USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN :FLIP amide:sc= -3.45 F(o=-9.5!,f=-4.9) USER MOD Set 1.2: A 37 MET CE :methyl 168:sc= -1.47 (180deg=-1.16) USER MOD Set 2.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 23 ASN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : A 1 SER N :NH3+ -109:sc= 0.107 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -84:sc= 0.996 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.883 K(o=0.88,f=-0.021) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 70:sc= 0.636 USER MOD Single : A 45 MET CE :methyl -177:sc= 0 (180deg=-0.0076) USER MOD Single : A 46 ASN : amide:sc= -0.868 X(o=-0.87,f=-0.77) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 120:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0516 X(o=-0.052,f=-0.12) USER MOD Single : A 57 THR OG1 : rot 97:sc= 0.565 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00894 X(o=-0.0089,f=-0.15) USER MOD Single : A 72 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.7) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.00172 X(o=0.0017,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= -0.099 (180deg=-0.204) USER MOD Single : A 85 TYR OH : rot 92:sc= -1.69 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 76:sc= 1.26 USER MOD Single : A 92 HIS :FLIP no HD1:sc= -3.3! C(o=-4.9!,f=-3.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS :FLIP no HD1:sc= -2.26 F(o=-3.1,f=-2.3) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.313 27.559 -8.127 1.00 0.00 N ATOM 2 CA SER A 1 -6.135 26.993 -8.834 1.00 0.00 C ATOM 3 C SER A 1 -6.273 25.484 -9.010 1.00 0.00 C ATOM 4 O SER A 1 -7.251 24.884 -8.564 1.00 0.00 O ATOM 5 CB SER A 1 -4.879 27.317 -8.024 1.00 0.00 C ATOM 6 OG SER A 1 -4.903 26.667 -6.763 1.00 0.00 O ATOM 0 H1 SER A 1 -7.884 28.116 -8.794 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.890 26.785 -7.740 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.991 28.172 -7.351 1.00 0.00 H new ATOM 0 HA SER A 1 -6.066 27.436 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.994 27.007 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.803 28.395 -7.880 1.00 0.00 H new ATOM 0 HG SER A 1 -4.089 26.889 -6.265 1.00 0.00 H new ATOM 14 N ALA A 2 -5.289 24.877 -9.665 1.00 0.00 N ATOM 15 CA ALA A 2 -5.301 23.437 -9.901 1.00 0.00 C ATOM 16 C ALA A 2 -4.343 22.718 -8.954 1.00 0.00 C ATOM 17 O ALA A 2 -3.945 23.268 -7.927 1.00 0.00 O ATOM 18 CB ALA A 2 -4.944 23.139 -11.351 1.00 0.00 C ATOM 0 H ALA A 2 -4.473 25.359 -10.042 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.307 23.067 -9.704 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.956 22.061 -11.515 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.671 23.614 -12.010 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.949 23.528 -11.568 1.00 0.00 H new ATOM 24 N LEU A 3 -3.971 21.490 -9.305 1.00 0.00 N ATOM 25 CA LEU A 3 -3.055 20.707 -8.484 1.00 0.00 C ATOM 26 C LEU A 3 -1.671 21.351 -8.463 1.00 0.00 C ATOM 27 O LEU A 3 -1.021 21.482 -9.501 1.00 0.00 O ATOM 28 CB LEU A 3 -2.959 19.273 -9.014 1.00 0.00 C ATOM 29 CG LEU A 3 -3.775 18.241 -8.236 1.00 0.00 C ATOM 30 CD1 LEU A 3 -3.611 16.859 -8.852 1.00 0.00 C ATOM 31 CD2 LEU A 3 -3.358 18.225 -6.773 1.00 0.00 C ATOM 0 H LEU A 3 -4.290 21.017 -10.151 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.443 20.681 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.286 19.263 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.913 18.968 -9.006 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.827 18.521 -8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.199 16.136 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.957 16.878 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.560 16.572 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.949 17.485 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.301 17.969 -6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.525 19.210 -6.336 1.00 0.00 H new ATOM 43 N LEU A 4 -1.227 21.753 -7.277 1.00 0.00 N ATOM 44 CA LEU A 4 0.079 22.384 -7.124 1.00 0.00 C ATOM 45 C LEU A 4 1.195 21.348 -7.203 1.00 0.00 C ATOM 46 O LEU A 4 1.095 20.270 -6.617 1.00 0.00 O ATOM 47 CB LEU A 4 0.153 23.128 -5.789 1.00 0.00 C ATOM 48 CG LEU A 4 -0.646 24.432 -5.729 1.00 0.00 C ATOM 49 CD1 LEU A 4 -1.299 24.597 -4.365 1.00 0.00 C ATOM 50 CD2 LEU A 4 0.250 25.621 -6.039 1.00 0.00 C ATOM 0 H LEU A 4 -1.752 21.653 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 4 0.210 23.096 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.203 22.465 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.198 23.350 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.432 24.388 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.862 25.530 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.974 23.761 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.529 24.619 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.335 26.540 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.058 25.668 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.670 25.509 -7.039 1.00 0.00 H new ATOM 62 N LYS A 5 2.257 21.677 -7.936 1.00 0.00 N ATOM 63 CA LYS A 5 3.389 20.768 -8.098 1.00 0.00 C ATOM 64 C LYS A 5 3.852 20.219 -6.751 1.00 0.00 C ATOM 65 O LYS A 5 4.360 19.103 -6.669 1.00 0.00 O ATOM 66 CB LYS A 5 4.550 21.483 -8.795 1.00 0.00 C ATOM 67 CG LYS A 5 4.201 22.004 -10.181 1.00 0.00 C ATOM 68 CD LYS A 5 4.434 23.503 -10.294 1.00 0.00 C ATOM 69 CE LYS A 5 3.137 24.284 -10.144 1.00 0.00 C ATOM 70 NZ LYS A 5 3.130 25.118 -8.911 1.00 0.00 N ATOM 0 H LYS A 5 2.357 22.566 -8.427 1.00 0.00 H new ATOM 0 HA LYS A 5 3.060 19.932 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.877 22.317 -8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.393 20.796 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.803 21.485 -10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.157 21.780 -10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.141 23.821 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.886 23.730 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.996 24.923 -11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.297 23.590 -10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.229 25.634 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.239 24.506 -8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.916 25.798 -8.947 1.00 0.00 H new ATOM 84 N ALA A 6 3.665 21.004 -5.697 1.00 0.00 N ATOM 85 CA ALA A 6 4.057 20.586 -4.357 1.00 0.00 C ATOM 86 C ALA A 6 3.189 19.422 -3.882 1.00 0.00 C ATOM 87 O ALA A 6 3.684 18.461 -3.287 1.00 0.00 O ATOM 88 CB ALA A 6 3.955 21.754 -3.387 1.00 0.00 C ATOM 0 H ALA A 6 3.245 21.932 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 6 5.094 20.251 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.251 21.426 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.614 22.558 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.927 22.116 -3.360 1.00 0.00 H new ATOM 94 N ASN A 7 1.894 19.510 -4.167 1.00 0.00 N ATOM 95 CA ASN A 7 0.953 18.464 -3.785 1.00 0.00 C ATOM 96 C ASN A 7 1.077 17.269 -4.721 1.00 0.00 C ATOM 97 O ASN A 7 1.096 16.120 -4.280 1.00 0.00 O ATOM 98 CB ASN A 7 -0.479 19.001 -3.811 1.00 0.00 C ATOM 99 CG ASN A 7 -0.879 19.648 -2.500 1.00 0.00 C ATOM 100 OD1 ASN A 7 -0.244 20.599 -2.044 1.00 0.00 O ATOM 101 ND2 ASN A 7 -1.938 19.135 -1.885 1.00 0.00 N ATOM 0 H ASN A 7 1.472 20.296 -4.662 1.00 0.00 H new ATOM 0 HA ASN A 7 1.191 18.142 -2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.576 19.729 -4.616 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.166 18.185 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.254 19.530 -0.999 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.435 18.346 -2.298 1.00 0.00 H new ATOM 108 N LYS A 8 1.172 17.551 -6.016 1.00 0.00 N ATOM 109 CA LYS A 8 1.304 16.500 -7.015 1.00 0.00 C ATOM 110 C LYS A 8 2.634 15.775 -6.852 1.00 0.00 C ATOM 111 O LYS A 8 2.719 14.562 -7.036 1.00 0.00 O ATOM 112 CB LYS A 8 1.197 17.085 -8.424 1.00 0.00 C ATOM 113 CG LYS A 8 1.291 16.040 -9.524 1.00 0.00 C ATOM 114 CD LYS A 8 2.710 15.918 -10.056 1.00 0.00 C ATOM 115 CE LYS A 8 3.161 17.198 -10.741 1.00 0.00 C ATOM 116 NZ LYS A 8 4.369 17.778 -10.094 1.00 0.00 N ATOM 0 H LYS A 8 1.160 18.497 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 8 0.494 15.785 -6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.249 17.615 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.989 17.821 -8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.961 15.075 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.617 16.306 -10.339 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.388 15.685 -9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.765 15.088 -10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.374 16.993 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.351 17.927 -10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.644 18.649 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.158 17.998 -9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.150 17.093 -10.139 1.00 0.00 H new ATOM 130 N ASP A 9 3.670 16.527 -6.495 1.00 0.00 N ATOM 131 CA ASP A 9 4.992 15.952 -6.295 1.00 0.00 C ATOM 132 C ASP A 9 4.985 15.046 -5.073 1.00 0.00 C ATOM 133 O ASP A 9 5.452 13.910 -5.128 1.00 0.00 O ATOM 134 CB ASP A 9 6.041 17.054 -6.125 1.00 0.00 C ATOM 135 CG ASP A 9 7.439 16.498 -5.936 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.782 16.128 -4.793 1.00 0.00 O ATOM 137 OD2 ASP A 9 8.191 16.431 -6.931 1.00 0.00 O ATOM 0 H ASP A 9 3.618 17.534 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 9 5.250 15.363 -7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.027 17.703 -7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.779 17.671 -5.266 1.00 0.00 H new ATOM 142 N LEU A 10 4.440 15.552 -3.972 1.00 0.00 N ATOM 143 CA LEU A 10 4.363 14.776 -2.743 1.00 0.00 C ATOM 144 C LEU A 10 3.444 13.571 -2.925 1.00 0.00 C ATOM 145 O LEU A 10 3.746 12.471 -2.460 1.00 0.00 O ATOM 146 CB LEU A 10 3.864 15.646 -1.585 1.00 0.00 C ATOM 147 CG LEU A 10 4.786 15.688 -0.363 1.00 0.00 C ATOM 148 CD1 LEU A 10 4.912 14.304 0.258 1.00 0.00 C ATOM 149 CD2 LEU A 10 6.155 16.231 -0.747 1.00 0.00 C ATOM 0 H LEU A 10 4.047 16.491 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 10 5.365 14.419 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.722 16.663 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.886 15.281 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 10 4.348 16.357 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.571 14.353 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.928 13.954 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.328 13.613 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.797 16.254 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.602 15.588 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.048 17.240 -1.144 1.00 0.00 H new ATOM 161 N ILE A 11 2.314 13.784 -3.601 1.00 0.00 N ATOM 162 CA ILE A 11 1.357 12.709 -3.827 1.00 0.00 C ATOM 163 C ILE A 11 1.919 11.648 -4.773 1.00 0.00 C ATOM 164 O ILE A 11 1.894 10.458 -4.459 1.00 0.00 O ATOM 165 CB ILE A 11 0.004 13.258 -4.355 1.00 0.00 C ATOM 166 CG1 ILE A 11 -1.155 12.429 -3.795 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.052 13.292 -5.879 1.00 0.00 C ATOM 168 CD1 ILE A 11 -1.184 11.005 -4.304 1.00 0.00 C ATOM 0 H ILE A 11 2.044 14.684 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 11 1.173 12.233 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.088 14.288 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.088 12.416 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.096 12.916 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.018 13.683 -6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.743 13.934 -6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.078 12.283 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.031 10.479 -3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.282 11.009 -5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.259 10.500 -4.025 1.00 0.00 H new ATOM 180 N SER A 12 2.423 12.071 -5.930 1.00 0.00 N ATOM 181 CA SER A 12 2.982 11.136 -6.902 1.00 0.00 C ATOM 182 C SER A 12 4.265 10.506 -6.375 1.00 0.00 C ATOM 183 O SER A 12 4.498 9.315 -6.568 1.00 0.00 O ATOM 184 CB SER A 12 3.260 11.851 -8.225 1.00 0.00 C ATOM 185 OG SER A 12 4.384 12.706 -8.114 1.00 0.00 O ATOM 0 H SER A 12 2.456 13.050 -6.216 1.00 0.00 H new ATOM 0 HA SER A 12 2.251 10.345 -7.069 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.434 11.115 -9.010 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.385 