USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 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 67 GLN : amide:sc= 1.06 K(o=2,f=-0.00079) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.912 K(o=2,f=-1) USER MOD Set 2.1: A 32 HIS : no HD1:sc= 0 X(o=0,f=0.011) USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.392 K(o=-0.39,f=-6.5!) USER MOD Single : A 6 GLN : amide:sc= 0.173 X(o=0.17,f=-0.023) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc=-0.00185 (180deg=-0.108) USER MOD Single : A 47 ASN : amide:sc= -0.236 K(o=-0.24,f=-4.6!) USER MOD Single : A 56 GLN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.000735 F(o=-0.91,f=-0.00073) USER MOD Single : A 59 LYS NZ :NH3+ -144:sc= -0.444 (180deg=-2.86!) USER MOD Single : A 61 SER OG : rot 71:sc= 0.748 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=-0.55) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= 1.32 (180deg=1.15) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= -2.23! USER MOD Single : A 77 MET CE :methyl -143:sc= -7.1! (180deg=-11!) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.121 (180deg=-0.543) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.253 -0.897 -7.501 1.00 14.52 N ATOM 2 CA GLY A 1 14.451 -0.364 -6.395 1.00 10.53 C ATOM 3 C GLY A 1 15.347 0.294 -5.366 1.00 61.02 C ATOM 4 O GLY A 1 16.521 0.550 -5.647 1.00 52.50 O ATOM 0 H1 GLY A 1 14.928 -0.482 -8.397 1.00 14.52 H new ATOM 0 H2 GLY A 1 16.254 -0.657 -7.351 1.00 14.52 H new ATOM 0 H3 GLY A 1 15.147 -1.931 -7.540 1.00 14.52 H new ATOM 0 HA2 GLY A 1 13.730 0.360 -6.775 1.00 10.53 H new ATOM 0 HA3 GLY A 1 13.881 -1.168 -5.930 1.00 10.53 H new ATOM 8 N SER A 2 14.810 0.566 -4.178 1.00 14.23 N ATOM 9 CA SER A 2 15.556 1.156 -3.072 1.00 1.35 C ATOM 10 C SER A 2 15.564 0.220 -1.859 1.00 61.31 C ATOM 11 O SER A 2 14.998 -0.878 -1.889 1.00 12.11 O ATOM 12 CB SER A 2 14.991 2.543 -2.772 1.00 1.21 C ATOM 13 OG SER A 2 15.507 3.501 -3.681 1.00 24.43 O ATOM 0 H SER A 2 13.832 0.380 -3.955 1.00 14.23 H new ATOM 0 HA SER A 2 16.603 1.284 -3.347 1.00 1.35 H new ATOM 0 HB2 SER A 2 13.903 2.520 -2.838 1.00 1.21 H new ATOM 0 HB3 SER A 2 15.242 2.831 -1.751 1.00 1.21 H new ATOM 0 HG SER A 2 15.133 4.383 -3.474 1.00 24.43 H new ATOM 19 N GLU A 3 16.236 0.634 -0.781 1.00 42.10 N ATOM 20 CA GLU A 3 16.420 -0.152 0.439 1.00 21.04 C ATOM 21 C GLU A 3 15.116 -0.676 1.036 1.00 44.30 C ATOM 22 O GLU A 3 15.112 -1.780 1.584 1.00 53.50 O ATOM 23 CB GLU A 3 17.163 0.666 1.492 1.00 61.00 C ATOM 24 CG GLU A 3 16.533 2.041 1.792 1.00 75.42 C ATOM 25 CD GLU A 3 17.508 3.129 1.376 1.00 4.21 C ATOM 26 OE1 GLU A 3 17.458 3.559 0.200 1.00 55.40 O ATOM 27 OE2 GLU A 3 18.437 3.406 2.174 1.00 75.22 O ATOM 0 H GLU A 3 16.679 1.552 -0.733 1.00 42.10 H new ATOM 0 HA GLU A 3 17.007 -1.022 0.145 1.00 21.04 H new ATOM 0 HB2 GLU A 3 17.207 0.091 2.417 1.00 61.00 H new ATOM 0 HB3 GLU A 3 18.190 0.815 1.160 1.00 61.00 H new ATOM 0 HG2 GLU A 3 15.593 2.151 1.252 1.00 75.42 H new ATOM 0 HG3 GLU A 3 16.303 2.127 2.854 1.00 75.42 H new ATOM 34 N ASN A 4 14.026 0.075 0.876 1.00 31.33 N ATOM 35 CA ASN A 4 12.711 -0.265 1.397 1.00 63.34 C ATOM 36 C ASN A 4 12.224 -1.628 0.871 1.00 14.25 C ATOM 37 O ASN A 4 11.574 -2.347 1.621 1.00 24.43 O ATOM 38 CB ASN A 4 11.721 0.872 1.072 1.00 33.43 C ATOM 39 CG ASN A 4 11.124 0.701 -0.312 1.00 40.14 C ATOM 40 OD1 ASN A 4 10.150 -0.023 -0.455 1.00 43.10 O ATOM 41 ND2 ASN A 4 11.724 1.294 -1.330 1.00 44.50 N ATOM 0 H ASN A 4 14.039 0.959 0.367 1.00 31.33 H new ATOM 0 HA ASN A 4 12.776 -0.367 2.480 1.00 63.34 H new ATOM 0 HB2 ASN A 4 10.924 0.887 1.815 1.00 33.43 H new ATOM 0 HB3 ASN A 4 12.233 1.832 1.134 1.00 33.43 H new ATOM 0 HD21 ASN A 4 11.376 1.155 -2.279 1.00 44.50 H new ATOM 0 HD22 ASN A 4 12.535 1.891 -1.167 1.00 44.50 H new ATOM 48 N PHE A 5 12.561 -2.011 -0.372 1.00 12.31 N ATOM 49 CA PHE A 5 12.027 -3.198 -1.043 1.00 75.14 C ATOM 50 C PHE A 5 12.196 -4.453 -0.188 1.00 32.13 C ATOM 51 O PHE A 5 11.214 -5.128 0.120 1.00 34.41 O ATOM 52 CB PHE A 5 12.691 -3.370 -2.418 1.00 11.52 C ATOM 53 CG PHE A 5 12.379 -4.673 -3.139 1.00 20.35 C ATOM 54 CD1 PHE A 5 11.083 -4.961 -3.615 1.00 75.41 C ATOM 55 CD2 PHE A 5 13.405 -5.620 -3.327 1.00 23.14 C ATOM 56 CE1 PHE A 5 10.835 -6.163 -4.300 1.00 15.35 C ATOM 57 CE2 PHE A 5 13.151 -6.824 -4.005 1.00 12.43 C ATOM 58 CZ PHE A 5 11.869 -7.087 -4.512 1.00 54.20 C ATOM 0 H PHE A 5 13.225 -1.491 -0.946 1.00 12.31 H new ATOM 0 HA PHE A 5 10.956 -3.053 -1.188 1.00 75.14 H new ATOM 0 HB2 PHE A 5 12.386 -2.540 -3.056 1.00 11.52 H new ATOM 0 HB3 PHE A 5 13.771 -3.295 -2.292 1.00 11.52 H new ATOM 0 HD1 PHE A 5 10.280 -4.257 -3.453 1.00 75.41 H new ATOM 0 HD2 PHE A 5 14.396 -5.419 -2.947 1.00 23.14 H new ATOM 0 HE1 PHE A 5 9.842 -6.377 -4.666 1.00 15.35 H new ATOM 0 HE2 PHE A 5 13.942 -7.547 -4.136 1.00 12.43 H new ATOM 0 HZ PHE A 5 11.679 -7.996 -5.063 1.00 54.20 H new ATOM 68 N GLN A 6 13.436 -4.759 0.202 1.00 12.31 N ATOM 69 CA GLN A 6 13.759 -5.909 1.037 1.00 73.02 C ATOM 70 C GLN A 6 13.007 -5.864 2.372 1.00 35.33 C ATOM 71 O GLN A 6 12.656 -6.928 2.885 1.00 53.21 O ATOM 72 CB GLN A 6 15.285 -5.978 1.244 1.00 55.52 C ATOM 73 CG GLN A 6 15.768 -7.190 2.059 1.00 31.25 C ATOM 74 CD GLN A 6 15.457 -8.523 1.382 1.00 72.24 C ATOM 75 OE1 GLN A 6 16.213 -8.993 0.531 1.00 75.10 O ATOM 76 NE2 GLN A 6 14.320 -9.127 1.676 1.00 32.42 N ATOM 0 H GLN A 6 14.252 -4.205 -0.059 1.00 12.31 H new ATOM 0 HA GLN A 6 13.433 -6.817 0.530 1.00 73.02 H new ATOM 0 HB2 GLN A 6 15.770 -5.997 0.268 1.00 55.52 H new ATOM 0 HB3 GLN A 6 15.612 -5.067 1.745 1.00 55.52 H new ATOM 0 HG2 GLN A 6 16.844 -7.110 2.216 1.00 31.25 H new ATOM 0 HG3 GLN A 6 15.300 -7.170 3.043 1.00 31.25 H new ATOM 0 HE21 GLN A 6 13.700 -8.731 2.382 1.00 32.42 H new ATOM 0 HE22 GLN A 6 14.062 -9.990 1.197 1.00 32.42 H new ATOM 85 N THR A 7 12.733 -4.679 2.928 1.00 63.44 N ATOM 86 CA THR A 7 11.948 -4.573 4.145 1.00 23.04 C ATOM 87 C THR A 7 10.500 -5.003 3.900 1.00 61.44 C ATOM 88 O THR A 7 9.926 -5.616 4.790 1.00 21.02 O ATOM 89 CB THR A 7 12.026 -3.160 4.745 1.00 4.53 C ATOM 90 OG1 THR A 7 13.377 -2.735 4.823 1.00 73.21 O ATOM 91 CG2 THR A 7 11.454 -3.139 6.163 1.00 11.32 C ATOM 0 H THR A 7 13.046 -3.785 2.549 1.00 63.44 H new ATOM 0 HA THR A 7 12.377 -5.256 4.879 1.00 23.04 H new ATOM 0 HB THR A 7 11.450 -2.498 4.098 1.00 4.53 H new ATOM 0 HG1 THR A 7 13.415 -1.833 5.205 1.00 73.21 H new ATOM 0 HG21 THR A 7 11.520 -2.129 6.567 1.00 11.32 H new ATOM 0 HG22 THR A 7 10.410 -3.453 6.139 1.00 11.32 H new ATOM 0 HG23 THR A 7 12.023 -3.820 6.795 1.00 11.32 H new ATOM 99 N LEU A 8 9.888 -4.782 2.727 1.00 31.41 N ATOM 100 CA LEU A 8 8.531 -5.301 2.516 1.00 11.34 C ATOM 101 C LEU A 8 8.532 -6.828 2.594 1.00 73.24 C ATOM 102 O LEU A 8 7.615 -7.417 3.167 1.00 35.24 O ATOM 103 CB LEU A 8 7.896 -4.861 1.185 1.00 4.44 C ATOM 104 CG LEU A 8 7.457 -3.386 1.031 1.00 53.22 C ATOM 105 CD1 LEU A 8 7.211 -2.655 2.356 1.00 21.13 C ATOM 106 CD2 LEU A 8 8.416 -2.602 0.139 1.00 63.23 C ATOM 0 H LEU A 8 10.290 -4.270 1.942 1.00 31.41 H new ATOM 0 HA LEU A 8 7.922 -4.874 3.313 1.00 11.34 H new ATOM 0 HB2 LEU A 8 8.608 -5.080 0.389 1.00 4.44 H new ATOM 0 HB3 LEU A 8 7.021 -5.488 1.012 1.00 4.44 H new ATOM 0 HG LEU A 8 6.485 -3.434 0.540 1.00 53.22 H new ATOM 0 HD11 LEU A 8 6.907 -1.628 2.154 1.00 21.13 H new ATOM 0 HD12 LEU A 8 6.423 -3.164 2.911 1.00 21.13 H new ATOM 0 HD13 LEU A 8 8.128 -2.653 2.946 1.00 21.13 H new ATOM 0 HD21 LEU A 8 8.074 -1.570 0.055 1.00 63.23 H new ATOM 0 HD22 LEU A 8 9.415 -2.619 0.575 1.00 63.23 H new ATOM 0 HD23 LEU A 8 8.445 -3.056 -0.851 1.00 63.23 H new ATOM 118 N LEU A 9 9.562 -7.468 2.034 1.00 35.31 N ATOM 119 CA LEU A 9 9.719 -8.921 2.059 1.00 2.42 C ATOM 120 C LEU A 9 9.962 -9.451 3.480 1.00 71.41 C ATOM 121 O LEU A 9 9.818 -10.654 3.712 1.00 14.11 O ATOM 122 CB LEU A 9 10.882 -9.348 1.142 1.00 20.02 C ATOM 123 CG LEU A 9 10.622 -9.391 -0.375 1.00 24.03 C ATOM 124 CD1 LEU A 9 9.316 -10.094 -0.748 1.00 53.44 C ATOM 125 CD2 LEU A 9 10.664 -8.014 -1.039 1.00 24.43 C ATOM 0 H LEU A 9 10.317 -6.985 1.546 1.00 35.31 H new ATOM 0 HA LEU A 9 8.786 -9.352 1.696 1.00 2.42 H new ATOM 0 HB2 LEU A 9 11.715 -8.668 1.320 1.00 20.02 H new ATOM 0 HB3 LEU A 9 11.208 -10.340 1.454 1.00 20.02 H new ATOM 0 HG LEU A 9 11.452 -9.982 -0.763 1.00 24.03 H new ATOM 0 HD11 LEU A 9 9.196 -10.088 -1.831 1.00 53.44 H new ATOM 0 HD12 LEU A 9 9.342 -11.124 -0.392 1.00 53.44 H new ATOM 0 HD13 LEU A 9 8.477 -9.572 -0.287 1.00 53.44 H new ATOM 0 HD21 LEU A 9 10.473 -8.119 -2.107 1.00 24.43 H new ATOM 0 HD22 LEU A 9 9.902 -7.373 -0.595 1.00 24.43 H new ATOM 0 HD23 LEU A 9 11.647 -7.567 -0.889 1.00 24.43 H new ATOM 137 N ASP A 10 10.333 -8.580 4.416 1.00 55.31 N ATOM 138 CA ASP A 10 10.556 -8.868 5.835 1.00 64.33 C ATOM 139 C ASP A 10 9.272 -8.593 6.627 1.00 32.03 C ATOM 140 O ASP A 10 8.863 -9.387 7.474 1.00 43.53 O ATOM 141 CB ASP A 10 11.714 -7.977 6.310 1.00 2.24 C ATOM 142 CG ASP A 10 12.207 -8.229 7.733 1.00 64.32 C ATOM 143 OD1 ASP A 10 11.409 -8.272 8.702 1.00 22.05 O ATOM 144 OD2 ASP A 10 13.444 -8.225 7.915 1.00 72.32 O ATOM 0 H ASP A 10 10.496 -7.598 4.194 1.00 55.31 H new ATOM 0 HA ASP A 10 10.814 -9.915 5.992 1.00 64.33 H new ATOM 0 HB2 ASP A 10 12.553 -8.109 5.627 1.00 2.24 H new ATOM 0 HB3 ASP A 10 11.401 -6.936 6.233 1.00 2.24 H new ATOM 149 N ALA A 11 8.561 -7.518 6.273 1.00 63.23 N ATOM 150 CA ALA A 11 7.368 -6.941 6.889 1.00 41.43 C ATOM 151 C ALA A 11 6.124 -7.805 6.699 1.00 33.44 C ATOM 152 O ALA A 11 5.002 -7.378 6.983 1.00 61.43 O ATOM 153 CB ALA A 11 7.105 -5.563 6.272 1.00 72.13 C ATOM 0 H ALA A 11 8.841 -6.973 5.457 1.00 63.23 H new ATOM 0 HA ALA A 11 7.560 -6.871 7.960 1.00 41.43 H new ATOM 0 HB1 ALA A 11 6.216 -5.125 6.726 1.00 72.13 H new ATOM 0 HB2 ALA A 11 7.962 -4.914 6.452 1.00 72.13 H new ATOM 0 HB3 ALA A 11 6.949 -5.669 5.198 1.00 72.13 H new ATOM 159 N GLY A 12 6.303 -9.006 6.167 1.00 73.13 N ATOM 160 CA GLY A 12 5.286 -10.017 6.052 1.00 3.33 C ATOM 161 C GLY A 12 4.827 -10.257 4.625 1.00 12.51 C ATOM 162 O GLY A 12 3.939 -11.086 4.426 1.00 3.34 O ATOM 0 H GLY A 12 7.203 -9.305 5.791 1.00 73.13 H new ATOM 0 HA2 GLY A 12 5.666 -10.952 6.465 1.00 3.33 H new ATOM 0 HA3 GLY A 12 4.427 -9.727 6.657 1.00 3.33 H new ATOM 166 N LEU A 13 5.370 -9.541 3.634 1.00 11.45 N ATOM 167 CA LEU A 13 4.719 -9.447 2.332 1.00 72.00 C ATOM 168 C LEU A 13 5.420 -10.293 1.270 1.00 60.01 C ATOM 169 O LEU A 13 6.625 -10.548 1.362 1.00 0.25 O ATOM 170 CB LEU A 13 4.629 -7.977 1.896 1.00 63.12 C ATOM 171 CG LEU A 13 3.855 -7.090 2.887 1.00 11.52 C ATOM 172 CD1 LEU A 13 4.124 -5.602 2.633 1.00 35.32 C ATOM 173 CD2 LEU A 13 2.356 -7.384 2.774 1.00 11.12 C ATOM 0 H LEU A 13 6.247 -9.026 3.711 1.00 11.45 H new ATOM 0 HA LEU A 13 3.712 -9.850 2.435 1.00 72.00 H new ATOM 0 HB2 LEU A 13 5.637 -7.580 1.775 1.00 63.12 H new ATOM 0 HB3 LEU A 13 4.147 -7.924 0.920 1.00 63.12 H new ATOM 0 HG LEU A 13 4.198 -7.321 3.896 1.00 11.52 H new ATOM 0 HD11 LEU A 13 3.562 -5.003 3.350 1.00 35.32 H new ATOM 0 HD12 LEU A 13 5.189 -5.400 2.747 1.00 35.32 H new ATOM 0 HD13 LEU A 13 3.812 -5.343 1.621 1.00 35.32 H new ATOM 0 HD21 LEU A 13 1.808 -6.756 3.476 1.00 11.12 H new ATOM 0 HD22 LEU A 13 2.019 -7.173 1.759 1.00 11.12 H new ATOM 0 HD23 LEU A 13 2.172 -8.433 3.006 1.00 11.12 H new ATOM 185 N PRO A 14 4.690 -10.714 0.224 1.00 15.52 N ATOM 186 CA PRO A 14 5.263 -11.422 -0.910 1.00 11.25 C ATOM 187 C PRO A 14 5.965 -10.467 -1.881 1.00 62.41 C ATOM 188 O PRO A 14 5.858 -9.240 -1.785 1.00 40.14 O ATOM 189 CB PRO A 14 4.078 -12.097 -1.588 1.00 35.05 C ATOM 190 CG PRO A 14 2.937 -11.121 -1.323 1.00 20.42 C ATOM 191 CD PRO A 14 3.244 -10.593 0.069 1.00 2.53 C ATOM 0 HA PRO A 14 6.025 -12.133 -0.591 1.00 11.25 H new ATOM 0 HB2 PRO A 14 4.249 -12.239 -2.655 1.00 35.05 H new ATOM 0 HB3 PRO A 14 3.876 -13.081 -1.164 1.00 35.05 H new ATOM 0 HG2 PRO A 14 2.914 -10.319 -2.061 1.00 20.42 H new ATOM 0 HG3 PRO A 14 1.967 -11.617 -1.360 1.00 20.42 H new ATOM 0 HD2 PRO A 14 2.924 -9.556 0.175 1.00 2.53 H new ATOM 0 HD3 PRO A 14 2.718 -11.168 0.831 1.00 2.53 H new ATOM 199 N GLN A 15 6.649 -11.047 -2.873 1.00 41.51 N ATOM 200 CA GLN A 15 7.471 -10.310 -3.805 1.00 52.30 C ATOM 201 C GLN A 15 6.614 -9.561 -4.796 1.00 31.03 C ATOM 202 O GLN A 15 6.950 -8.429 -5.111 1.00 62.04 O ATOM 203 CB GLN A 15 8.404 -11.270 -4.547 1.00 24.45 C ATOM 204 CG GLN A 15 9.458 -10.530 -5.387 1.00 61.10 C ATOM 205 CD GLN A 15 10.858 -10.907 -4.938 1.00 43.12 C ATOM 206 OE1 GLN A 15 11.500 -11.765 -5.540 1.00 14.42 O ATOM 207 NE2 GLN A 15 11.329 -10.307 -3.861 1.00 24.42 N ATOM 0 H GLN A 15 6.639 -12.053 -3.043 1.00 41.51 H new ATOM 0 HA GLN A 15 8.065 -9.588 -3.246 1.00 52.30 H new ATOM 0 HB2 GLN A 15 8.906 -11.915 -3.826 1.00 24.45 H new ATOM 0 HB3 GLN A 15 7.814 -11.917 -5.197 1.00 24.45 H new ATOM 0 HG2 GLN A 15 9.329 -10.776 -6.441 1.00 61.10 H new ATOM 0 HG3 GLN A 15 9.317 -9.453 -5.292 1.00 61.10 H new ATOM 0 HE21 GLN A 15 10.769 -9.599 -3.386 1.00 24.42 H new ATOM 0 HE22 GLN A 15 12.253 -10.551 -3.504 1.00 24.42 H new ATOM 216 N LYS A 16 5.550 -10.180 -5.319 1.00 5.55 N ATOM 217 CA LYS A 16 4.889 -9.583 -6.469 1.00 23.42 C ATOM 218 C LYS A 16 4.271 -8.238 -6.094 1.00 45.41 C ATOM 219 O LYS A 16 4.410 -7.251 -6.806 1.00 3.32 O ATOM 220 CB LYS A 16 3.861 -10.532 -7.096 1.00 43.11 C ATOM 221 CG LYS A 16 4.484 -11.816 -7.684 1.00 24.34 C ATOM 222 CD LYS A 16 4.096 -13.081 -6.906 1.00 32.42 C ATOM 223 CE LYS A 16 4.915 -14.287 -7.384 1.00 64.11 C ATOM 224 NZ LYS A 16 4.360 -15.558 -6.876 1.00 64.44 N ATOM 0 H LYS A 16 5.147 -11.054 -4.979 1.00 5.55 H new ATOM 0 HA LYS A 16 5.645 -9.402 -7.233 1.00 23.42 H new ATOM 0 HB2 LYS A 16 3.125 -10.808 -6.340 1.00 43.11 H new ATOM 0 HB3 LYS A 16 3.325 -10.004 -7.885 1.00 43.11 H new ATOM 0 HG2 LYS A 16 4.169 -11.924 -8.722 1.00 24.34 H new ATOM 0 HG3 LYS A 16 5.570 -11.717 -7.689 1.00 24.34 H new ATOM 0 HD2 LYS A 16 4.261 -12.923 -5.840 1.00 32.42 H new ATOM 0 HD3 LYS A 16 3.033 -13.283 -7.037 1.00 32.42 H new ATOM 0 HE2 LYS A 16 4.932 -14.307 -8.474 1.00 64.11 H new ATOM 0 HE3 LYS A 16 5.947 -14.181 -7.051 1.00 64.11 H new ATOM 0 HZ1 LYS A 16 4.939 -16.351 -7.219 1.00 64.44 H new ATOM 0 HZ2 LYS A 16 4.367 -15.549 -5.836 1.00 64.44 H new ATOM 0 HZ3 LYS A 16 3.383 -15.670 -7.215 1.00 64.44 H new ATOM 238 N VAL A 17 3.664 -8.212 -4.913 1.00 54.12 N ATOM 239 CA VAL A 17 3.207 -7.020 -4.225 1.00 53.42 C ATOM 240 C VAL A 17 4.406 -6.084 -4.010 1.00 41.44 C ATOM 241 O VAL A 17 4.367 -4.941 -4.468 1.00 31.25 O ATOM 242 CB VAL A 17 2.499 -7.444 -2.919 1.00 32.33 C ATOM 243 CG1 VAL A 17 1.859 -6.254 -2.201 1.00 0.32 C ATOM 244 CG2 VAL A 17 1.392 -8.484 -3.179 1.00 55.10 C ATOM 0 H VAL A 17 3.470 -9.065 -4.388 1.00 54.12 H new ATOM 0 HA VAL A 17 2.477 -6.462 -4.811 1.00 53.42 H new ATOM 0 HB VAL A 17 3.279 -7.878 -2.293 1.00 32.33 H new ATOM 0 HG11 VAL A 17 1.373 -6.598 -1.288 1.00 0.32 H new ATOM 0 HG12 VAL A 17 2.629 -5.524 -1.949 1.00 0.32 H new ATOM 0 HG13 VAL A 17 1.119 -5.790 -2.854 1.00 0.32 H new ATOM 0 HG21 VAL A 17 0.919 -8.756 -2.235 1.00 55.10 H new ATOM 0 HG22 VAL A 17 0.645 -8.060 -3.850 1.00 55.10 H new ATOM 0 HG23 VAL A 17 1.828 -9.373 -3.635 1.00 55.10 H new ATOM 254 N ALA A 18 5.477 -6.555 -3.350 1.00 11.52 N ATOM 255 CA ALA A 18 6.631 -5.721 -2.996 1.00 34.43 C ATOM 256 C ALA A 18 7.257 -5.024 -4.202 1.00 53.52 C ATOM 257 O ALA A 18 7.674 -3.878 -4.087 1.00 3.43 O ATOM 258 CB ALA A 18 7.699 -6.546 -2.272 1.00 41.30 C ATOM 0 H ALA A 18 5.564 -7.525 -3.048 1.00 11.52 H new ATOM 0 HA ALA A 18 6.249 -4.946 -2.331 1.00 34.43 H new ATOM 0 