USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 932 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 HD1:sc= -1.06 K(o=-1.1,f=-2.2) USER MOD Set 1.2: A 90 GLN :FLIP amide:sc= 0 F(o=-2.2,f=-1.1) USER MOD Set 2.1: A 88 SER OG : rot 180:sc=0.000791 USER MOD Set 2.2: A 91 ASN : amide:sc= -0.0601 K(o=-0.059,f=-2!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0906 (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 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -91:sc= 0.697 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.37 X(o=-0.37,f=0.063) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= 0.172 (180deg=0.022) USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= -0.166 (180deg=-0.875) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.806 K(o=0.81,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0304) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -156:sc= -0.974 (180deg=-3.07!) USER MOD Single : A 52 SER OG : rot -160:sc= 0.976 USER MOD Single : A 59 ASN : amide:sc= -4.62! C(o=-4.6!,f=-11!) USER MOD Single : A 70 MET CE :methyl 135:sc= -4.74! (180deg=-6.58!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.818 F(o=-1.7,f=-0.82) USER MOD Single : A 81 ASN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.0987 K(o=-0.099,f=-0.62) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -17:sc= 1.13 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -3.25! C(o=-3.2!,f=-19!) USER MOD Single : A 115 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 116 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.55) USER MOD Single : A 117 MET CE :methyl -113:sc= -6.29! (180deg=-11.8!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.592 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.530 -28.979 25.017 1.00 0.00 N ATOM 2 CA GLY A 1 -8.721 -29.746 24.089 1.00 0.00 C ATOM 3 C GLY A 1 -7.845 -28.866 23.219 1.00 0.00 C ATOM 4 O GLY A 1 -7.842 -27.644 23.364 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.309 -29.268 25.991 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.325 -27.966 24.901 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.537 -29.152 24.825 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.093 -30.440 24.647 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.373 -30.346 23.454 1.00 0.00 H new ATOM 8 N SER A 2 -7.099 -29.489 22.312 1.00 0.00 N ATOM 9 CA SER A 2 -6.211 -28.755 21.418 1.00 0.00 C ATOM 10 C SER A 2 -7.010 -27.941 20.405 1.00 0.00 C ATOM 11 O SER A 2 -7.257 -28.392 19.287 1.00 0.00 O ATOM 12 CB SER A 2 -5.274 -29.720 20.689 1.00 0.00 C ATOM 13 OG SER A 2 -4.607 -30.572 21.604 1.00 0.00 O ATOM 0 H SER A 2 -7.092 -30.500 22.177 1.00 0.00 H new ATOM 0 HA SER A 2 -5.616 -28.069 22.021 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.844 -30.319 19.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.541 -29.155 20.113 1.00 0.00 H new ATOM 0 HG SER A 2 -4.016 -31.180 21.113 1.00 0.00 H new ATOM 19 N SER A 3 -7.413 -26.739 20.806 1.00 0.00 N ATOM 20 CA SER A 3 -8.188 -25.863 19.936 1.00 0.00 C ATOM 21 C SER A 3 -7.781 -24.406 20.130 1.00 0.00 C ATOM 22 O SER A 3 -7.371 -24.004 21.218 1.00 0.00 O ATOM 23 CB SER A 3 -9.684 -26.028 20.213 1.00 0.00 C ATOM 24 OG SER A 3 -10.453 -25.171 19.386 1.00 0.00 O ATOM 0 H SER A 3 -7.215 -26.350 21.728 1.00 0.00 H new ATOM 0 HA SER A 3 -7.984 -26.144 18.903 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.977 -27.064 20.041 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.890 -25.808 21.261 1.00 0.00 H new ATOM 0 HG SER A 3 -11.405 -25.296 19.581 1.00 0.00 H new ATOM 30 N GLY A 4 -7.897 -23.618 19.065 1.00 0.00 N ATOM 31 CA GLY A 4 -7.538 -22.214 19.138 1.00 0.00 C ATOM 32 C GLY A 4 -6.840 -21.729 17.883 1.00 0.00 C ATOM 33 O GLY A 4 -5.936 -22.390 17.372 1.00 0.00 O ATOM 0 H GLY A 4 -8.233 -23.927 18.153 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.437 -21.620 19.303 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.887 -22.053 19.998 1.00 0.00 H new ATOM 37 N SER A 5 -7.261 -20.571 17.384 1.00 0.00 N ATOM 38 CA SER A 5 -6.674 -20.000 16.177 1.00 0.00 C ATOM 39 C SER A 5 -5.526 -19.057 16.526 1.00 0.00 C ATOM 40 O SER A 5 -5.733 -18.008 17.137 1.00 0.00 O ATOM 41 CB SER A 5 -7.738 -19.251 15.372 1.00 0.00 C ATOM 42 OG SER A 5 -8.830 -20.098 15.058 1.00 0.00 O ATOM 0 H SER A 5 -8.006 -20.010 17.797 1.00 0.00 H new ATOM 0 HA SER A 5 -6.280 -20.817 15.572 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.092 -18.392 15.942 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.298 -18.864 14.453 1.00 0.00 H new ATOM 0 HG SER A 5 -9.497 -19.595 14.545 1.00 0.00 H new ATOM 48 N SER A 6 -4.316 -19.438 16.132 1.00 0.00 N ATOM 49 CA SER A 6 -3.133 -18.629 16.405 1.00 0.00 C ATOM 50 C SER A 6 -2.427 -18.245 15.108 1.00 0.00 C ATOM 51 O SER A 6 -2.528 -18.944 14.102 1.00 0.00 O ATOM 52 CB SER A 6 -2.169 -19.389 17.318 1.00 0.00 C ATOM 53 OG SER A 6 -1.065 -18.579 17.681 1.00 0.00 O ATOM 0 H SER A 6 -4.128 -20.302 15.623 1.00 0.00 H new ATOM 0 HA SER A 6 -3.455 -17.717 16.907 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.695 -19.716 18.215 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.814 -20.287 16.811 1.00 0.00 H new ATOM 0 HG SER A 6 -0.465 -19.087 18.266 1.00 0.00 H new ATOM 59 N GLY A 7 -1.709 -17.126 15.142 1.00 0.00 N ATOM 60 CA GLY A 7 -0.996 -16.667 13.965 1.00 0.00 C ATOM 61 C GLY A 7 -0.522 -15.233 14.096 1.00 0.00 C ATOM 62 O GLY A 7 -0.990 -14.349 13.379 1.00 0.00 O ATOM 0 H GLY A 7 -1.609 -16.530 15.964 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.138 -17.315 13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.646 -16.753 13.094 1.00 0.00 H new ATOM 66 N ASP A 8 0.408 -15.001 15.017 1.00 0.00 N ATOM 67 CA ASP A 8 0.945 -13.664 15.241 1.00 0.00 C ATOM 68 C ASP A 8 2.067 -13.356 14.254 1.00 0.00 C ATOM 69 O ASP A 8 3.064 -12.729 14.609 1.00 0.00 O ATOM 70 CB ASP A 8 1.460 -13.531 16.675 1.00 0.00 C ATOM 71 CG ASP A 8 0.527 -14.169 17.686 1.00 0.00 C ATOM 72 OD1 ASP A 8 -0.702 -13.988 17.557 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.027 -14.851 18.605 1.00 0.00 O ATOM 0 H ASP A 8 0.805 -15.722 15.620 1.00 0.00 H new ATOM 0 HA ASP A 8 0.140 -12.946 15.084 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.444 -13.995 16.749 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.586 -12.476 16.916 1.00 0.00 H new ATOM 78 N ALA A 9 1.896 -13.802 13.014 1.00 0.00 N ATOM 79 CA ALA A 9 2.893 -13.574 11.976 1.00 0.00 C ATOM 80 C ALA A 9 2.602 -12.289 11.208 1.00 0.00 C ATOM 81 O ALA A 9 3.411 -11.844 10.394 1.00 0.00 O ATOM 82 CB ALA A 9 2.945 -14.760 11.024 1.00 0.00 C ATOM 0 H ALA A 9 1.076 -14.323 12.704 1.00 0.00 H new ATOM 0 HA ALA A 9 3.865 -13.466 12.458 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.694 -14.576 10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.209 -15.660 11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.970 -14.894 10.557 1.00 0.00 H new ATOM 88 N PHE A 10 1.442 -11.697 11.472 1.00 0.00 N ATOM 89 CA PHE A 10 1.043 -10.464 10.804 1.00 0.00 C ATOM 90 C PHE A 10 1.177 -9.269 11.744 1.00 0.00 C ATOM 91 O PHE A 10 0.617 -8.201 11.493 1.00 0.00 O ATOM 92 CB PHE A 10 -0.398 -10.573 10.302 1.00 0.00 C ATOM 93 CG PHE A 10 -0.565 -11.543 9.167 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.341 -11.145 7.859 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.946 -12.853 9.409 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.495 -12.035 6.813 1.00 0.00 C ATOM 97 CE2 PHE A 10 -1.101 -13.748 8.367 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.875 -13.339 7.068 1.00 0.00 C ATOM 0 H PHE A 10 0.762 -12.051 12.144 1.00 0.00 H new ATOM 0 HA PHE A 10 1.706 -10.311 9.952 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.040 -10.879 11.128 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.738 -9.588 9.981 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.043 -10.127 7.654 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.124 -13.179 10.423 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.319 -11.712 5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.399 -14.766 8.569 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.995 -14.037 6.253 1.00 0.00 H new ATOM 108 N THR A 11 1.922 -9.457 12.828 1.00 0.00 N ATOM 109 CA THR A 11 2.129 -8.397 13.807 1.00 0.00 C ATOM 110 C THR A 11 3.190 -7.410 13.333 1.00 0.00 C ATOM 111 O THR A 11 4.225 -7.807 12.798 1.00 0.00 O ATOM 112 CB THR A 11 2.550 -8.969 15.174 1.00 0.00 C ATOM 113 OG1 THR A 11 3.612 -9.914 15.003 1.00 0.00 O ATOM 114 CG2 THR A 11 1.373 -9.640 15.866 1.00 0.00 C ATOM 0 H THR A 11 2.393 -10.334 13.051 1.00 0.00 H new ATOM 0 HA THR A 11 1.177 -7.878 13.916 1.00 0.00 H new ATOM 0 HB THR A 11 2.895 -8.144 15.798 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.236 -10.811 14.885 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.695 -10.036 16.829 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.578 -8.911 16.021 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.002 -10.455 15.244 1.00 0.00 H new ATOM 122 N ASP A 12 2.925 -6.124 13.533 1.00 0.00 N ATOM 123 CA ASP A 12 3.859 -5.080 13.128 1.00 0.00 C ATOM 124 C ASP A 12 5.302 -5.530 13.336 1.00 0.00 C ATOM 125 O ASP A 12 6.075 -5.625 12.384 1.00 0.00 O ATOM 126 CB ASP A 12 3.594 -3.795 13.914 1.00 0.00 C ATOM 127 CG ASP A 12 4.709 -2.780 13.758 1.00 0.00 C ATOM 128 OD1 ASP A 12 4.753 -2.104 12.710 1.00 0.00 O ATOM 129 OD2 ASP A 12 5.538 -2.663 14.685 1.00 0.00 O ATOM 0 H ASP A 12 2.072 -5.779 13.973 1.00 0.00 H new ATOM 0 HA ASP A 12 3.708 -4.885 12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.656 -3.354 13.578 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.472 -4.037 14.970 1.00 0.00 H new ATOM 134 N GLN A 13 5.656 -5.804 14.588 1.00 0.00 N ATOM 135 CA GLN A 13 7.006 -6.242 14.920 1.00 0.00 C ATOM 136 C GLN A 13 7.559 -7.170 13.843 1.00 0.00 C ATOM 137 O GLN A 13 8.703 -7.027 13.412 1.00 0.00 O ATOM 138 CB GLN A 13 7.016 -6.951 16.276 1.00 0.00 C ATOM 139 CG GLN A 13 6.092 -8.157 16.337 1.00 0.00 C ATOM 140 CD GLN A 13 5.784 -8.583 17.759 1.00 0.00 C ATOM 141 OE1 GLN A 13 6.476 -9.426 18.330 1.00 0.00 O ATOM 142 NE2 GLN A 13 4.740 -8.002 18.339 1.00 0.00 N ATOM 0 H GLN A 13 5.027 -5.730 15.388 1.00 0.00 H new ATOM 0 HA GLN A 13 7.644 -5.360 14.975 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.033 -7.271 16.502 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.725 -6.241 17.050 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.160 -7.923 15.822 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.551 -8.989 15.803 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.194 -7.308 17.829 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.484 -8.250 19.295 1.00 0.00 H new ATOM 151 N LYS A 14 6.738 -8.122 13.412 1.00 0.00 N ATOM 152 CA LYS A 14 7.143 -9.074 12.385 1.00 0.00 C ATOM 153 C LYS A 14 7.128 -8.424 11.005 1.00 0.00 C ATOM 154 O LYS A 14 7.960 -8.736 10.153 1.00 0.00 O ATOM 155 CB LYS A 14 6.217 -10.293 12.397 1.00 0.00 C ATOM 156 CG LYS A 14 6.497 -11.258 13.536 1.00 0.00 C ATOM 157 CD LYS A 14 7.700 -12.137 13.239 1.00 0.00 C ATOM 158 CE LYS A 14 8.257 -12.766 14.507 1.00 0.00 C ATOM 159 NZ LYS A 14 9.294 -11.907 15.144 1.00 0.00 N ATOM 0 H LYS A 14 5.788 -8.254 13.758 1.00 0.00 H new ATOM 0 HA LYS A 14 8.161 -9.397 12.604 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.184 -9.953 12.466 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.316 -10.823 11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.673 -10.697 14.454 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.621 -11.884 13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.415 -12.921 12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.475 -11.543 12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.445 -12.939 15.213 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.687 -13.739 14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.648 -12.371 16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.081 -11.762 14.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.878 -10.987 15.393 1.00 0.00 H new ATOM 173 N ILE A 15 6.177 -7.520 10.792 1.00 0.00 N ATOM 174 CA ILE A 15 6.056 -6.826 9.516 1.00 0.00 C ATOM 175 C ILE A 15 7.295 -5.984 9.229 1.00 0.00 C ATOM 176 O ILE A 15 7.881 -6.072 8.150 1.00 0.00 O ATOM 177 CB ILE A 15 4.813 -5.917 9.486 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.544 -6.745 9.697 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.744 -5.158 8.169 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.294 -5.907 9.844 1.00 0.00 C ATOM 0 H ILE A 15 5.480 -7.251 11.486 1.00 0.00 H new ATOM 0 HA ILE A 15 5.954 -7.592 8.748 1.00 0.00 H new ATOM 0 HB ILE A 15 4.891 -5.193 10.297 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.419 -7.425 8.854 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.666 -7.361 10.588 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.860 -4.520 8.163 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.637 -4.543 8.056 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.685 -5.867 7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.433 -6.560 9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.398 -5.246 10.704 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.148 -5.311 8.943 1.00 0.00 H new ATOM 192 N ARG A 16 7.689 -5.169 10.203 1.00 0.00 N ATOM 193 CA ARG A 16 8.858 -4.312 10.055 1.00 0.00 C ATOM 194 C ARG A 16 10.119 -5.144 9.838 1.00 0.00 C ATOM 195 O ARG A 16 10.985 -4.779 9.044 1.00 0.00 O ATOM 196 CB ARG A 16 9.026 -3.425 11.291 1.00 0.00 C ATOM 197 CG ARG A 16 9.313 -4.203 12.564 1.00 0.00 C ATOM 198 CD ARG A 16 9.502 -3.275 13.754 1.00 0.00 C ATOM 199 NE ARG A 16 10.856 -2.731 13.815 1.00 0.00 N ATOM 200 CZ ARG A 16 11.233 -1.625 13.183 1.00 0.00 C ATOM 201 NH1 ARG A 16 10.362 -0.948 12.448 1.00 0.00 N ATOM 202 NH2 ARG A 16 12.483 -1.194 13.287 1.00 0.00 N ATOM 0 H ARG A 16 7.215 -5.085 11.102 1.00 0.00 H new ATOM 0 HA ARG A 16 8.706 -3.680 9.180 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.839 -2.721 11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.119 -2.837 11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.491 -4.891 12.764 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.209 -4.808 12.427 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.785 -2.456 13.693 