12.431 -8.520 1.00 0.00 H new ATOM 0 HG SER A 12 4.105 13.565 -7.734 1.00 0.00 H new ATOM 191 N ALA A 13 5.088 11.300 -5.698 1.00 0.00 N ATOM 192 CA ALA A 13 6.331 10.787 -5.138 1.00 0.00 C ATOM 193 C ALA A 13 6.018 9.721 -4.102 1.00 0.00 C ATOM 194 O ALA A 13 6.727 8.722 -3.981 1.00 0.00 O ATOM 195 CB ALA A 13 7.154 11.909 -4.524 1.00 0.00 C ATOM 0 H ALA A 13 4.919 12.291 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 13 6.923 10.344 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.077 11.500 -4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.393 12.646 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.582 12.386 -3.728 1.00 0.00 H new ATOM 201 N GLY A 14 4.929 9.932 -3.374 1.00 0.00 N ATOM 202 CA GLY A 14 4.516 8.968 -2.382 1.00 0.00 C ATOM 203 C GLY A 14 3.949 7.729 -3.038 1.00 0.00 C ATOM 204 O GLY A 14 4.090 6.622 -2.520 1.00 0.00 O ATOM 0 H GLY A 14 4.328 10.752 -3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.366 8.697 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.767 9.413 -1.726 1.00 0.00 H new ATOM 208 N LEU A 15 3.309 7.916 -4.192 1.00 0.00 N ATOM 209 CA LEU A 15 2.723 6.803 -4.925 1.00 0.00 C ATOM 210 C LEU A 15 3.800 5.973 -5.613 1.00 0.00 C ATOM 211 O LEU A 15 3.719 4.746 -5.642 1.00 0.00 O ATOM 212 CB LEU A 15 1.729 7.329 -5.964 1.00 0.00 C ATOM 213 CG LEU A 15 0.255 7.134 -5.605 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.493 8.459 -5.660 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.392 6.115 -6.531 1.00 0.00 C ATOM 0 H LEU A 15 3.185 8.826 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 15 2.201 6.163 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.913 8.393 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.924 6.834 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 15 0.200 6.754 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.539 8.297 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.048 9.158 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.428 8.872 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.440 5.990 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.323 6.464 -7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.123 5.159 -6.437 1.00 0.00 H new ATOM 227 N LYS A 16 4.802 6.640 -6.176 1.00 0.00 N ATOM 228 CA LYS A 16 5.877 5.943 -6.869 1.00 0.00 C ATOM 229 C LYS A 16 6.731 5.156 -5.882 1.00 0.00 C ATOM 230 O LYS A 16 7.064 3.997 -6.125 1.00 0.00 O ATOM 231 CB LYS A 16 6.735 6.937 -7.668 1.00 0.00 C ATOM 232 CG LYS A 16 7.666 7.786 -6.816 1.00 0.00 C ATOM 233 CD LYS A 16 8.946 7.042 -6.468 1.00 0.00 C ATOM 234 CE LYS A 16 10.169 7.734 -7.048 1.00 0.00 C ATOM 235 NZ LYS A 16 10.503 7.228 -8.409 1.00 0.00 N ATOM 0 H LYS A 16 4.891 7.656 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 16 5.435 5.235 -7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.330 6.383 -8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.076 7.596 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.912 8.704 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.154 8.079 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.045 6.974 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.890 6.022 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.990 8.808 -7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.021 7.581 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.343 7.726 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.699 6.208 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.701 7.397 -9.049 1.00 0.00 H new ATOM 249 N GLU A 17 7.071 5.785 -4.762 1.00 0.00 N ATOM 250 CA GLU A 17 7.873 5.130 -3.740 1.00 0.00 C ATOM 251 C GLU A 17 7.081 3.997 -3.095 1.00 0.00 C ATOM 252 O GLU A 17 7.625 2.933 -2.794 1.00 0.00 O ATOM 253 CB GLU A 17 8.311 6.140 -2.676 1.00 0.00 C ATOM 254 CG GLU A 17 9.745 6.620 -2.846 1.00 0.00 C ATOM 255 CD GLU A 17 10.567 6.465 -1.580 1.00 0.00 C ATOM 256 OE1 GLU A 17 10.199 7.075 -0.555 1.00 0.00 O ATOM 257 OE2 GLU A 17 11.579 5.734 -1.616 1.00 0.00 O ATOM 0 H GLU A 17 6.804 6.744 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 17 8.763 4.713 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.643 7.000 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.203 5.687 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.218 6.060 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.740 7.668 -3.145 1.00 0.00 H new ATOM 264 N PHE A 18 5.789 4.234 -2.888 1.00 0.00 N ATOM 265 CA PHE A 18 4.917 3.238 -2.279 1.00 0.00 C ATOM 266 C PHE A 18 4.603 2.110 -3.256 1.00 0.00 C ATOM 267 O PHE A 18 4.436 0.961 -2.852 1.00 0.00 O ATOM 268 CB PHE A 18 3.619 3.886 -1.797 1.00 0.00 C ATOM 269 CG PHE A 18 2.866 3.058 -0.794 1.00 0.00 C ATOM 270 CD1 PHE A 18 1.954 2.100 -1.208 1.00 0.00 C ATOM 271 CD2 PHE A 18 3.065 3.245 0.563 1.00 0.00 C ATOM 272 CE1 PHE A 18 1.255 1.344 -0.285 1.00 0.00 C ATOM 273 CE2 PHE A 18 2.371 2.491 1.491 1.00 0.00 C ATOM 274 CZ PHE A 18 1.466 1.539 1.066 1.00 0.00 C ATOM 0 H PHE A 18 5.324 5.108 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 18 5.443 2.815 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.850 4.855 -1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.976 4.073 -2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.787 1.942 -2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.771 3.989 0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.545 0.602 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.537 2.646 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.924 0.948 1.789 1.00 0.00 H new ATOM 284 N SER A 19 4.527 2.436 -4.544 1.00 0.00 N ATOM 285 CA SER A 19 4.235 1.434 -5.562 1.00 0.00 C ATOM 286 C SER A 19 5.398 0.464 -5.715 1.00 0.00 C ATOM 287 O SER A 19 5.198 -0.746 -5.784 1.00 0.00 O ATOM 288 CB SER A 19 3.941 2.108 -6.903 1.00 0.00 C ATOM 289 OG SER A 19 3.508 1.161 -7.864 1.00 0.00 O ATOM 0 H SER A 19 4.663 3.380 -4.905 1.00 0.00 H new ATOM 0 HA SER A 19 3.355 0.875 -5.244 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.175 2.872 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.837 2.614 -7.264 1.00 0.00 H new ATOM 0 HG SER A 19 3.325 1.616 -8.712 1.00 0.00 H new ATOM 295 N VAL A 20 6.615 1.000 -5.746 1.00 0.00 N ATOM 296 CA VAL A 20 7.804 0.167 -5.865 1.00 0.00 C ATOM 297 C VAL A 20 7.990 -0.629 -4.586 1.00 0.00 C ATOM 298 O VAL A 20 8.372 -1.799 -4.609 1.00 0.00 O ATOM 299 CB VAL A 20 9.076 1.000 -6.119 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.208 0.111 -6.612 1.00 0.00 C ATOM 301 CG2 VAL A 20 8.801 2.124 -7.108 1.00 0.00 C ATOM 0 H VAL A 20 6.802 2.001 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 20 7.656 -0.494 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 20 9.382 1.451 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.097 0.717 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.427 -0.649 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.912 -0.373 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.714 2.697 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.464 1.701 -8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.027 2.779 -6.708 1.00 0.00 H new ATOM 311 N LEU A 21 7.699 0.026 -3.470 1.00 0.00 N ATOM 312 CA LEU A 21 7.811 -0.600 -2.161 1.00 0.00 C ATOM 313 C LEU A 21 6.961 -1.866 -2.101 1.00 0.00 C ATOM 314 O LEU A 21 7.416 -2.908 -1.627 1.00 0.00 O ATOM 315 CB LEU A 21 7.384 0.377 -1.060 1.00 0.00 C ATOM 316 CG LEU A 21 7.259 -0.232 0.339 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.493 -1.055 0.677 1.00 0.00 C ATOM 318 CD2 LEU A 21 7.043 0.860 1.377 1.00 0.00 C ATOM 0 H LEU A 21 7.382 0.995 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 21 8.854 -0.872 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.106 1.193 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.424 0.814 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 21 6.393 -0.894 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.385 -1.479 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.604 -1.860 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.376 -0.416 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.956 0.410 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.889 1.547 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.129 1.406 1.145 1.00 0.00 H new ATOM 330 N LEU A 22 5.724 -1.771 -2.586 1.00 0.00 N ATOM 331 CA LEU A 22 4.819 -2.916 -2.582 1.00 0.00 C ATOM 332 C LEU A 22 5.138 -3.880 -3.723 1.00 0.00 C ATOM 333 O LEU A 22 5.248 -5.088 -3.513 1.00 0.00 O ATOM 334 CB LEU A 22 3.366 -2.449 -2.706 1.00 0.00 C ATOM 335 CG LEU A 22 2.887 -1.479 -1.623 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.369 -1.462 -1.567 1.00 0.00 C ATOM 337 CD2 LEU A 22 3.463 -1.853 -0.265 1.00 0.00 C ATOM 0 H LEU A 22 5.329 -0.919 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 22 4.956 -3.438 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.238 -1.972 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.719 -3.326 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 22 3.241 -0.480 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.041 -0.768 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.973 -1.143 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.002 -2.462 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.108 -1.149 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.143 -2.860 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.552 -1.818 -0.309 1.00 0.00 H new ATOM 349 N ASN A 23 5.281 -3.341 -4.929 1.00 0.00 N ATOM 350 CA ASN A 23 5.577 -4.157 -6.102 1.00 0.00 C ATOM 351 C ASN A 23 6.873 -4.945 -5.938 1.00 0.00 C ATOM 352 O ASN A 23 7.113 -5.906 -6.670 1.00 0.00 O ATOM 353 CB ASN A 23 5.663 -3.283 -7.354 1.00 0.00 C ATOM 354 CG ASN A 23 4.332 -3.176 -8.074 1.00 0.00 C ATOM 355 OD1 ASN A 23 3.849 -4.148 -8.655 1.00 0.00 O ATOM 356 ND2 ASN A 23 3.733 -1.991 -8.040 1.00 0.00 N ATOM 0 H ASN A 23 5.197 -2.343 -5.120 1.00 0.00 H new ATOM 0 HA ASN A 23 4.760 -4.871 -6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.004 -2.286 -7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.409 -3.697 -8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.836 -1.859 -8.508 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.170 -1.213 -7.546 1.00 0.00 H new ATOM 363 N GLN A 24 7.714 -4.541 -4.991 1.00 0.00 N ATOM 364 CA GLN A 24 8.979 -5.233 -4.777 1.00 0.00 C ATOM 365 C GLN A 24 8.807 -6.433 -3.853 1.00 0.00 C ATOM 366 O GLN A 24 9.469 -6.553 -2.821 1.00 0.00 O ATOM 367 CB GLN A 24 10.041 -4.278 -4.228 1.00 0.00 C ATOM 368 CG GLN A 24 11.462 -4.785 -4.415 1.00 0.00 C ATOM 369 CD GLN A 24 12.385 -4.379 -3.283 1.00 0.00 C ATOM 370 OE1 GLN A 24 13.058 -5.219 -2.683 1.00 0.00 O ATOM 371 NE2 GLN A 24 12.422 -3.086 -2.984 1.00 0.00 N ATOM 0 H GLN A 24 7.546 -3.750 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 24 9.318 -5.602 -5.745 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.940 -3.311 -4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.858 -4.114 -3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.448 -5.872 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.858 -4.403 -5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.848 -2.425 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.025 -2.754 -2.231 1.00 0.00 H new ATOM 380 N GLN A 25 7.932 -7.332 -4.272 1.00 0.00 N ATOM 381 CA GLN A 25 7.667 -8.560 -3.544 1.00 0.00 C ATOM 382 C GLN A 25 7.995 -9.745 -4.435 1.00 0.00 C ATOM 383 O GLN A 25 8.371 -9.565 -5.593 1.00 0.00 O ATOM 384 CB GLN A 25 6.213 -8.617 -3.080 1.00 0.00 C ATOM 385 CG GLN A 25 5.920 -7.774 -1.846 1.00 0.00 C ATOM 386 CD GLN A 25 7.021 -7.841 -0.804 1.00 0.00 C ATOM 387 OE1 GLN A 25 7.544 -9.040 -0.574 1.00 0.00 O flip ATOM 388 NE2 GLN A 25 7.400 -6.828 -0.218 1.00 0.00 N flip ATOM 0 H GLN A 25 7.385 -7.230 -5.127 1.00 0.00 H new ATOM 0 HA GLN A 25 8.295 -8.592 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.570 -8.285 -3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.951 -9.654 -2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.776 -6.737 -2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.984 -8.108 -1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.970 -5.927 -0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.145 -6.889 0.476 1.00 0.00 H new ATOM 397 N VAL A 26 7.871 -10.954 -3.908 1.00 0.00 N ATOM 398 CA VAL A 26 8.180 -12.134 -4.698 1.00 0.00 C ATOM 399 C VAL A 26 6.936 -12.962 -5.020 1.00 0.00 C ATOM 400 O VAL A 26 6.905 -14.170 -4.781 1.00 0.00 O ATOM 401 CB VAL A 26 9.235 -13.013 -3.999 1.00 0.00 C ATOM 402 CG1 VAL A 26 8.655 -13.691 -2.765 1.00 0.00 C ATOM 403 CG2 VAL A 26 9.800 -14.030 -4.978 1.00 0.00 