HB1 ALA A 18 8.544 -5.906 -2.020 1.00 41.30 H new ATOM 0 HB2 ALA A 18 7.277 -6.966 -1.359 1.00 41.30 H new ATOM 0 HB3 ALA A 18 8.037 -7.354 -2.921 1.00 41.30 H new ATOM 264 N GLU A 19 7.311 -5.684 -5.356 1.00 23.02 N ATOM 265 CA GLU A 19 7.864 -5.139 -6.586 1.00 44.53 C ATOM 266 C GLU A 19 7.088 -3.928 -7.096 1.00 70.32 C ATOM 267 O GLU A 19 7.627 -3.178 -7.908 1.00 62.53 O ATOM 268 CB GLU A 19 7.877 -6.209 -7.686 1.00 14.34 C ATOM 269 CG GLU A 19 8.982 -7.258 -7.493 1.00 73.02 C ATOM 270 CD GLU A 19 9.635 -7.637 -8.816 1.00 43.31 C ATOM 271 OE1 GLU A 19 10.125 -6.730 -9.530 1.00 41.43 O ATOM 272 OE2 GLU A 19 9.669 -8.843 -9.140 1.00 10.14 O ATOM 0 H GLU A 19 6.962 -6.637 -5.461 1.00 23.02 H new ATOM 0 HA GLU A 19 8.878 -4.818 -6.349 1.00 44.53 H new ATOM 0 HB2 GLU A 19 6.909 -6.710 -7.709 1.00 14.34 H new ATOM 0 HB3 GLU A 19 8.009 -5.725 -8.654 1.00 14.34 H new ATOM 0 HG2 GLU A 19 9.739 -6.869 -6.812 1.00 73.02 H new ATOM 0 HG3 GLU A 19 8.561 -8.149 -7.026 1.00 73.02 H new ATOM 279 N LYS A 20 5.830 -3.739 -6.686 1.00 63.44 N ATOM 280 CA LYS A 20 5.092 -2.505 -6.955 1.00 24.05 C ATOM 281 C LYS A 20 5.138 -1.578 -5.738 1.00 33.43 C ATOM 282 O LYS A 20 5.115 -0.361 -5.892 1.00 71.22 O ATOM 283 CB LYS A 20 3.638 -2.842 -7.315 1.00 10.42 C ATOM 284 CG LYS A 20 3.386 -3.109 -8.807 1.00 54.30 C ATOM 285 CD LYS A 20 3.861 -4.463 -9.350 1.00 74.24 C ATOM 286 CE LYS A 20 5.280 -4.452 -9.911 1.00 14.13 C ATOM 287 NZ LYS A 20 5.534 -5.623 -10.770 1.00 42.24 N ATOM 0 H LYS A 20 5.299 -4.434 -6.161 1.00 63.44 H new ATOM 0 HA LYS A 20 5.557 -1.989 -7.795 1.00 24.05 H new ATOM 0 HB2 LYS A 20 3.333 -3.721 -6.747 1.00 10.42 H new ATOM 0 HB3 LYS A 20 3.000 -2.018 -6.995 1.00 10.42 H new ATOM 0 HG2 LYS A 20 2.315 -3.024 -8.993 1.00 54.30 H new ATOM 0 HG3 LYS A 20 3.873 -2.321 -9.382 1.00 54.30 H new ATOM 0 HD2 LYS A 20 3.805 -5.202 -8.551 1.00 74.24 H new ATOM 0 HD3 LYS A 20 3.176 -4.788 -10.133 1.00 74.24 H new ATOM 0 HE2 LYS A 20 5.438 -3.539 -10.484 1.00 14.13 H new ATOM 0 HE3 LYS A 20 5.996 -4.441 -9.090 1.00 14.13 H new ATOM 0 HZ1 LYS A 20 6.508 -5.582 -11.133 1.00 42.24 H new ATOM 0 HZ2 LYS A 20 5.407 -6.494 -10.216 1.00 42.24 H new ATOM 0 HZ3 LYS A 20 4.866 -5.620 -11.567 1.00 42.24 H new ATOM 301 N LEU A 21 5.175 -2.131 -4.527 1.00 60.34 N ATOM 302 CA LEU A 21 5.135 -1.396 -3.267 1.00 55.10 C ATOM 303 C LEU A 21 6.412 -0.583 -3.063 1.00 42.11 C ATOM 304 O LEU A 21 6.333 0.507 -2.515 1.00 52.33 O ATOM 305 CB LEU A 21 4.845 -2.407 -2.131 1.00 52.53 C ATOM 306 CG LEU A 21 3.921 -1.873 -1.013 1.00 40.15 C ATOM 307 CD1 LEU A 21 2.920 -2.927 -0.537 1.00 64.32 C ATOM 308 CD2 LEU A 21 4.673 -1.427 0.231 1.00 22.45 C ATOM 0 H LEU A 21 5.236 -3.140 -4.393 1.00 60.34 H new ATOM 0 HA LEU A 21 4.334 -0.656 -3.272 1.00 55.10 H new ATOM 0 HB2 LEU A 21 4.392 -3.299 -2.564 1.00 52.53 H new ATOM 0 HB3 LEU A 21 5.791 -2.714 -1.686 1.00 52.53 H new ATOM 0 HG LEU A 21 3.420 -1.024 -1.478 1.00 40.15 H new ATOM 0 HD11 LEU A 21 2.293 -2.505 0.248 1.00 64.32 H new ATOM 0 HD12 LEU A 21 2.294 -3.238 -1.373 1.00 64.32 H new ATOM 0 HD13 LEU A 21 3.459 -3.790 -0.147 1.00 64.32 H new ATOM 0 HD21 LEU A 21 3.963 -1.064 0.974 1.00 22.45 H new ATOM 0 HD22 LEU A 21 5.229 -2.270 0.641 1.00 22.45 H new ATOM 0 HD23 LEU A 21 5.366 -0.627 -0.030 1.00 22.45 H new ATOM 320 N ASP A 22 7.553 -1.056 -3.562 1.00 63.31 N ATOM 321 CA ASP A 22 8.853 -0.379 -3.542 1.00 43.30 C ATOM 322 C ASP A 22 8.782 1.017 -4.160 1.00 1.35 C ATOM 323 O ASP A 22 9.117 1.998 -3.504 1.00 52.24 O ATOM 324 CB ASP A 22 9.867 -1.300 -4.226 1.00 44.43 C ATOM 325 CG ASP A 22 11.199 -0.679 -4.664 1.00 4.45 C ATOM 326 OD1 ASP A 22 11.813 0.120 -3.924 1.00 24.13 O ATOM 327 OD2 ASP A 22 11.673 -1.115 -5.743 1.00 71.22 O ATOM 0 H ASP A 22 7.600 -1.969 -4.015 1.00 63.31 H new ATOM 0 HA ASP A 22 9.175 -0.201 -2.516 1.00 43.30 H new ATOM 0 HB2 ASP A 22 10.086 -2.124 -3.547 1.00 44.43 H new ATOM 0 HB3 ASP A 22 9.390 -1.731 -5.106 1.00 44.43 H new ATOM 332 N GLU A 23 8.229 1.129 -5.366 1.00 13.53 N ATOM 333 CA GLU A 23 8.047 2.347 -6.157 1.00 13.42 C ATOM 334 C GLU A 23 7.379 3.460 -5.366 1.00 33.02 C ATOM 335 O GLU A 23 7.636 4.650 -5.572 1.00 22.20 O ATOM 336 CB GLU A 23 7.133 2.015 -7.352 1.00 52.22 C ATOM 337 CG GLU A 23 7.767 2.357 -8.701 1.00 21.13 C ATOM 338 CD GLU A 23 7.427 3.794 -9.069 1.00 52.13 C ATOM 339 OE1 GLU A 23 6.370 4.004 -9.714 1.00 24.10 O ATOM 340 OE2 GLU A 23 8.084 4.731 -8.578 1.00 25.42 O ATOM 0 H GLU A 23 7.869 0.309 -5.854 1.00 13.53 H new ATOM 0 HA GLU A 23 9.034 2.690 -6.467 1.00 13.42 H new ATOM 0 HB2 GLU A 23 6.887 0.953 -7.331 1.00 52.22 H new ATOM 0 HB3 GLU A 23 6.195 2.561 -7.248 1.00 52.22 H new ATOM 0 HG2 GLU A 23 8.848 2.229 -8.650 1.00 21.13 H new ATOM 0 HG3 GLU A 23 7.401 1.677 -9.470 1.00 21.13 H new ATOM 347 N ILE A 24 6.469 3.069 -4.477 1.00 51.42 N ATOM 348 CA ILE A 24 5.679 4.007 -3.708 1.00 2.11 C ATOM 349 C ILE A 24 6.632 4.826 -2.807 1.00 73.42 C ATOM 350 O ILE A 24 6.382 6.003 -2.548 1.00 60.42 O ATOM 351 CB ILE A 24 4.572 3.236 -2.951 1.00 71.44 C ATOM 352 CG1 ILE A 24 3.772 2.296 -3.889 1.00 13.24 C ATOM 353 CG2 ILE A 24 3.604 4.169 -2.237 1.00 15.20 C ATOM 354 CD1 ILE A 24 2.663 1.499 -3.196 1.00 71.13 C ATOM 0 H ILE A 24 6.264 2.091 -4.275 1.00 51.42 H new ATOM 0 HA ILE A 24 5.158 4.727 -4.339 1.00 2.11 H new ATOM 0 HB ILE A 24 5.092 2.634 -2.206 1.00 71.44 H new ATOM 0 HG12 ILE A 24 3.329 2.891 -4.687 1.00 13.24 H new ATOM 0 HG13 ILE A 24 4.464 1.598 -4.359 1.00 13.24 H new ATOM 0 HG21 ILE A 24 2.846 3.581 -1.720 1.00 15.20 H new ATOM 0 HG22 ILE A 24 4.149 4.774 -1.513 1.00 15.20 H new ATOM 0 HG23 ILE A 24 3.123 4.821 -2.966 1.00 15.20 H new ATOM 0 HD11 ILE A 24 2.156 0.869 -3.927 1.00 71.13 H new ATOM 0 HD12 ILE A 24 3.097 0.873 -2.417 1.00 71.13 H new ATOM 0 HD13 ILE A 24 1.945 2.187 -2.750 1.00 71.13 H new ATOM 366 N TYR A 25 7.772 4.239 -2.425 1.00 33.33 N ATOM 367 CA TYR A 25 8.819 4.853 -1.607 1.00 20.21 C ATOM 368 C TYR A 25 10.047 5.264 -2.425 1.00 21.41 C ATOM 369 O TYR A 25 11.090 5.580 -1.838 1.00 53.14 O ATOM 370 CB TYR A 25 9.212 3.898 -0.475 1.00 71.42 C ATOM 371 CG TYR A 25 8.009 3.351 0.249 1.00 73.12 C ATOM 372 CD1 TYR A 25 7.263 4.174 1.107 1.00 52.12 C ATOM 373 CD2 TYR A 25 7.535 2.079 -0.088 1.00 74.14 C ATOM 374 CE1 TYR A 25 6.022 3.746 1.608 1.00 55.55 C ATOM 375 CE2 TYR A 25 6.283 1.665 0.377 1.00 63.12 C ATOM 376 CZ TYR A 25 5.512 2.493 1.215 1.00 11.30 C ATOM 377 OH TYR A 25 4.279 2.100 1.636 1.00 41.51 O ATOM 0 H TYR A 25 7.998 3.280 -2.691 1.00 33.33 H new ATOM 0 HA TYR A 25 8.412 5.773 -1.186 1.00 20.21 H new ATOM 0 HB2 TYR A 25 9.795 3.073 -0.884 1.00 71.42 H new ATOM 0 HB3 TYR A 25 9.854 4.421 0.234 1.00 71.42 H new ATOM 0 HD1 TYR A 25 7.646 5.145 1.385 1.00 52.12 H new ATOM 0 HD2 TYR A 25 8.132 1.421 -0.703 1.00 74.14 H new ATOM 0 HE1 TYR A 25 5.464 4.372 2.288 1.00 55.55 H new ATOM 0 HE2 TYR A 25 5.902 0.696 0.089 1.00 63.12 H new ATOM 0 HH TYR A 25 4.078 1.212 1.275 1.00 41.51 H new ATOM 387 N VAL A 26 9.953 5.285 -3.757 1.00 73.21 N ATOM 388 CA VAL A 26 11.001 5.784 -4.651 1.00 30.42 C ATOM 389 C VAL A 26 10.540 7.083 -5.322 1.00 25.43 C ATOM 390 O VAL A 26 11.345 7.980 -5.552 1.00 64.25 O ATOM 391 CB VAL A 26 11.369 4.696 -5.686 1.00 34.44 C ATOM 392 CG1 VAL A 26 12.465 5.160 -6.650 1.00 45.14 C ATOM 393 CG2 VAL A 26 11.887 3.421 -5.011 1.00 32.15 C ATOM 0 H VAL A 26 9.129 4.948 -4.255 1.00 73.21 H new ATOM 0 HA VAL A 26 11.899 6.011 -4.077 1.00 30.42 H new ATOM 0 HB VAL A 26 10.445 4.498 -6.230 1.00 34.44 H new ATOM 0 HG11 VAL A 26 12.689 4.362 -7.358 1.00 45.14 H new ATOM 0 HG12 VAL A 26 12.123 6.041 -7.193 1.00 45.14 H new ATOM 0 HG13 VAL A 26 13.364 5.408 -6.086 1.00 45.14 H new ATOM 0 HG21 VAL A 26 12.135 2.681 -5.772 1.00 32.15 H new ATOM 0 HG22 VAL A 26 12.778 3.654 -4.428 1.00 32.15 H new ATOM 0 HG23 VAL A 26 11.117 3.020 -4.352 1.00 32.15 H new ATOM 403 N ALA A 27 9.255 7.209 -5.660 1.00 70.42 N ATOM 404 CA ALA A 27 8.714 8.341 -6.410 1.00 65.24 C ATOM 405 C ALA A 27 8.516 9.590 -5.547 1.00 74.15 C ATOM 406 O ALA A 27 7.843 10.521 -5.976 1.00 33.11 O ATOM 407 CB ALA A 27 7.395 7.906 -7.048 1.00 3.10 C ATOM 0 H ALA A 27 8.550 6.514 -5.415 1.00 70.42 H new ATOM 0 HA ALA A 27 9.437 8.623 -7.176 1.00 65.24 H new ATOM 0 HB1 ALA A 27 6.973 8.737 -7.614 1.00 3.10 H new ATOM 0 HB2 ALA A 27 7.575 7.065 -7.718 1.00 3.10 H new ATOM 0 HB3 ALA A 27 6.695 7.605 -6.268 1.00 3.10 H new ATOM 413 N GLY A 28 9.014 9.601 -4.312 1.00 1.30 N ATOM 414 CA GLY A 28 8.858 10.723 -3.411 1.00 4.31 C ATOM 415 C GLY A 28 7.425 10.901 -2.917 1.00 64.35 C ATOM 416 O GLY A 28 7.119 11.943 -2.334 1.00 61.03 O ATOM 0 H GLY A 28 9.539 8.823 -3.913 1.00 1.30 H new ATOM 0 HA2 GLY A 28 9.517 10.587 -2.554 1.00 4.31 H new ATOM 0 HA3 GLY A 28 9.177 11.634 -3.917 1.00 4.31 H new ATOM 420 N LEU A 29 6.543 9.922 -3.149 1.00 20.03 N ATOM 421 CA LEU A 29 5.158 9.971 -2.703 1.00 4.30 C ATOM 422 C LEU A 29 5.149 9.932 -1.187 1.00 32.33 C ATOM 423 O LEU A 29 4.751 10.910 -0.551 1.00 61.45 O ATOM 424 CB LEU A 29 4.323 8.818 -3.292 1.00 52.43 C ATOM 425 CG LEU A 29 4.085 8.969 -4.805 1.00 50.11 C ATOM 426 CD1 LEU A 29 3.437 7.690 -5.324 1.00 13.42 C ATOM 427 CD2 LEU A 29 3.179 10.155 -5.156 1.00 22.12 C ATOM 0 H LEU A 29 6.779 9.069 -3.656 1.00 20.03 H new ATOM 0 HA LEU A 29 4.698 10.893 -3.058 1.00 4.30 H new ATOM 0 HB2 LEU A 29 4.831 7.873 -3.101 1.00 52.43 H new ATOM 0 HB3 LEU A 29 3.362 8.773 -2.780 1.00 52.43 H new ATOM 0 HG LEU A 29 5.053 9.153 -5.270 1.00 50.11 H new ATOM 0 HD11 LEU A 29 3.261 7.780 -6.396 1.00 13.42 H new ATOM 0 HD12 LEU A 29 4.098 6.844 -5.135 1.00 13.42 H new ATOM 0 HD13 LEU A 29 2.488 7.530 -4.813 1.00 13.42 H new ATOM 0 HD21 LEU A 29 3.050 10.207 -6.237 1.00 22.12 H new ATOM 0 HD22 LEU A 29 2.207 10.023 -4.681 1.00 22.12 H new ATOM 0 HD23 LEU A 29 3.635 11.079 -4.800 1.00 22.12 H new ATOM 439 N VAL A 30 5.583 8.814 -0.610 1.00 3.20 N ATOM 440 CA VAL A 30 5.493 8.610 0.836 1.00 2.53 C ATOM 441 C VAL A 30 6.793 8.027 1.395 1.00 22.42 C ATOM 442 O VAL A 30 7.619 7.497 0.649 1.00 54.53 O ATOM 443 CB VAL A 30 4.256 7.744 1.148 1.00 20.10 C ATOM 444 CG1 VAL A 30 2.950 8.447 0.761 1.00 15.43 C ATOM 445 CG2 VAL A 30 4.267 6.438 0.360 1.00 75.42 C ATOM 0 H VAL A 30 6.000 8.035 -1.120 1.00 3.20 H new ATOM 0 HA VAL A 30 5.363 9.569 1.338 1.00 2.53 H new ATOM 0 HB VAL A 30 4.303 7.563 2.222 1.00 20.10 H new ATOM 0 HG11 VAL A 30 2.105 7.801 0.998 1.00 15.43 H new ATOM 0 HG12 VAL A 30 2.861 9.380 1.317 1.00 15.43 H new ATOM 0 HG13 VAL A 30 2.955 8.660 -0.308 1.00 15.43 H new ATOM 0 HG21 VAL A 30 3.379 5.856 0.608 1.00 75.42 H new ATOM 0 HG22 VAL A 30 4.271 6.657 -0.708 1.00 75.42 H new ATOM 0 HG23 VAL A 30 5.159 5.866 0.616 1.00 75.42 H new ATOM 455 N ALA A 31 6.966 8.099 2.718 1.00 64.41 N ATOM 456 CA ALA A 31 8.091 7.506 3.431 1.00 75.41 C ATOM 457 C ALA A 31 7.754 6.076 3.857 1.00 42.31 C ATOM 458 O ALA A 31 6.587 5.748 4.091 1.00 54.24 O ATOM 459 CB ALA A 31 8.388 8.357 4.666 1.00 62.33 C ATOM 0 H ALA A 31 6.311 8.583 3.333 1.00 64.41 H new ATOM 0 HA ALA A 31 8.963 7.475 2.778 1.00 75.41 H new ATOM 0 HB1 ALA A 31 9.228 7.926 5.211 1.00 62.33 H new ATOM 0 HB2 ALA A 31 8.638 9.372 4.357 1.00 62.33 H new ATOM 0 HB3 ALA A 31 7.510 8.380 5.312 1.00 62.33 H new ATOM 465 N HIS A 32 8.766 5.225 4.052 1.00 34.00 N ATOM 466 CA HIS A 32 8.518 3.854 4.501 1.00 21.01 C ATOM 467 C HIS A 32 7.870 3.807 5.897 1.00 34.03 C ATOM 468 O HIS A 32 7.107 2.882 6.167 1.00 60.24 O ATOM 469 CB HIS A 32 9.789 3.005 4.419 1.00 0.33 C ATOM 470 CG HIS A 32 10.780 3.292 5.516 1.00 60.23 C ATOM 471 ND1 HIS A 32 10.914 2.573 6.679 1.00 31.23 N ATOM 472 CD2 HIS A 32 11.672 4.328 5.559 1.00 63.34 C ATOM 473 CE1 HIS A 32 11.873 3.164 7.410 1.00 22.02 C ATOM 474 NE2 HIS A 32 12.380 4.236 6.763 1.00 32.03 N ATOM 0 H HIS A 32 9.749 5.457 3.909 1.00 34.00 H new ATOM 0 HA HIS A 32 7.793 3.414 3.817 1.00 21.01 H new ATOM 0 HB2 HIS A 32 9.514 1.951 4.456 1.00 0.33 H new ATOM 0 HB3 HIS A 32 10.268 3.176 3.455 1.00 0.33 H new ATOM 0 HD2 HIS A 32 11.806 5.083 4.799 1.00 63.34 H new ATOM 0 HE1 HIS A 32 12.196 2.827 8.384 1.00 22.02 H new ATOM 0 HE2 HIS A 32 13.126 4.852 7.086 1.00 32.03 H new ATOM 482 N SER A 33 8.033 4.840 6.730 1.00 31.11 N ATOM 483 CA SER A 33 7.373 4.954 8.033 1.00 73.32 C ATOM 484 C SER A 33 6.140 5.880 8.026 1.00 61.23 C ATOM 485 O SER A 33 5.672 6.283 9.091 1.00 51.32 O ATOM 486 CB SER A 33 8.395 5.348 9.089 1.00 12.24 C ATOM 487 OG SER A 33 9.363 4.330 9.243 1.00 2.30 O ATOM 0 H SER A 33 8.637 5.633 6.514 1.00 31.11 H new ATOM 0 HA SER A 33 6.968 3.973 8.284 1.00 73.32 H new ATOM 0 HB2 SER A 33 8.881 6.281 8.803 1.00 12.24 H new ATOM 0 HB3 SER A 33 7.894 5.528 10.040 1.00 12.24 H new ATOM 0 HG SER A 33 10.014 4.598 9.924 1.00 2.30 H new ATOM 493 N ASP A 34 5.618 6.279 6.856 1.00 4.41 N ATOM 494 CA ASP A 34 4.446 7.166 6.790 1.00 75.44 C ATOM 495 C ASP A 34 3.150 6.458 7.191 1.00 71.35 C ATOM 496 O ASP A 34 2.189 7.106 7.614 1.00 4.53 O ATOM 497 CB ASP A 34 4.259 7.773 5.386 1.00 15.41 C ATOM 498 CG ASP A 34 4.008 9.282 5.421 1.00 41.44 C ATOM 499 OD1 ASP A 34 3.463 9.815 6.421 1.00 63.45 O ATOM 500 OD2 ASP A 34 4.441 9.971 4.474 1.00 13.11 O ATOM 0 H ASP A 34 5.987 6.003 5.946 1.00 4.41 H new ATOM 0 HA ASP A 34 4.650 7.962 7.506 1.00 75.44 H new ATOM 0 HB2 ASP A 34 5.147 7.571 4.787 1.00 15.41 H new ATOM 0 HB3 ASP A 34 3.421 7.281 4.891 1.00 15.41 H new ATOM 505 N LEU A 35 3.087 5.135 7.021 1.00 71.35 N ATOM 506 CA LEU A 35 1.929 4.333 7.394 1.00 23.03 C ATOM 507 C LEU A 35 1.880 4.121 8.899 1.00 12.14 C ATOM 508 O LEU A 35 2.902 4.163 9.581 1.00 44.21 O ATOM 509 CB LEU A 35 1.944 2.980 6.660 1.00 54.32 C ATOM 510 CG LEU A 35 1.642 3.075 5.151 1.00 0.20 C ATOM 511 CD1 LEU A 35 1.494 1.669 4.558 1.00 61.05 C ATOM 512 CD2 LEU A 35 0.400 3.922 4.855 1.00 55.13 C ATOM 0 H LEU A 35 3.848 4.589 6.616 1.00 71.35 H new ATOM 0 HA LEU A 35 1.032 4.876 7.096 1.00 23.03 H new ATOM 0 HB2 LEU A 35 2.922 2.517 6.795 1.00 54.32 H new ATOM 0 HB3 LEU A 35 1.212 2.319 7.125 1.00 54.32 H new ATOM 0 HG LEU A 35 2.485 3.580 4.679 1.00 0.20 H new ATOM 0 HD11 LEU A 35 1.281 1.744 3.492 1.00 61.05 H new ATOM 0 HD12 LEU A 35 2.420 1.113 4.704 1.00 61.05 H new ATOM 0 HD13 LEU A 35 0.676 1.148 5.056 1.00 61.05 H new ATOM 0 HD21 LEU A 35 0.231 3.957 3.779 1.00 55.13 H new ATOM 0 HD22 LEU A 35 -0.468 3.479 5.344 1.00 55.13 H new ATOM 0 HD23 LEU A 35 0.551 4.934 5.232 1.00 55.13 H new ATOM 524 N ASP A 36 0.686 3.849 9.406 1.00 31.12 N ATOM 525 CA ASP A 36 0.415 3.441 10.777 1.00 51.41 C ATOM 526 C ASP A 36 -0.020 1.984 10.783 1.00 52.12 C ATOM 527 O ASP A 36 -0.219 1.375 9.725 1.00 40.23 O ATOM 528 CB ASP A 36 -0.667 4.321 11.404 1.00 3.31 C ATOM 529 CG ASP A 36 -2.053 4.090 10.800 1.00 44.23 C ATOM 530 OD1 ASP A 36 -2.207 4.283 9.571 1.00 61.33 O ATOM 531 OD2 ASP A 36 -3.012 3.741 11.526 1.00 73.03 O ATOM 0 H ASP A 36 -0.163 3.910 8.844 1.00 31.12 H new ATOM 0 HA ASP A 36 1.322 3.556 11.370 1.00 51.41 H new ATOM 0 HB2 ASP A 36 -0.708 4.128 12.476 1.00 3.31 H new ATOM 0 HB3 ASP A 36 -0.393 5.368 11.279 1.00 3.31 H new ATOM 536 N GLU A 37 -0.175 1.432 11.983 1.00 75.31 N ATOM 537 CA GLU A 37 -0.271 -0.010 12.182 1.00 35.30 C ATOM 538 C GLU A 37 -1.462 -0.596 11.429 1.00 3.22 C ATOM 539 O GLU A 37 -1.387 -1.703 10.896 1.00 32.41 O ATOM 540 CB GLU A 37 -0.403 -0.330 13.678 1.00 14.32 C ATOM 541 CG GLU A 37 0.065 -1.754 13.998 1.00 55.54 C ATOM 542 CD GLU A 37 1.578 -1.811 14.208 1.00 11.41 C ATOM 543 OE1 GLU A 37 2.348 -1.195 13.432 1.00 71.05 O ATOM 544 OE2 GLU A 37 2.015 -2.439 15.204 1.00 52.43 O ATOM 0 H GLU A 