.998 0.477 1.00 0.00 C ATOM 1364 O PRO A 94 -11.561 0.780 -0.188 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.921 1.462 2.915 1.00 0.00 C ATOM 1366 CG PRO A 94 -12.387 1.700 3.040 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.655 3.005 2.342 1.00 0.00 C ATOM 0 HA PRO A 94 -9.540 2.496 1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.688 0.398 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.372 1.935 3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.954 0.889 2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.687 1.748 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.638 3.014 1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.626 3.845 3.036 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.412 0.332 0.303 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.286 -0.717 -0.703 1.00 0.00 C ATOM 1377 C PHE A 95 -9.377 -2.098 -0.061 1.00 0.00 C ATOM 1378 O PHE A 95 -8.952 -2.296 1.077 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.961 -0.576 -1.454 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.801 0.747 -2.145 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.250 0.924 -3.444 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.202 1.815 -1.496 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.103 2.141 -4.083 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.053 3.035 -2.130 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.505 3.198 -3.424 1.00 0.00 C ATOM 0 H PHE A 95 -8.565 0.500 0.845 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.108 -0.610 -1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.138 -0.712 -0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.885 -1.374 -2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.720 0.102 -3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.847 1.693 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.455 2.265 -5.096 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.584 3.859 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.391 4.150 -3.921 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.934 -3.052 -0.800 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.081 -4.416 -0.307 1.00 0.00 C ATOM 1397 C LYS A 96 -9.245 -5.387 -1.134 1.00 0.00 C ATOM 1398 O LYS A 96 -9.238 -5.325 -2.364 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.552 -4.836 -0.340 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.398 -4.173 0.733 1.00 0.00 C ATOM 1401 CD LYS A 96 -13.866 -4.542 0.593 1.00 0.00 C ATOM 1402 CE LYS A 96 -14.584 -4.489 1.932 1.00 0.00 C ATOM 1403 NZ LYS A 96 -15.741 -5.426 1.978 1.00 0.00 N ATOM 0 H LYS A 96 -10.291 -2.905 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.724 -4.444 0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.968 -4.596 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.615 -5.918 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.039 -4.473 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.286 -3.091 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.349 -3.860 -0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.952 -5.544 0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.884 -4.737 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.932 -3.473 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.204 -5.360 2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.422 -5.174 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.406 -6.399 1.826 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.541 -6.285 -0.452 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.703 -7.271 -1.124 1.00 0.00 C ATOM 1419 C VAL A 97 -7.675 -8.585 -0.353 1.00 0.00 C ATOM 1420 O VAL A 97 -7.463 -8.601 0.860 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.261 -6.758 -1.296 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.255 -5.392 -1.965 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.551 -6.706 0.048 1.00 0.00 C ATOM 0 H VAL A 97 -8.534 -6.350 0.566 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.140 -7.440 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.721 -7.453 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.227 -5.047 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.723 -5.466 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.811 -4.684 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.533 -6.341 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.088 -6.034 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.522 -7.705 0.483 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.890 -9.687 -1.064 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.891 -11.008 -0.447 1.00 0.00 C ATOM 1435 C ARG A 98 -6.538 -11.691 -0.624 1.00 0.00 C ATOM 1436 O ARG A 98 -5.985 -11.720 -1.723 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.996 -11.876 -1.050 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.421 -13.029 -0.156 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.774 -13.586 -0.571 1.00 0.00 C ATOM 1440 NE ARG A 98 -10.687 -14.382 -1.792 1.00 0.00 N ATOM 1441 CZ ARG A 98 -11.732 -14.974 -2.360 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -12.937 -14.859 -1.820 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -11.573 -15.682 -3.471 1.00 0.00 N ATOM 0 H ARG A 98 -8.066 -9.691 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.079 -10.883 0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.864 -11.251 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.653 -12.275 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.672 -13.820 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.468 -12.690 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.175 -14.201 0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.473 -12.764 -0.723 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.774 -14.489 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.064 -14.315 -0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.738 -15.314 -2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.647 -15.772 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.376 -16.136 -3.906 1.00 0.00 H new ATOM 1457 N VAL A 99 -6.010 -12.239 0.466 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.723 -12.923 0.432 1.00 0.00 C ATOM 1459 C VAL A 99 -4.875 -14.356 -0.067 1.00 0.00 C ATOM 1460 O VAL A 99 -5.789 -15.071 0.339 1.00 0.00 O ATOM 1461 CB VAL A 99 -4.060 -12.942 1.822 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.675 -14.027 2.692 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.557 -13.138 1.692 1.00 0.00 C ATOM 0 H VAL A 99 -6.454 -12.222 1.384 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.087 -12.367 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.237 -11.980 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.194 -14.025 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.741 -13.836 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.531 -14.998 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.104 -13.149 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.356 -14.085 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.133 -12.321 1.109 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.970 -14.769 -0.949 1.00 0.00 N ATOM 1474 CA GLY A 100 -4.021 -16.115 -1.489 1.00 0.00 C ATOM 1475 C GLY A 100 -3.659 -16.164 -2.960 1.00 0.00 C ATOM 1476 O GLY A 100 -3.836 -15.183 -3.682 1.00 0.00 O ATOM 0 H GLY A 100 -3.203 -14.196 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.338 -16.754 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.023 -16.521 -1.351 1.00 0.00 H new ATOM 1480 N GLU A 101 -3.150 -17.309 -3.405 1.00 0.00 N ATOM 1481 CA GLU A 101 -2.760 -17.480 -4.800 1.00 0.00 C ATOM 1482 C GLU A 101 -3.852 -18.201 -5.585 1.00 0.00 C ATOM 1483 O GLU A 101 -4.462 -19.160 -5.111 1.00 0.00 O ATOM 1484 CB GLU A 101 -1.448 -18.261 -4.893 1.00 0.00 C ATOM 1485 CG GLU A 101 -1.008 -18.543 -6.320 1.00 0.00 C ATOM 1486 CD GLU A 101 -0.147 -17.435 -6.895 1.00 0.00 C ATOM 1487 OE1 GLU A 101 0.082 -16.433 -6.185 1.00 0.00 O ATOM 1488 OE2 GLU A 101 0.297 -17.568 -8.054 1.00 0.00 O ATOM 0 H GLU A 101 -2.998 -18.131 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.617 -16.491 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.664 -17.700 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.559 -19.207 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.452 -19.480 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.889 -18.677 -6.948 1.00 0.00 H new ATOM 1495 N PRO A 102 -4.104 -17.730 -6.815 1.00 0.00 N ATOM 1496 CA PRO A 102 -5.123 -18.315 -7.693 1.00 0.00 C ATOM 1497 C PRO A 102 -4.727 -19.698 -8.198 1.00 0.00 C ATOM 1498 O PRO A 102 -3.716 -19.856 -8.879 1.00 0.00 O ATOM 1499 CB PRO A 102 -5.200 -17.323 -8.856 1.00 0.00 C ATOM 1500 CG PRO A 102 -3.866 -16.659 -8.877 1.00 0.00 C ATOM 1501 CD PRO A 102 -3.415 -16.591 -7.444 1.00 0.00 C ATOM 0 HA PRO A 102 -6.071 -18.462 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.403 -17.832 -9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.000 -16.599 -8.706 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.158 -17.225 -9.483 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.933 -15.662 -9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.332 -16.680 -7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.695 -15.646 -6.979 1.00 0.00 H new ATOM 1509 N GLY A 103 -5.534 -20.700 -7.858 1.00 0.00 N ATOM 1510 CA GLY A 103 -5.251 -22.058 -8.286 1.00 0.00 C ATOM 1511 C GLY A 103 -6.401 -22.673 -9.058 1.00 0.00 C ATOM 1512 O GLY A 103 -7.124 -23.521 -8.535 1.00 0.00 O ATOM 0 H GLY A 103 -6.378 -20.595 -7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.357 -22.061 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.033 -22.673 -7.413 1.00 0.00 H new ATOM 1516 N GLN A 104 -6.572 -22.245 -10.305 1.00 0.00 N ATOM 1517 CA GLN A 104 -7.644 -22.759 -11.148 1.00 0.00 C ATOM 1518 C GLN A 104 -7.297 -24.143 -11.688 1.00 0.00 C ATOM 1519 O GLN A 104 -6.886 -24.286 -12.839 1.00 0.00 O ATOM 1520 CB GLN A 104 -7.913 -21.799 -12.309 1.00 0.00 C ATOM 1521 CG GLN A 104 -9.352 -21.822 -12.796 1.00 0.00 C ATOM 1522 CD GLN A 104 -10.321 -21.244 -11.783 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -10.286 -20.049 -11.485 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -11.191 -22.090 -11.246 1.00 0.00 N ATOM 0 H GLN A 104 -5.982 -21.544 -10.753 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.543 -22.842 -10.538 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -7.660 -20.786 -11.998 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.253 -22.052 -13.139 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.426 -21.258 -13.726 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -9.639 -22.849 -13.022 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.184 -23.072 -11.522 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.866 -21.758 -10.557 1.00 0.00 H new ATOM 1533 N ALA A 105 -7.464 -25.159 -10.847 1.00 0.00 N ATOM 1534 CA ALA A 105 -7.170 -26.531 -11.240 1.00 0.00 C ATOM 1535 C ALA A 105 -8.127 -27.511 -10.570 1.00 0.00 C ATOM 1536 O ALA A 105 -8.289 -27.500 -9.351 1.00 0.00 O ATOM 1537 CB ALA A 105 -5.729 -26.881 -10.899 1.00 0.00 C ATOM 0 H ALA A 105 -7.801 -25.057 -9.890 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.306 -26.611 -12.319 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.524 -27.909 -11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -5.056 -26.207 -11.429 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.574 -26.778 -9.825 1.00 0.00 H new ATOM 1543 N GLY A 106 -8.760 -28.358 -11.377 1.00 0.00 N ATOM 1544 CA GLY A 106 -9.694 -29.332 -10.843 1.00 0.00 C ATOM 1545 C GLY A 106 -9.183 -30.754 -10.966 1.00 0.00 C ATOM 1546 O GLY A 106 -8.298 -31.169 -10.218 1.00 0.00 O ATOM 0 H GLY A 106 -8.643 -28.387 -12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.887 -29.108 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -10.645 -29.244 -11.368 1.00 0.00 H new TER 1550 GLY A 106