C ATOM 0 H VAL A 26 7.564 -11.142 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 26 8.590 -11.774 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 26 10.051 -12.374 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.422 -14.305 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.312 -12.933 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.815 -14.321 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.545 -14.646 -4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.995 -14.665 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.266 -13.510 -5.815 1.00 0.00 H new ATOM 413 N PHE A 27 5.901 -12.305 -5.543 1.00 0.00 N ATOM 414 CA PHE A 27 4.657 -13.004 -5.859 1.00 0.00 C ATOM 415 C PHE A 27 4.914 -14.056 -6.924 1.00 0.00 C ATOM 416 O PHE A 27 5.734 -13.861 -7.821 1.00 0.00 O ATOM 417 CB PHE A 27 3.587 -12.041 -6.369 1.00 0.00 C ATOM 418 CG PHE A 27 3.433 -10.799 -5.549 1.00 0.00 C ATOM 419 CD1 PHE A 27 2.655 -10.818 -4.405 1.00 0.00 C ATOM 420 CD2 PHE A 27 4.045 -9.608 -5.924 1.00 0.00 C ATOM 421 CE1 PHE A 27 2.486 -9.680 -3.648 1.00 0.00 C ATOM 422 CE2 PHE A 27 3.879 -8.470 -5.167 1.00 0.00 C ATOM 423 CZ PHE A 27 3.099 -8.506 -4.030 1.00 0.00 C ATOM 0 H PHE A 27 5.898 -11.307 -5.754 1.00 0.00 H new ATOM 0 HA PHE A 27 4.299 -13.470 -4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.829 -11.758 -7.394 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.630 -12.563 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.174 -11.736 -4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.655 -9.575 -6.815 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.875 -9.707 -2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.359 -7.549 -5.463 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.968 -7.612 -3.438 1.00 0.00 H new ATOM 433 N ASN A 28 4.253 -15.200 -6.769 1.00 0.00 N ATOM 434 CA ASN A 28 4.438 -16.339 -7.661 1.00 0.00 C ATOM 435 C ASN A 28 5.603 -17.173 -7.136 1.00 0.00 C ATOM 436 O ASN A 28 6.152 -18.022 -7.839 1.00 0.00 O ATOM 437 CB ASN A 28 4.706 -15.895 -9.104 1.00 0.00 C ATOM 438 CG ASN A 28 4.137 -16.864 -10.120 1.00 0.00 C ATOM 439 OD1 ASN A 28 3.189 -16.542 -10.839 1.00 0.00 O ATOM 440 ND2 ASN A 28 4.714 -18.057 -10.186 1.00 0.00 N ATOM 0 H ASN A 28 3.576 -15.363 -6.023 1.00 0.00 H new ATOM 0 HA ASN A 28 3.522 -16.930 -7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.272 -14.908 -9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.781 -15.800 -9.259 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.375 -18.751 -10.852 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.497 -18.280 -9.571 1.00 0.00 H new ATOM 447 N ASP A 29 5.973 -16.901 -5.882 1.00 0.00 N ATOM 448 CA ASP A 29 7.070 -17.589 -5.225 1.00 0.00 C ATOM 449 C ASP A 29 6.644 -18.196 -3.885 1.00 0.00 C ATOM 450 O ASP A 29 5.647 -17.801 -3.283 1.00 0.00 O ATOM 451 CB ASP A 29 8.242 -16.634 -5.026 1.00 0.00 C ATOM 452 CG ASP A 29 9.576 -17.281 -5.342 1.00 0.00 C ATOM 453 OD1 ASP A 29 9.799 -17.637 -6.518 1.00 0.00 O ATOM 454 OD2 ASP A 29 10.396 -17.436 -4.415 1.00 0.00 O ATOM 0 H ASP A 29 5.517 -16.198 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 29 7.380 -18.411 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.106 -15.759 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.248 -16.281 -3.995 1.00 0.00 H new ATOM 459 N ALA A 30 7.433 -19.165 -3.450 1.00 0.00 N ATOM 460 CA ALA A 30 7.168 -19.862 -2.191 1.00 0.00 C ATOM 461 C ALA A 30 8.252 -19.647 -1.140 1.00 0.00 C ATOM 462 O ALA A 30 9.044 -20.542 -0.847 1.00 0.00 O ATOM 463 CB ALA A 30 6.919 -21.331 -2.432 1.00 0.00 C ATOM 0 H ALA A 30 8.263 -19.490 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 30 6.262 -19.418 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.724 -21.828 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.056 -21.451 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.796 -21.776 -2.901 1.00 0.00 H new ATOM 469 N LEU A 31 8.266 -18.442 -0.576 1.00 0.00 N ATOM 470 CA LEU A 31 9.233 -18.071 0.451 1.00 0.00 C ATOM 471 C LEU A 31 8.762 -16.827 1.204 1.00 0.00 C ATOM 472 O LEU A 31 8.315 -15.862 0.589 1.00 0.00 O ATOM 473 CB LEU A 31 10.605 -17.810 -0.182 1.00 0.00 C ATOM 474 CG LEU A 31 10.584 -17.531 -1.688 1.00 0.00 C ATOM 475 CD1 LEU A 31 9.586 -16.428 -2.013 1.00 0.00 C ATOM 476 CD2 LEU A 31 11.973 -17.158 -2.186 1.00 0.00 C ATOM 0 H LEU A 31 7.610 -17.699 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 31 9.319 -18.897 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.065 -16.960 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.243 -18.674 0.003 1.00 0.00 H new ATOM 0 HG LEU A 31 10.271 -18.441 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.585 -16.243 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.589 -16.734 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.869 -15.515 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.935 -16.964 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.317 -16.263 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.662 -17.979 -1.990 1.00 0.00 H new ATOM 488 N VAL A 32 8.855 -16.865 2.540 1.00 0.00 N ATOM 489 CA VAL A 32 8.438 -15.754 3.406 1.00 0.00 C ATOM 490 C VAL A 32 7.012 -15.957 3.914 1.00 0.00 C ATOM 491 O VAL A 32 6.133 -16.400 3.175 1.00 0.00 O ATOM 492 CB VAL A 32 8.567 -14.364 2.719 1.00 0.00 C ATOM 493 CG1 VAL A 32 7.260 -13.927 2.063 1.00 0.00 C ATOM 494 CG2 VAL A 32 9.033 -13.320 3.723 1.00 0.00 C ATOM 0 H VAL A 32 9.222 -17.668 3.051 1.00 0.00 H new ATOM 0 HA VAL A 32 9.125 -15.759 4.252 1.00 0.00 H new ATOM 0 HB VAL A 32 9.312 -14.457 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.396 -12.952 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.972 -14.656 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.478 -13.861 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.119 -12.352 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.310 -13.249 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.004 -13.610 4.125 1.00 0.00 H new ATOM 504 N SER A 33 6.795 -15.636 5.187 1.00 0.00 N ATOM 505 CA SER A 33 5.480 -15.787 5.804 1.00 0.00 C ATOM 506 C SER A 33 4.519 -14.705 5.324 1.00 0.00 C ATOM 507 O SER A 33 4.932 -13.596 4.991 1.00 0.00 O ATOM 508 CB SER A 33 5.599 -15.734 7.329 1.00 0.00 C ATOM 509 OG SER A 33 4.580 -16.501 7.946 1.00 0.00 O ATOM 0 H SER A 33 7.513 -15.269 5.812 1.00 0.00 H new ATOM 0 HA SER A 33 5.082 -16.757 5.507 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.576 -16.109 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.535 -14.700 7.666 1.00 0.00 H new ATOM 0 HG SER A 33 4.678 -16.453 8.920 1.00 0.00 H new ATOM 515 N GLU A 34 3.233 -15.041 5.291 1.00 0.00 N ATOM 516 CA GLU A 34 2.205 -14.105 4.851 1.00 0.00 C ATOM 517 C GLU A 34 1.932 -13.044 5.909 1.00 0.00 C ATOM 518 O GLU A 34 1.863 -11.855 5.605 1.00 0.00 O ATOM 519 CB GLU A 34 0.913 -14.847 4.529 1.00 0.00 C ATOM 520 CG GLU A 34 0.380 -15.673 5.685 1.00 0.00 C ATOM 521 CD GLU A 34 -0.606 -14.903 6.539 1.00 0.00 C ATOM 522 OE1 GLU A 34 -1.607 -14.403 5.983 1.00 0.00 O ATOM 523 OE2 GLU A 34 -0.377 -14.795 7.762 1.00 0.00 O ATOM 0 H GLU A 34 2.878 -15.957 5.565 1.00 0.00 H new ATOM 0 HA GLU A 34 2.573 -13.610 3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.154 -14.124 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.084 -15.502 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.103 -16.569 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.213 -16.004 6.306 1.00 0.00 H new ATOM 530 N GLU A 35 1.772 -13.485 7.148 1.00 0.00 N ATOM 531 CA GLU A 35 1.500 -12.578 8.259 1.00 0.00 C ATOM 532 C GLU A 35 2.569 -11.492 8.353 1.00 0.00 C ATOM 533 O GLU A 35 2.257 -10.324 8.576 1.00 0.00 O ATOM 534 CB GLU A 35 1.430 -13.361 9.572 1.00 0.00 C ATOM 535 CG GLU A 35 0.275 -12.947 10.470 1.00 0.00 C ATOM 536 CD GLU A 35 -0.919 -13.874 10.345 1.00 0.00 C ATOM 537 OE1 GLU A 35 -0.779 -15.071 10.673 1.00 0.00 O ATOM 538 OE2 GLU A 35 -1.994 -13.402 9.918 1.00 0.00 O ATOM 0 H GLU A 35 1.826 -14.469 7.412 1.00 0.00 H new ATOM 0 HA GLU A 35 0.539 -12.096 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.340 -14.424 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.366 -13.228 10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.612 -12.932 11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.030 -11.931 10.219 1.00 0.00 H new ATOM 545 N ASP A 36 3.830 -11.881 8.181 1.00 0.00 N ATOM 546 CA ASP A 36 4.931 -10.927 8.247 1.00 0.00 C ATOM 547 C ASP A 36 4.753 -9.843 7.200 1.00 0.00 C ATOM 548 O ASP A 36 4.732 -8.653 7.517 1.00 0.00 O ATOM 549 CB ASP A 36 6.273 -11.637 8.053 1.00 0.00 C ATOM 550 CG ASP A 36 6.874 -12.088 9.368 1.00 0.00 C ATOM 551 OD1 ASP A 36 6.556 -13.212 9.811 1.00 0.00 O ATOM 552 OD2 ASP A 36 7.658 -11.316 9.960 1.00 0.00 O ATOM 0 H ASP A 36 4.112 -12.844 7.996 1.00 0.00 H new ATOM 0 HA ASP A 36 4.926 -10.465 9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.135 -12.501 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.968 -10.966 7.548 1.00 0.00 H new ATOM 557 N MET A 37 4.595 -10.262 5.951 1.00 0.00 N ATOM 558 CA MET A 37 4.389 -9.322 4.865 1.00 0.00 C ATOM 559 C MET A 37 3.155 -8.480 5.150 1.00 0.00 C ATOM 560 O MET A 37 3.150 -7.266 4.940 1.00 0.00 O ATOM 561 CB MET A 37 4.218 -10.066 3.541 1.00 0.00 C ATOM 562 CG MET A 37 4.412 -9.180 2.322 1.00 0.00 C ATOM 563 SD MET A 37 6.122 -8.650 2.121 1.00 0.00 S ATOM 564 CE MET A 37 6.935 -10.231 1.918 1.00 0.00 C ATOM 0 H MET A 37 4.606 -11.242 5.669 1.00 0.00 H new ATOM 0 HA MET A 37 5.261 -8.673 4.787 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.932 -10.889 3.500 1.00 0.00 H new ATOM 0 HB3 MET A 37 3.222 -10.506 3.506 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.095 -9.720 1.430 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.771 -8.303 2.408 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.957 -10.073 1.573 1.00 0.00 H new ATOM 0 HE2 MET A 37 6.952 -10.757 2.873 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.392 -10.828 1.185 1.00 0.00 H new ATOM 574 N VAL A 38 2.096 -9.147 5.596 1.00 0.00 N ATOM 575 CA VAL A 38 0.842 -8.468 5.868 1.00 0.00 C ATOM 576 C VAL A 38 1.046 -7.336 6.867 1.00 0.00 C ATOM 577 O VAL A 38 0.553 -6.229 6.645 1.00 0.00 O ATOM 578 CB VAL A 38 -0.203 -9.463 6.418 1.00 0.00 C ATOM 579 CG1 VAL A 38 -1.487 -8.756 6.829 1.00 0.00 C ATOM 580 CG2 VAL A 38 -0.493 -10.545 5.390 1.00 0.00 C ATOM 0 H VAL A 38 2.084 -10.151 5.775 1.00 0.00 H new ATOM 0 HA VAL A 38 0.477 -8.048 4.931 1.00 0.00 H new ATOM 0 HB VAL A 38 0.216 -9.928 7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.199 -9.488 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.267 -8.024 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.916 -8.249 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.231 -11.239 5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.882 -10.088 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.426 -11.085 5.161 1.00 0.00 H new ATOM 590 N THR A 39 1.776 -7.580 7.956 1.00 0.00 N ATOM 591 CA THR A 39 2.010 -6.527 8.932 1.00 0.00 C ATOM 592 C THR A 39 2.830 -5.408 8.309 1.00 0.00 C ATOM 593 O THR A 39 2.618 -4.232 8.601 1.00 0.00 O ATOM 594 CB THR A 39 2.731 -7.087 10.161 1.00 0.00 C ATOM 595 OG1 THR A 39 2.151 -8.315 10.564 1.00 0.00 O ATOM 596 CG2 THR A 39 2.703 -6.152 11.352 1.00 0.00 C ATOM 0 H THR A 39 2.205 -8.478 8.178 1.00 0.00 H new ATOM 0 HA THR A 39 1.047 -6.126 9.247 1.00 0.00 H new ATOM 0 HB THR A 39 3.768 -7.221 9.852 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.358 -9.007 9.902 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.232 -6.611 12.187 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.188 -5.212 11.088 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.669 -5.959 11.639 1.00 0.00 H new ATOM 604 N VAL A 40 3.761 -5.780 7.433 1.00 0.00 N ATOM 605 CA VAL A 40 4.598 -4.801 6.757 1.00 0.00 C ATOM 606 C VAL A 40 3.737 -3.809 5.980 1.00 0.00 C ATOM 607 O VAL A 40 4.003 -2.606 5.970 1.00 0.00 O ATOM 608 CB VAL A 40 5.592 -5.483 5.797 1.00 0.00 C ATOM 609 CG1 VAL A 40 6.506 -4.453 5.152 1.00 0.00 C ATOM 610 CG2 VAL A 40 6.401 -6.542 6.532 1.00 0.00 C ATOM 0 H VAL A 40 3.952 -6.749 7.178 1.00 0.00 H new ATOM 0 HA VAL A 40 5.164 -4.268 7.521 1.00 0.00 H new ATOM 0 HB VAL A 40 5.026 -5.975 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.200 -4.954 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.907 -3.737 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.066 -3.929 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.098 -7.014 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.957 -6.076 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.728 -7.296 6.939 1.00 0.00 H new ATOM 620 N VAL A 41 2.696 -4.326 5.335 1.00 0.00 N ATOM 621 CA VAL A 41 1.786 -3.492 4.561 1.00 0.00 C ATOM 622 C VAL A 41 0.967 -2.579 5.468 1.00 0.00 C ATOM 623 O VAL A 41 0.827 -1.388 5.199 1.00 0.00 O ATOM 624 CB VAL A 41 0.817 -4.345 3.718 1.00 0.00 C ATOM 625 CG1 VAL A 41 -0.027 -3.460 2.811 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.577 -5.384 2.908 1.00 0.00 C ATOM 0 H VAL A 41 2.462 -5.319 5.334 1.00 0.00 H new ATOM 0 HA VAL A 41 2.405 -2.888 3.898 1.00 0.00 H new ATOM 0 HB VAL A 41 0.147 -4.872 4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.704 -4.081 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.606 -2.764 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.625 -2.900 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.873 -5.974 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.277 -4.883 2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.127 -6.040 3.583 1.00 0.00 H new ATOM 636 N GLU A 42 0.422 -3.150 6.540 1.00 0.00 N ATOM 637 CA GLU A 42 -0.397 -2.394 7.485 1.00 0.00 C ATOM 638 C GLU A 42 0.410 -1.311 8.203 1.00 0.00 C ATOM 639 O GLU A 42 -0.037 -0.165 8.321 1.00 0.00 O ATOM 640 CB GLU A 42 -1.022 -3.345 8.510 1.00 0.00 C ATOM 641 CG GLU A 42 -2.541 -3.318 8.522 1.00 0.00 C ATOM 642 CD GLU A 42 -3.112 -3.460 9.920 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.121 -2.455 10.662 1.00 0.00 O ATOM 644 OE2 GLU A 42 -3.548 -4.576 10.273 1.00 0.00 O ATOM 0 H GLU A 42 0.533 -4.136 6.776 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.183 -1.897 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.687 -4.361 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.655 -3.086 9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.888 -2.382 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.921 -4.124 7.894 1.00 0.00 H new ATOM 651 N ASP A 43 1.601 -1.669 8.672 1.00 0.00 N ATOM 652 CA ASP A 43 2.448 -0.708 9.366 1.00 0.00 C ATOM 653 C ASP A 43 2.916 0.368 8.399 1.00 0.00 C ATOM 654 O ASP A 43 3.052 1.534 8.771 1.00 0.00 O ATOM 655 CB ASP A 43 3.645 -1.396 10.033 1.00 0.00 C ATOM 656 CG ASP A 43 4.518 -2.162 9.060 1.00 0.00 C ATOM 657 OD1 ASP A 43 4.912 -1.585 8.027 1.00 0.00 O ATOM 658 OD2 ASP A 43 4.817 -3.342 9.343 1.00 0.00 O ATOM 0 H ASP A 43 1.997 -2.605 8.586 1.00 0.00 H new ATOM 0 HA ASP A 43 1.858 -0.242 10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.251 -0.644 10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.281 -2.080 10.799 1.00 0.00 H new ATOM 663 N TRP A 44 3.153 -0.029 7.153 1.00 0.00 N ATOM 664 CA TRP A 44 3.595 0.917 6.140 1.00 0.00 C ATOM 665 C TRP A 44 2.530 1.986 5.922 1.00 0.00 C ATOM 666 O TRP A 44 2.831 3.181 5.916 1.00 0.00 O ATOM 667 CB TRP A 44 3.886 0.196 4.823 1.00 0.00 C ATOM 668 CG TRP A 44 5.287 -0.326 4.719 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.378 0.093 5.425 1.00 0.00 C ATOM 670 CD2 TRP A 44 5.746 -1.367 3.851 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.487 -0.626 5.051 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.124 -1.530 4.086 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.124 -2.181 2.900 1.00 0.00 C ATOM 674 CZ2 TRP A 44 7.889 -2.472 3.403 1.00 0.00 C ATOM 675 CZ3 TRP A 44 5.884 -3.115 2.222 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.254 -3.254 2.478 1.00 0.00 C ATOM 0 H TRP A 44 3.047 -0.989 6.825 1.00 0.00 H new ATOM 0 HA TRP A 44 4.512 1.392 6.488 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.189 -0.635 4.712 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.700 0.881 3.995 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.370 0.876 6.169 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.427 -0.507 5.429 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.068 -2.082 2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.946 -2.581 3.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.414 -3.748 1.483 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.821 -3.994 1.933 1.00 0.00 H new ATOM 687 N MET A 45 1.286 1.554 5.728 1.00 0.00 N ATOM 688 CA MET A 45 0.187 2.489 5.491 1.00 0.00 C ATOM 689 C MET A 45 0.011 3.450 6.651 1.00 0.00 C ATOM 690 O MET A 45 -0.078 4.660 6.449 1.00 0.00 O ATOM 691 CB MET A 45 -1.133 1.750 5.247 1.00 0.00 C ATOM 692 CG MET A 45 -0.983 0.438 4.499 1.00 0.00 C ATOM 693 SD MET A 45 -2.173 0.257 3.156 1.00 0.00 S ATOM 694 CE MET A 45 -3.709 0.179 4.074 1.00 0.00 C ATOM 0 H MET A 45 1.014 0.571 5.730 1.00 0.00 H new ATOM 0 HA MET A 45 0.450 3.057 4.598 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.610 1.555 6.207 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.802 2.401 4.685 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.027 0.369 4.095 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.103 -0.389 5.198 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.537 0.013 3.385 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.664 -0.641 4.790 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.863 1.118 4.607 1.00 0.00 H new ATOM 704 N ASN A 46 -0.039 2.926 7.867 1.00 0.00 N ATOM 705 CA ASN A 46 -0.209 3.777 9.040 1.00 0.00 C ATOM 706 C ASN A 46 0.973 4.730 9.184 1.00 0.00 C ATOM 707 O ASN A 46 0.799 5.917 9.461 1.00 0.00 O ATOM 708 CB ASN A 46 -0.384 2.916 10.305 1.00 0.00 C ATOM 709 CG ASN A 46 0.787 3.008 11.271 1.00 0.00 C ATOM 710 OD1 ASN A 46 0.722 3.715 12.277 1.00 0.00 O ATOM 711 ND2 ASN A 46 1.864 2.293 10.969 1.00 0.00 N ATOM 0 H ASN A 46 0.034 1.929 8.068 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.110 4.376 8.910 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.294 3.223 10.820 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.520 1.875 10.010 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.680 2.316 11.581 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.876 1.720 10.125 1.00 0.00 H new ATOM 718 N PHE A 47 2.173 4.199 8.989 1.00 0.00 N ATOM 719 CA PHE A 47 3.386 4.998 9.092 1.00 0.00 C ATOM 720 C PHE A 47 3.372 6.138 8.078 1.00 0.00 C ATOM 721 O PHE A 47 3.782 7.259 8.384 1.00 0.00 O ATOM 722 CB PHE A 47 4.620 4.121 8.874 1.00 0.00 C ATOM 723 CG PHE A 47 5.916 4.843 9.108 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.437 4.958 10.385 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.611 5.407 8.050 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.628 5.623 10.606 1.00 0.00 C ATOM 727 CE2 PHE A 47 7.803 6.072 8.264 1.00 0.00 C ATOM 728 CZ PHE A 47 8.313 6.180 9.543 1.00 0.00 C ATOM 0 H PHE A 47 2.332 3.218 8.759 1.00 0.00 H new ATOM 0 HA PHE A 47 3.426 5.426 10.094 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.567 3.260 9.541 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.607 3.736 7.855 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.906 4.523 11.219 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.217 5.326 7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.023 5.707 11.608 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.336 6.507 7.431 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.245 6.699 9.712 1.00 0.00 H new ATOM 738 N TYR A 48 2.897 5.845 6.873 1.00 0.00 N ATOM 739 CA TYR A 48 2.832 6.847 5.813 1.00 0.00 C ATOM 740 C TYR A 48 1.769 7.896 6.120 1.00 0.00 C ATOM 741 O TYR A 48 2.020 9.096 6.017 1.00 0.00 O ATOM 742 CB TYR A 48 2.544 6.176 4.468 1.00 0.00 C ATOM 743 CG TYR A 48 3.782 5.928 3.636 1.00 0.00 C ATOM 744 CD1 TYR A 48 4.773 5.056 4.069 1.00 0.00 C ATOM 745 CD2 TYR A 48 3.963 6.570 2.415 1.00 0.00 C ATOM 746 CE1 TYR A 48 5.908 4.830 3.311 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.093 6.349 1.652 1.00 0.00 C ATOM 748 CZ TYR A 48 6.063 5.478 2.104 1.00 0.00 C ATOM 749 OH TYR A 48 7.190 5.257 1.346 1.00 0.00 O ATOM 0 H TYR A 48 2.551 4.924 6.605 1.00 0.00 H new ATOM 0 HA TYR A 48 3.798 7.349 5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.040 5.226 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.854 6.801 3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.655 4.546 5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.207 7.253 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.669 4.149 3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.217 6.856 0.706 1.00 0.00 H new ATOM 0 HH TYR A 48 7.142 5.790 0.525 1.00 0.00 H new ATOM 759 N ILE A 49 0.581 7.437 6.500 1.00 0.00 N ATOM 760 CA ILE A 49 -0.520 8.338 6.826 1.00 0.00 C ATOM 761 C ILE A 49 -0.124 9.294 7.948 1.00 0.00 C ATOM 762 O ILE A 49 -0.209 10.512 7.794 1.00 0.00 O ATOM 763 CB ILE A 49 -1.790 7.545 7.225 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.590 7.168 5.976 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.667 8.337 8.193 1.00 0.00 C ATOM 766 CD1 ILE A 49 -1.940 6.089 5.139 1.00 0.00 C ATOM 0 H ILE A 49 0.355 6.446 6.590 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.745 8.921 5.933 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.469 6.637 7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.582 6.832 6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.728 8.058 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.548 7.749 8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.102 8.558 9.098 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.978 9.270 7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.565 5.875 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.960 6.429 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.827 5.184 5.736 1.00 0.00 H new ATOM 778 N ASN A 50 0.300 8.738 9.077 1.00 0.00 N ATOM 779 CA ASN A 50 0.698 9.543 10.228 1.00 0.00 C ATOM 780 C ASN A 50 1.806 10.531 9.864 1.00 0.00 C ATOM 781 O ASN A 50 1.716 11.718 10.178 1.00 0.00 O ATOM 782 CB ASN A 50 1.162 8.637 11.371 1.00 0.00 C ATOM 783 CG ASN A 50 0.567 9.041 12.706 1.00 0.00 C ATOM 784 OD1 ASN A 50 1.017 9.996 13.338 1.00 0.00 O ATOM 785 ND2 ASN A 50 -0.453 8.311 13.143 1.00 0.00 N ATOM 0 H ASN A 50 0.377 7.731 9.221 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.172 10.115 10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.885 7.606 11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.250 8.667 11.437 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.895 8.534 14.035 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.795 7.527 12.587 1.00 0.00 H new ATOM 792 N TYR A 51 2.848 10.035 9.204 1.00 0.00 N ATOM 793 CA TYR A 51 3.970 10.879 8.806 1.00 0.00 C ATOM 794 C TYR A 51 3.525 11.980 7.850 1.00 0.00 C ATOM 795 O TYR A 51 3.841 13.153 8.049 1.00 0.00 O ATOM 796 CB TYR A 51 5.057 10.033 8.142 1.00 0.00 C ATOM 797 CG TYR A 51 6.448 10.602 8.296 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.156 10.444 9.481 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.052 11.299 7.259 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.428 10.965 9.627 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.323 11.822 7.396 1.00 0.00 C ATOM 802 CZ TYR A 51 9.006 11.653 8.581 1.00 0.00 C ATOM 803 OH TYR A 51 10.272 12.174 8.722 1.00 0.00 O ATOM 0 H TYR A 51 2.939 9.056 8.934 1.00 0.00 H new ATOM 0 HA TYR A 51 4.369 11.346 9.706 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.035 9.030 8.568 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.830 9.934 7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.705 9.905 10.301 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.519 11.435 6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.966 10.834 10.554 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.779 12.361 6.579 1.00 0.00 H new ATOM 0 HH TYR A 51 10.533 12.628 7.894 1.00 0.00 H new ATOM 813 N TYR A 52 2.790 11.600 6.810 1.00 0.00 N ATOM 814 CA TYR A 52 2.310 12.565 5.829 1.00 0.00 C ATOM 815 C TYR A 52 1.323 13.537 6.464 1.00 0.00 C ATOM 816 O TYR A 52 1.239 14.694 6.057 1.00 0.00 O ATOM 817 CB TYR A 52 1.657 11.848 4.640 1.00 0.00 C ATOM 818 CG TYR A 52 2.587 11.543 3.471 1.00 0.00 C ATOM 819 CD1 TYR A 52 3.891 12.039 3.408 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.143 10.755 2.416 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.713 11.754 2.333 1.00 0.00 C ATOM 822 CE2 TYR A 52 2.962 10.469 1.339 1.00 0.00 C ATOM 823 CZ TYR A 52 4.244 10.970 1.303 1.00 0.00 C ATOM 824 OH TYR A 52 5.061 10.686 0.232 1.00 0.00 O ATOM 0 H TYR A 52 2.515 10.635 6.626 1.00 0.00 H new ATOM 0 HA TYR A 52 3.167 13.132 5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.226 10.911 4.994 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.832 12.461 4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.264 12.656 4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.139 10.358 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.719 12.145 2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.597 