37 -0.238 1.973 12.846 1.00 75.31 H new ATOM 0 HA GLU A 37 0.641 -0.461 11.790 1.00 35.30 H new ATOM 0 HB2 GLU A 37 0.184 0.384 14.256 1.00 14.32 H new ATOM 0 HB3 GLU A 37 -1.442 -0.211 13.985 1.00 14.32 H new ATOM 0 HG2 GLU A 37 -0.442 -2.112 14.894 1.00 55.54 H new ATOM 0 HG3 GLU A 37 -0.216 -2.422 13.184 1.00 55.54 H new ATOM 551 N ARG A 38 -2.563 0.155 11.360 1.00 54.23 N ATOM 552 CA ARG A 38 -3.787 -0.324 10.737 1.00 72.43 C ATOM 553 C ARG A 38 -3.617 -0.540 9.235 1.00 4.42 C ATOM 554 O ARG A 38 -4.402 -1.292 8.657 1.00 35.31 O ATOM 555 CB ARG A 38 -4.950 0.625 11.050 1.00 75.31 C ATOM 556 CG ARG A 38 -5.160 0.831 12.557 1.00 42.34 C ATOM 557 CD ARG A 38 -6.627 1.068 12.909 1.00 12.21 C ATOM 558 NE ARG A 38 -7.398 -0.162 12.683 1.00 1.33 N ATOM 559 CZ ARG A 38 -8.354 -0.401 11.785 1.00 3.13 C ATOM 560 NH1 ARG A 38 -8.849 0.538 10.984 1.00 3.14 N ATOM 561 NH2 ARG A 38 -8.773 -1.648 11.652 1.00 13.33 N ATOM 0 H ARG A 38 -2.626 1.103 11.732 1.00 54.23 H new ATOM 0 HA ARG A 38 -4.022 -1.300 11.162 1.00 72.43 H new ATOM 0 HB2 ARG A 38 -4.763 1.590 10.579 1.00 75.31 H new ATOM 0 HB3 ARG A 38 -5.865 0.228 10.611 1.00 75.31 H new ATOM 0 HG2 ARG A 38 -4.796 -0.044 13.096 1.00 42.34 H new ATOM 0 HG3 ARG A 38 -4.566 1.681 12.892 1.00 42.34 H new ATOM 0 HD2 ARG A 38 -6.715 1.377 13.951 1.00 12.21 H new ATOM 0 HD3 ARG A 38 -7.030 1.878 12.301 1.00 12.21 H new ATOM 0 HE ARG A 38 -7.170 -0.942 13.299 1.00 1.33 H new ATOM 0 HH11 ARG A 38 -8.497 1.494 11.040 1.00 3.14 H new ATOM 0 HH12 ARG A 38 -9.581 0.303 10.313 1.00 3.14 H new ATOM 0 HH21 ARG A 38 -8.366 -2.387 12.226 1.00 13.33 H new ATOM 0 HH22 ARG A 38 -9.503 -1.871 10.976 1.00 13.33 H new ATOM 575 N ALA A 39 -2.621 0.076 8.595 1.00 61.23 N ATOM 576 CA ALA A 39 -2.346 -0.123 7.181 1.00 4.14 C ATOM 577 C ALA A 39 -1.415 -1.317 6.972 1.00 52.41 C ATOM 578 O ALA A 39 -1.576 -2.032 5.985 1.00 72.44 O ATOM 579 CB ALA A 39 -1.735 1.144 6.588 1.00 22.04 C ATOM 0 H ALA A 39 -1.983 0.729 9.050 1.00 61.23 H new ATOM 0 HA ALA A 39 -3.285 -0.335 6.669 1.00 4.14 H new ATOM 0 HB1 ALA A 39 -1.531 0.988 5.529 1.00 22.04 H new ATOM 0 HB2 ALA A 39 -2.432 1.974 6.705 1.00 22.04 H new ATOM 0 HB3 ALA A 39 -0.804 1.376 7.106 1.00 22.04 H new ATOM 585 N ILE A 40 -0.468 -1.559 7.884 1.00 2.34 N ATOM 586 CA ILE A 40 0.382 -2.749 7.828 1.00 41.35 C ATOM 587 C ILE A 40 -0.494 -3.980 8.085 1.00 35.31 C ATOM 588 O ILE A 40 -0.337 -5.016 7.437 1.00 72.04 O ATOM 589 CB ILE A 40 1.561 -2.651 8.827 1.00 53.44 C ATOM 590 CG1 ILE A 40 2.292 -1.286 8.800 1.00 20.23 C ATOM 591 CG2 ILE A 40 2.571 -3.788 8.573 1.00 41.30 C ATOM 592 CD1 ILE A 40 2.765 -0.806 7.420 1.00 71.25 C ATOM 0 H ILE A 40 -0.272 -0.943 8.673 1.00 2.34 H new ATOM 0 HA ILE A 40 0.836 -2.834 6.841 1.00 41.35 H new ATOM 0 HB ILE A 40 1.122 -2.748 9.820 1.00 53.44 H new ATOM 0 HG12 ILE A 40 1.626 -0.531 9.217 1.00 20.23 H new ATOM 0 HG13 ILE A 40 3.158 -1.346 9.459 1.00 20.23 H new ATOM 0 HG21 ILE A 40 3.395 -3.708 9.282 1.00 41.30 H new ATOM 0 HG22 ILE A 40 2.075 -4.750 8.700 1.00 41.30 H new ATOM 0 HG23 ILE A 40 2.958 -3.711 7.557 1.00 41.30 H new ATOM 0 HD11 ILE A 40 3.263 0.159 7.521 1.00 71.25 H new ATOM 0 HD12 ILE A 40 3.462 -1.532 7.002 1.00 71.25 H new ATOM 0 HD13 ILE A 40 1.906 -0.703 6.756 1.00 71.25 H new ATOM 604 N GLU A 41 -1.453 -3.873 9.006 1.00 51.55 N ATOM 605 CA GLU A 41 -2.457 -4.896 9.239 1.00 54.31 C ATOM 606 C GLU A 41 -3.305 -5.109 7.984 1.00 60.34 C ATOM 607 O GLU A 41 -3.525 -6.250 7.584 1.00 62.04 O ATOM 608 CB GLU A 41 -3.302 -4.508 10.463 1.00 62.43 C ATOM 609 CG GLU A 41 -4.264 -5.650 10.809 1.00 12.44 C ATOM 610 CD GLU A 41 -4.859 -5.582 12.217 1.00 74.32 C ATOM 611 OE1 GLU A 41 -4.764 -4.543 12.915 1.00 40.21 O ATOM 612 OE2 GLU A 41 -5.432 -6.616 12.635 1.00 54.54 O ATOM 0 H GLU A 41 -1.550 -3.061 9.615 1.00 51.55 H new ATOM 0 HA GLU A 41 -1.975 -5.850 9.454 1.00 54.31 H new ATOM 0 HB2 GLU A 41 -2.653 -4.296 11.313 1.00 62.43 H new ATOM 0 HB3 GLU A 41 -3.863 -3.597 10.256 1.00 62.43 H new ATOM 0 HG2 GLU A 41 -5.079 -5.652 10.085 1.00 12.44 H new ATOM 0 HG3 GLU A 41 -3.736 -6.597 10.698 1.00 12.44 H new ATOM 619 N ALA A 42 -3.753 -4.024 7.341 1.00 62.34 N ATOM 620 CA ALA A 42 -4.561 -4.126 6.136 1.00 64.03 C ATOM 621 C ALA A 42 -3.812 -4.858 5.019 1.00 52.14 C ATOM 622 O ALA A 42 -4.405 -5.700 4.350 1.00 54.22 O ATOM 623 CB ALA A 42 -5.021 -2.743 5.671 1.00 0.51 C ATOM 0 H ALA A 42 -3.565 -3.067 7.641 1.00 62.34 H new ATOM 0 HA ALA A 42 -5.445 -4.715 6.379 1.00 64.03 H new ATOM 0 HB1 ALA A 42 -5.624 -2.844 4.768 1.00 0.51 H new ATOM 0 HB2 ALA A 42 -5.617 -2.275 6.455 1.00 0.51 H new ATOM 0 HB3 ALA A 42 -4.150 -2.123 5.458 1.00 0.51 H new ATOM 629 N LEU A 43 -2.525 -4.559 4.822 1.00 64.01 N ATOM 630 CA LEU A 43 -1.689 -5.182 3.797 1.00 23.34 C ATOM 631 C LEU A 43 -1.678 -6.704 3.934 1.00 61.25 C ATOM 632 O LEU A 43 -1.929 -7.411 2.956 1.00 20.24 O ATOM 633 CB LEU A 43 -0.260 -4.612 3.862 1.00 3.43 C ATOM 634 CG LEU A 43 -0.093 -3.347 3.015 1.00 55.35 C ATOM 635 CD1 LEU A 43 1.165 -2.567 3.410 1.00 72.41 C ATOM 636 CD2 LEU A 43 -0.028 -3.695 1.519 1.00 74.41 C ATOM 0 H LEU A 43 -2.028 -3.865 5.381 1.00 64.01 H new ATOM 0 HA LEU A 43 -2.115 -4.948 2.821 1.00 23.34 H new ATOM 0 HB2 LEU A 43 -0.009 -4.387 4.899 1.00 3.43 H new ATOM 0 HB3 LEU A 43 0.446 -5.369 3.521 1.00 3.43 H new ATOM 0 HG LEU A 43 -0.964 -2.720 3.202 1.00 55.35 H new ATOM 0 HD11 LEU A 43 1.251 -1.676 2.788 1.00 72.41 H new ATOM 0 HD12 LEU A 43 1.097 -2.273 4.457 1.00 72.41 H new ATOM 0 HD13 LEU A 43 2.043 -3.196 3.266 1.00 72.41 H new ATOM 0 HD21 LEU A 43 0.091 -2.781 0.938 1.00 74.41 H new ATOM 0 HD22 LEU A 43 0.820 -4.355 1.335 1.00 74.41 H new ATOM 0 HD23 LEU A 43 -0.949 -4.197 1.222 1.00 74.41 H new ATOM 648 N LYS A 44 -1.439 -7.205 5.149 1.00 72.12 N ATOM 649 CA LYS A 44 -1.407 -8.624 5.498 1.00 41.53 C ATOM 650 C LYS A 44 -2.667 -9.398 5.078 1.00 51.42 C ATOM 651 O LYS A 44 -2.612 -10.627 5.028 1.00 11.34 O ATOM 652 CB LYS A 44 -1.193 -8.728 7.027 1.00 14.21 C ATOM 653 CG LYS A 44 -0.001 -9.590 7.470 1.00 20.44 C ATOM 654 CD LYS A 44 1.376 -9.049 7.035 1.00 54.14 C ATOM 655 CE LYS A 44 2.353 -8.748 8.180 1.00 15.35 C ATOM 656 NZ LYS A 44 2.598 -9.859 9.124 1.00 52.40 N ATOM 0 H LYS A 44 -1.254 -6.603 5.951 1.00 72.12 H new ATOM 0 HA LYS A 44 -0.590 -9.089 4.945 1.00 41.53 H new ATOM 0 HB2 LYS A 44 -1.061 -7.723 7.427 1.00 14.21 H new ATOM 0 HB3 LYS A 44 -2.099 -9.133 7.477 1.00 14.21 H new ATOM 0 HG2 LYS A 44 -0.016 -9.678 8.556 1.00 20.44 H new ATOM 0 HG3 LYS A 44 -0.126 -10.595 7.067 1.00 20.44 H new ATOM 0 HD2 LYS A 44 1.838 -9.775 6.366 1.00 54.14 H new ATOM 0 HD3 LYS A 44 1.224 -8.136 6.459 1.00 54.14 H new ATOM 0 HE2 LYS A 44 3.307 -8.445 7.748 1.00 15.35 H new ATOM 0 HE3 LYS A 44 1.973 -7.895 8.742 1.00 15.35 H new ATOM 0 HZ1 LYS A 44 3.442 -9.650 9.694 1.00 52.40 H new ATOM 0 HZ2 LYS A 44 1.775 -9.970 9.751 1.00 52.40 H new ATOM 0 HZ3 LYS A 44 2.749 -10.740 8.592 1.00 52.40 H new ATOM 670 N GLU A 45 -3.802 -8.743 4.819 1.00 63.13 N ATOM 671 CA GLU A 45 -5.082 -9.419 4.613 1.00 3.11 C ATOM 672 C GLU A 45 -5.341 -9.844 3.169 1.00 14.13 C ATOM 673 O GLU A 45 -6.205 -10.692 2.936 1.00 75.31 O ATOM 674 CB GLU A 45 -6.216 -8.499 5.089 1.00 40.52 C ATOM 675 CG GLU A 45 -6.326 -8.431 6.622 1.00 0.11 C ATOM 676 CD GLU A 45 -7.560 -9.179 7.129 1.00 41.25 C ATOM 677 OE1 GLU A 45 -7.806 -10.326 6.693 1.00 13.52 O ATOM 678 OE2 GLU A 45 -8.335 -8.596 7.920 1.00 55.35 O ATOM 0 H GLU A 45 -3.857 -7.727 4.746 1.00 63.13 H new ATOM 0 HA GLU A 45 -5.044 -10.340 5.195 1.00 3.11 H new ATOM 0 HB2 GLU A 45 -6.052 -7.495 4.696 1.00 40.52 H new ATOM 0 HB3 GLU A 45 -7.161 -8.852 4.677 1.00 40.52 H new ATOM 0 HG2 GLU A 45 -5.430 -8.859 7.071 1.00 0.11 H new ATOM 0 HG3 GLU A 45 -6.375 -7.389 6.938 1.00 0.11 H new ATOM 