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.288 -3.818 14.675 1.00 0.00 H new ATOM 0 HE ARG A 16 11.550 -3.227 14.373 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.400 -1.276 12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.654 -0.099 11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.156 -1.712 13.853 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.772 -0.345 12.801 1.00 0.00 H new ATOM 216 N GLN A 17 10.213 -6.263 10.550 1.00 0.00 N ATOM 217 CA GLN A 17 11.368 -7.145 10.435 1.00 0.00 C ATOM 218 C GLN A 17 11.330 -7.925 9.125 1.00 0.00 C ATOM 219 O GLN A 17 12.371 -8.236 8.546 1.00 0.00 O ATOM 220 CB GLN A 17 11.415 -8.115 11.617 1.00 0.00 C ATOM 221 CG GLN A 17 12.194 -7.583 12.809 1.00 0.00 C ATOM 222 CD GLN A 17 12.755 -8.690 13.680 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.116 -9.128 14.637 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.958 -9.149 13.353 1.00 0.00 N ATOM 0 H GLN A 17 9.504 -6.579 11.212 1.00 0.00 H new ATOM 0 HA GLN A 17 12.266 -6.528 10.443 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.396 -8.342 11.931 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.864 -9.053 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.012 -6.956 12.453 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.543 -6.948 13.410 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.453 -8.757 12.552 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.387 -9.893 13.903 1.00 0.00 H new ATOM 233 N ARG A 18 10.123 -8.237 8.663 1.00 0.00 N ATOM 234 CA ARG A 18 9.950 -8.981 7.421 1.00 0.00 C ATOM 235 C ARG A 18 10.346 -8.131 6.217 1.00 0.00 C ATOM 236 O ARG A 18 11.010 -8.610 5.298 1.00 0.00 O ATOM 237 CB ARG A 18 8.498 -9.443 7.277 1.00 0.00 C ATOM 238 CG ARG A 18 8.180 -10.034 5.913 1.00 0.00 C ATOM 239 CD ARG A 18 6.954 -10.932 5.968 1.00 0.00 C ATOM 240 NE ARG A 18 7.216 -12.174 6.689 1.00 0.00 N ATOM 241 CZ ARG A 18 7.762 -13.248 6.129 1.00 0.00 C ATOM 242 NH1 ARG A 18 8.102 -13.231 4.847 1.00 0.00 N ATOM 243 NH2 ARG A 18 7.970 -14.341 6.851 1.00 0.00 N ATOM 0 H ARG A 18 9.251 -7.986 9.130 1.00 0.00 H new ATOM 0 HA ARG A 18 10.601 -9.854 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.284 -10.187 8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.836 -8.596 7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.012 -9.230 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.036 -10.606 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.136 -10.398 6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.629 -11.164 4.954 1.00 0.00 H new ATOM 0 HE ARG A 18 6.966 -12.220 7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.944 -12.392 4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.521 -14.057 4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.711 -14.358 7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.389 -15.165 6.420 1.00 0.00 H new ATOM 257 N TYR A 19 9.933 -6.869 6.230 1.00 0.00 N ATOM 258 CA TYR A 19 10.242 -5.953 5.139 1.00 0.00 C ATOM 259 C TYR A 19 11.365 -4.997 5.531 1.00 0.00 C ATOM 260 O TYR A 19 11.568 -3.964 4.893 1.00 0.00 O ATOM 261 CB TYR A 19 8.996 -5.159 4.743 1.00 0.00 C ATOM 262 CG TYR A 19 7.896 -6.012 4.154 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.024 -6.568 2.887 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.729 -6.264 4.866 1.00 0.00 C ATOM 265 CE1 TYR A 19 7.020 -7.348 2.345 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.721 -7.044 4.332 1.00 0.00 C ATOM 267 CZ TYR A 19 5.871 -7.583 3.071 1.00 0.00 C ATOM 268 OH TYR A 19 4.870 -8.360 2.535 1.00 0.00 O ATOM 0 H TYR A 19 9.383 -6.457 6.984 1.00 0.00 H new ATOM 0 HA TYR A 19 10.574 -6.544 4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.611 -4.641 5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.278 -4.394 4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.923 -6.388 2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.608 -5.843 5.853 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.135 -7.771 1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.821 -7.231 4.899 1.00 0.00 H new ATOM 0 HH TYR A 19 4.131 -8.428 3.175 1.00 0.00 H new ATOM 278 N ALA A 20 12.092 -5.350 6.586 1.00 0.00 N ATOM 279 CA ALA A 20 13.196 -4.526 7.063 1.00 0.00 C ATOM 280 C ALA A 20 14.357 -4.538 6.074 1.00 0.00 C ATOM 281 O ALA A 20 15.153 -3.600 6.025 1.00 0.00 O ATOM 282 CB ALA A 20 13.660 -5.006 8.430 1.00 0.00 C ATOM 0 H ALA A 20 11.936 -6.201 7.127 1.00 0.00 H new ATOM 0 HA ALA A 20 12.839 -3.500 7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.485 -4.382 8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.834 -4.939 9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.994 -6.041 8.358 1.00 0.00 H new ATOM 288 N ASP A 21 14.448 -5.605 5.288 1.00 0.00 N ATOM 289 CA ASP A 21 15.512 -5.738 4.300 1.00 0.00 C ATOM 290 C ASP A 21 15.392 -4.663 3.224 1.00 0.00 C ATOM 291 O ASP A 21 16.393 -4.223 2.657 1.00 0.00 O ATOM 292 CB ASP A 21 15.469 -7.126 3.657 1.00 0.00 C ATOM 293 CG ASP A 21 16.185 -8.171 4.490 1.00 0.00 C ATOM 294 OD1 ASP A 21 15.993 -8.180 5.724 1.00 0.00 O ATOM 295 OD2 ASP A 21 16.935 -8.981 3.907 1.00 0.00 O ATOM 0 H ASP A 21 13.798 -6.390 5.316 1.00 0.00 H new ATOM 0 HA ASP A 21 16.466 -5.611 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.431 -7.426 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.924 -7.079 2.668 1.00 0.00 H new ATOM 300 N LEU A 22 14.162 -4.244 2.948 1.00 0.00 N ATOM 301 CA LEU A 22 13.911 -3.220 1.940 1.00 0.00 C ATOM 302 C LEU A 22 14.741 -1.969 2.215 1.00 0.00 C ATOM 303 O LEU A 22 15.075 -1.656 3.358 1.00 0.00 O ATOM 304 CB LEU A 22 12.424 -2.862 1.907 1.00 0.00 C ATOM 305 CG LEU A 22 11.452 -4.040 1.833 1.00 0.00 C ATOM 306 CD1 LEU A 22 10.035 -3.548 1.584 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.879 -5.017 0.747 1.00 0.00 C ATOM 0 H LEU A 22 13.323 -4.597 3.408 1.00 0.00 H new ATOM 0 HA LEU A 22 14.203 -3.622 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.191 -2.280 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.245 -2.215 1.048 1.00 0.00 H new ATOM 0 HG LEU A 22 11.470 -4.562 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.357 -4.400 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.730 -2.889 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.000 -3.001 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.176 -5.849 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.891 -4.508 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.877 -5.395 0.970 1.00 0.00 H new ATOM 319 N PRO A 23 15.080 -1.236 1.145 1.00 0.00 N ATOM 320 CA PRO A 23 15.871 -0.006 1.246 1.00 0.00 C ATOM 321 C PRO A 23 15.095 1.131 1.901 1.00 0.00 C ATOM 322 O PRO A 23 15.584 1.775 2.828 1.00 0.00 O ATOM 323 CB PRO A 23 16.187 0.333 -0.213 1.00 0.00 C ATOM 324 CG PRO A 23 15.090 -0.301 -0.996 1.00 0.00 C ATOM 325 CD PRO A 23 14.715 -1.550 -0.247 1.00 0.00 C ATOM 0 HA PRO A 23 16.756 -0.141 1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.215 1.411 -0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 23 17.161 -0.058 -0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.236 0.371 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.419 -0.537 -2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.652 -1.772 -0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.258 -2.419 -0.618 1.00 0.00 H new ATOM 333 N GLY A 24 13.882 1.372 1.413 1.00 0.00 N ATOM 334 CA GLY A 24 13.058 2.431 1.964 1.00 0.00 C ATOM 335 C GLY A 24 12.736 2.213 3.429 1.00 0.00 C ATOM 336 O GLY A 24 13.355 1.379 4.089 1.00 0.00 O ATOM 0 H GLY A 24 13.456 0.852 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.572 3.385 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.129 2.497 1.397 1.00 0.00 H new ATOM 340 N GLU A 25 11.765 2.965 3.939 1.00 0.00 N ATOM 341 CA GLU A 25 11.365 2.851 5.336 1.00 0.00 C ATOM 342 C GLU A 25 9.895 2.457 5.450 1.00 0.00 C ATOM 343 O GLU A 25 9.018 3.119 4.893 1.00 0.00 O ATOM 344 CB GLU A 25 11.609 4.171 6.070 1.00 0.00 C ATOM 345 CG GLU A 25 11.798 4.009 7.568 1.00 0.00 C ATOM 346 CD GLU A 25 13.200 3.562 7.935 1.00 0.00 C ATOM 347 OE1 GLU A 25 13.921 3.075 7.039 1.00 0.00 O ATOM 348 OE2 GLU A 25 13.576 3.700 9.118 1.00 0.00 O ATOM 0 H GLU A 25 11.242 3.659 3.405 1.00 0.00 H new ATOM 0 HA GLU A 25 11.970 2.071 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.493 4.652 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.767 4.839 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.582 4.956 8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.079 3.282 7.944 1.00 0.00 H new ATOM 355 N LEU A 26 9.633 1.375 6.175 1.00 0.00 N ATOM 356 CA LEU A 26 8.269 0.892 6.363 1.00 0.00 C ATOM 357 C LEU A 26 7.428 1.914 7.120 1.00 0.00 C ATOM 358 O LEU A 26 7.835 2.414 8.169 1.00 0.00 O ATOM 359 CB LEU A 26 8.278 -0.438 7.119 1.00 0.00 C ATOM 360 CG LEU A 26 6.987 -1.255 7.055 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.994 -2.169 5.840 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.804 -2.063 8.331 1.00 0.00 C ATOM 0 H LEU A 26 10.347 0.816 6.642 1.00 0.00 H new ATOM 0 HA LEU A 26 7.825 0.741 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.091 -1.050 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.505 -0.236 8.166 1.00 0.00 H new ATOM 0 HG LEU A 26 6.148 -0.566 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.068 -2.743 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.078 -1.569 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.842 -2.852 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.880 -2.638 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.647 -2.743 8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.753 -1.388 9.185 1.00 0.00 H new ATOM 374 N HIS A 27 6.252 2.221 6.581 1.00 0.00 N ATOM 375 CA HIS A 27 5.352 3.182 7.208 1.00 0.00 C ATOM 376 C HIS A 27 3.929 2.633 7.272 1.00 0.00 C ATOM 377 O HIS A 27 3.259 2.500 6.247 1.00 0.00 O ATOM 378 CB HIS A 27 5.366 4.503 6.438 1.00 0.00 C ATOM 379 CG HIS A 27 6.493 5.410 6.827 1.00 0.00 C ATOM 380 ND1 HIS A 27 6.427 6.276 7.897 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.720 5.581 6.282 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.564 6.942 7.993 1.00 0.00 C ATOM 383 NE2 HIS A 27 8.366 6.539 7.025 1.00 0.00 N ATOM 0 H HIS A 27 5.901 1.818 5.712 1.00 0.00 H new ATOM 0 HA HIS A 27 5.701 3.359 8.225 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.432 4.292 5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.421 5.020 6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.117 5.061 5.423 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.798 7.689 8.737 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.311 6.883 6.856 1.00 0.00 H new ATOM 392 N ILE A 28 3.477 2.316 8.480 1.00 0.00 N ATOM 393 CA ILE A 28 2.135 1.781 8.676 1.00 0.00 C ATOM 394 C ILE A 28 1.172 2.870 9.139 1.00 0.00 C ATOM 395 O ILE A 28 1.327 3.428 10.225 1.00 0.00 O ATOM 396 CB ILE A 28 2.130 0.636 9.706 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.168 -0.423 9.328 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.744 0.016 9.802 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.508 -1.366 10.461 1.00 0.00 C ATOM 0 H ILE A 28 4.020 2.420 9.337 1.00 0.00 H new ATOM 0 HA ILE A 28 1.806 1.393 7.712 1.00 0.00 H new ATOM 0 HB ILE A 28 2.393 1.044 10.682 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.794 -1.002 8.484 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.079 0.075 8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.757 -0.792 10.534 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.026 0.776 10.112 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.455 -0.381 8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.249 -2.090 10.122 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.912 -0.798 11.299 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.608 -1.891 10.780 1.00 0.00 H new ATOM 411 N ILE A 29 0.178 3.165 8.308 1.00 0.00 N ATOM 412 CA ILE A 29 -0.812 4.184 8.633 1.00 0.00 C ATOM 413 C ILE A 29 -2.229 3.646 8.470 1.00 0.00 C ATOM 414 O ILE A 29 -2.523 2.922 7.519 1.00 0.00 O ATOM 415 CB ILE A 29 -0.644 5.434 7.748 1.00 0.00 C ATOM 416 CG1 ILE A 29 -0.925 5.090 6.284 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.755 6.009 7.904 1.00 0.00 C ATOM 418 CD1 ILE A 29 -0.998 6.302 5.382 1.00 0.00 C ATOM 0 H ILE A 29 0.037 2.713 7.405 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.649 4.461 9.675 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.363 6.188 8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.144 4.423 5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.866 4.544 6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.858 6.891 7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.920 6.286 8.945 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.491 5.262 7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.200 5.983 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.798 6.960 5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.049 6.837 5.414 1.00 0.00 H new ATOM 430 N GLU A 30 -3.104 4.007 9.404 1.00 0.00 N ATOM 431 CA GLU A 30 -4.492 3.560 9.363 1.00 0.00 C ATOM 432 C GLU A 30 -5.389 4.630 8.748 1.00 0.00 C ATOM 433 O GLU A 30 -5.480 5.748 9.257 1.00 0.00 O ATOM 434 CB GLU A 30 -4.982 3.215 10.770 1.00 0.00 C ATOM 435 CG GLU A 30 -4.748 1.765 11.158 1.00 0.00 C ATOM 436 CD GLU A 30 -4.553 1.584 12.651 1.00 0.00 C ATOM 437 OE1 GLU A 30 -5.534 1.764 13.403 1.00 0.00 O ATOM 438 OE2 GLU A 30 -3.421 1.262 13.068 1.00 0.00 O ATOM 0 H GLU A 30 -2.877 4.607 10.197 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.541 2.667 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.478 3.861 11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.048 3.433 10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.596 1.164 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.870 1.390 10.633 1.00 0.00 H new ATOM 445 N LEU A 31 -6.050 4.279 7.650 1.00 0.00 N ATOM 446 CA LEU A 31 -6.941 5.209 6.964 1.00 0.00 C ATOM 447 C LEU A 31 -8.358 4.650 6.888 1.00 0.00 C ATOM 448 O LEU A 31 -8.575 3.550 6.381 1.00 0.00 O ATOM 449 CB LEU A 31 -6.420 5.500 5.555 1.00 0.00 C ATOM 450 CG LEU A 31 -4.929 5.818 5.444 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.520 5.956 3.985 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.595 7.086 6.216 1.00 0.00 C ATOM 0 H LEU A 31 -5.986 3.358 7.216 