9.855 0.529 1.00 0.00 H new ATOM 0 HH TYR A 52 5.184 9.716 0.162 1.00 0.00 H new ATOM 834 N ARG A 53 0.584 13.069 7.466 1.00 0.00 N ATOM 835 CA ARG A 53 -0.390 13.914 8.152 1.00 0.00 C ATOM 836 C ARG A 53 0.282 15.166 8.710 1.00 0.00 C ATOM 837 O ARG A 53 -0.261 16.267 8.628 1.00 0.00 O ATOM 838 CB ARG A 53 -1.064 13.135 9.285 1.00 0.00 C ATOM 839 CG ARG A 53 -2.580 13.252 9.288 1.00 0.00 C ATOM 840 CD ARG A 53 -3.183 12.656 10.551 1.00 0.00 C ATOM 841 NE ARG A 53 -3.488 11.236 10.395 1.00 0.00 N ATOM 842 CZ ARG A 53 -4.352 10.574 11.161 1.00 0.00 C ATOM 843 NH1 ARG A 53 -4.995 11.196 12.142 1.00 0.00 N ATOM 844 NH2 ARG A 53 -4.573 9.284 10.946 1.00 0.00 N ATOM 0 H ARG A 53 0.640 12.114 7.820 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.148 14.218 7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.790 12.083 9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.679 13.493 10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.865 14.301 9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.987 12.743 8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.489 12.789 11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.094 13.196 10.807 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.011 10.721 9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.828 12.188 12.313 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.656 10.682 12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.081 8.801 10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.235 8.775 11.532 1.00 0.00 H new ATOM 858 N GLN A 54 1.466 14.980 9.283 1.00 0.00 N ATOM 859 CA GLN A 54 2.220 16.084 9.865 1.00 0.00 C ATOM 860 C GLN A 54 3.166 16.714 8.844 1.00 0.00 C ATOM 861 O GLN A 54 3.558 17.872 8.982 1.00 0.00 O ATOM 862 CB GLN A 54 3.023 15.587 11.070 1.00 0.00 C ATOM 863 CG GLN A 54 2.209 15.497 12.352 1.00 0.00 C ATOM 864 CD GLN A 54 2.806 14.527 13.353 1.00 0.00 C ATOM 865 OE1 GLN A 54 3.892 14.756 13.885 1.00 0.00 O ATOM 866 NE2 GLN A 54 2.096 13.435 13.613 1.00 0.00 N ATOM 0 H GLN A 54 1.925 14.072 9.357 1.00 0.00 H new ATOM 0 HA GLN A 54 1.508 16.845 10.184 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.434 14.604 10.841 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.868 16.256 11.233 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.141 16.486 12.805 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.192 15.186 12.112 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.200 13.286 13.148 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.446 12.745 14.277 1.00 0.00 H new ATOM 875 N GLN A 55 3.543 15.940 7.830 1.00 0.00 N ATOM 876 CA GLN A 55 4.458 16.423 6.800 1.00 0.00 C ATOM 877 C GLN A 55 3.758 17.328 5.786 1.00 0.00 C ATOM 878 O GLN A 55 4.414 18.089 5.076 1.00 0.00 O ATOM 879 CB GLN A 55 5.110 15.243 6.078 1.00 0.00 C ATOM 880 CG GLN A 55 6.486 14.889 6.617 1.00 0.00 C ATOM 881 CD GLN A 55 7.534 15.928 6.269 1.00 0.00 C ATOM 882 OE1 GLN A 55 7.844 16.808 7.072 1.00 0.00 O ATOM 883 NE2 GLN A 55 8.085 15.831 5.064 1.00 0.00 N ATOM 0 H GLN A 55 3.230 14.978 7.700 1.00 0.00 H new ATOM 0 HA GLN A 55 5.223 17.017 7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.460 14.372 6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.193 15.477 5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.431 14.782 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.791 13.922 6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.798 15.085 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.795 16.502 4.773 1.00 0.00 H new ATOM 892 N VAL A 56 2.431 17.245 5.711 1.00 0.00 N ATOM 893 CA VAL A 56 1.676 18.065 4.766 1.00 0.00 C ATOM 894 C VAL A 56 2.005 19.558 4.936 1.00 0.00 C ATOM 895 O VAL A 56 3.016 20.024 4.415 1.00 0.00 O ATOM 896 CB VAL A 56 0.150 17.836 4.902 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.625 18.774 3.983 1.00 0.00 C ATOM 898 CG2 VAL A 56 -0.204 16.385 4.607 1.00 0.00 C ATOM 0 H VAL A 56 1.861 16.625 6.287 1.00 0.00 H new ATOM 0 HA VAL A 56 1.977 17.755 3.765 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.134 18.057 5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.694 18.594 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.401 19.808 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.334 18.592 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.280 16.245 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.100 16.136 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.314 15.734 5.311 1.00 0.00 H new ATOM 908 N THR A 57 1.130 20.298 5.637 1.00 0.00 N ATOM 909 CA THR A 57 1.293 21.743 5.859 1.00 0.00 C ATOM 910 C THR A 57 0.402 22.516 4.891 1.00 0.00 C ATOM 911 O THR A 57 -0.185 21.931 3.981 1.00 0.00 O ATOM 912 CB THR A 57 2.758 22.187 5.711 1.00 0.00 C ATOM 913 OG1 THR A 57 3.627 21.286 6.379 1.00 0.00 O ATOM 914 CG2 THR A 57 3.030 23.570 6.264 1.00 0.00 C ATOM 0 H THR A 57 0.290 19.910 6.066 1.00 0.00 H new ATOM 0 HA THR A 57 0.993 21.961 6.884 1.00 0.00 H new ATOM 0 HB THR A 57 2.943 22.199 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.985 20.639 5.736 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.083 23.817 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.414 24.300 5.738 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.789 23.591 7.327 1.00 0.00 H new ATOM 922 N GLY A 58 0.292 23.828 5.085 1.00 0.00 N ATOM 923 CA GLY A 58 -0.543 24.634 4.213 1.00 0.00 C ATOM 924 C GLY A 58 -1.961 24.754 4.733 1.00 0.00 C ATOM 925 O GLY A 58 -2.258 24.318 5.845 1.00 0.00 O ATOM 0 H GLY A 58 0.764 24.345 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.108 25.629 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.559 24.192 3.217 1.00 0.00 H new ATOM 929 N GLU A 59 -2.842 25.348 3.934 1.00 0.00 N ATOM 930 CA GLU A 59 -4.235 25.522 4.333 1.00 0.00 C ATOM 931 C GLU A 59 -4.883 24.175 4.647 1.00 0.00 C ATOM 932 O GLU A 59 -4.353 23.123 4.291 1.00 0.00 O ATOM 933 CB GLU A 59 -5.017 26.240 3.231 1.00 0.00 C ATOM 934 CG GLU A 59 -5.238 27.718 3.512 1.00 0.00 C ATOM 935 CD GLU A 59 -6.208 28.358 2.538 1.00 0.00 C ATOM 936 OE1 GLU A 59 -5.757 28.829 1.473 1.00 0.00 O ATOM 937 OE2 GLU A 59 -7.419 28.389 2.843 1.00 0.00 O ATOM 0 H GLU A 59 -2.618 25.716 3.010 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.257 26.132 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.482 26.133 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.984 25.753 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.616 27.838 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.282 28.240 3.463 1.00 0.00 H new ATOM 944 N PRO A 60 -6.043 24.190 5.325 1.00 0.00 N ATOM 945 CA PRO A 60 -6.759 22.963 5.690 1.00 0.00 C ATOM 946 C PRO A 60 -7.343 22.250 4.482 1.00 0.00 C ATOM 947 O PRO A 60 -7.536 21.034 4.507 1.00 0.00 O ATOM 948 CB PRO A 60 -7.870 23.456 6.618 1.00 0.00 C ATOM 949 CG PRO A 60 -8.091 24.875 6.220 1.00 0.00 C ATOM 950 CD PRO A 60 -6.747 25.399 5.793 1.00 0.00 C ATOM 0 HA PRO A 60 -6.098 22.231 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.778 22.865 6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.575 23.379 7.665 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.813 24.944 5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.490 25.456 7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.838 26.143 5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.220 25.876 6.619 1.00 0.00 H new ATOM 958 N GLN A 61 -7.604 22.995 3.414 1.00 0.00 N ATOM 959 CA GLN A 61 -8.137 22.397 2.202 1.00 0.00 C ATOM 960 C GLN A 61 -7.041 21.605 1.506 1.00 0.00 C ATOM 961 O GLN A 61 -7.237 20.453 1.124 1.00 0.00 O ATOM 962 CB GLN A 61 -8.688 23.478 1.267 1.00 0.00 C ATOM 963 CG GLN A 61 -9.247 22.929 -0.035 1.00 0.00 C ATOM 964 CD GLN A 61 -9.984 23.979 -0.841 1.00 0.00 C ATOM 965 OE1 GLN A 61 -9.393 24.959 -1.295 1.00 0.00 O ATOM 966 NE2 GLN A 61 -11.284 23.779 -1.026 1.00 0.00 N ATOM 0 H GLN A 61 -7.456 24.003 3.365 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.955 21.726 2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.472 24.030 1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.894 24.190 1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.432 22.523 -0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.924 22.103 0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.734 22.953 -0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.832 24.452 -1.562 1.00 0.00 H new ATOM 975 N GLU A 62 -5.879 22.235 1.354 1.00 0.00 N ATOM 976 CA GLU A 62 -4.736 21.601 0.713 1.00 0.00 C ATOM 977 C GLU A 62 -4.328 20.331 1.450 1.00 0.00 C ATOM 978 O GLU A 62 -4.029 19.310 0.830 1.00 0.00 O ATOM 979 CB GLU A 62 -3.555 22.573 0.657 1.00 0.00 C ATOM 980 CG GLU A 62 -3.532 23.434 -0.595 1.00 0.00 C ATOM 981 CD GLU A 62 -4.292 24.735 -0.423 1.00 0.00 C ATOM 982 OE1 GLU A 62 -3.748 25.660 0.213 1.00 0.00 O ATOM 983 OE2 GLU A 62 -5.432 24.826 -0.925 1.00 0.00 O ATOM 0 H GLU A 62 -5.706 23.190 1.669 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.027 21.330 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.587 23.221 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.626 22.006 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.498 23.654 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.962 22.873 -1.425 1.00 0.00 H new ATOM 990 N ARG A 63 -4.320 20.399 2.777 1.00 0.00 N ATOM 991 CA ARG A 63 -3.946 19.249 3.590 1.00 0.00 C ATOM 992 C ARG A 63 -5.024 18.173 3.529 1.00 0.00 C ATOM 993 O ARG A 63 -4.734 17.009 3.267 1.00 0.00 O ATOM 994 CB ARG A 63 -3.682 19.670 5.041 1.00 0.00 C ATOM 995 CG ARG A 63 -4.938 19.956 5.847 1.00 0.00 C ATOM 996 CD ARG A 63 -4.598 20.438 7.249 1.00 0.00 C ATOM 997 NE ARG A 63 -4.007 21.774 7.239 1.00 0.00 N ATOM 998 CZ ARG A 63 -3.959 22.574 8.303 1.00 0.00 C ATOM 999 NH1 ARG A 63 -4.473 22.183 9.463 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -3.397 23.771 8.204 1.00 0.00 N ATOM 0 H ARG A 63 -4.567 21.233 3.309 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.024 18.832 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.117 18.882 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.054 20.561 5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.536 20.710 5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.547 19.054 5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.501 20.446 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.904 19.738 7.715 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.607 22.115 6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.909 21.264 9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.432 22.801 10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.003 24.077 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.359 24.385 9.017 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.270 18.568 3.775 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.384 17.623 3.745 1.00 0.00 C ATOM 1016 C ASP A 64 -7.477 16.933 2.386 1.00 0.00 C ATOM 1017 O ASP A 64 -7.825 15.754 2.298 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.696 18.342 4.059 1.00 0.00 C ATOM 1019 CG ASP A 64 -8.940 18.477 5.550 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -8.132 19.150 6.226 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -9.938 17.910 6.042 1.00 0.00 O ATOM 0 H ASP A 64 -6.533 19.528 3.996 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.205 16.862 4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.682 19.333 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.524 17.796 3.606 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.159 17.673 1.329 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.204 17.129 -0.025 1.00 0.00 C ATOM 1028 C LYS A 65 -6.043 16.172 -0.266 1.00 0.00 C ATOM 1029 O LYS A 65 -6.201 15.144 -0.924 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.180 18.255 -1.061 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.500 18.435 -1.792 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.664 17.410 -2.903 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.053 17.470 -3.518 1.00 0.00 C ATOM 1034 NZ LYS A 65 -10.906 16.334 -3.074 1.00 0.00 N ATOM 0 H LYS A 65 -6.868 18.649 1.383 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.137 16.575 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.919 19.189 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.395 18.051 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.325 18.342 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.551 19.440 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.915 17.587 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.484 16.411 