685 N PHE A 46 -4.659 -9.245 2.200 1.00 13.41 N ATOM 686 CA PHE A 46 -5.002 -9.325 0.796 1.00 51.41 C ATOM 687 C PHE A 46 -4.312 -10.507 0.129 1.00 1.51 C ATOM 688 O PHE A 46 -3.224 -10.940 0.523 1.00 35.23 O ATOM 689 CB PHE A 46 -4.617 -8.021 0.095 1.00 0.24 C ATOM 690 CG PHE A 46 -5.510 -6.834 0.401 1.00 61.22 C ATOM 691 CD1 PHE A 46 -6.793 -6.750 -0.171 1.00 71.05 C ATOM 692 CD2 PHE A 46 -5.064 -5.803 1.245 1.00 24.14 C ATOM 693 CE1 PHE A 46 -7.631 -5.660 0.118 1.00 61.14 C ATOM 694 CE2 PHE A 46 -5.908 -4.722 1.544 1.00 43.34 C ATOM 695 CZ PHE A 46 -7.191 -4.640 0.977 1.00 62.32 C ATOM 0 H PHE A 46 -3.831 -8.677 2.380 1.00 13.41 H new ATOM 0 HA PHE A 46 -6.078 -9.475 0.712 1.00 51.41 H new ATOM 0 HB2 PHE A 46 -3.594 -7.767 0.373 1.00 0.24 H new ATOM 0 HB3 PHE A 46 -4.622 -8.191 -0.982 1.00 0.24 H new ATOM 0 HD1 PHE A 46 -7.136 -7.529 -0.836 1.00 71.05 H new ATOM 0 HD2 PHE A 46 -4.070 -5.842 1.665 1.00 24.14 H new ATOM 0 HE1 PHE A 46 -8.616 -5.606 -0.322 1.00 61.14 H new ATOM 0 HE2 PHE A 46 -5.568 -3.947 2.215 1.00 43.34 H new ATOM 0 HZ PHE A 46 -7.833 -3.800 1.200 1.00 62.32 H new ATOM 705 N ASN A 47 -4.960 -11.003 -0.919 1.00 34.22 N ATOM 706 CA ASN A 47 -4.367 -11.913 -1.908 1.00 41.50 C ATOM 707 C ASN A 47 -3.416 -11.152 -2.825 1.00 40.40 C ATOM 708 O ASN A 47 -3.152 -9.970 -2.612 1.00 74.01 O ATOM 709 CB ASN A 47 -5.416 -12.671 -2.738 1.00 24.32 C ATOM 710 CG ASN A 47 -6.064 -11.873 -3.862 1.00 4.41 C ATOM 711 OD1 ASN A 47 -5.549 -11.821 -4.972 1.00 53.22 O ATOM 712 ND2 ASN A 47 -7.192 -11.242 -3.629 1.00 51.14 N ATOM 0 H ASN A 47 -5.936 -10.782 -1.114 1.00 34.22 H new ATOM 0 HA ASN A 47 -3.812 -12.664 -1.346 1.00 41.50 H new ATOM 0 HB2 ASN A 47 -4.944 -13.554 -3.168 1.00 24.32 H new ATOM 0 HB3 ASN A 47 -6.200 -13.023 -2.067 1.00 24.32 H new ATOM 0 HD21 ASN A 47 -7.641 -10.708 -4.373 1.00 51.14 H new ATOM 0 HD22 ASN A 47 -7.620 -11.286 -2.704 1.00 51.14 H new ATOM 719 N GLU A 48 -2.874 -11.832 -3.831 1.00 73.12 N ATOM 720 CA GLU A 48 -1.997 -11.266 -4.827 1.00 75.03 C ATOM 721 C GLU A 48 -2.611 -10.035 -5.503 1.00 43.52 C ATOM 722 O GLU A 48 -2.122 -8.921 -5.320 1.00 24.12 O ATOM 723 CB GLU A 48 -1.652 -12.355 -5.855 1.00 32.25 C ATOM 724 CG GLU A 48 -0.328 -11.977 -6.491 1.00 51.34 C ATOM 725 CD GLU A 48 -0.104 -12.629 -7.854 1.00 3.15 C ATOM 726 OE1 GLU A 48 -0.070 -13.877 -7.917 1.00 45.42 O ATOM 727 OE2 GLU A 48 0.072 -11.894 -8.857 1.00 14.01 O ATOM 0 H GLU A 48 -3.045 -12.828 -3.972 1.00 73.12 H new ATOM 0 HA GLU A 48 -1.086 -10.920 -4.339 1.00 75.03 H new ATOM 0 HB2 GLU A 48 -1.581 -13.330 -5.372 1.00 32.25 H new ATOM 0 HB3 GLU A 48 -2.433 -12.430 -6.611 1.00 32.25 H new ATOM 0 HG2 GLU A 48 -0.283 -10.894 -6.602 1.00 51.34 H new ATOM 0 HG3 GLU A 48 0.483 -12.263 -5.822 1.00 51.34 H new ATOM 734 N ASP A 49 -3.672 -10.233 -6.287 1.00 21.42 N ATOM 735 CA ASP A 49 -4.268 -9.171 -7.087 1.00 4.40 C ATOM 736 C ASP A 49 -4.995 -8.207 -6.169 1.00 14.33 C ATOM 737 O ASP A 49 -4.947 -7.003 -6.388 1.00 73.41 O ATOM 738 CB ASP A 49 -5.235 -9.713 -8.132 1.00 61.24 C ATOM 739 CG ASP A 49 -5.800 -8.569 -8.976 1.00 42.33 C ATOM 740 OD1 ASP A 49 -5.204 -8.253 -10.032 1.00 71.13 O ATOM 741 OD2 ASP A 49 -6.885 -8.038 -8.657 1.00 32.43 O ATOM 0 H ASP A 49 -4.139 -11.135 -6.383 1.00 21.42 H new ATOM 0 HA ASP A 49 -3.466 -8.660 -7.620 1.00 4.40 H new ATOM 0 HB2 ASP A 49 -4.723 -10.429 -8.774 1.00 61.24 H new ATOM 0 HB3 ASP A 49 -6.048 -10.249 -7.642 1.00 61.24 H new ATOM 746 N GLY A 50 -5.602 -8.729 -5.098 1.00 61.34 N ATOM 747 CA GLY A 50 -6.243 -7.923 -4.080 1.00 75.12 C ATOM 748 C GLY A 50 -5.279 -6.874 -3.527 1.00 22.30 C ATOM 749 O GLY A 50 -5.646 -5.705 -3.394 1.00 60.35 O ATOM 0 H GLY A 50 -5.657 -9.732 -4.921 1.00 61.34 H new ATOM 0 HA2 GLY A 50 -7.121 -7.431 -4.499 1.00 75.12 H new ATOM 0 HA3 GLY A 50 -6.593 -8.564 -3.270 1.00 75.12 H new ATOM 753 N ALA A 51 -4.046 -7.278 -3.210 1.00 63.44 N ATOM 754 CA ALA A 51 -3.017 -6.376 -2.728 1.00 61.34 C ATOM 755 C ALA A 51 -2.618 -5.413 -3.838 1.00 15.52 C ATOM 756 O ALA A 51 -2.619 -4.207 -3.594 1.00 2.24 O ATOM 757 CB ALA A 51 -1.807 -7.160 -2.217 1.00 75.33 C ATOM 0 H ALA A 51 -3.740 -8.248 -3.284 1.00 63.44 H new ATOM 0 HA ALA A 51 -3.412 -5.799 -1.892 1.00 61.34 H new ATOM 0 HB1 ALA A 51 -1.047 -6.465 -1.860 1.00 75.33 H new ATOM 0 HB2 ALA A 51 -2.115 -7.812 -1.400 1.00 75.33 H new ATOM 0 HB3 ALA A 51 -1.396 -7.763 -3.027 1.00 75.33 H new ATOM 763 N LEU A 52 -2.287 -5.930 -5.026 1.00 64.14 N ATOM 764 CA LEU A 52 -1.850 -5.133 -6.172 1.00 74.41 C ATOM 765 C LEU A 52 -2.854 -4.036 -6.504 1.00 14.51 C ATOM 766 O LEU A 52 -2.442 -2.910 -6.753 1.00 65.44 O ATOM 767 CB LEU A 52 -1.650 -6.023 -7.417 1.00 65.25 C ATOM 768 CG LEU A 52 -0.207 -6.436 -7.748 1.00 10.33 C ATOM 769 CD1 LEU A 52 0.740 -5.239 -7.824 1.00 74.12 C ATOM 770 CD2 LEU A 52 0.375 -7.454 -6.769 1.00 12.12 C ATOM 0 H LEU A 52 -2.317 -6.931 -5.219 1.00 64.14 H new ATOM 0 HA LEU A 52 -0.901 -4.673 -5.896 1.00 74.41 H new ATOM 0 HB2 LEU A 52 -2.241 -6.929 -7.285 1.00 65.25 H new ATOM 0 HB3 LEU A 52 -2.060 -5.498 -8.280 1.00 65.25 H new ATOM 0 HG LEU A 52 -0.282 -6.905 -8.729 1.00 10.33 H new ATOM 0 HD11 LEU A 52 1.746 -5.585 -8.060 1.00 74.12 H new ATOM 0 HD12 LEU A 52 0.400 -4.555 -8.601 1.00 74.12 H new ATOM 0 HD13 LEU A 52 0.750 -4.722 -6.865 1.00 74.12 H new ATOM 0 HD21 LEU A 52 1.395 -7.700 -7.063 1.00 12.12 H new ATOM 0 HD22 LEU A 52 0.379 -7.031 -5.764 1.00 12.12 H new ATOM 0 HD23 LEU A 52 -0.234 -8.358 -6.780 1.00 12.12 H new ATOM 782 N ALA A 53 -4.152 -4.333 -6.498 1.00 31.43 N ATOM 783 CA ALA A 53 -5.210 -3.401 -6.855 1.00 62.43 C ATOM 784 C ALA A 53 -5.172 -2.159 -5.962 1.00 34.11 C ATOM 785 O ALA A 53 -5.256 -1.037 -6.455 1.00 70.01 O ATOM 786 CB ALA A 53 -6.552 -4.125 -6.746 1.00 41.23 C ATOM 0 H ALA A 53 -4.502 -5.255 -6.237 1.00 31.43 H new ATOM 0 HA ALA A 53 -5.067 -3.057 -7.879 1.00 62.43 H new ATOM 0 HB1 ALA A 53 -7.358 -3.440 -7.011 1.00 41.23 H new ATOM 0 HB2 ALA A 53 -6.562 -4.977 -7.426 1.00 41.23 H new ATOM 0 HB3 ALA A 53 -6.695 -4.475 -5.724 1.00 41.23 H new ATOM 792 N VAL A 54 -4.983 -2.344 -4.651 1.00 22.42 N ATOM 793 CA VAL A 54 -4.812 -1.238 -3.713 1.00 60.22 C ATOM 794 C VAL A 54 -3.618 -0.384 -4.145 1.00 11.23 C ATOM 795 O VAL A 54 -3.707 0.839 -4.102 1.00 43.23 O ATOM 796 CB VAL A 54 -4.603 -1.782 -2.285 1.00 74.33 C ATOM 797 CG1 VAL A 54 -4.300 -0.702 -1.242 1.00 23.03 C ATOM 798 CG2 VAL A 54 -5.775 -2.611 -1.741 1.00 61.03 C ATOM 0 H VAL A 54 -4.945 -3.265 -4.214 1.00 22.42 H new ATOM 0 HA VAL A 54 -5.709 -0.618 -3.714 1.00 60.22 H new ATOM 0 HB VAL A 54 -3.733 -2.425 -2.421 1.00 74.33 H new ATOM 0 HG11 VAL A 54 -4.166 -1.167 -0.265 1.00 23.03 H new ATOM 0 HG12 VAL A 54 -3.388 -0.173 -1.520 1.00 23.03 H new ATOM 0 HG13 VAL A 54 -5.129 0.004 -1.198 1.00 23.03 H new ATOM 0 HG21 VAL A 54 -5.542 -2.953 -0.733 1.00 61.03 H new ATOM 0 HG22 VAL A 54 -6.675 -1.997 -1.717 1.00 61.03 H new ATOM 0 HG23 VAL A 54 -5.941 -3.473 -2.387 1.00 61.03 H new ATOM 808 N LEU A 55 -2.498 -1.007 -4.523 1.00 4.31 N ATOM 809 CA LEU A 55 -1.245 -0.309 -4.816 1.00 51.44 C ATOM 810 C LEU A 55 -1.406 0.495 -6.092 1.00 25.11 C ATOM 811 O LEU A 55 -1.086 1.679 -6.120 1.00 64.25 O ATOM 812 CB LEU A 55 -0.063 -1.276 -4.999 1.00 44.53 C ATOM 813 CG LEU A 55 0.232 -2.236 -3.843 1.00 14.54 C ATOM 814 CD1 LEU A 55 1.578 -2.904 -4.131 1.00 32.32 C ATOM 815 CD2 LEU A 55 0.232 -1.565 -2.461 1.00 12.21 C ATOM 0 H LEU A 55 -2.436 -2.019 -4.635 1.00 4.31 H new ATOM 0 HA LEU A 55 -1.028 0.336 -3.964 1.00 51.44 H new ATOM 0 HB2 LEU A 55 -0.246 -1.870 -5.895 1.00 44.53 H new ATOM 0 HB3 LEU A 55 0.833 -0.685 -5.186 1.00 44.53 H new ATOM 0 HG LEU A 55 -0.572 -2.970 -3.792 1.00 14.54 H new ATOM 0 HD11 LEU A 55 1.820 -3.597 -3.325 1.00 32.32 H new ATOM 0 HD12 LEU A 55 1.519 -3.449 -5.073 1.00 32.32 H new ATOM 0 HD13 LEU A 55 2.355 -2.142 -4.201 1.00 32.32 H new ATOM 0 HD21 LEU A 55 0.448 -2.310 -1.695 1.00 12.21 H new ATOM 0 HD22 LEU A 55 0.994 -0.786 -2.435 1.00 12.21 H new ATOM 0 HD23 LEU A 55 -0.746 -1.123 -2.271 1.00 12.21 H new ATOM 827 N GLN A 56 -1.925 -0.174 -7.116 1.00 43.22 N ATOM 828 CA GLN A 56 -2.248 0.345 -8.420 1.00 14.22 C ATOM 829 C GLN A 56 -3.105 1.590 -8.240 1.00 44.31 C ATOM 830 O GLN A 56 -2.677 2.667 -8.640 1.00 53.32 O ATOM 831 CB GLN A 56 -2.939 -0.786 -9.196 1.00 44.24 C ATOM 832 CG GLN A 56 -3.375 -0.417 -10.618 1.00 41.34 C ATOM 833 CD GLN A 56 -4.146 -1.555 -11.296 1.00 61.11 C ATOM 834 OE1 GLN A 56 -5.086 -1.318 -12.056 1.00 31.13 O ATOM 835 NE2 GLN A 56 -3.792 -2.812 -11.061 1.00 51.41 N ATOM 0 H GLN A 56 -2.143 -1.167 -7.040 1.00 43.22 H new ATOM 0 HA GLN A 56 -1.374 0.654 -8.994 1.00 14.22 H new ATOM 0 HB2 GLN A 56 -2.261 -1.638 -9.249 1.00 44.24 H new ATOM 0 HB3 GLN A 56 -3.816 -1.110 -8.635 1.00 44.24 H new ATOM 0 HG2 GLN A 56 -4.000 0.475 -10.585 1.00 41.34 H new ATOM 0 HG3 GLN A 56 -2.496 -0.169 -11.214 1.00 41.34 H new ATOM 0 HE21 GLN A 56 -3.014 -3.014 -10.433 1.00 51.41 H new ATOM 0 HE22 GLN A 56 -4.297 -3.576 -11.509 1.00 51.41 H new ATOM 844 N GLN A 57 -4.276 1.459 -7.608 1.00 13.34 N ATOM 845 CA GLN A 57 -5.221 2.571 -7.492 1.00 4.14 C ATOM 846 C GLN A 57 -4.615 3.712 -6.664 1.00 44.43 C ATOM 847 O GLN A 57 -4.855 4.890 -6.930 1.00 70.25 O ATOM 848 CB GLN A 57 -6.542 2.063 -6.886 1.00 54.12 C ATOM 849 CG GLN A 57 -7.667 3.109 -6.972 1.00 13.54 C ATOM 850 CD GLN A 57 -9.057 2.523 -6.706 1.00 14.43 C ATOM 851 OE1 GLN A 57 -9.332 2.065 -5.494 1.00 71.23 O flip ATOM 852 NE2 GLN A 57 -9.907 2.518 -7.591 1.00 30.30 N flip ATOM 0 H GLN A 57 -4.591 0.594 -7.169 1.00 13.34 H new ATOM 0 HA GLN A 57 -5.433 2.973 -8.483 1.00 4.14 H new ATOM 0 HB2 GLN A 57 -6.852 1.156 -7.406 1.00 54.12 H new ATOM 0 HB3 GLN A 57 -6.380 1.793 -5.843 1.00 54.12 H new ATOM 0 HG2 GLN A 57 -7.471 3.904 -6.252 1.00 13.54 H new ATOM 0 HG3 GLN A 57 -7.655 3.565 -7.962 1.00 13.54 H new ATOM 0 HE21 GLN A 57 -9.679 2.874 -8.519 1.00 30.30 H new ATOM 0 HE22 GLN A 57 -10.842 2.158 -7.398 1.00 30.30 H new ATOM 861 N PHE A 58 -3.824 3.367 -5.649 1.00 71.23 N ATOM 862 CA PHE A 58 -3.188 4.321 -4.759 1.00 30.04 C ATOM 863 C PHE A 58 -2.147 5.156 -5.508 1.00 14.43 C ATOM 864 O PHE A 58 -2.241 6.383 -5.495 1.00 70.04 O ATOM 865 CB PHE A 58 -2.600 3.560 -3.565 1.00 51.54 C ATOM 866 CG PHE A 58 -1.845 4.388 -2.557 1.00 71.25 C ATOM 867 CD1 PHE A 58 -2.437 5.534 -2.004 1.00 0.50 C ATOM 868 CD2 PHE A 58 -0.582 3.961 -2.108 1.00 60.43 C ATOM 869 CE1 PHE A 58 -1.753 6.265 -1.024 1.00 71.34 C ATOM 870 CE2 PHE A 58 0.098 4.695 -1.123 1.00 22.32 C ATOM 871 CZ PHE A 58 -0.479 5.856 -0.594 1.00 42.13 C ATOM 0 H PHE A 58 -3.607 2.396 -5.423 1.00 71.23 H new ATOM 0 HA PHE A 58 -3.921 5.033 -4.380 1.00 30.04 H new ATOM 0 HB2 PHE A 58 -3.413 3.050 -3.049 1.00 51.54 H new ATOM 0 HB3 PHE A 58 -1.930 2.789 -3.946 1.00 51.54 H new ATOM 0 HD1 PHE A 58 -3.416 5.851 -2.333 1.00 0.50 H new ATOM 0 HD2 PHE A 58 -0.135 3.069 -2.521 1.00 60.43 H new ATOM 0 HE1 PHE A 58 -2.207 7.147 -0.597 1.00 71.34 H new ATOM 0 HE2 PHE A 58 1.065 4.364 -0.774 1.00 22.32 H new ATOM 0 HZ PHE A 58 0.055 6.437 0.144 1.00 42.13 H new ATOM 881 N LYS A 59 -1.168 4.527 -6.162 1.00 71.25 N ATOM 882 CA LYS A 59 -0.146 5.212 -6.947 1.00 4.52 C ATOM 883 C LYS A 59 -0.742 5.943 -8.149 1.00 42.41 C ATOM 884 O LYS A 59 -0.230 6.999 -8.515 1.00 5.24 O ATOM 885 CB LYS A 59 0.942 4.202 -7.321 1.00 4.24 C ATOM 886 CG LYS A 59 2.115 4.860 -8.065 1.00 52.34 C ATOM 887 CD LYS A 59 3.413 4.058 -7.885 1.00 63.03 C ATOM 888 CE LYS A 59 4.432 4.835 -7.042 1.00 13.40 C ATOM 889 NZ LYS A 59 5.238 5.741 -7.885 1.00 22.01 N ATOM 0 H LYS A 59 -1.064 3.512 -6.159 1.00 71.25 H new ATOM 0 HA LYS A 59 0.314 6.000 -6.350 1.00 4.52 H new ATOM 0 HB2 LYS A 59 1.313 3.719 -6.417 1.00 4.24 H new ATOM 0 HB3 LYS A 59 0.510 3.420 -7.946 1.00 4.24 H new ATOM 0 HG2 LYS A 59 1.877 4.937 -9.126 1.00 52.34 H new ATOM 0 HG3 LYS A 59 2.259 5.875 -7.696 1.00 52.34 H new ATOM 0 HD2 LYS A 59 3.191 3.105 -7.405 1.00 63.03 H new ATOM 0 HD3 LYS A 59 3.842 3.831 -8.861 1.00 63.03 H new ATOM 0 HE2 LYS A 59 3.912 5.412 -6.277 1.00 13.40 H new ATOM 0 HE3 LYS A 59 5.088 4.136 -6.523 1.00 13.40 H new ATOM 0 HZ1 LYS A 59 6.212 5.778 -7.523 1.00 22.01 H new ATOM 0 HZ2 LYS A 59 5.246 5.389 -8.864 1.00 22.01 H new ATOM 0 HZ3 LYS A 59 4.825 6.695 -7.863 1.00 22.01 H new ATOM 903 N ASP A 60 -1.848 5.449 -8.703 1.00 12.32 N ATOM 904 CA ASP A 60 -2.660 6.078 -9.752 1.00 34.51 C ATOM 905 C ASP A 60 -3.536 7.215 -9.178 1.00 30.22 C ATOM 906 O ASP A 60 -4.675 7.411 -9.609 1.00 13.24 O ATOM 907 CB ASP A 60 -3.479 4.957 -10.427 1.00 11.41 C ATOM 908 CG ASP A 60 -4.101 5.273 -11.785 1.00 63.13 C ATOM 909 OD1 ASP A 60 -3.642 6.207 -12.482 1.00 21.33 O ATOM 910 OD2 ASP A 60 -4.921 4.437 -12.237 1.00 65.53 O ATOM 0 H ASP A 60 -2.226 4.546 -8.417 1.00 12.32 H new ATOM 0 HA ASP A 60 -2.032 6.562 -10.500 1.00 34.51 H new ATOM 0 HB2 ASP A 60 -2.831 4.089 -10.545 1.00 11.41 H new ATOM 0 HB3 ASP A 60 -4.280 4.667 -9.747 1.00 11.41 H new ATOM 915 N SER A 61 -3.036 7.935 -8.164 1.00 12.20 N ATOM 916 CA SER A 61 -3.647 9.088 -7.499 1.00 45.25 C ATOM 917 C SER A 61 -2.567 10.137 -7.179 1.00 25.10 C ATOM 918 O SER A 61 -1.369 9.849 -7.272 1.00 2.51 O ATOM 919 CB SER A 61 -4.330 8.662 -6.192 1.00 31.20 C ATOM 920 OG SER A 61 -5.265 7.611 -6.357 1.00 64.34 O ATOM 0 H SER A 61 -2.128 7.708 -7.760 1.00 12.20 H new ATOM 0 HA SER A 61 -4.394 9.513 -8.170 1.00 45.25 H new ATOM 0 HB2 SER A 61 -3.567 8.350 -5.478 1.00 31.20 H new ATOM 0 HB3 SER A 61 -4.838 9.524 -5.759 1.00 31.20 H new ATOM 0 HG SER A 61 -4.789 6.777 -6.552 1.00 64.34 H new ATOM 926 N ASP A 62 -2.971 11.327 -6.727 1.00 25.33 N ATOM 927 CA ASP A 62 -2.136 12.486 -6.465 1.00 52.34 C ATOM 928 C ASP A 62 -2.297 12.816 -4.988 1.00 5.33 C ATOM 929 O ASP A 62 -3.402 13.040 -4.493 1.00 51.44 O ATOM 930 CB ASP A 62 -2.561 13.676 -7.336 1.00 30.43 C ATOM 931 CG ASP A 62 -1.647 14.881 -7.123 1.00 2.44 C ATOM 932 OD1 ASP A 62 -1.382 15.267 -5.963 1.00 63.03 O ATOM 933 OD2 ASP A 62 -1.212 15.506 -8.117 1.00 64.45 O ATOM 0 H ASP A 62 -3.953 11.511 -6.524 1.00 25.33 H new ATOM 0 HA ASP A 62 -1.094 12.275 -6.707 1.00 52.34 H new ATOM 0 HB2 ASP A 62 -2.542 13.385 -8.386 1.00 30.43 H new ATOM 0 HB3 ASP A 62 -3.589 13.952 -7.101 1.00 30.43 H new ATOM 938 N LEU A 63 -1.179 12.797 -4.276 1.00 70.03 N ATOM 939 CA LEU A 63 -1.089 12.911 -2.819 1.00 75.05 C ATOM 940 C LEU A 63 -0.415 14.221 -2.379 1.00 32.33 C ATOM 941 O LEU A 63 -0.123 14.386 -1.191 1.00 11.21 O ATOM 942 CB LEU A 63 -0.346 11.689 -2.247 1.00 4.24 C ATOM 943 CG LEU A 63 -0.787 10.320 -2.804 1.00 20.00 C ATOM 944 CD1 LEU A 63 0.112 9.236 -2.216 1.00 61.34 C ATOM 945 CD2 LEU A 63 -2.252 9.960 -2.526 1.00 41.12 C ATOM 0 H LEU A 63 -0.264 12.697 -4.715 1.00 70.03 H new ATOM 0 HA LEU A 63 -2.103 12.934 -2.421 1.00 75.05 H new ATOM 0 HB2 LEU A 63 0.720 11.812 -2.438 1.00 4.24 H new ATOM 0 HB3 LEU A 63 -0.477 11.680 -1.165 1.00 4.24 H new ATOM 0 HG LEU A 63 -0.693 10.387 -3.888 1.00 20.00 H new ATOM 0 HD11 LEU A 63 -0.191 8.263 -2.603 1.00 61.34 H new ATOM 0 HD12 LEU A 63 1.147 9.431 -2.495 1.00 61.34 H new ATOM 0 HD13 LEU A 63 0.022 9.238 -1.130 1.00 61.34 H new ATOM 0 HD21 LEU A 63 -2.474 8.982 -2.953 1.00 41.12 H new ATOM 0 HD22 LEU A 63 -2.422 9.933 -1.450 1.00 41.12 H new ATOM 0 HD23 LEU A 63 -2.903 10.709 -2.977 1.00 41.12 H new ATOM 957 N SER A 64 -0.150 15.137 -3.316 1.00 71.01 N ATOM 958 CA SER A 64 0.605 16.370 -3.112 1.00 40.53 C ATOM 959 C SER A 64 -0.038 17.259 -2.038 1.00 22.24 C ATOM 960 O SER A 64 0.661 17.973 -1.314 1.00 61.21 O ATOM 961 CB SER A 64 0.688 17.103 -4.464 