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.966 6.137 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.635 4.637 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.982 6.341 5.148 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.367 4.992 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.455 6.182 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.722 5.022 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.089 6.763 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.529 7.297 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.166 7.921 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.850 6.950 7.267 1.00 0.00 H new ATOM 464 N GLU A 32 -9.319 5.416 7.396 1.00 0.00 N ATOM 465 CA GLU A 32 -10.716 4.996 7.384 1.00 0.00 C ATOM 466 C GLU A 32 -11.354 5.268 6.025 1.00 0.00 C ATOM 467 O GLU A 32 -11.509 6.420 5.618 1.00 0.00 O ATOM 468 CB GLU A 32 -11.498 5.721 8.482 1.00 0.00 C ATOM 469 CG GLU A 32 -12.661 4.914 9.034 1.00 0.00 C ATOM 470 CD GLU A 32 -13.678 5.777 9.756 1.00 0.00 C ATOM 471 OE1 GLU A 32 -13.411 6.168 10.912 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.741 6.060 9.165 1.00 0.00 O ATOM 0 H GLU A 32 -9.156 6.329 7.820 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.749 3.923 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.819 5.968 9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.876 6.663 8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.153 4.386 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.280 4.157 9.719 1.00 0.00 H new ATOM 479 N LYS A 33 -11.723 4.200 5.327 1.00 0.00 N ATOM 480 CA LYS A 33 -12.345 4.320 4.014 1.00 0.00 C ATOM 481 C LYS A 33 -13.319 5.493 3.979 1.00 0.00 C ATOM 482 O LYS A 33 -14.254 5.560 4.778 1.00 0.00 O ATOM 483 CB LYS A 33 -13.077 3.025 3.653 1.00 0.00 C ATOM 484 CG LYS A 33 -12.145 1.861 3.363 1.00 0.00 C ATOM 485 CD LYS A 33 -12.752 0.899 2.355 1.00 0.00 C ATOM 486 CE LYS A 33 -13.564 -0.188 3.041 1.00 0.00 C ATOM 487 NZ LYS A 33 -14.688 -0.662 2.187 1.00 0.00 N ATOM 0 H LYS A 33 -11.602 3.240 5.649 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.558 4.501 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.741 2.752 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.705 3.203 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.197 2.239 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.926 1.329 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.390 1.450 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.959 0.443 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.914 -1.028 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.959 0.193 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.573 -0.638 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.777 -0.043 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.500 -1.636 1.875 1.00 0.00 H new ATOM 501 N ASP A 34 -13.095 6.415 3.050 1.00 0.00 N ATOM 502 CA ASP A 34 -13.955 7.585 2.909 1.00 0.00 C ATOM 503 C ASP A 34 -15.224 7.237 2.138 1.00 0.00 C ATOM 504 O ASP A 34 -15.379 6.118 1.648 1.00 0.00 O ATOM 505 CB ASP A 34 -13.205 8.713 2.200 1.00 0.00 C ATOM 506 CG ASP A 34 -13.894 10.054 2.356 1.00 0.00 C ATOM 507 OD1 ASP A 34 -13.809 10.641 3.455 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.518 10.517 1.379 1.00 0.00 O ATOM 0 H ASP A 34 -12.325 6.375 2.383 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.239 7.919 3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.193 8.779 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.115 8.475 1.140 1.00 0.00 H new ATOM 513 N LYS A 35 -16.131 8.202 2.035 1.00 0.00 N ATOM 514 CA LYS A 35 -17.388 8.000 1.324 1.00 0.00 C ATOM 515 C LYS A 35 -17.194 7.067 0.132 1.00 0.00 C ATOM 516 O LYS A 35 -18.044 6.225 -0.153 1.00 0.00 O ATOM 517 CB LYS A 35 -17.950 9.341 0.849 1.00 0.00 C ATOM 518 CG LYS A 35 -19.204 9.209 0.002 1.00 0.00 C ATOM 519 CD LYS A 35 -18.869 9.077 -1.474 1.00 0.00 C ATOM 520 CE LYS A 35 -18.788 10.437 -2.151 1.00 0.00 C ATOM 521 NZ LYS A 35 -17.434 11.043 -2.016 1.00 0.00 N ATOM 0 H LYS A 35 -16.019 9.133 2.436 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.097 7.540 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.172 9.961 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.186 9.862 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.773 8.338 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.841 10.080 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.918 8.556 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.627 8.468 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.036 10.332 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.530 11.105 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.281 11.725 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.362 11.532 -1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.713 10.296 -2.067 1.00 0.00 H new ATOM 535 N ASN A 36 -16.069 7.223 -0.559 1.00 0.00 N ATOM 536 CA ASN A 36 -15.764 6.394 -1.719 1.00 0.00 C ATOM 537 C ASN A 36 -14.780 5.287 -1.353 1.00 0.00 C ATOM 538 O ASN A 36 -14.837 4.186 -1.898 1.00 0.00 O ATOM 539 CB ASN A 36 -15.188 7.251 -2.847 1.00 0.00 C ATOM 540 CG ASN A 36 -14.748 6.421 -4.037 1.00 0.00 C ATOM 541 OD1 ASN A 36 -15.572 5.964 -4.829 1.00 0.00 O ATOM 542 ND2 ASN A 36 -13.441 6.221 -4.169 1.00 0.00 N ATOM 0 H ASN A 36 -15.354 7.916 -0.336 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.692 5.933 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.937 7.974 -3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.338 7.819 -2.470 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.086 5.670 -4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.793 6.619 -3.489 1.00 0.00 H new ATOM 549 N GLY A 37 -13.878 5.588 -0.424 1.00 0.00 N ATOM 550 CA GLY A 37 -12.895 4.609 0.000 1.00 0.00 C ATOM 551 C GLY A 37 -11.472 5.068 -0.254 1.00 0.00 C ATOM 552 O GLY A 37 -11.247 6.179 -0.734 1.00 0.00 O ATOM 0 H GLY A 37 -13.811 6.493 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.024 4.406 1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.070 3.671 -0.527 1.00 0.00 H new ATOM 556 N LEU A 38 -10.510 4.212 0.071 1.00 0.00 N ATOM 557 CA LEU A 38 -9.100 4.536 -0.123 1.00 0.00 C ATOM 558 C LEU A 38 -8.797 4.786 -1.597 1.00 0.00 C ATOM 559 O LEU A 38 -8.535 3.852 -2.354 1.00 0.00 O ATOM 560 CB LEU A 38 -8.219 3.404 0.406 1.00 0.00 C ATOM 561 CG LEU A 38 -8.569 2.874 1.797 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.740 1.642 2.124 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.360 3.955 2.848 1.00 0.00 C ATOM 0 H LEU A 38 -10.680 3.289 0.470 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.882 5.448 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.266 2.574 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.186 3.751 0.421 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.621 2.589 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.003 1.280 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.941 0.863 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.681 1.899 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.614 3.560 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.317 4.271 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.999 4.809 2.624 1.00 0.00 H new ATOM 575 N GLY A 39 -8.832 6.054 -1.997 1.00 0.00 N ATOM 576 CA GLY A 39 -8.557 6.404 -3.378 1.00 0.00 C ATOM 577 C GLY A 39 -7.073 6.531 -3.659 1.00 0.00 C ATOM 578 O GLY A 39 -6.445 7.523 -3.285 1.00 0.00 O ATOM 0 H GLY A 39 -9.046 6.845 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.984 5.645 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.051 7.346 -3.616 1.00 0.00 H new ATOM 582 N LEU A 40 -6.509 5.525 -4.318 1.00 0.00 N ATOM 583 CA LEU A 40 -5.088 5.528 -4.648 1.00 0.00 C ATOM 584 C LEU A 40 -4.851 4.956 -6.042 1.00 0.00 C ATOM 585 O LEU A 40 -5.399 3.912 -6.397 1.00 0.00 O ATOM 586 CB LEU A 40 -4.302 4.720 -3.613 1.00 0.00 C ATOM 587 CG LEU A 40 -4.290 5.282 -2.191 1.00 0.00 C ATOM 588 CD1 LEU A 40 -3.880 4.208 -1.196 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.356 6.480 -2.100 1.00 0.00 C ATOM 0 H LEU A 40 -7.014 4.697 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.740 6.561 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.714 3.711 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.271 4.633 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.299 5.612 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.877 4.626 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.587 3.380 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.881 3.847 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.360 6.868 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.345 6.174 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.694 7.258 -2.785 1.00 0.00 H new ATOM 601 N SER A 41 -4.030 5.646 -6.827 1.00 0.00 N ATOM 602 CA SER A 41 -3.722 5.208 -8.184 1.00 0.00 C ATOM 603 C SER A 41 -2.549 4.232 -8.186 1.00 0.00 C ATOM 604 O SER A 41 -1.409 4.613 -7.915 1.00 0.00 O ATOM 605 CB SER A 41 -3.401 6.412 -9.071 1.00 0.00 C ATOM 606 OG SER A 41 -4.579 7.120 -9.416 1.00 0.00 O ATOM 0 H SER A 41 -3.566 6.510 -6.547 1.00 0.00 H new ATOM 0 HA SER A 41 -4.598 4.697 -8.582 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.712 7.078 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.896 6.076 -9.977 1.00 0.00 H new ATOM 0 HG SER A 41 -4.347 7.886 -9.982 1.00 0.00 H new ATOM 612 N LEU A 42 -2.836 2.972 -8.494 1.00 0.00 N ATOM 613 CA LEU A 42 -1.806 1.940 -8.532 1.00 0.00 C ATOM 614 C LEU A 42 -1.313 1.715 -9.958 1.00 0.00 C ATOM 615 O LEU A 42 -2.061 1.895 -10.919 1.00 0.00 O ATOM 616 CB LEU A 42 -2.346 0.631 -7.955 1.00 0.00 C ATOM 617 CG LEU A 42 -3.077 0.739 -6.616 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.631 -0.615 -6.199 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.149 1.290 -5.544 1.00 0.00 C ATOM 0 H LEU A 42 -3.774 2.640 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.966 2.278 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.026 0.190 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.513 -0.062 -7.837 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.912 1.429 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.148 -0.518 -5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.330 -0.971 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.812 -1.328 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.686 1.360 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.293 0.625 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.801 2.280 -5.838 1.00 0.00 H new ATOM 631 N ALA A 43 -0.051 1.319 -10.087 1.00 0.00 N ATOM 632 CA ALA A 43 0.540 1.065 -11.395 1.00 0.00 C ATOM 633 C ALA A 43 1.653 0.028 -11.302 1.00 0.00 C ATOM 634 O ALA A 43 2.695 0.273 -10.695 1.00 0.00 O ATOM 635 CB ALA A 43 1.070 2.359 -11.995 1.00 0.00 C ATOM 0 H ALA A 43 0.582 1.167 -9.302 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.238 0.667 -12.047 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.509 2.154 -12.972 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.252 3.070 -12.107 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.830 2.781 -11.337 1.00 0.00 H new ATOM 641 N GLY A 44 1.426 -1.134 -11.908 1.00 0.00 N ATOM 642 CA GLY A 44 2.419 -2.192 -11.881 1.00 0.00 C ATOM 643 C GLY A 44 3.828 -1.670 -12.089 1.00 0.00 C ATOM 644 O GLY A 44 4.018 -0.545 -12.548 1.00 0.00 O ATOM 0 H GLY A 44 0.572 -1.361 -12.417 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.365 -2.713 -10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.188 -2.923 -12.655 1.00 0.00 H new ATOM 648 N ASN A 45 4.817 -2.490 -11.748 1.00 0.00 N ATOM 649 CA ASN A 45 6.215 -2.104 -11.897 1.00 0.00 C ATOM 650 C ASN A 45 6.569 -1.902 -13.368 1.00 0.00 C ATOM 651 O ASN A 45 6.041 -2.585 -14.245 1.00 0.00 O ATOM 652 CB ASN A 45 7.128 -3.167 -11.283 1.00 0.00 C ATOM 653 CG ASN A 45 8.597 -2.863 -11.500 1.00 0.00 C ATOM 654 OD1 ASN A 45 9.160 -3.177 -12.549 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.227 -2.248 -10.505 1.00 0.00 N ATOM 0 H ASN A 45 4.676 -3.426 -11.367 1.00 0.00 H new ATOM 0 HA ASN A 45 6.364 -1.160 -11.372 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.929 -3.239 -10.214 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.893 -4.139 -11.717 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.217 -2.018 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.721 -2.006 -9.653 1.00 0.00 H new ATOM 662 N LYS A 46 7.469 -0.959 -13.630 1.00 0.00 N ATOM 663 CA LYS A 46 7.896 -0.667 -14.992 1.00 0.00 C ATOM 664 C LYS A 46 8.003 -1.947 -15.815 1.00 0.00 C ATOM 665 O LYS A 46 7.532 -2.007 -16.951 1.00 0.00 O ATOM 666 CB LYS A 46 9.244 0.059 -14.981 1.00 0.00 C ATOM 667 CG LYS A 46 9.218 1.377 -14.228 1.00 0.00 C ATOM 668 CD LYS A 46 10.572 1.695 -13.615 1.00 0.00 C ATOM 669 CE LYS A 46 11.441 2.501 -14.569 1.00 0.00 C ATOM 670 NZ LYS A 46 12.170 1.625 -15.527 1.00 0.00 N ATOM 0 H LYS A 46 7.916 -0.384 -12.916 1.00 0.00 H new ATOM 0 HA LYS A 46 7.146 -0.022 -15.451 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.994 -0.592 -14.532 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.556 0.243 -16.009 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.927 2.179 -14.906 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.463 1.334 -13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.431 2.253 -12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.081 0.767 -13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.818 3.205 -15.121 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.158 3.090 -13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.152 1.955 -15.