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.531 18.411 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.970 17.458 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.845 16.411 -3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.463 15.436 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.007 16.359 -2.039 1.00 0.00 H new ATOM 1048 N ALA A 66 -4.880 16.511 0.275 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.700 15.671 0.118 1.00 0.00 C ATOM 1050 C ALA A 66 -3.842 14.398 0.942 1.00 0.00 C ATOM 1051 O ALA A 66 -3.469 13.308 0.502 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.450 16.436 0.528 1.00 0.00 C ATOM 0 H ALA A 66 -4.729 17.357 0.824 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.607 15.393 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.576 15.797 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.343 17.321 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.535 16.739 1.572 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.394 14.550 2.138 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.603 13.425 3.037 1.00 0.00 C ATOM 1060 C LEU A 67 -5.622 12.453 2.461 1.00 0.00 C ATOM 1061 O LEU A 67 -5.455 11.237 2.553 1.00 0.00 O ATOM 1062 CB LEU A 67 -5.069 13.924 4.402 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.945 14.212 5.396 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.457 15.644 5.253 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -4.417 13.947 6.813 1.00 0.00 C ATOM 0 H LEU A 67 -4.707 15.447 2.509 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.655 12.899 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.652 14.834 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.738 13.181 4.836 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.110 13.546 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.657 15.829 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.082 15.801 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.282 16.330 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.607 14.156 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.267 14.591 7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.717 12.903 6.907 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.681 12.993 1.864 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.722 12.162 1.276 1.00 0.00 C ATOM 1079 C GLN A 68 -7.210 11.452 0.031 1.00 0.00 C ATOM 1080 O GLN A 68 -7.486 10.272 -0.179 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.949 13.006 0.927 1.00 0.00 C ATOM 1082 CG GLN A 68 -9.723 13.481 2.145 1.00 0.00 C ATOM 1083 CD GLN A 68 -10.844 12.534 2.526 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -11.702 12.209 1.706 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -10.838 12.082 3.774 1.00 0.00 N ATOM 0 H GLN A 68 -6.839 13.997 1.776 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.008 11.410 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.631 13.873 0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.613 12.422 0.289 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.039 13.587 2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.138 14.469 1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.107 12.378 4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.565 11.438 4.087 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.459 12.175 -0.786 1.00 0.00 N ATOM 1095 CA GLU A 69 -5.903 11.606 -2.007 1.00 0.00 C ATOM 1096 C GLU A 69 -4.841 10.568 -1.676 1.00 0.00 C ATOM 1097 O GLU A 69 -4.596 9.646 -2.454 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.316 12.706 -2.891 1.00 0.00 C ATOM 1099 CG GLU A 69 -6.253 13.161 -3.996 1.00 0.00 C ATOM 1100 CD GLU A 69 -5.521 13.489 -5.282 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -4.665 14.399 -5.262 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -5.801 12.835 -6.308 1.00 0.00 O ATOM 0 H GLU A 69 -6.220 13.154 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.707 11.115 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.059 13.563 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.389 12.346 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.987 12.379 -4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.804 14.040 -3.661 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.219 10.713 -0.514 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.201 9.770 -0.088 1.00 0.00 C ATOM 1111 C LEU A 70 -3.859 8.477 0.372 1.00 0.00 C ATOM 1112 O LEU A 70 -3.488 7.388 -0.059 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.359 10.368 1.036 1.00 0.00 C ATOM 1114 CG LEU A 70 -1.144 11.167 0.569 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.614 12.037 1.697 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.064 10.227 0.058 1.00 0.00 C ATOM 0 H LEU A 70 -4.402 11.470 0.145 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.543 9.553 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.993 11.017 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.018 9.561 1.685 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.447 11.821 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.252 12.599 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.392 12.730 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.321 11.406 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.797 10.808 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.239 9.552 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.453 9.647 -0.779 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.834 8.601 1.262 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.527 7.431 1.774 1.00 0.00 C ATOM 1130 C ARG A 71 -6.143 6.635 0.627 1.00 0.00 C ATOM 1131 O ARG A 71 -6.118 5.404 0.629 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.614 7.848 2.765 1.00 0.00 C ATOM 1133 CG ARG A 71 -7.160 6.696 3.590 1.00 0.00 C ATOM 1134 CD ARG A 71 -6.252 6.370 4.763 1.00 0.00 C ATOM 1135 NE ARG A 71 -6.754 5.247 5.548 1.00 0.00 N ATOM 1136 CZ ARG A 71 -7.842 5.305 6.313 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -8.539 6.431 6.402 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -8.232 4.236 6.993 1.00 0.00 N ATOM 0 H ARG A 71 -5.159 9.491 1.640 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.804 6.800 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.210 8.605 3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.434 8.312 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.154 6.950 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.270 5.815 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.253 6.137 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.158 7.247 5.404 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.241 4.366 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.242 7.257 5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.372 6.470 6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.698 3.369 6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.066 4.281 7.579 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.691 7.346 -0.358 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.306 6.689 -1.506 1.00 0.00 C ATOM 1154 C GLN A 72 -6.246 6.047 -2.398 1.00 0.00 C ATOM 1155 O GLN A 72 -6.359 4.873 -2.761 1.00 0.00 O ATOM 1156 CB GLN A 72 -8.162 7.679 -2.308 1.00 0.00 C ATOM 1157 CG GLN A 72 -7.357 8.634 -3.173 1.00 0.00 C ATOM 1158 CD GLN A 72 -8.230 9.620 -3.923 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -9.288 10.022 -3.441 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -7.789 10.014 -5.113 1.00 0.00 N ATOM 0 H GLN A 72 -6.721 8.365 -0.383 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.959 5.900 -1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.847 7.118 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.772 8.259 -1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.654 9.182 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.767 8.061 -3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.905 9.655 -5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.334 10.676 -5.665 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.211 6.808 -2.749 1.00 0.00 N ATOM 1170 CA GLU A 73 -4.146 6.281 -3.593 1.00 0.00 C ATOM 1171 C GLU A 73 -3.515 5.051 -2.944 1.00 0.00 C ATOM 1172 O GLU A 73 -3.372 4.008 -3.581 1.00 0.00 O ATOM 1173 CB GLU A 73 -3.089 7.357 -3.884 1.00 0.00 C ATOM 1174 CG GLU A 73 -2.278 7.794 -2.677 1.00 0.00 C ATOM 1175 CD GLU A 73 -1.036 6.950 -2.463 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -0.973 5.830 -3.011 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -0.122 7.413 -1.748 1.00 0.00 O ATOM 0 H GLU A 73 -5.089 7.780 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.580 5.981 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.407 6.980 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.586 8.230 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.986 8.837 -2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.904 7.742 -1.787 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.145 5.176 -1.672 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.538 4.072 -0.938 1.00 0.00 C ATOM 1186 C LEU A 74 -3.446 2.853 -0.940 1.00 0.00 C ATOM 1187 O LEU A 74 -2.987 1.743 -1.160 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.228 4.491 0.500 1.00 0.00 C ATOM 1189 CG LEU A 74 -0.990 5.374 0.665 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -1.093 6.204 1.935 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.270 4.523 0.683 1.00 0.00 C ATOM 0 H LEU A 74 -3.256 6.032 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.606 3.809 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.091 5.023 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.098 3.593 1.104 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.934 6.054 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.204 6.826 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.977 6.840 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.172 5.542 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.142 5.166 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.222 3.820 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.350 3.972 -0.254 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.732 3.056 -0.687 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.668 1.939 -0.668 1.00 0.00 C ATOM 1205 C ASN A 75 -5.740 1.278 -2.040 1.00 0.00 C ATOM 1206 O ASN A 75 -5.983 0.077 -2.151 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.058 2.409 -0.230 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.472 1.818 1.103 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.710 0.616 1.213 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -7.562 2.662 2.123 1.00 0.00 N ATOM 0 H ASN A 75 -5.147 3.968 -0.495 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.309 1.204 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.066 3.497 -0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.789 2.133 -0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.838 2.321 3.044 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.355 3.651 1.986 1.00 0.00 H new ATOM 1217 N THR A 76 -5.515 2.069 -3.081 1.00 0.00 N ATOM 1218 CA THR A 76 -5.543 1.550 -4.442 1.00 0.00 C ATOM 1219 C THR A 76 -4.224 0.853 -4.774 1.00 0.00 C ATOM 1220 O THR A 76 -4.192 -0.090 -5.566 1.00 0.00 O ATOM 1221 CB THR A 76 -5.861 2.675 -5.443 1.00 0.00 C ATOM 1222 OG1 THR A 76 -6.751 2.214 -6.444 1.00 0.00 O ATOM 1223 CG2 THR A 76 -4.648 3.257 -6.146 1.00 0.00 C ATOM 0 H THR A 76 -5.312 3.066 -3.010 1.00 0.00 H new ATOM 0 HA THR A 76 -6.337 0.808 -4.520 1.00 0.00 H new ATOM 0 HB THR A 76 -6.303 3.464 -4.834 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.944 2.942 -7.071 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.967 4.042 -6.832 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.965 3.676 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.140 2.471 -6.705 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.144 1.315 -4.153 1.00 0.00 N ATOM 1232 CA LEU A 77 -1.830 0.724 -4.373 1.00 0.00 C ATOM 1233 C LEU A 77 -1.689 -0.564 -3.569 1.00 0.00 C ATOM 1234 O LEU A 77 -1.223 -1.581 -4.081 1.00 0.00 O ATOM 1235 CB LEU A 77 -0.724 1.708 -3.980 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.562 2.922 -4.902 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.734 3.654 -4.591 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -0.596 2.496 -6.364 1.00 0.00 C ATOM 0 H LEU A 77 -3.153 2.095 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.731 0.493 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.922 2.065 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.223 1.169 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.396 3.601 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.835 4.513 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.720 3.994 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.577 2.980 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.479 3.373 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.217 1.796 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.550 2.014 -6.581 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.092 -0.509 -2.302 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.010 -1.669 -1.421 1.00 0.00 C ATOM 1252 C ALA A 78 -2.986 -2.764 -1.845 1.00 0.00 C ATOM 1253 O ALA A 78 -2.824 -3.926 -1.470 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.273 -1.255 0.018 1.00 0.00 C ATOM 0 H ALA A 78 -2.478 0.327 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.002 -2.076 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.209 -2.129 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.530 -0.520 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.269 -0.819 0.095 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.018 -2.388 -2.596 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.029 -3.348 -3.023 1.00 0.00 C ATOM 1262 C ASN A 79 -4.407 -4.488 -3.833 1.00 0.00 C ATOM 1263 O ASN A 79 -4.540 -5.654 -3.464 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.108 -2.645 -3.849 1.00 0.00 C ATOM 1265 CG ASN A 79 -7.509 -2.991 -3.381 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -7.902 -4.157 -3.369 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -8.272 -1.974 -2.994 1.00 0.00 N ATOM 0 H ASN A 79 -4.175 -1.433 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.483 -3.777 -2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.963 -1.566 -3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.999 -2.923 -4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.224 -2.145 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.905 -1.023 -3.020 1.00 0.00 H new ATOM 1274 N PRO A 80 -3.715 -4.181 -4.943 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.081 -5.209 -5.777 1.00 0.00 C ATOM 1276 C PRO A 80 -2.038 -6.027 -5.010 1.00 0.00 C ATOM 1277 O PRO A 80 -1.835 -7.204 -5.291 1.00 0.00 O ATOM 1278 CB PRO A 80 -2.413 -4.407 -6.903 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.310 -3.015 -6.382 1.00 0.00 C ATOM 1280 CD PRO A 80 -3.492 -2.827 -5.474 1.00 0.00 C ATOM 0 HA PRO A 80 -3.807 -5.940 -6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.430 -4.811 -7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.006 -4.443 -7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.375 -2.868 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.324 -2.291 -7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.282 -2.111 -4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.363 -2.456 -6.015 1.00 0.00 H new ATOM 1288 N PHE A 81 -1.379 -5.391 -4.047 1.00 0.00 N ATOM 1289 CA PHE A 81 -0.350 -6.053 -3.242 1.00 0.00 C ATOM 1290 C PHE A 81 -0.969 -7.024 -2.238 1.00 0.00 C ATOM 1291 O PHE A 81 -0.539 -8.176 -2.105 1.00 0.00 O ATOM 1292 CB PHE A 81 0.474 -4.993 -2.497 1.00 0.00 C ATOM 1293 CG PHE A 81 1.498 -5.545 -1.534 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.879 -6.878 -1.571 1.00 0.00 C ATOM 1295 CD2 PHE A 81 2.081 -4.718 -0.589 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.819 -7.371 -0.688 1.00 0.00 C ATOM 1297 CE2 PHE A 81 3.022 -5.205 0.296 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.391 -6.534 0.248 1.00 0.00 C ATOM 0 H PHE A 81 -1.538 -4.414 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 81 0.294 -6.624 -3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.985 -4.370 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.208 -4.344 -1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.435 -7.539 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.796 -3.677 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.106 -8.411 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.469 -4.546 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.125 -6.918 0.941 1.00 0.00 H new ATOM 1308 N LEU A 82 -1.992 -6.553 -1.546 1.00 0.00 N ATOM 1309 CA LEU A 82 -2.673 -7.371 -0.559 1.00 0.00 C ATOM 1310 C LEU A 82 -3.596 -8.370 -1.233 1.00 0.00 C ATOM 1311 O LEU A 82 -3.777 -9.483 -0.743 1.00 0.00 O ATOM 1312 CB LEU A 82 -3.453 -6.499 0.420 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.072 -6.701 1.883 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -3.435 -8.106 2.341 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -1.588 -6.438 2.090 1.00 0.00 C ATOM 0 H LEU A 82 -2.368 -5.611 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.919 -7.924 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.299 -5.452 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.517 -6.704 0.302 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.634 -5.988 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.156 -8.231 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.509 -8.258 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.901 -8.836 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.335 -6.587 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.007 -7.126 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.357 -5.412 1.803 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.158 -7.980 -2.369 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.042 -8.861 -3.111 1.00 0.00 C ATOM 1329 C ALA A 83 -4.234 -9.918 -3.849 1.00 0.00 C ATOM 1330 O ALA A 83 -4.701 -11.038 -4.058 1.00 0.00 O ATOM 1331 CB ALA A 83 -5.896 -8.060 -4.083 1.00 0.00 C ATOM 0 H ALA A 83 -4.017 -7.063 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.706 -9.364 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.553 -8.735 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.497 -7.338 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.250 -7.532 -4.785 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.013 -9.559 -4.235 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.142 -10.486 -4.940 1.00 0.00 C ATOM 1339 C LYS A 84 -1.627 -11.561 -3.995 1.00 0.00 C ATOM 1340 O LYS A 84 -1.666 -12.749 -4.323 1.00 0.00 O ATOM 1341 CB LYS A 84 -0.970 -9.751 -5.592 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.049 -10.662 -6.387 1.00 0.00 C ATOM 1343 CD LYS A 84 -0.250 -10.487 -7.884 1.00 0.00 C ATOM 1344 CE LYS A 84 0.730 -9.479 -8.464 1.00 0.00 C ATOM 1345 NZ LYS A 84 0.613 -8.148 -7.807 1.00 0.00 N ATOM 0 H LYS A 84 -2.608 -8.637 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.728 -10.962 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.360 -8.976 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.391 -9.248 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.988 -10.447 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.236 -11.700 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.124 -11.447 -8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.271 -10.158 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.747 -9.853 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.550 -9.373 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.184 -7.452 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.383 -7.848 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.956 -8.213 -6.827 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.153 -11.162 -2.811 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.659 -12.152 -1.866 1.00 0.00 C ATOM 1361 C TYR A 85 -1.814 -12.982 -1.316 1.00 0.00 C ATOM 1362 O TYR A 85 -1.670 -14.180 -1.084 1.00 0.00 O ATOM 1363 CB TYR A 85 0.131 -11.520 -0.716 1.00 0.00 C ATOM 1364 CG TYR A 85 1.420 -12.269 -0.389 1.00 0.00 C ATOM 1365 CD1 TYR A 85 1.607 -13.602 -0.774 1.00 0.00 C ATOM 1366 CD2 TYR A 85 2.451 -11.645 0.300 1.00 0.00 C ATOM 1367 CE1 TYR A 85 2.782 -14.281 -0.476 1.00 0.00 C ATOM 1368 CE2 TYR A 85 3.625 -12.318 0.600 1.00 0.00 C ATOM 1369 CZ TYR A 85 3.784 -13.631 0.210 1.00 0.00 C ATOM 1370 OH TYR A 85 4.948 -14.297 0.512 1.00 0.00 O ATOM 0 H TYR A 85 -1.103 -10.193 -2.496 1.00 0.00 H new ATOM 0 HA TYR A 85 0.027 -12.800 -2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.373 -10.489 -0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.498 -11.487 0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.823 -14.112 -1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.336 -10.616 0.608 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.909 -15.310 -0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.414 -11.815 1.139 1.00 0.00 H new ATOM 0 HH TYR A 85 5.603 -14.151 -0.202 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.970 -12.342 -1.128 1.00 0.00 N ATOM 1381 CA ARG A 86 -4.149 -13.038 -0.627 1.00 0.00 C ATOM 1382 C ARG A 86 -4.549 -14.122 -1.619 1.00 0.00 C ATOM 1383 O ARG A 86 -4.886 -15.243 -1.237 1.00 0.00 O ATOM 1384 CB ARG A 86 -5.295 -12.039 -0.396 1.00 0.00 C ATOM 1385 CG ARG A 86 -6.640 -12.454 -0.980 1.00 0.00 C ATOM 1386 CD ARG A 86 -7.312 -13.527 -0.135 1.00 0.00 C ATOM 1387 NE ARG A 86 -8.584 -13.068 0.416 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.695 -12.367 1.546 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -7.616 -12.057 2.259 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -9.892 -11.975 1.964 1.00 0.00 N ATOM 0 H ARG A 86 -3.111 -11.349 -1.315 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.923 -13.508 0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.413 -11.887 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.011 -11.078 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.292 -11.583 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.497 -12.826 -1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.479 -14.416 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.647 -13.818 0.679 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.438 -13.297 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.693 -12.355 1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.711 -11.521 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.724 -12.210 1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.980 -11.439 2.827 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.482 -13.775 -2.900 1.00 0.00 N ATOM 1405 CA ASP A 87 -4.808 -14.714 -3.962 1.00 0.00 C ATOM 1406 C ASP A 87 -3.835 -15.884 -3.919 1.00 0.00 C ATOM 1407 O ASP A 87 -4.219 -17.037 -4.108 1.00 0.00 O ATOM 1408 CB ASP A 87 -4.748 -14.024 -5.328 1.00 0.00 C ATOM 1409 CG ASP A 87 -5.805 -14.540 -6.284 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -7.003 -14.286 -6.039 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -5.435 -15.199 -7.279 1.00 0.00 O ATOM 0 H ASP A 87 -4.204 -12.849 -3.226 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.823 -15.082 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.876 -12.950 -5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.761 -14.176 -5.766 1.00 0.00 H new ATOM 1416 N PHE A 88 -2.570 -15.567 -3.663 1.00 0.00 N ATOM 1417 CA PHE A 88 -1.518 -16.575 -3.581 1.00 0.00 C ATOM 1418 C PHE A 88 -1.733 -17.510 -2.388 1.00 0.00 C ATOM 1419 O PHE A 88 -1.673 -18.733 -2.523 1.00 0.00 O ATOM 1420 CB PHE A 88 -0.150 -15.888 -3.454 1.00 0.00 C ATOM 1421 CG PHE A 88 1.023 -16.811 -3.654 1.00 0.00 C ATOM 1422 CD1 PHE A 88 1.169 -17.956 -2.881 1.00 0.00 C ATOM 1423 CD2 PHE A 88 1.978 -16.539 -4.622 1.00 0.00 C ATOM 1424 CE1 PHE A 88 2.237 -18.808 -3.072 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.048 -17.391 -4.811 1.00 0.00 C ATOM 1426 CZ PHE A 88 3.175 -18.526 -4.038 1.00 0.00 C ATOM 0 H PHE A 88 -2.246 -14.612 -3.508 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.551 -17.172 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.092 -15.081 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.075 -15.431 -2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.437 -18.182 -2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.884 -15.653 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.337 -19.695 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.787 -17.168 -5.566 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.010 -19.193 -4.191 1.00 0.00 H new ATOM 1436 N LEU A 89 -1.955 -16.920 -1.218 1.00 0.00 N ATOM 1437 CA LEU A 89 -2.144 -17.677 0.018 1.00 0.00 C ATOM 1438 C LEU A 89 -3.388 -18.556 -0.019 1.00 0.00 C ATOM 1439 O LEU A 89 -3.372 -19.680 0.476 1.00 0.00 O ATOM 1440 CB LEU A 89 -2.233 -16.721 1.203 1.00 0.00 C ATOM 1441 CG LEU A 89 -0.989 -15.868 1.432 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -1.277 -14.776 2.449 1.00 0.00 C ATOM 1443 CD2 LEU A 