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.166 0.646 -15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.702 1.661 -16.455 1.00 0.00 H new ATOM 684 N ASP A 47 8.623 -2.968 -15.235 1.00 0.00 N ATOM 685 CA ASP A 47 8.789 -4.248 -15.914 1.00 0.00 C ATOM 686 C ASP A 47 7.672 -5.214 -15.533 1.00 0.00 C ATOM 687 O ASP A 47 7.646 -5.741 -14.420 1.00 0.00 O ATOM 688 CB ASP A 47 10.148 -4.859 -15.570 1.00 0.00 C ATOM 689 CG ASP A 47 11.302 -4.084 -16.175 1.00 0.00 C ATOM 690 OD1 ASP A 47 11.260 -2.836 -16.142 1.00 0.00 O ATOM 691 OD2 ASP A 47 12.246 -4.725 -16.681 1.00 0.00 O ATOM 0 H ASP A 47 9.019 -2.935 -14.296 1.00 0.00 H new ATOM 0 HA ASP A 47 8.740 -4.071 -16.988 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.265 -4.892 -14.487 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.180 -5.889 -15.925 1.00 0.00 H new ATOM 696 N ARG A 48 6.750 -5.441 -16.463 1.00 0.00 N ATOM 697 CA ARG A 48 5.629 -6.342 -16.224 1.00 0.00 C ATOM 698 C ARG A 48 6.090 -7.602 -15.496 1.00 0.00 C ATOM 699 O ARG A 48 5.519 -7.984 -14.475 1.00 0.00 O ATOM 700 CB ARG A 48 4.960 -6.720 -17.547 1.00 0.00 C ATOM 701 CG ARG A 48 5.933 -7.228 -18.598 1.00 0.00 C ATOM 702 CD ARG A 48 5.459 -6.893 -20.004 1.00 0.00 C ATOM 703 NE ARG A 48 6.534 -7.011 -20.986 1.00 0.00 N ATOM 704 CZ ARG A 48 6.986 -8.173 -21.444 1.00 0.00 C ATOM 705 NH1 ARG A 48 6.460 -9.310 -21.012 1.00 0.00 N ATOM 706 NH2 ARG A 48 7.967 -8.198 -22.338 1.00 0.00 N ATOM 0 H ARG A 48 6.757 -5.013 -17.389 1.00 0.00 H new ATOM 0 HA ARG A 48 4.906 -5.823 -15.594 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.209 -7.487 -17.358 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.435 -5.850 -17.941 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.915 -6.787 -18.429 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.047 -8.307 -18.499 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.641 -7.559 -20.279 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.062 -5.878 -20.021 1.00 0.00 H new ATOM 0 HE ARG A 48 6.961 -6.155 -21.339 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.706 -9.295 -20.326 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.810 -10.201 -21.366 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.374 -7.325 -22.673 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.314 -9.090 -22.690 1.00 0.00 H new ATOM 720 N SER A 49 7.125 -8.242 -16.030 1.00 0.00 N ATOM 721 CA SER A 49 7.660 -9.461 -15.434 1.00 0.00 C ATOM 722 C SER A 49 7.624 -9.382 -13.910 1.00 0.00 C ATOM 723 O SER A 49 7.354 -10.373 -13.232 1.00 0.00 O ATOM 724 CB SER A 49 9.093 -9.701 -15.910 1.00 0.00 C ATOM 725 OG SER A 49 9.111 -10.278 -17.204 1.00 0.00 O ATOM 0 H SER A 49 7.610 -7.937 -16.874 1.00 0.00 H new ATOM 0 HA SER A 49 7.035 -10.296 -15.752 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.638 -8.757 -15.922 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.607 -10.358 -15.208 1.00 0.00 H new ATOM 0 HG SER A 49 10.039 -10.420 -17.486 1.00 0.00 H new ATOM 731 N ARG A 50 7.898 -8.195 -13.379 1.00 0.00 N ATOM 732 CA ARG A 50 7.899 -7.985 -11.937 1.00 0.00 C ATOM 733 C ARG A 50 6.482 -7.751 -11.420 1.00 0.00 C ATOM 734 O ARG A 50 5.639 -7.195 -12.123 1.00 0.00 O ATOM 735 CB ARG A 50 8.789 -6.795 -11.574 1.00 0.00 C ATOM 736 CG ARG A 50 10.255 -7.159 -11.408 1.00 0.00 C ATOM 737 CD ARG A 50 11.064 -5.986 -10.876 1.00 0.00 C ATOM 738 NE ARG A 50 12.485 -6.305 -10.765 1.00 0.00 N ATOM 739 CZ ARG A 50 13.352 -5.569 -10.080 1.00 0.00 C ATOM 740 NH1 ARG A 50 12.946 -4.477 -9.447 1.00 0.00 N ATOM 741 NH2 ARG A 50 14.629 -5.926 -10.026 1.00 0.00 N ATOM 0 H ARG A 50 8.122 -7.364 -13.926 1.00 0.00 H new ATOM 0 HA ARG A 50 8.295 -8.884 -11.465 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.698 -6.034 -12.349 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.427 -6.351 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.346 -8.004 -10.726 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.663 -7.478 -12.367 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.936 -5.128 -11.536 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.680 -5.695 -9.898 1.00 0.00 H new ATOM 0 HE ARG A 50 12.830 -7.139 -11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.965 -4.200 -9.485 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.615 -3.914 -8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.945 -6.766 -10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.295 -5.360 -9.500 1.00 0.00 H new ATOM 755 N MET A 51 6.229 -8.179 -10.188 1.00 0.00 N ATOM 756 CA MET A 51 4.915 -8.015 -9.578 1.00 0.00 C ATOM 757 C MET A 51 5.011 -7.206 -8.288 1.00 0.00 C ATOM 758 O MET A 51 5.453 -7.714 -7.258 1.00 0.00 O ATOM 759 CB MET A 51 4.288 -9.381 -9.291 1.00 0.00 C ATOM 760 CG MET A 51 2.798 -9.316 -8.997 1.00 0.00 C ATOM 761 SD MET A 51 1.789 -9.463 -10.484 1.00 0.00 S ATOM 762 CE MET A 51 1.407 -7.743 -10.805 1.00 0.00 C ATOM 0 H MET A 51 6.916 -8.642 -9.593 1.00 0.00 H new ATOM 0 HA MET A 51 4.282 -7.473 -10.280 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.453 -10.034 -10.148 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.798 -9.835 -8.441 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.534 -10.114 -8.303 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.571 -8.373 -8.500 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.490 -7.677 -11.390 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.273 -7.217 -9.860 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.226 -7.286 -11.361 1.00 0.00 H new ATOM 772 N SER A 52 4.595 -5.946 -8.353 1.00 0.00 N ATOM 773 CA SER A 52 4.639 -5.066 -7.191 1.00 0.00 C ATOM 774 C SER A 52 3.629 -3.931 -7.331 1.00 0.00 C ATOM 775 O SER A 52 3.395 -3.426 -8.429 1.00 0.00 O ATOM 776 CB SER A 52 6.046 -4.492 -7.012 1.00 0.00 C ATOM 777 OG SER A 52 6.327 -4.248 -5.644 1.00 0.00 O ATOM 0 H SER A 52 4.224 -5.511 -9.198 1.00 0.00 H new ATOM 0 HA SER A 52 4.380 -5.654 -6.311 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.780 -5.187 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.138 -3.564 -7.577 1.00 0.00 H new ATOM 0 HG SER A 52 7.070 -3.613 -5.571 1.00 0.00 H new ATOM 783 N ILE A 53 3.034 -3.535 -6.211 1.00 0.00 N ATOM 784 CA ILE A 53 2.050 -2.460 -6.207 1.00 0.00 C ATOM 785 C ILE A 53 2.672 -1.147 -5.744 1.00 0.00 C ATOM 786 O ILE A 53 3.338 -1.094 -4.710 1.00 0.00 O ATOM 787 CB ILE A 53 0.852 -2.796 -5.299 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.274 -4.164 -5.666 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.215 -1.717 -5.409 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.496 -4.816 -4.539 1.00 0.00 C ATOM 0 H ILE A 53 3.216 -3.943 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 53 1.698 -2.351 -7.233 1.00 0.00 H new ATOM 0 HB ILE A 53 1.197 -2.834 -4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.384 -4.052 -6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.087 -4.824 -5.969 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.055 -1.969 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.204 -0.758 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.560 -1.650 -6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.877 -5.782 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.164 -4.960 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.330 -4.176 -4.251 1.00 0.00 H new ATOM 802 N PHE A 54 2.449 -0.088 -6.516 1.00 0.00 N ATOM 803 CA PHE A 54 2.987 1.226 -6.185 1.00 0.00 C ATOM 804 C PHE A 54 1.878 2.273 -6.146 1.00 0.00 C ATOM 805 O PHE A 54 0.759 2.026 -6.594 1.00 0.00 O ATOM 806 CB PHE A 54 4.054 1.635 -7.203 1.00 0.00 C ATOM 807 CG PHE A 54 5.276 0.761 -7.174 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.081 0.711 -6.048 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.619 -0.009 -8.273 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.206 -0.092 -6.018 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.742 -0.814 -8.249 1.00 0.00 C ATOM 812 CZ PHE A 54 7.537 -0.855 -7.120 1.00 0.00 C ATOM 0 H PHE A 54 1.899 -0.115 -7.375 1.00 0.00 H new ATOM 0 HA PHE A 54 3.442 1.166 -5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.621 1.607 -8.203 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.350 2.667 -7.013 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.827 1.306 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.002 0.020 -9.159 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.825 -0.122 -5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.998 -1.411 -9.112 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.416 -1.483 -7.099 1.00 0.00 H new ATOM 822 N VAL A 55 2.198 3.445 -5.606 1.00 0.00 N ATOM 823 CA VAL A 55 1.231 4.531 -5.508 1.00 0.00 C ATOM 824 C VAL A 55 1.657 5.725 -6.355 1.00 0.00 C ATOM 825 O VAL A 55 2.348 6.625 -5.876 1.00 0.00 O ATOM 826 CB VAL A 55 1.048 4.990 -4.049 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.043 6.129 -3.969 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.614 3.823 -3.175 1.00 0.00 C ATOM 0 H VAL A 55 3.120 3.666 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 55 0.283 4.144 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 55 2.006 5.356 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.073 6.440 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.400 6.971 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.919 5.793 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.489 4.165 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.332 3.425 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.373 3.042 -3.208 1.00 0.00 H new ATOM 838 N VAL A 56 1.239 5.728 -7.617 1.00 0.00 N ATOM 839 CA VAL A 56 1.576 6.813 -8.531 1.00 0.00 C ATOM 840 C VAL A 56 0.509 7.901 -8.510 1.00 0.00 C ATOM 841 O VAL A 56 0.372 8.669 -9.461 1.00 0.00 O ATOM 842 CB VAL A 56 1.742 6.299 -9.974 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.679 5.102 -10.011 1.00 0.00 C ATOM 844 CG2 VAL A 56 0.388 5.946 -10.572 1.00 0.00 C ATOM 0 H VAL A 56 0.667 4.991 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 56 2.523 7.231 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 56 2.184 7.093 -10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.783 4.753 -11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.656 5.393 -9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.270 4.301 -9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.524 5.585 -11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.084 5.168 -9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.247 6.832 -10.582 1.00 0.00 H new ATOM 854 N GLY A 57 -0.246 7.961 -7.417 1.00 0.00 N ATOM 855 CA GLY A 57 -1.292 8.959 -7.291 1.00 0.00 C ATOM 856 C GLY A 57 -2.137 8.760 -6.049 1.00 0.00 C ATOM 857 O GLY A 57 -2.291 7.637 -5.569 1.00 0.00 O ATOM 0 H GLY A 57 -0.152 7.336 -6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.842 9.951 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.933 8.923 -8.172 1.00 0.00 H new ATOM 861 N ILE A 58 -2.684 9.853 -5.527 1.00 0.00 N ATOM 862 CA ILE A 58 -3.517 9.793 -4.332 1.00 0.00 C ATOM 863 C ILE A 58 -4.781 10.629 -4.501 1.00 0.00 C ATOM 864 O ILE A 58 -4.762 11.845 -4.312 1.00 0.00 O ATOM 865 CB ILE A 58 -2.753 10.282 -3.088 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.552 9.376 -2.810 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.679 10.328 -1.881 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.651 9.887 -1.708 1.00 0.00 C ATOM 0 H ILE A 58 -2.565 10.790 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.792 8.748 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.387 11.291 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.911 8.382 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.969 9.269 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.124 10.676 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.505 11.011 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.073 9.330 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.179 9.195 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.262 10.868 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.219 9.967 -0.781 1.00 0.00 H new ATOM 880 N ASN A 59 -5.878 9.969 -4.856 1.00 0.00 N ATOM 881 CA ASN A 59 -7.152 10.651 -5.049 1.00 0.00 C ATOM 882 C ASN A 59 -7.393 11.675 -3.944 1.00 0.00 C ATOM 883 O ASN A 59 -7.473 11.343 -2.762 1.00 0.00 O ATOM 884 CB ASN A 59 -8.298 9.638 -5.079 1.00 0.00 C ATOM 885 CG ASN A 59 -9.452 10.095 -5.950 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.681 11.294 -6.117 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.186 9.141 -6.509 1.00 0.00 N ATOM 0 H ASN A 59 -5.910 8.962 -5.016 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.114 11.175 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.925 8.682 -5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.657 9.470 -4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.976 9.388 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.960 8.160 -6.343 1.00 0.00 H new ATOM 894 N PRO A 60 -7.513 12.952 -4.337 1.00 0.00 N ATOM 895 CA PRO A 60 -7.748 14.051 -3.396 1.00 0.00 C ATOM 896 C PRO A 60 -9.146 14.005 -2.788 1.00 0.00 C ATOM 897 O PRO A 60 -9.508 14.856 -1.977 1.00 0.00 O ATOM 898 CB PRO A 60 -7.584 15.302 -4.263 1.00 0.00 C ATOM 899 CG PRO A 60 -7.897 14.848 -5.646 1.00 0.00 C ATOM 900 CD PRO A 60 -7.429 13.421 -5.730 1.00 0.00 C ATOM 0 HA PRO A 60 -7.067 14.012 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.260 16.096 -3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.571 15.700 -4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.966 14.921 -5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.390 15.469 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.061 12.829 -6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.412 13.354 -6.116 1.00 0.00 H new ATOM 908 N GLU A 61 -9.926 13.005 -3.185 1.00 0.00 N ATOM 909 CA GLU A 61 -11.285 12.849 -2.678 1.00 0.00 C ATOM 910 C GLU A 61 -11.348 11.751 -1.621 1.00 0.00 C ATOM 911 O GLU A 61 -12.225 11.754 -0.758 1.00 0.00 O ATOM 912 CB GLU A 61 -12.246 12.525 -3.824 1.00 0.00 C ATOM 913 CG GLU A 61 -12.062 11.130 -4.397 1.00 0.00 C ATOM 914 CD GLU A 61 -12.548 11.019 -5.829 1.00 0.00 C ATOM 915 OE1 GLU A 61 -12.557 12.050 -6.534 1.00 0.00 O ATOM 916 OE2 GLU A 61 -12.920 9.902 -6.245 1.00 0.00 O ATOM 0 H GLU A 61 -9.641 12.291 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.584 13.790 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.271 12.630 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.108 13.257 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.007 10.860 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.601 10.413 -3.778 1.00 0.00 H new ATOM 923 N GLY A 62 -10.411 10.811 -1.695 1.00 0.00 N ATOM 924 CA GLY A 62 -10.378 9.719 -0.739 1.00 0.00 C ATOM 925 C GLY A 62 -9.729 10.115 0.572 1.00 0.00 C ATOM 926 O GLY A 62 -9.364 11.272 0.784 1.00 0.00 O ATOM 0 H GLY A 62 -9.674 10.786 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.395 9.376 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.834 8.879 -1.171 1.00 0.00 