89 0.174 -16.739 1.885 1.00 0.00 C ATOM 0 H LEU A 89 -2.009 -15.909 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.281 -18.334 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.087 -16.060 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.430 -17.300 2.105 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.712 -15.392 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.380 -14.176 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.082 -14.139 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.576 -15.229 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.054 -16.116 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.089 -17.241 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.390 -17.484 1.119 1.00 0.00 H new ATOM 1455 N LYS A 90 -4.463 -18.043 -0.591 1.00 0.00 N ATOM 1456 CA LYS A 90 -5.706 -18.798 -0.666 1.00 0.00 C ATOM 1457 C LYS A 90 -5.714 -19.717 -1.882 1.00 0.00 C ATOM 1458 O LYS A 90 -6.372 -20.757 -1.886 1.00 0.00 O ATOM 1459 CB LYS A 90 -6.899 -17.843 -0.723 1.00 0.00 C ATOM 1460 CG LYS A 90 -7.405 -17.420 0.646 1.00 0.00 C ATOM 1461 CD LYS A 90 -6.361 -16.611 1.402 1.00 0.00 C ATOM 1462 CE LYS A 90 -6.808 -16.317 2.825 1.00 0.00 C ATOM 1463 NZ LYS A 90 -5.683 -16.420 3.795 1.00 0.00 N ATOM 0 H LYS A 90 -4.503 -17.113 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.784 -19.415 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.616 -16.954 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.711 -18.322 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.313 -16.828 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.671 -18.304 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.419 -17.158 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.175 -15.674 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.236 -15.316 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.596 -17.014 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.030 -16.212 4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.290 -17.383 3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.941 -15.737 3.540 1.00 0.00 H new ATOM 1477 N SER A 91 -5.003 -19.303 -2.924 1.00 0.00 N ATOM 1478 CA SER A 91 -4.932 -20.043 -4.181 1.00 0.00 C ATOM 1479 C SER A 91 -4.859 -21.564 -4.023 1.00 0.00 C ATOM 1480 O SER A 91 -5.260 -22.281 -4.939 1.00 0.00 O ATOM 1481 CB SER A 91 -3.729 -19.560 -4.997 1.00 0.00 C ATOM 1482 OG SER A 91 -4.135 -18.673 -6.026 1.00 0.00 O ATOM 0 H SER A 91 -4.457 -18.441 -2.922 1.00 0.00 H new ATOM 0 HA SER A 91 -5.870 -19.838 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.017 -19.059 -4.340 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.213 -20.416 -5.432 1.00 0.00 H new ATOM 0 HG SER A 91 -4.344 -17.797 -5.639 1.00 0.00 H new ATOM 1488 N HIS A 92 -4.368 -22.088 -2.894 1.00 0.00 N ATOM 1489 CA HIS A 92 -4.305 -23.543 -2.736 1.00 0.00 C ATOM 1490 C HIS A 92 -5.614 -24.113 -2.197 1.00 0.00 C ATOM 1491 O HIS A 92 -6.021 -23.811 -1.076 1.00 0.00 O ATOM 1492 CB HIS A 92 -3.132 -23.964 -1.840 1.00 0.00 C ATOM 1493 CG HIS A 92 -2.953 -23.138 -0.603 1.00 0.00 C ATOM 1494 ND1 HIS A 92 -3.778 -22.912 0.449 1.00 0.00 N flip ATOM 1495 CD2 HIS A 92 -1.788 -22.453 -0.325 1.00 0.00 C flip ATOM 1496 CE1 HIS A 92 -3.100 -22.108 1.331 1.00 0.00 C flip ATOM 1497 NE2 HIS A 92 -1.902 -21.846 0.840 1.00 0.00 N flip ATOM 0 H HIS A 92 -4.020 -21.548 -2.102 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.141 -23.957 -3.731 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -3.273 -25.004 -1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -2.213 -23.919 -2.425 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -0.917 -22.419 -0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.484 -21.748 2.274 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -1.187 -21.272 1.286 1.00 0.00 H new ATOM 1506 N GLU A 93 -6.269 -24.942 -3.005 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.537 -25.563 -2.616 1.00 0.00 C ATOM 1508 C GLU A 93 -7.484 -26.103 -1.184 1.00 0.00 C ATOM 1509 O GLU A 93 -6.765 -27.061 -0.896 1.00 0.00 O ATOM 1510 CB GLU A 93 -7.884 -26.696 -3.585 1.00 0.00 C ATOM 1511 CG GLU A 93 -9.342 -26.706 -4.014 1.00 0.00 C ATOM 1512 CD GLU A 93 -10.285 -26.995 -2.862 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -10.329 -26.184 -1.913 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -10.980 -28.032 -2.910 1.00 0.00 O ATOM 0 H GLU A 93 -5.944 -25.201 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.310 -24.796 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.254 -26.611 -4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.646 -27.650 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.595 -25.741 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.483 -27.456 -4.792 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.255 -25.480 -0.293 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.304 -25.898 1.108 1.00 0.00 C ATOM 1523 C LEU A 94 -9.744 -25.925 1.623 1.00 0.00 C ATOM 1524 O LEU A 94 -10.208 -24.975 2.252 1.00 0.00 O ATOM 1525 CB LEU A 94 -7.450 -24.965 1.975 1.00 0.00 C ATOM 1526 CG LEU A 94 -7.961 -23.523 2.084 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.463 -23.240 3.492 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.867 -22.536 1.699 1.00 0.00 C ATOM 0 H LEU A 94 -8.854 -24.685 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.899 -26.908 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.384 -25.387 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.438 -24.945 1.571 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.793 -23.401 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.822 -22.212 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.278 -23.923 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.650 -23.382 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.249 -21.519 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.014 -22.659 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.554 -22.723 0.672 1.00 0.00 H new ATOM 1540 N PRO A 95 -10.476 -27.020 1.352 1.00 0.00 N ATOM 1541 CA PRO A 95 -11.866 -27.172 1.774 1.00 0.00 C ATOM 1542 C PRO A 95 -12.018 -27.826 3.148 1.00 0.00 C ATOM 1543 O PRO A 95 -13.134 -27.997 3.638 1.00 0.00 O ATOM 1544 CB PRO A 95 -12.425 -28.088 0.690 1.00 0.00 C ATOM 1545 CG PRO A 95 -11.281 -28.977 0.324 1.00 0.00 C ATOM 1546 CD PRO A 95 -10.013 -28.198 0.596 1.00 0.00 C ATOM 0 HA PRO A 95 -12.371 -26.212 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.274 -28.665 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.775 -27.517 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.303 -29.895 0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.338 -29.267 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.298 -28.786 1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.516 -27.908 -0.330 1.00 0.00 H new ATOM 1554 N SER A 96 -10.900 -28.202 3.762 1.00 0.00 N ATOM 1555 CA SER A 96 -10.945 -28.848 5.072 1.00 0.00 C ATOM 1556 C SER A 96 -9.734 -28.494 5.930 1.00 0.00 C ATOM 1557 O SER A 96 -8.591 -28.732 5.539 1.00 0.00 O ATOM 1558 CB SER A 96 -11.037 -30.366 4.905 1.00 0.00 C ATOM 1559 OG SER A 96 -12.301 -30.850 5.327 1.00 0.00 O ATOM 0 H SER A 96 -9.963 -28.073 3.381 1.00 0.00 H new ATOM 0 HA SER A 96 -11.832 -28.479 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.873 -30.631 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.248 -30.847 5.483 1.00 0.00 H new ATOM 0 HG SER A 96 -12.335 -31.822 5.209 1.00 0.00 H new ATOM 1565 N HIS A 97 -9.998 -27.939 7.110 1.00 0.00 N ATOM 1566 CA HIS A 97 -8.937 -27.566 8.041 1.00 0.00 C ATOM 1567 C HIS A 97 -9.519 -27.110 9.385 1.00 0.00 C ATOM 1568 O HIS A 97 -9.240 -26.002 9.844 1.00 0.00 O ATOM 1569 CB HIS A 97 -8.071 -26.460 7.435 1.00 0.00 C ATOM 1570 CG HIS A 97 -6.858 -26.976 6.724 1.00 0.00 C ATOM 1571 ND1 HIS A 97 -5.933 -27.891 7.103 1.00 0.00 N flip ATOM 1572 CD2 HIS A 97 -6.481 -26.551 5.468 1.00 0.00 C flip ATOM 1573 CE1 HIS A 97 -5.026 -27.999 6.078 1.00 0.00 C flip ATOM 1574 NE2 HIS A 97 -5.379 -27.182 5.103 1.00 0.00 N flip ATOM 0 H HIS A 97 -10.940 -27.737 7.445 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.317 -28.444 8.222 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.673 -25.879 6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.757 -25.780 8.227 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.005 -25.816 4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.163 -28.648 6.071 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.885 -27.059 4.219 1.00 0.00 H new ATOM 1583 N PRO A 98 -10.356 -27.953 10.028 1.00 0.00 N ATOM 1584 CA PRO A 98 -10.995 -27.616 11.314 1.00 0.00 C ATOM 1585 C PRO A 98 -10.026 -27.465 12.501 1.00 0.00 C ATOM 1586 O PRO A 98 -10.134 -26.505 13.265 1.00 0.00 O ATOM 1587 CB PRO A 98 -11.947 -28.795 11.570 1.00 0.00 C ATOM 1588 CG PRO A 98 -12.083 -29.490 10.258 1.00 0.00 C ATOM 1589 CD PRO A 98 -10.781 -29.282 9.546 1.00 0.00 C ATOM 0 HA PRO A 98 -11.476 -26.641 11.243 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -11.545 -29.466 12.330 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -12.914 -28.447 11.932 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -12.286 -30.552 10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -12.913 -29.079 9.683 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.054 -30.055 9.797 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.904 -29.300 8.463 1.00 0.00 H new ATOM 1597 N PRO A 99 -9.093 -28.420 12.709 1.00 0.00 N ATOM 1598 CA PRO A 99 -8.161 -28.374 13.845 1.00 0.00 C ATOM 1599 C PRO A 99 -7.129 -27.237 13.792 1.00 0.00 C ATOM 1600 O PRO A 99 -6.790 -26.674 14.833 1.00 0.00 O ATOM 1601 CB PRO A 99 -7.467 -29.739 13.822 1.00 0.00 C ATOM 1602 CG PRO A 99 -7.686 -30.297 12.457 1.00 0.00 C ATOM 1603 CD PRO A 99 -8.907 -29.624 11.881 1.00 0.00 C ATOM 0 HA PRO A 99 -8.710 -28.170 14.764 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -6.403 -29.638 14.034 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.883 -30.399 14.583 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.816 -30.117 11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.829 -31.377 12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.759 -29.365 10.833 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.779 -30.276 11.929 1.00 0.00 H new ATOM 1611 N PRO A 100 -6.596 -26.878 12.607 1.00 0.00 N ATOM 1612 CA PRO A 100 -5.596 -25.805 12.496 1.00 0.00 C ATOM 1613 C PRO A 100 -6.178 -24.405 12.709 1.00 0.00 C ATOM 1614 O PRO A 100 -5.538 -23.406 12.375 1.00 0.00 O ATOM 1615 CB PRO A 100 -5.081 -25.951 11.064 1.00 0.00 C ATOM 1616 CG PRO A 100 -6.220 -26.553 10.323 1.00 0.00 C ATOM 1617 CD PRO A 100 -6.902 -27.477 11.295 1.00 0.00 C ATOM 0 HA PRO A 100 -4.828 -25.900 13.263 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.798 -24.986 10.643 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.198 -26.588 11.022 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -6.906 -25.783 9.969 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -5.871 -27.098 9.446 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.976 -27.526 11.116 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.519 -28.495 11.219 1.00 0.00 H new ATOM 1625 N SER A 101 -7.386 -24.330 13.268 1.00 0.00 N ATOM 1626 CA SER A 101 -8.030 -23.046 13.521 1.00 0.00 C ATOM 1627 C SER A 101 -8.295 -22.857 15.014 1.00 0.00 C ATOM 1628 O SER A 101 -9.433 -22.962 15.471 1.00 0.00 O ATOM 1629 CB SER A 101 -9.342 -22.946 12.738 1.00 0.00 C ATOM 1630 OG SER A 101 -9.207 -22.083 11.623 1.00 0.00 O ATOM 0 H SER A 101 -7.935 -25.141 13.552 1.00 0.00 H new ATOM 0 HA SER A 101 -7.357 -22.256 13.187 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.643 -23.937 12.400 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.132 -22.578 13.392 1.00 0.00 H new ATOM 0 HG SER A 101 -10.058 -22.038 11.139 1.00 0.00 H new ATOM 1636 N SER A 102 -7.236 -22.579 15.768 1.00 0.00 N ATOM 1637 CA SER A 102 -7.352 -22.376 17.209 1.00 0.00 C ATOM 1638 C SER A 102 -7.162 -20.906 17.569 1.00 0.00 C ATOM 1639 O SER A 102 -6.191 -20.297 17.074 1.00 0.00 O ATOM 1640 CB SER A 102 -6.321 -23.231 17.950 1.00 0.00 C ATOM 1641 OG SER A 102 -6.887 -23.827 19.105 1.00 0.00 O ATOM 1642 OXT SER A 102 -7.988 -20.376 18.342 1.00 0.00 O ATOM 0 H SER A 102 -6.287 -22.489 15.405 1.00 0.00 H new ATOM 0 HA SER A 102 -8.354 -22.680 17.514 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.942 -24.007 17.285 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.470 -22.613 18.236 1.00 0.00 H new ATOM 0 HG SER A 102 -6.209 -24.369 19.559 1.00 0.00 H new TER 1648 SER A 102