H new ATOM 930 N PRO A 63 -9.578 9.140 1.481 1.00 0.00 N ATOM 931 CA PRO A 63 -8.970 9.370 2.794 1.00 0.00 C ATOM 932 C PRO A 63 -7.473 9.647 2.700 1.00 0.00 C ATOM 933 O PRO A 63 -6.973 10.609 3.281 1.00 0.00 O ATOM 934 CB PRO A 63 -9.224 8.056 3.538 1.00 0.00 C ATOM 935 CG PRO A 63 -9.358 7.033 2.463 1.00 0.00 C ATOM 936 CD PRO A 63 -9.990 7.739 1.295 1.00 0.00 C ATOM 0 HA PRO A 63 -9.391 10.245 3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.401 7.817 4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.127 8.113 4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.385 6.623 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.975 6.198 2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.637 7.339 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.075 7.635 1.301 1.00 0.00 H new ATOM 944 N ALA A 64 -6.764 8.798 1.963 1.00 0.00 N ATOM 945 CA ALA A 64 -5.325 8.954 1.790 1.00 0.00 C ATOM 946 C ALA A 64 -4.947 10.422 1.634 1.00 0.00 C ATOM 947 O ALA A 64 -3.904 10.860 2.120 1.00 0.00 O ATOM 948 CB ALA A 64 -4.849 8.153 0.587 1.00 0.00 C ATOM 0 H ALA A 64 -7.163 7.995 1.476 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.832 8.573 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.773 8.278 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.077 7.098 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.356 8.508 -0.310 1.00 0.00 H new ATOM 954 N ALA A 65 -5.800 11.179 0.952 1.00 0.00 N ATOM 955 CA ALA A 65 -5.556 12.600 0.733 1.00 0.00 C ATOM 956 C ALA A 65 -5.986 13.424 1.941 1.00 0.00 C ATOM 957 O ALA A 65 -5.364 14.433 2.270 1.00 0.00 O ATOM 958 CB ALA A 65 -6.281 13.074 -0.518 1.00 0.00 C ATOM 0 H ALA A 65 -6.667 10.832 0.541 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.484 12.742 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.090 14.136 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.921 12.514 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.352 12.911 -0.401 1.00 0.00 H new ATOM 964 N ALA A 66 -7.056 12.987 2.598 1.00 0.00 N ATOM 965 CA ALA A 66 -7.569 13.684 3.771 1.00 0.00 C ATOM 966 C ALA A 66 -6.598 13.577 4.942 1.00 0.00 C ATOM 967 O ALA A 66 -6.208 14.585 5.532 1.00 0.00 O ATOM 968 CB ALA A 66 -8.931 13.129 4.161 1.00 0.00 C ATOM 0 H ALA A 66 -7.584 12.154 2.338 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.677 14.739 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.302 13.659 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.629 13.263 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.839 12.067 4.390 1.00 0.00 H new ATOM 974 N ASP A 67 -6.211 12.351 5.274 1.00 0.00 N ATOM 975 CA ASP A 67 -5.284 12.112 6.374 1.00 0.00 C ATOM 976 C ASP A 67 -3.951 12.810 6.123 1.00 0.00 C ATOM 977 O ASP A 67 -3.316 13.308 7.051 1.00 0.00 O ATOM 978 CB ASP A 67 -5.061 10.611 6.565 1.00 0.00 C ATOM 979 CG ASP A 67 -4.742 10.251 8.002 1.00 0.00 C ATOM 980 OD1 ASP A 67 -4.332 11.153 8.763 1.00 0.00 O ATOM 981 OD2 ASP A 67 -4.902 9.067 8.367 1.00 0.00 O ATOM 0 H ASP A 67 -6.525 11.506 4.797 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.723 12.524 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.953 10.071 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.244 10.283 5.922 1.00 0.00 H new ATOM 986 N GLY A 68 -3.534 12.841 4.861 1.00 0.00 N ATOM 987 CA GLY A 68 -2.278 13.478 4.511 1.00 0.00 C ATOM 988 C GLY A 68 -1.078 12.745 5.076 1.00 0.00 C ATOM 989 O GLY A 68 -0.197 13.357 5.682 1.00 0.00 O ATOM 0 H GLY A 68 -4.043 12.437 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.190 13.529 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.280 14.504 4.879 1.00 0.00 H new ATOM 993 N ARG A 69 -1.043 11.431 4.880 1.00 0.00 N ATOM 994 CA ARG A 69 0.057 10.614 5.378 1.00 0.00 C ATOM 995 C ARG A 69 0.732 9.858 4.237 1.00 0.00 C ATOM 996 O ARG A 69 1.959 9.793 4.163 1.00 0.00 O ATOM 997 CB ARG A 69 -0.450 9.625 6.430 1.00 0.00 C ATOM 998 CG ARG A 69 -0.814 10.277 7.753 1.00 0.00 C ATOM 999 CD ARG A 69 -0.868 9.258 8.881 1.00 0.00 C ATOM 1000 NE ARG A 69 -2.193 8.659 9.014 1.00 0.00 N ATOM 1001 CZ ARG A 69 -2.632 8.088 10.130 1.00 0.00 C ATOM 1002 NH1 ARG A 69 -1.856 8.040 11.204 1.00 0.00 N ATOM 1003 NH2 ARG A 69 -3.850 7.564 10.174 1.00 0.00 N ATOM 0 H ARG A 69 -1.763 10.910 4.380 1.00 0.00 H new ATOM 0 HA ARG A 69 0.791 11.277 5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.325 9.107 6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.316 8.870 6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.082 11.048 7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.781 10.772 7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.133 8.475 8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.592 9.740 9.819 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.815 8.680 8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.919 8.442 11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.196 7.601 12.060 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.450 7.599 9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.186 7.126 11.032 1.00 0.00 H new ATOM 1017 N MET A 70 -0.078 9.287 3.351 1.00 0.00 N ATOM 1018 CA MET A 70 0.442 8.537 2.214 1.00 0.00 C ATOM 1019 C MET A 70 1.050 9.474 1.176 1.00 0.00 C ATOM 1020 O MET A 70 0.666 10.640 1.078 1.00 0.00 O ATOM 1021 CB MET A 70 -0.670 7.703 1.575 1.00 0.00 C ATOM 1022 CG MET A 70 -0.782 6.298 2.147 1.00 0.00 C ATOM 1023 SD MET A 70 -1.436 5.113 0.956 1.00 0.00 S ATOM 1024 CE MET A 70 0.079 4.418 0.303 1.00 0.00 C ATOM 0 H MET A 70 -1.096 9.329 3.399 1.00 0.00 H new ATOM 0 HA MET A 70 1.224 7.870 2.578 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.621 8.218 1.709 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.492 7.636 0.502 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.201 5.967 2.481 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.427 6.318 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.012 3.333 0.248 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.262 4.817 -0.694 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.911 4.680 0.957 1.00 0.00 H new ATOM 1034 N ARG A 71 2.001 8.958 0.404 1.00 0.00 N ATOM 1035 CA ARG A 71 2.663 9.749 -0.626 1.00 0.00 C ATOM 1036 C ARG A 71 2.852 8.934 -1.901 1.00 0.00 C ATOM 1037 O ARG A 71 2.562 7.738 -1.933 1.00 0.00 O ATOM 1038 CB ARG A 71 4.018 10.250 -0.122 1.00 0.00 C ATOM 1039 CG ARG A 71 3.943 10.968 1.216 1.00 0.00 C ATOM 1040 CD ARG A 71 3.721 12.461 1.035 1.00 0.00 C ATOM 1041 NE ARG A 71 2.335 12.773 0.699 1.00 0.00 N ATOM 1042 CZ ARG A 71 1.816 13.993 0.775 1.00 0.00 C ATOM 1043 NH1 ARG A 71 2.566 15.012 1.172 1.00 0.00 N ATOM 1044 NH2 ARG A 71 0.545 14.197 0.452 1.00 0.00 N ATOM 0 H ARG A 71 2.330 7.995 0.473 1.00 0.00 H new ATOM 0 HA ARG A 71 2.029 10.605 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.699 9.403 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.445 10.925 -0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.132 10.548 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.865 10.801 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.998 12.982 1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.377 12.832 0.247 1.00 0.00 H new ATOM 0 HE ARG A 71 1.732 12.011 0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.544 14.860 1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.165 15.948 1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.035 13.416 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.148 15.135 0.511 1.00 0.00 H new ATOM 1058 N ILE A 72 3.340 9.589 -2.949 1.00 0.00 N ATOM 1059 CA ILE A 72 3.569 8.924 -4.226 1.00 0.00 C ATOM 1060 C ILE A 72 4.891 8.164 -4.222 1.00 0.00 C ATOM 1061 O ILE A 72 5.956 8.752 -4.040 1.00 0.00 O ATOM 1062 CB ILE A 72 3.572 9.931 -5.392 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.385 10.888 -5.271 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.535 9.197 -6.725 1.00 0.00 C ATOM 1065 CD1 ILE A 72 1.086 10.198 -4.913 1.00 0.00 C ATOM 0 H ILE A 72 3.584 10.579 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 72 2.749 8.220 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 72 4.491 10.515 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.609 11.638 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.258 11.417 -6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.538 9.921 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.410 8.553 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.631 8.591 -6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.288 10.937 -4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.838 9.467 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.195 9.692 -3.954 1.00 0.00 H new ATOM 1077 N GLY A 73 4.815 6.853 -4.425 1.00 0.00 N ATOM 1078 CA GLY A 73 6.012 6.034 -4.443 1.00 0.00 C ATOM 1079 C GLY A 73 5.928 4.863 -3.483 1.00 0.00 C ATOM 1080 O GLY A 73 6.675 3.892 -3.611 1.00 0.00 O ATOM 0 H GLY A 73 3.945 6.343 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.178 5.660 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.874 6.650 -4.186 1.00 0.00 H new ATOM 1084 N ASP A 74 5.018 4.954 -2.520 1.00 0.00 N ATOM 1085 CA ASP A 74 4.840 3.894 -1.534 1.00 0.00 C ATOM 1086 C ASP A 74 4.442 2.585 -2.210 1.00 0.00 C ATOM 1087 O ASP A 74 3.601 2.570 -3.108 1.00 0.00 O ATOM 1088 CB ASP A 74 3.778 4.296 -0.509 1.00 0.00 C ATOM 1089 CG ASP A 74 4.236 5.435 0.382 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.387 5.386 0.863 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.442 6.375 0.596 1.00 0.00 O ATOM 0 H ASP A 74 4.392 5.750 -2.401 1.00 0.00 H new ATOM 0 HA ASP A 74 5.790 3.744 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.867 4.590 -1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.528 3.433 0.108 1.00 0.00 H new ATOM 1096 N GLU A 75 5.054 1.489 -1.772 1.00 0.00 N ATOM 1097 CA GLU A 75 4.765 0.176 -2.336 1.00 0.00 C ATOM 1098 C GLU A 75 3.987 -0.683 -1.344 1.00 0.00 C ATOM 1099 O GLU A 75 4.564 -1.264 -0.423 1.00 0.00 O ATOM 1100 CB GLU A 75 6.063 -0.530 -2.733 1.00 0.00 C ATOM 1101 CG GLU A 75 5.866 -1.981 -3.139 1.00 0.00 C ATOM 1102 CD GLU A 75 7.172 -2.748 -3.215 1.00 0.00 C ATOM 1103 OE1 GLU A 75 7.859 -2.647 -4.254 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.508 -3.448 -2.238 1.00 0.00 O ATOM 0 H GLU A 75 5.753 1.485 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 75 4.151 0.318 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.523 0.011 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.761 -0.487 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.204 -2.468 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.370 -2.019 -4.109 1.00 0.00 H new ATOM 1111 N LEU A 76 2.675 -0.759 -1.537 1.00 0.00 N ATOM 1112 CA LEU A 76 1.817 -1.547 -0.659 1.00 0.00 C ATOM 1113 C LEU A 76 2.369 -2.957 -0.480 1.00 0.00 C ATOM 1114 O LEU A 76 2.794 -3.596 -1.444 1.00 0.00 O ATOM 1115 CB LEU A 76 0.397 -1.610 -1.224 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.338 -0.275 -1.344 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.621 -0.442 -2.143 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.637 0.295 0.035 1.00 0.00 C ATOM 0 H LEU A 76 2.182 -0.285 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 76 1.792 -1.061 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.441 -2.068 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.195 -2.272 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 76 0.307 0.427 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.131 0.519 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.382 -0.805 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.271 -1.159 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.160 1.245 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.262 -0.404 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.297 0.453 0.574 1.00 0.00 H new ATOM 1130 N LEU A 77 2.358 -3.439 0.758 1.00 0.00 N ATOM 1131 CA LEU A 77 2.856 -4.776 1.063 1.00 0.00 C ATOM 1132 C LEU A 77 1.750 -5.648 1.648 1.00 0.00 C ATOM 1133 O LEU A 77 1.652 -6.835 1.337 1.00 0.00 O ATOM 1134 CB LEU A 77 4.028 -4.694 2.042 1.00 0.00 C ATOM 1135 CG LEU A 77 5.223 -3.855 1.589 1.00 0.00 C ATOM 1136 CD1 LEU A 77 6.058 -3.426 2.786 1.00 0.00 C ATOM 1137 CD2 LEU A 77 6.073 -4.630 0.594 1.00 0.00 C ATOM 0 H LEU A 77 2.010 -2.924 1.567 1.00 0.00 H new ATOM 0 HA LEU A 77 3.199 -5.230 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.661 -4.288 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.377 -5.706 2.246 1.00 0.00 H new ATOM 0 HG LEU A 77 4.847 -2.960 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.904 -2.830 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.445 -2.831 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.424 -4.309 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.919 -4.017 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.440 -5.543 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.470 -4.886 -0.277 1.00 0.00 H new ATOM 1149 N GLU A 78 0.917 -5.051 2.496 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.183 -5.774 3.123 1.00 0.00 C ATOM 1151 C GLU A 78 -1.372 -4.849 3.368 1.00 0.00 C ATOM 1152 O GLU A 78 -1.206 -3.643 3.552 1.00 0.00 O ATOM 1153 CB GLU A 78 0.274 -6.396 4.444 1.00 0.00 C ATOM 1154 CG GLU A 78 1.576 -7.172 4.332 1.00 0.00 C ATOM 1155 CD GLU A 78 1.912 -7.933 5.601 1.00 0.00 C ATOM 1156 OE1 GLU A 78 1.029 -8.046 6.477 1.00 0.00 O ATOM 1157 OE2 GLU A 78 3.058 -8.415 5.717 1.00 0.00 O ATOM 0 H GLU A 78 0.984 -4.069 2.764 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.496 -6.568 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.394 -5.606 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.506 -7.063 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.507 -7.873 3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.387 -6.482 4.101 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.570 -5.423 3.369 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.786 -4.652 3.592 1.00 0.00 C ATOM 1166 C ILE A 79 -4.878 -5.515 4.216 1.00 0.00 C ATOM 1167 O ILE A 79 -5.157 -6.616 3.746 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.316 -4.044 2.280 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.273 -3.104 1.670 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.622 -3.304 2.528 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.641 -2.606 0.290 1.00 0.00 C ATOM 0 H ILE A 79 -2.724 -6.420 3.218 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.526 -3.846 4.278 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.507 -4.852 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.136 -2.249 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.316 -3.622 1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.984 -2.880 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.364 -3.998 2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.455 -2.503 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.857 -1.945 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.749 -3.454 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.582 -2.059 0.340 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.493 -5.004 5.278 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.556 -5.727 5.966 1.00 0.00 C ATOM 1185 C ASN A 80 -6.137 -7.166 6.253 1.00 0.00 C ATOM 1186 O ASN A 80 -6.918 -8.099 6.066 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.836 -5.714 5.129 1.00 0.00 C ATOM 1188 CG ASN A 80 -9.044 -6.193 5.911 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.460 -5.407 6.897 1.00 0.00 O flip ATOM 1190 ND2 ASN A 80 -9.596 -7.257 5.631 1.00 0.00 N flip ATOM 0 H ASN A 80 -5.273 -4.093 5.680 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.746 -5.226 6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.019 -4.703 4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.700 -6.347 4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.242 -7.829 4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.408 -7.567 6.165 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.901 -7.338 6.707 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.378 -8.663 7.020 1.00 0.00 C ATOM 1199 C ASN A 81 -4.334 -9.539 5.771 1.00 0.00 C ATOM 1200 O ASN A 81 -4.884 -10.640 5.754 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.236 -9.332 8.096 1.00 0.00 C ATOM 1202 CG ASN A 81 -4.813 -8.940 9.498 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -5.572 -8.311 10.235 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -3.595 -9.312 9.874 1.00 0.00 N ATOM 0 H ASN A 81 -4.242 -6.576 6.867 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.362 -8.546 7.396 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.281 -9.060 7.945 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.170 -10.415 7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.255 -9.077 10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.999 -9.832 9.230 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.676 -9.042 4.729 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.561 -9.779 3.476 1.00 0.00 C ATOM 1213 C GLN A 82 -2.322 -9.345 2.701 1.00 0.00 C ATOM 1214 O GLN A 82 -2.186 -8.177 2.333 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.812 -9.571 2.620 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.003 -10.400 3.072 1.00 0.00 C ATOM 1217 CD GLN A 82 -7.060 -10.538 1.994 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -6.747 -10.784 0.829 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -8.322 -10.382 2.378 1.00 0.00 N ATOM 0 H GLN A 82 -3.214 -8.132 4.727 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.465 -10.838 3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.085 -8.516 2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.579 -9.819 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.660 -11.391 3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.447 -9.940 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.537 -10.179 3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.076 -10.465 1.697 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.422 -10.290 2.456 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.194 -10.005 1.724 1.00 0.00 C ATOM 1230 C ILE A 83 -0.470 -9.831 0.234 1.00 0.00 C ATOM 1231 O ILE A 83 -1.088 -10.689 -0.398 1.00 0.00 O ATOM 1232 CB ILE A 83 0.848 -11.123 1.914 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.117 -11.351 3.403 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.137 -10.775 1.185 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.232 -12.337 3.671 1.00 0.00 C ATOM 0 H ILE A 83 -1.520 -11.261 2.754 1.00 0.00 H new ATOM 0 HA ILE A 83 0.205 -9.075 2.129 1.00 0.00 H new ATOM 0 HB ILE A 83 0.451 -12.045 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.366 -10.398 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.204 -11.709 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.864 -11.575 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.933 -10.657 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.540 -9.843 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.367 -12.450 4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.977 -13.303 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.157 -11.971 3.225 1.00 0.00 H new ATOM 1247 N LEU A 84 -0.008 -8.717 -0.322 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.203 -8.431 -1.739 1.00 0.00 C ATOM 1249 C LEU A 84 1.067 -8.721 -2.533 1.00 0.00 C ATOM 1250 O LEU A 84 1.021 -8.909 -3.749 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.617 -6.971 -1.932 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.601 -6.411 -0.905 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.641 -4.892 -0.977 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.989 -6.994 -1.122 1.00 0.00 C ATOM 0 H LEU A 84 0.504 -7.997 0.187 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.997 -9.080 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.282 -6.355 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.059 -6.868 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.260 -6.698 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.347 -4.511 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.648 -4.492 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.956 -4.583 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.676 -6.584 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.339 -6.738 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.949 -8.078 -1.018 1.00 0.00 H new ATOM 1266 N TYR A 85 2.198 -8.757 -1.837 1.00 0.00 N ATOM 1267 CA TYR A 85 3.481 -9.024 -2.477 1.00 0.00 C ATOM 1268 C TYR A 85 3.387 -10.234 -3.402 1.00 0.00 C ATOM 1269 O TYR A 85 3.505 -11.377 -2.962 1.00 0.00 O ATOM 1270 CB TYR A 85 4.562 -9.258 -1.421 1.00 0.00 C ATOM 1271 CG TYR A 85 5.937 -9.497 -2.005 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.325 -10.764 -2.422 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.847 -8.456 -2.138 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.580 -10.987 -2.955 1.00 0.00 C ATOM 1275 CE2 TYR A 85 8.103 -8.670 -2.672 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.465 -9.937 -3.078 1.00 0.00 C ATOM 1277 OH TYR A 85 9.716 -10.154 -3.609 1.00 0.00 O ATOM 0 H TYR A 85 2.253 -8.605 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 85 3.749 -8.153 -3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.603 -8.394 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.282 -10.116 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.634 -11.589 -2.328 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.568 -7.463 -1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.866 -11.978 -3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.798 -7.849 -2.771 1.00 0.00 H new ATOM 0 HH TYR A 85 10.215 -9.311 -3.627 1.00 0.00 H new ATOM 1287 N GLY A 86 3.174 -9.972 -4.688 1.00 0.00 N ATOM 1288 CA GLY A 86 3.068 -11.048 -5.656 1.00 0.00 C ATOM 1289 C GLY A 86 1.691 -11.130 -6.284 1.00 0.00 C ATOM 1290 O GLY A 86 1.230 -12.212 -6.649 1.00 0.00 O ATOM 0 H GLY A 86 3.073 -9.034 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.813 -10.903 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.298 -11.995 -5.168 1.00 0.00 H new ATOM 1294 N ARG A 87 1.030 -9.983 -6.410 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.304 -9.930 -6.995 1.00 0.00 C ATOM 1296 C ARG A 87 -0.499 -8.641 -7.788 1.00 0.00 C ATOM 1297 O ARG A 87 0.289 -7.702 -7.669 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.368 -10.035 -5.902 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.440 -11.407 -5.251 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.098 -11.340 -3.882 1.00 0.00 C ATOM 1301 NE ARG A 87 -2.005 -12.611 -3.167 1.00 0.00 N ATOM 1302 CZ ARG A 87 -2.667 -13.705 -3.525 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -3.466 -13.684 -4.583 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -2.530 -14.824 -2.825 1.00 0.00 N ATOM 0 H ARG A 87 1.397 -9.078 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.408 -10.775 -7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.163 -9.288 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.341 -9.794 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.001 -12.086 -5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.435 -11.818 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.625 -10.556 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.146 -11.064 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.399 -12.661 -2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.573 -12.826 -5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.973 -14.526 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.916 -14.844 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.039 -15.664 -3.101 1.00 0.00 H new ATOM 1318 N SER A 88 -1.553 -8.603 -8.596 1.00 0.00 N ATOM 1319 CA SER A 88 -1.849 -7.431 -9.412 1.00 0.00 C ATOM 1320 C SER A 88 -2.490 -6.331 -8.570 1.00 0.00 C ATOM 1321 O SER A 88 -3.238 -6.608 -7.632 1.00 0.00 O ATOM 1322 CB SER A 88 -2.776 -7.809 -10.568 1.00 0.00 C ATOM 1323 OG SER A 88 -3.940 -8.465 -10.096 1.00 0.00 O ATOM 0 H SER A 88 -2.217 -9.370 -8.703 1.00 0.00 H new ATOM 0 HA SER A 88 -0.910 -7.054 -9.817 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.059 -6.912 -11.119 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.247 -8.458 -11.265 1.00 0.00 H new ATOM 0 HG SER A 88 -4.517 -8.694 -10.855 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.191 -5.082 -8.912 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.737 -3.939 -8.189 1.00 0.00 C ATOM 1331 C HIS A 89 -4.248 -4.074 -8.023 1.00 0.00 C ATOM 1332 O HIS A 89 -4.783 -3.856 -6.937 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.407 -2.640 -8.923 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.687 -2.694 -10.394 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.928 -2.430 -10.934 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -1.878 -2.983 -11.439 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.870 -2.555 -12.247 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.637 -2.890 -12.580 1.00 0.00 N ATOM 0 H HIS A 89 -1.573 -4.836 -9.685 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.281 -3.914 -7.199 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.983 -1.827 -8.482 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.354 -2.404 -8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.830 -3.239 -11.386 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.692 -2.408 -12.932 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.303 -3.053 -13.530 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.928 -4.434 -9.107 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.377 -4.596 -9.080 1.00 0.00 C ATOM 1349 C GLN A 90 -6.813 -5.392 -7.855 1.00 0.00 C ATOM 1350 O GLN A 90 -7.806 -5.060 -7.208 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.857 -5.293 -10.354 1.00 0.00 C ATOM 1352 CG GLN A 90 -7.032 -4.351 -11.534 1.00 0.00 C ATOM 1353 CD GLN A 90 -7.015 -5.075 -12.866 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -5.975 -4.836 -13.656 1.00 0.00 O flip ATOM 1355 NE2 GLN A 90 -7.927 -5.840 -13.181 1.00 0.00 N flip ATOM 0 H GLN A 90 -4.499 -4.619 -10.014 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.827 -3.605 -9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.143 -6.071 -10.624 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.807 -5.788 -10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.975 -3.814 -11.429 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.237 -3.605 -11.520 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.707 -5.994 -12.542 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.902 -6.320 -14.081 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.064 -6.445 -7.542 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.375 -7.290 -6.394 1.00 0.00 C ATOM 1366 C ASN A 91 -6.357 -6.480 -5.102 1.00 0.00 C ATOM 1367 O ASN A 91 -7.286 -6.553 -4.298 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.375 -8.444 -6.300 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.539 -9.445 -7.427 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -6.184 -9.160 -8.436 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -4.955 -10.626 -7.260 1.00 0.00 N ATOM 0 H ASN A 91 -5.238 -6.733 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.377 -7.696 -6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.361 -8.045 -6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.501 -8.953 -5.344 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.032 -11.340 -7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.430 -10.819 -6.407 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.293 -5.707 -4.909 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.155 -4.881 -3.716 1.00 0.00 C ATOM 1380 C ALA A 92 -6.430 -4.090 -3.445 1.00 0.00 C ATOM 1381 O ALA A 92 -7.072 -4.264 -2.410 1.00 0.00 O ATOM 1382 CB ALA A 92 -3.968 -3.940 -3.860 1.00 0.00 C ATOM 0 H ALA A 92 -4.514 -5.636 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.981 -5.541 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.877 -3.329 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.057 -4.522 -3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.119 -3.294 -4.725 1.00 0.00 H new ATOM 1388 N SER A 93 -6.791 -3.219 -4.383 1.00 0.00 N ATOM 1389 CA SER A 93 -7.988 -2.398 -4.243 1.00 0.00 C ATOM 1390 C SER A 93 -9.191 -3.252 -3.857 1.00 0.00 C ATOM 1391 O SER A 93 -10.004 -2.858 -3.022 1.00 0.00 O ATOM 1392 CB SER A 93 -8.275 -1.651 -5.547 1.00 0.00 C ATOM 1393 OG SER A 93 -7.626 -0.392 -5.567 1.00 0.00 O ATOM 0 H SER A 93 -6.272 -3.064 -5.247 1.00 0.00 H new ATOM 0 HA SER A 93 -7.810 -1.673 -3.449 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.940 -2.250 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.350 -1.511 -5.661 1.00 0.00 H new ATOM 0 HG SER A 93 -7.824 0.065 -6.411 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.297 -4.426 -4.472 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.399 -5.338 -4.192 1.00 0.00 C ATOM 1401 C ALA A 94 -10.449 -5.702 -2.712 1.00 0.00 C ATOM 1402 O ALA A 94 -11.499 -5.610 -2.075 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.274 -6.593 -5.043 1.00 0.00 C ATOM 0 H ALA A 94 -8.633 -4.767 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.330 -4.832 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.103 -7.265 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.297 -6.321 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.332 -7.093 -4.818 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.308 -6.116 -2.171 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.222 -6.494 -0.766 1.00 0.00 C ATOM 1411 C ILE A 95 -9.733 -5.376 0.136 1.00 0.00 C ATOM 1412 O ILE A 95 -10.410 -5.629 1.133 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.777 -6.842 -0.364 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.283 -8.057 -1.153 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.692 -7.106 1.132 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.783 -8.244 -1.100 1.00 0.00 C ATOM 0 H ILE A 95 -8.430 -6.198 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.849 -7.377 -0.638 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.136 -5.993 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.766 -8.953 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.591 -7.954 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.664 -7.351 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.007 -6.216 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.343 -7.941 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.505 -9.124 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.292 -7.364 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.470 -8.379 -0.065 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.406 -4.139 -0.222 1.00 0.00 N ATOM 1429 CA ILE A 96 -9.834 -2.981 0.554 1.00 0.00 C ATOM 1430 C ILE A 96 -11.351 -2.828 0.520 1.00 0.00 C ATOM 1431 O ILE A 96 -11.990 -2.630 1.554 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.187 -1.684 0.034 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.682 -1.694 0.308 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -9.840 -0.471 0.678 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -6.918 -0.649 -0.475 1.00 0.00 C ATOM 0 H ILE A 96 -8.846 -3.913 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.511 -3.152 1.581 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.341 -1.625 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.514 -1.533 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.284 -2.680 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.372 0.438 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.903 -0.459 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.714 -0.521 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.858 -0.714 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.056 -0.821 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.289 0.343 -0.217 1.00 0.00 H new ATOM 1447 N LYS A 97 -11.924 -2.923 -0.675 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.366 -2.798 -0.845 1.00 0.00 C ATOM 1449 C LYS A 97 -14.109 -3.726 0.111 1.00 0.00 C ATOM 1450 O LYS A 97 -15.109 -3.339 0.717 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.760 -3.116 -2.290 1.00 0.00 C ATOM 1452 CG LYS A 97 -14.998 -2.373 -2.761 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.204 -2.526 -4.258 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.248 -1.643 -5.046 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.439 -1.791 -6.515 1.00 0.00 N ATOM 0 H LYS A 97 -11.411 -3.086 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.646 -1.770 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.926 -2.869 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.933 -4.188 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.873 -2.750 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.906 -1.316 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.056 -3.568 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.232 -2.269 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.399 -0.601 -4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.221 -1.898 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.769 -1.173 -7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.270 -2.780 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.412 -1.524 -6.767 1.00 0.00 H new ATOM 1469 N THR A 98 -13.613 -4.952 0.243 1.00 0.00 N ATOM 1470 CA THR A 98 -14.230 -5.935 1.126 1.00 0.00 C ATOM 1471 C THR A 98 -13.921 -5.631 2.587 1.00 0.00 C ATOM 1472 O THR A 98 -14.671 -6.018 3.483 1.00 0.00 O ATOM 1473 CB THR A 98 -13.753 -7.362 0.797 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.338 -7.465 0.998 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.094 -7.730 -0.639 1.00 0.00 C ATOM 0 H THR A 98 -12.786 -5.288 -0.250 1.00 0.00 H new ATOM 0 HA THR A 98 -15.306 -5.874 0.965 1.00 0.00 H new ATOM 0 HB THR A 98 -14.266 -8.055 1.464 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.947 -6.567 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.747 -8.742 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.174 -7.680 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.606 -7.032 -1.319 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.812 -4.937 2.821 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.405 -4.579 4.174 1.00 0.00 C ATOM 1485 C ALA A 99 -13.347 -3.540 4.773 1.00 0.00 C ATOM 1486 O ALA A 99 -13.992 -2.769 4.063 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.975 -4.062 4.176 1.00 0.00 C ATOM 0 H ALA A 99 -12.179 -4.611 2.090 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.455 -5.476 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.685 -3.799 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.308 -4.836 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.906 -3.180 3.539 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.429 -3.517 6.112 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.290 -2.577 6.836 1.00 0.00 C ATOM 1495 C PRO A 100 -13.785 -1.141 6.745 1.00 0.00 C ATOM 1496 O PRO A 100 -12.712 -0.884 6.198 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.224 -3.077 8.281 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.922 -3.795 8.375 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.689 -4.408 7.022 1.00 0.00 C ATOM 0 HA PRO A 100 -15.300 -2.549 6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.272 -2.249 8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.059 -3.740 8.509 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.116 -3.109 8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.954 -4.561 9.150 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.628 -4.444 6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.062 -5.431 6.975 1.00 0.00 H new ATOM 1507 N SER A 101 -14.563 -0.209 7.286 1.00 0.00 N ATOM 1508 CA SER A 101 -14.196 1.202 7.263 1.00 0.00 C ATOM 1509 C SER A 101 -12.724 1.385 7.620 1.00 0.00 C ATOM 1510 O SER A 101 -11.953 1.961 6.851 1.00 0.00 O ATOM 1511 CB SER A 101 -15.071 1.994 8.235 1.00 0.00 C ATOM 1512 OG SER A 101 -16.356 2.232 7.688 1.00 0.00 O ATOM 0 H SER A 101 -15.452 -0.406 7.746 1.00 0.00 H new ATOM 0 HA SER A 101 -14.357 1.578 6.253 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.167 1.445 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.591 2.944 8.470 1.00 0.00 H new ATOM 0 HG SER A 101 -16.896 2.739 8.330 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.340 0.892 8.792 1.00 0.00 N ATOM 1519 CA LYS A 102 -10.961 0.999 9.253 1.00 0.00 C ATOM 1520 C LYS A 102 -10.090 -0.084 8.622 1.00 0.00 C ATOM 1521 O LYS A 102 -10.297 -1.275 8.856 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.901 0.891 10.778 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.620 1.445 11.378 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.850 1.994 12.775 1.00 0.00 C ATOM 1525 CE LYS A 102 -10.238 3.465 12.740 1.00 0.00 C ATOM 1526 NZ LYS A 102 -10.507 4.001 14.103 1.00 0.00 N ATOM 0 H LYS A 102 -12.965 0.414 9.441 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.578 1.973 8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.752 1.422 11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.003 -0.156 11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.865 0.660 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.228 2.234 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.636 1.421 13.267 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.945 1.870 13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.438 4.041 12.275 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.124 3.592 12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.768 5.005 14.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.288 3.469 14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.653 3.904 14.689 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.116 0.338 7.823 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.212 -0.595 7.161 1.00 0.00 C ATOM 1542 C VAL A 103 -6.756 -0.249 7.449 1.00 0.00 C ATOM 1543 O VAL A 103 -6.386 0.924 7.511 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.434 -0.605 5.636 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.684 -1.763 4.995 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.919 -0.678 5.315 1.00 0.00 C ATOM 0 H VAL A 103 -8.932 1.320 7.618 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.432 -1.585 7.560 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.041 0.324 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.853 -1.754 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.618 -1.662 5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.044 -2.704 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.058 -0.684 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.339 -1.590 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.426 0.188 5.741 1.00 0.00 H new ATOM 1556 N LYS A 104 -5.932 -1.276 7.624 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.515 -1.083 7.904 1.00 0.00 C ATOM 1558 C LYS A 104 -3.681 -1.261 6.639 1.00 0.00 C ATOM 1559 O LYS A 104 -3.653 -2.341 6.049 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.047 -2.066 8.979 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.549 -2.030 9.226 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.046 -3.343 9.802 1.00 0.00 C ATOM 1563 CE LYS A 104 -0.690 -3.176 10.470 1.00 0.00 C ATOM 1564 NZ LYS A 104 -0.415 -4.267 11.446 1.00 0.00 N ATOM 0 H LYS A 104 -6.222 -2.253 7.577 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.378 -0.065 8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.566 -1.845 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.334 -3.076 8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.030 -1.820 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.312 -1.217 9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.766 -3.723 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.972 -4.086 9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.091 -3.164 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.653 -2.214 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.518 -4.118 11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.146 -4.263 12.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.425 -5.183 10.954 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.001 -0.196 6.230 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.164 -0.235 5.035 1.00 0.00 C ATOM 1580 C LEU A 105 -0.685 -0.244 5.407 1.00 0.00 C ATOM 1581 O LEU A 105 -0.190 0.682 6.049 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.469 0.965 4.136 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.943 1.199 3.806 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.205 2.676 3.552 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.359 0.367 2.601 1.00 0.00 C ATOM 0 H LEU A 105 -3.012 0.705 6.708 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.389 -1.154 4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.078 1.862 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.923 0.841 3.201 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.541 0.886 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.259 2.824 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.947 3.250 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.597 3.014 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.411 0.546 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.755 0.648 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.209 -0.690 2.820 1.00 0.00 H new ATOM 1597 N VAL A 106 0.016 -1.296 4.996 1.00 0.00 N ATOM 1598 CA VAL A 106 1.440 -1.425 5.283 1.00 0.00 C ATOM 1599 C VAL A 106 2.272 -1.266 4.015 1.00 0.00 C ATOM 1600 O VAL A 106 2.366 -2.185 3.202 1.00 0.00 O ATOM 1601 CB VAL A 106 1.762 -2.786 5.928 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.255 -2.913 6.190 1.00 0.00 C ATOM 1603 CG2 VAL A 106 0.969 -2.966 7.214 1.00 0.00 C ATOM 0 H VAL A 106 -0.379 -2.071 4.463 1.00 0.00 H new ATOM 0 HA VAL A 106 1.695 -0.630 5.984 1.00 0.00 H new ATOM 0 HB VAL A 106 1.471 -3.575 5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.463 -3.881 6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.798 -2.831 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.575 -2.118 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.208 -3.933 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.227 -2.172 7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.097 -2.922 6.993 1.00 0.00 H new ATOM 1613 N PHE A 107 2.876 -0.093 3.854 1.00 0.00 N ATOM 1614 CA PHE A 107 3.701 0.188 2.684 1.00 0.00 C ATOM 1615 C PHE A 107 5.070 0.717 3.099 1.00 0.00 C ATOM 1616 O PHE A 107 5.309 0.996 4.275 1.00 0.00 O ATOM 1617 CB PHE A 107 3.004 1.201 1.774 1.00 0.00 C ATOM 1618 CG PHE A 107 2.741 2.522 2.438 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.753 3.460 2.568 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.483 2.827 2.930 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.514 4.676 3.180 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.238 4.042 3.542 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.254 4.968 3.666 1.00 0.00 C ATOM 0 H PHE A 107 2.810 0.678 4.518 1.00 0.00 H new ATOM 0 HA PHE A 107 3.842 -0.744 2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.618 1.365 0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.058 0.780 1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.739 3.238 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.684 2.107 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.312 5.397 3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.253 4.266 3.923 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.065 5.919 4.142 1.00 0.00 H new ATOM 1633 N ILE A 108 5.966 0.852 2.127 1.00 0.00 N ATOM 1634 CA ILE A 108 7.311 1.348 2.390 1.00 0.00 C ATOM 1635 C ILE A 108 7.526 2.718 1.755 1.00 0.00 C ATOM 1636 O ILE A 108 6.855 3.076 0.787 1.00 0.00 O ATOM 1637 CB ILE A 108 8.383 0.376 1.863 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.780 0.868 2.245 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.263 0.224 0.354 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.799 -0.244 2.368 1.00 0.00 C ATOM 0 H ILE A 108 5.784 0.625 1.149 1.00 0.00 H new ATOM 0 HA ILE A 108 7.410 1.432 3.472 1.00 0.00 H new ATOM 0 HB ILE A 108 8.225 -0.600 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.122 1.582 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.722 1.403 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.027 -0.466 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.276 -0.166 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.400 1.195 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.766 0.178 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.479 -0.947 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.886 -0.765 1.414 1.00 0.00 H new ATOM 1652 N ARG A 109 8.466 3.478 2.306 1.00 0.00 N ATOM 1653 CA ARG A 109 8.770 4.808 1.793 1.00 0.00 C ATOM 1654 C ARG A 109 10.159 4.843 1.162 1.00 0.00 C ATOM 1655 O ARG A 109 11.159 5.047 1.850 1.00 0.00 O ATOM 1656 CB ARG A 109 8.682 5.844 2.916 1.00 0.00 C ATOM 1657 CG ARG A 109 8.762 7.281 2.427 1.00 0.00 C ATOM 1658 CD ARG A 109 8.111 8.241 3.410 1.00 0.00 C ATOM 1659 NE ARG A 109 6.672 8.358 3.191 1.00 0.00 N ATOM 1660 CZ ARG A 109 5.819 8.781 4.117 1.00 0.00 C ATOM 1661 NH1 ARG A 109 6.259 9.125 5.320 1.00 0.00 N ATOM 1662 NH2 ARG A 109 4.524 8.860 3.841 1.00 0.00 N ATOM 0 H ARG A 109 9.030 3.196 3.107 1.00 0.00 H new ATOM 0 HA ARG A 109 8.035 5.051 1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.745 5.704 3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.489 5.666 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.806 7.559 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.272 7.364 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.296 7.898 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.573 9.224 3.316 1.00 0.00 H new ATOM 0 HE ARG A 109 6.301 8.101 2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 109 7.254 9.065 5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.602 9.450 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.182 8.596 2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 109 3.870 9.185 4.553 1.00 0.00 H new ATOM 1676 N ASN A 110 10.213 4.643 -0.150 1.00 0.00 N ATOM 1677 CA ASN A 110 11.479 4.651 -0.874 1.00 0.00 C ATOM 1678 C ASN A 110 11.450 5.667 -2.011 1.00 0.00 C ATOM 1679 O ASN A 110 10.685 5.525 -2.964 1.00 0.00 O ATOM 1680 CB ASN A 110 11.782 3.257 -1.428 1.00 0.00 C ATOM 1681 CG ASN A 110 12.988 3.250 -2.347 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.522 4.303 -2.698 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.424 2.059 -2.742 1.00 0.00 N ATOM 0 H ASN A 110 9.394 4.473 -0.734 1.00 0.00 H new ATOM 0 HA ASN A 110 12.266 4.937 -0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.956 2.570 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.912 2.888 -1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.232 1.991 -3.361 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.951 1.212 -2.426 1.00 0.00 H new ATOM 1690 N GLU A 111 12.290 6.693 -1.902 1.00 0.00 N ATOM 1691 CA GLU A 111 12.360 7.733 -2.921 1.00 0.00 C ATOM 1692 C GLU A 111 12.528 7.124 -4.310 1.00 0.00 C ATOM 1693 O GLU A 111 11.894 7.559 -5.271 1.00 0.00 O ATOM 1694 CB GLU A 111 13.518 8.689 -2.627 1.00 0.00 C ATOM 1695 CG GLU A 111 13.413 10.016 -3.361 1.00 0.00 C ATOM 1696 CD GLU A 111 14.764 10.667 -3.583 1.00 0.00 C ATOM 1697 OE1 GLU A 111 15.681 10.423 -2.770 1.00 0.00 O ATOM 1698 OE2 GLU A 111 14.905 11.421 -4.568 1.00 0.00 O ATOM 0 H GLU A 111 12.930 6.825 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 111 11.424 8.291 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.558 8.879 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.456 8.205 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.928 9.857 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.777 10.693 -2.791 1.00 0.00 H new ATOM 1705 N ASP A 112 13.388 6.115 -4.406 1.00 0.00 N ATOM 1706 CA ASP A 112 13.640 5.445 -5.677 1.00 0.00 C ATOM 1707 C ASP A 112 12.364 4.812 -6.221 1.00 0.00 C ATOM 1708 O ASP A 112 12.194 4.674 -7.432 1.00 0.00 O ATOM 1709 CB ASP A 112 14.722 4.377 -5.508 1.00 0.00 C ATOM 1710 CG ASP A 112 16.059 4.966 -5.102 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.068 5.905 -4.277 1.00 0.00 O ATOM 1712 OD2 ASP A 112 17.096 4.488 -5.607 1.00 0.00 O ATOM 0 H ASP A 112 13.922 5.744 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 112 13.985 6.192 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.402 3.656 -4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.838 3.830 -6.444 1.00 0.00 H new ATOM 1717 N ALA A 113 11.468 4.428 -5.317 1.00 0.00 N ATOM 1718 CA ALA A 113 10.207 3.810 -5.706 1.00 0.00 C ATOM 1719 C ALA A 113 9.447 4.689 -6.693 1.00 0.00 C ATOM 1720 O ALA A 113 8.887 4.198 -7.674 1.00 0.00 O ATOM 1721 CB ALA A 113 9.353 3.533 -4.477 1.00 0.00 C ATOM 0 H ALA A 113 11.593 4.534 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 113 10.431 2.864 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.414 3.071 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.887 2.859 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.145 4.470 -3.960 1.00 0.00 H new ATOM 1727 N VAL A 114 9.429 5.991 -6.427 1.00 0.00 N ATOM 1728 CA VAL A 114 8.738 6.939 -7.292 1.00 0.00 C ATOM 1729 C VAL A 114 9.023 6.651 -8.762 1.00 0.00 C ATOM 1730 O VAL A 114 8.168 6.854 -9.622 1.00 0.00 O ATOM 1731 CB VAL A 114 9.147 8.390 -6.976 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.839 8.727 -5.525 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.621 8.606 -7.281 1.00 0.00 C ATOM 0 H VAL A 114 9.886 6.413 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 114 7.671 6.821 -7.102 1.00 0.00 H new ATOM 0 HB VAL A 114 8.567 9.060 -7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 114 9.135 9.756 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.770 8.614 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.391 8.053 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.893 9.636 -7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.221 7.929 -6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.807 8.408 -8.337 1.00 0.00 H new ATOM 1743 N ASN A 115 10.233 6.176 -9.042 1.00 0.00 N ATOM 1744 CA ASN A 115 10.632 5.860 -10.409 1.00 0.00 C ATOM 1745 C ASN A 115 10.333 4.401 -10.739 1.00 0.00 C ATOM 1746 O ASN A 115 9.692 4.102 -11.747 1.00 0.00 O ATOM 1747 CB ASN A 115 12.123 6.143 -10.605 1.00 0.00 C ATOM 1748 CG ASN A 115 12.464 7.608 -10.406 1.00 0.00 C ATOM 1749 OD1 ASN A 115 11.909 8.482 -11.071 1.00 0.00 O ATOM 1750 ND2 ASN A 115 13.383 7.881 -9.486 1.00 0.00 N ATOM 0 H ASN A 115 10.953 6.002 -8.341 1.00 0.00 H new ATOM 0 HA ASN A 115 10.056 6.493 -11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 115 12.700 5.540 -9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 115 12.420 5.837 -11.608 1.00 0.00 H new ATOM 0 HD21 ASN A 115 13.654 8.848 -9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 115 13.817 7.124 -8.958 1.00 0.00 H new ATOM 1757 N GLN A 116 10.800 3.498 -9.883 1.00 0.00 N ATOM 1758 CA GLN A 116 10.582 2.071 -10.085 1.00 0.00 C ATOM 1759 C GLN A 116 9.135 1.791 -10.477 1.00 0.00 C ATOM 1760 O GLN A 116 8.863 0.928 -11.311 1.00 0.00 O ATOM 1761 CB GLN A 116 10.938 1.295 -8.815 1.00 0.00 C ATOM 1762 CG GLN A 116 12.432 1.220 -8.547 1.00 0.00 C ATOM 1763 CD GLN A 116 13.236 0.932 -9.799 1.00 0.00 C ATOM 1764 OE1 GLN A 116 13.168 -0.164 -10.356 1.00 0.00 O ATOM 1765 NE2 GLN A 116 14.005 1.916 -10.249 1.00 0.00 N ATOM 0 H GLN A 116 11.331 3.729 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 116 11.229 1.742 -10.898 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.447 1.765 -7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.540 0.283 -8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.767 2.162 -8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.626 0.442 -7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.031 2.809 -9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 116 14.570 1.779 -11.087 1.00 0.00 H new ATOM 1774 N MET A 117 8.210 2.527 -9.869 1.00 0.00 N ATOM 1775 CA MET A 117 6.790 2.358 -10.156 1.00 0.00 C ATOM 1776 C MET A 117 6.461 2.832 -11.568 1.00 0.00 C ATOM 1777 O MET A 117 6.741 3.973 -11.932 1.00 0.00 O ATOM 1778 CB MET A 117 5.947 3.128 -9.138 1.00 0.00 C ATOM 1779 CG MET A 117 6.193 4.628 -9.156 1.00 0.00 C ATOM 1780 SD MET A 117 5.267 5.499 -7.877 1.00 0.00 S ATOM 1781 CE MET A 117 5.449 7.195 -8.423 1.00 0.00 C ATOM 0 H MET A 117 8.418 3.245 -9.175 1.00 0.00 H new ATOM 0 HA MET A 117 6.554 1.296 -10.084 1.00 0.00 H new ATOM 0 HB2 MET A 117 4.892 2.939 -9.335 1.00 0.00 H new ATOM 0 HB3 MET A 117 6.159 2.745 -8.140 1.00 0.00 H new ATOM 0 HG2 MET A 117 7.258 4.819 -9.022 1.00 0.00 H new ATOM 0 HG3 MET A 117 5.918 5.026 -10.133 1.00 0.00 H new ATOM 0 HE1 MET A 117 6.057 7.745 -7.705 1.00 0.00 H new ATOM 0 HE2 MET A 117 5.935 7.213 -9.399 1.00 0.00 H new ATOM 0 HE3 MET A 117 4.466 7.660 -8.498 1.00 0.00 H new ATOM 1791 N ALA A 118 5.864 1.947 -12.360 1.00 0.00 N ATOM 1792 CA ALA A 118 5.495 2.275 -13.732 1.00 0.00 C ATOM 1793 C ALA A 118 4.387 3.323 -13.766 1.00 0.00 C ATOM 1794 O ALA A 118 3.207 2.996 -13.636 1.00 0.00 O ATOM 1795 CB ALA A 118 5.062 1.021 -14.477 1.00 0.00 C ATOM 0 H ALA A 118 5.626 0.997 -12.075 1.00 0.00 H new ATOM 0 HA ALA A 118 6.371 2.694 -14.228 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.789 1.281 -15.500 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.883 0.305 -14.491 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.203 0.578 -13.974 1.00 0.00 H new ATOM 1801 N SER A 119 4.775 4.582 -13.942 1.00 0.00 N ATOM 1802 CA SER A 119 3.814 5.678 -13.990 1.00 0.00 C ATOM 1803 C SER A 119 2.874 5.525 -15.182 1.00 0.00 C ATOM 1804 O SER A 119 3.311 5.262 -16.301 1.00 0.00 O ATOM 1805 CB SER A 119 4.543 7.020 -14.069 1.00 0.00 C ATOM 1806 OG SER A 119 3.661 8.097 -13.804 1.00 0.00 O ATOM 0 H SER A 119 5.748 4.868 -14.054 1.00 0.00 H new ATOM 0 HA SER A 119 3.221 5.649 -13.076 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.364 7.034 -13.352 1.00 0.00 H new ATOM 0 HB3 SER A 119 4.982 7.141 -15.059 1.00 0.00 H new ATOM 0 HG SER A 119 4.152 8.943 -13.859 1.00 0.00 H new ATOM 1812 N GLY A 120 1.579 5.693 -14.932 1.00 0.00 N ATOM 1813 CA GLY A 120 0.597 5.571 -15.993 1.00 0.00 C ATOM 1814 C GLY A 120 -0.535 4.629 -15.630 1.00 0.00 C ATOM 1815 O GLY A 120 -0.473 3.425 -15.879 1.00 0.00 O ATOM 0 H GLY A 120 1.193 5.911 -14.014 1.00 0.00 H new ATOM 0 HA2 GLY A 120 0.188 6.555 -16.220 1.00 0.00 H new ATOM 0 HA3 GLY A 120 1.087 5.213 -16.898 1.00 0.00 H new ATOM 1819 N PRO A 121 -1.597 5.181 -15.024 1.00 0.00 N ATOM 1820 CA PRO A 121 -2.767 4.399 -14.612 1.00 0.00 C ATOM 1821 C PRO A 121 -3.580 3.901 -15.802 1.00 0.00 C ATOM 1822 O PRO A 121 -4.591 3.219 -15.634 1.00 0.00 O ATOM 1823 CB PRO A 121 -3.584 5.395 -13.785 1.00 0.00 C ATOM 1824 CG PRO A 121 -3.183 6.734 -14.299 1.00 0.00 C ATOM 1825 CD PRO A 121 -1.738 6.609 -14.696 1.00 0.00 C ATOM 0 HA PRO A 121 -2.485 3.499 -14.065 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.654 5.228 -13.908 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.367 5.298 -12.721 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -3.798 7.025 -15.151 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -3.313 7.500 -13.535 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.500 7.243 -15.550 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.072 6.903 -13.885 1.00 0.00 H new ATOM 1833 N SER A 122 -3.132 4.247 -17.005 1.00 0.00 N ATOM 1834 CA SER A 122 -3.821 3.837 -18.223 1.00 0.00 C ATOM 1835 C SER A 122 -3.821 2.318 -18.363 1.00 0.00 C ATOM 1836 O SER A 122 -4.858 1.671 -18.226 1.00 0.00 O ATOM 1837 CB SER A 122 -3.159 4.473 -19.447 1.00 0.00 C ATOM 1838 OG SER A 122 -3.615 5.801 -19.642 1.00 0.00 O ATOM 0 H SER A 122 -2.296 4.810 -17.162 1.00 0.00 H new ATOM 0 HA SER A 122 -4.854 4.178 -18.159 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.076 4.472 -19.320 1.00 0.00 H new ATOM 0 HB3 SER A 122 -3.377 3.877 -20.333 1.00 0.00 H new ATOM 0 HG SER A 122 -3.176 6.185 -20.429 1.00 0.00 H new ATOM 1844 N SER A 123 -2.648 1.755 -18.637 1.00 0.00 N ATOM 1845 CA SER A 123 -2.511 0.313 -18.800 1.00 0.00 C ATOM 1846 C SER A 123 -2.086 -0.344 -17.490 1.00 0.00 C ATOM 1847 O SER A 123 -2.807 -1.172 -16.935 1.00 0.00 O ATOM 1848 CB SER A 123 -1.493 -0.004 -19.897 1.00 0.00 C ATOM 1849 OG SER A 123 -0.167 0.161 -19.425 1.00 0.00 O ATOM 0 H SER A 123 -1.779 2.276 -18.751 1.00 0.00 H new ATOM 0 HA SER A 123 -3.482 -0.089 -19.089 1.00 0.00 H new ATOM 0 HB2 SER A 123 -1.634 -1.028 -20.244 1.00 0.00 H new ATOM 0 HB3 SER A 123 -1.661 0.649 -20.754 1.00 0.00 H new ATOM 0 HG SER A 123 0.465 -0.049 -20.144 1.00 0.00 H new ATOM 1855 N GLY A 124 -0.908 0.034 -17.001 1.00 0.00 N ATOM 1856 CA GLY A 124 -0.406 -0.527 -15.761 1.00 0.00 C ATOM 1857 C GLY A 124 -1.351 -0.302 -14.598 1.00 0.00 C ATOM 1858 O GLY A 124 -1.608 0.837 -14.209 1.00 0.00 O ATOM 0 H GLY A 124 -0.293 0.718 -17.442 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -0.242 -1.597 -15.890 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.562 -0.082 -15.530 1.00 0.00 H new TER 1862 GLY A 124