1.00 22.12 C ATOM 962 OG SER A 64 1.730 18.063 -4.505 1.00 33.11 O ATOM 0 H SER A 64 -0.472 15.031 -4.278 1.00 71.01 H new ATOM 0 HA SER A 64 1.605 16.131 -2.751 1.00 40.53 H new ATOM 0 HB2 SER A 64 0.841 16.373 -5.259 1.00 22.12 H new ATOM 0 HB3 SER A 64 -0.263 17.597 -4.663 1.00 22.12 H new ATOM 0 HG SER A 64 1.740 18.498 -5.383 1.00 33.11 H new ATOM 968 N HIS A 65 -1.363 17.210 -1.896 1.00 2.14 N ATOM 969 CA HIS A 65 -2.124 18.066 -0.997 1.00 55.54 C ATOM 970 C HIS A 65 -2.877 17.202 0.010 1.00 61.43 C ATOM 971 O HIS A 65 -4.044 17.464 0.313 1.00 2.10 O ATOM 972 CB HIS A 65 -3.013 19.025 -1.802 1.00 64.44 C ATOM 973 CG HIS A 65 -2.227 19.859 -2.782 1.00 44.55 C ATOM 974 ND1 HIS A 65 -1.965 19.521 -4.087 1.00 71.23 N ATOM 975 CD2 HIS A 65 -1.533 21.005 -2.505 1.00 75.04 C ATOM 976 CE1 HIS A 65 -1.105 20.420 -4.586 1.00 65.01 C ATOM 977 NE2 HIS A 65 -0.816 21.353 -3.659 1.00 53.44 N ATOM 0 H HIS A 65 -1.947 16.557 -2.418 1.00 2.14 H new ATOM 0 HA HIS A 65 -1.460 18.706 -0.415 1.00 55.54 H new ATOM 0 HB2 HIS A 65 -3.766 18.450 -2.341 1.00 64.44 H new ATOM 0 HB3 HIS A 65 -3.546 19.683 -1.116 1.00 64.44 H new ATOM 0 HD2 HIS A 65 -1.537 21.543 -1.569 1.00 75.04 H new ATOM 0 HE1 HIS A 65 -0.702 20.399 -5.588 1.00 65.01 H new ATOM 0 HE2 HIS A 65 -0.197 22.156 -3.774 1.00 53.44 H new ATOM 985 N VAL A 66 -2.212 16.164 0.528 1.00 52.32 N ATOM 986 CA VAL A 66 -2.700 15.340 1.621 1.00 62.13 C ATOM 987 C VAL A 66 -1.600 15.234 2.676 1.00 12.30 C ATOM 988 O VAL A 66 -0.592 14.572 2.434 1.00 1.32 O ATOM 989 CB VAL A 66 -3.120 13.950 1.112 1.00 74.01 C ATOM 990 CG1 VAL A 66 -3.773 13.179 2.272 1.00 32.20 C ATOM 991 CG2 VAL A 66 -4.079 13.964 -0.083 1.00 31.01 C ATOM 0 H VAL A 66 -1.297 15.872 0.185 1.00 52.32 H new ATOM 0 HA VAL A 66 -3.584 15.798 2.064 1.00 62.13 H new ATOM 0 HB VAL A 66 -2.210 13.468 0.755 1.00 74.01 H new ATOM 0 HG11 VAL A 66 -4.077 12.191 1.927 1.00 32.20 H new ATOM 0 HG12 VAL A 66 -3.058 13.075 3.088 1.00 32.20 H new ATOM 0 HG13 VAL A 66 -4.648 13.725 2.625 1.00 32.20 H new ATOM 0 HG21 VAL A 66 -4.318 12.940 -0.370 1.00 31.01 H new ATOM 0 HG22 VAL A 66 -4.995 14.487 0.192 1.00 31.01 H new ATOM 0 HG23 VAL A 66 -3.607 14.475 -0.922 1.00 31.01 H new ATOM 1001 N GLN A 67 -1.791 15.843 3.848 1.00 2.40 N ATOM 1002 CA GLN A 67 -0.914 15.667 4.999 1.00 74.05 C ATOM 1003 C GLN A 67 -0.841 14.182 5.366 1.00 63.45 C ATOM 1004 O GLN A 67 0.231 13.574 5.304 1.00 42.34 O ATOM 1005 CB GLN A 67 -1.411 16.528 6.174 1.00 44.14 C ATOM 1006 CG GLN A 67 -0.524 16.383 7.417 1.00 12.50 C ATOM 1007 CD GLN A 67 -1.151 16.954 8.688 1.00 74.34 C ATOM 1008 OE1 GLN A 67 -1.088 18.151 8.961 1.00 53.41 O ATOM 1009 NE2 GLN A 67 -1.751 16.116 9.514 1.00 75.44 N ATOM 0 H GLN A 67 -2.569 16.479 4.023 1.00 2.40 H new ATOM 0 HA GLN A 67 0.094 16.000 4.754 1.00 74.05 H new ATOM 0 HB2 GLN A 67 -1.438 17.574 5.869 1.00 44.14 H new ATOM 0 HB3 GLN A 67 -2.433 16.243 6.424 1.00 44.14 H new ATOM 0 HG2 GLN A 67 -0.303 15.327 7.574 1.00 12.50 H new ATOM 0 HG3 GLN A 67 0.427 16.884 7.235 1.00 12.50 H new ATOM 0 HE21 GLN A 67 -1.802 15.123 9.285 1.00 75.44 H new ATOM 0 HE22 GLN A 67 -2.163 16.462 10.381 1.00 75.44 H new ATOM 1018 N ASN A 68 -1.972 13.607 5.779 1.00 52.22 N ATOM 1019 CA ASN A 68 -2.032 12.264 6.341 1.00 51.14 C ATOM 1020 C ASN A 68 -2.040 11.236 5.227 1.00 55.42 C ATOM 1021 O ASN A 68 -3.090 10.819 4.735 1.00 74.24 O ATOM 1022 CB ASN A 68 -3.254 12.088 7.240 1.00 12.23 C ATOM 1023 CG ASN A 68 -3.040 12.663 8.626 1.00 55.21 C ATOM 1024 OD1 ASN A 68 -2.057 13.345 8.919 1.00 61.05 O ATOM 1025 ND2 ASN A 68 -3.976 12.385 9.500 1.00 34.12 N ATOM 0 H ASN A 68 -2.880 14.069 5.730 1.00 52.22 H new ATOM 0 HA ASN A 68 -1.146 12.115 6.958 1.00 51.14 H new ATOM 0 HB2 ASN A 68 -4.114 12.572 6.778 1.00 12.23 H new ATOM 0 HB3 ASN A 68 -3.491 11.027 7.322 1.00 12.23 H new ATOM 0 HD21 ASN A 68 -3.903 12.736 10.455 1.00 34.12 H new ATOM 0 HD22 ASN A 68 -4.778 11.817 9.225 1.00 34.12 H new ATOM 1032 N LYS A 69 -0.848 10.816 4.826 1.00 11.42 N ATOM 1033 CA LYS A 69 -0.677 9.816 3.788 1.00 24.20 C ATOM 1034 C LYS A 69 -1.307 8.491 4.194 1.00 71.02 C ATOM 1035 O LYS A 69 -1.904 7.802 3.365 1.00 42.33 O ATOM 1036 CB LYS A 69 0.819 9.650 3.481 1.00 75.04 C ATOM 1037 CG LYS A 69 1.476 10.970 3.030 1.00 23.42 C ATOM 1038 CD LYS A 69 0.788 11.526 1.775 1.00 11.53 C ATOM 1039 CE LYS A 69 1.685 12.445 0.936 1.00 0.22 C ATOM 1040 NZ LYS A 69 1.886 13.768 1.559 1.00 75.13 N ATOM 0 H LYS A 69 0.029 11.162 5.215 1.00 11.42 H new ATOM 0 HA LYS A 69 -1.188 10.150 2.885 1.00 24.20 H new ATOM 0 HB2 LYS A 69 1.330 9.278 4.369 1.00 75.04 H new ATOM 0 HB3 LYS A 69 0.946 8.899 2.701 1.00 75.04 H new ATOM 0 HG2 LYS A 69 1.419 11.703 3.835 1.00 23.42 H new ATOM 0 HG3 LYS A 69 2.534 10.803 2.826 1.00 23.42 H new ATOM 0 HD2 LYS A 69 0.455 10.694 1.155 1.00 11.53 H new ATOM 0 HD3 LYS A 69 -0.103 12.077 2.074 1.00 11.53 H new ATOM 0 HE2 LYS A 69 2.653 11.966 0.790 1.00 0.22 H new ATOM 0 HE3 LYS A 69 1.242 12.576 -0.051 1.00 0.22 H new ATOM 0 HZ1 LYS A 69 2.227 14.441 0.843 1.00 75.13 H new ATOM 0 HZ2 LYS A 69 0.985 14.107 1.951 1.00 75.13 H new ATOM 0 HZ3 LYS A 69 2.588 13.689 2.322 1.00 75.13 H new ATOM 1054 N SER A 70 -1.203 8.160 5.472 1.00 42.32 N ATOM 1055 CA SER A 70 -1.722 6.942 6.050 1.00 64.45 C ATOM 1056 C SER A 70 -3.223 6.926 5.880 1.00 13.31 C ATOM 1057 O SER A 70 -3.735 5.994 5.266 1.00 32.42 O ATOM 1058 CB SER A 70 -1.308 6.774 7.512 1.00 33.12 C ATOM 1059 OG SER A 70 -1.457 7.961 8.275 1.00 14.52 O ATOM 0 H SER A 70 -0.737 8.758 6.155 1.00 42.32 H new ATOM 0 HA SER A 70 -1.293 6.088 5.526 1.00 64.45 H new ATOM 0 HB2 SER A 70 -1.906 5.982 7.963 1.00 33.12 H new ATOM 0 HB3 SER A 70 -0.268 6.451 7.554 1.00 33.12 H new ATOM 0 HG SER A 70 -1.179 7.793 9.200 1.00 14.52 H new ATOM 1065 N ALA A 71 -3.925 7.955 6.372 1.00 34.14 N ATOM 1066 CA ALA A 71 -5.376 7.931 6.345 1.00 31.03 C ATOM 1067 C ALA A 71 -5.972 7.894 4.937 1.00 40.55 C ATOM 1068 O ALA A 71 -7.118 7.466 4.781 1.00 32.13 O ATOM 1069 CB ALA A 71 -5.915 9.141 7.110 1.00 31.24 C ATOM 0 H ALA A 71 -3.514 8.793 6.783 1.00 34.14 H new ATOM 0 HA ALA A 71 -5.682 7.000 6.823 1.00 31.03 H new ATOM 0 HB1 ALA A 71 -7.005 9.127 7.092 1.00 31.24 H new ATOM 0 HB2 ALA A 71 -5.568 9.102 8.143 1.00 31.24 H new ATOM 0 HB3 ALA A 71 -5.556 10.057 6.641 1.00 31.24 H new ATOM 1075 N PHE A 72 -5.210 8.303 3.918 1.00 13.13 N ATOM 1076 CA PHE A 72 -5.652 8.181 2.532 1.00 35.04 C ATOM 1077 C PHE A 72 -5.563 6.715 2.119 1.00 15.10 C ATOM 1078 O PHE A 72 -6.543 6.102 1.693 1.00 1.12 O ATOM 1079 CB PHE A 72 -4.776 9.069 1.643 1.00 41.31 C ATOM 1080 CG PHE A 72 -5.185 9.189 0.181 1.00 3.52 C ATOM 1081 CD1 PHE A 72 -4.966 8.131 -0.726 1.00 51.13 C ATOM 1082 CD2 PHE A 72 -5.704 10.408 -0.296 1.00 60.03 C ATOM 1083 CE1 PHE A 72 -5.260 8.292 -2.094 1.00 34.22 C ATOM 1084 CE2 PHE A 72 -5.971 10.577 -1.665 1.00 14.42 C ATOM 1085 CZ PHE A 72 -5.757 9.520 -2.563 1.00 64.03 C ATOM 0 H PHE A 72 -4.286 8.720 4.030 1.00 13.13 H new ATOM 0 HA PHE A 72 -6.685 8.511 2.423 1.00 35.04 H new ATOM 0 HB2 PHE A 72 -4.758 10.070 2.074 1.00 41.31 H new ATOM 0 HB3 PHE A 72 -3.756 8.687 1.681 1.00 41.31 H new ATOM 0 HD1 PHE A 72 -4.570 7.192 -0.369 1.00 51.13 H new ATOM 0 HD2 PHE A 72 -5.898 11.216 0.393 1.00 60.03 H new ATOM 0 HE1 PHE A 72 -5.104 7.473 -2.781 1.00 34.22 H new ATOM 0 HE2 PHE A 72 -6.342 11.524 -2.028 1.00 14.42 H new ATOM 0 HZ PHE A 72 -5.974 9.650 -3.613 1.00 64.03 H new ATOM 1095 N LEU A 73 -4.362 6.148 2.257 1.00 55.44 N ATOM 1096 CA LEU A 73 -4.004 4.814 1.782 1.00 11.54 C ATOM 1097 C LEU A 73 -4.885 3.784 2.464 1.00 12.40 C ATOM 1098 O LEU A 73 -5.453 2.884 1.843 1.00 62.31 O ATOM 1099 CB LEU A 73 -2.519 4.580 2.110 1.00 32.11 C ATOM 1100 CG LEU A 73 -1.993 3.139 1.922 1.00 41.55 C ATOM 1101 CD1 LEU A 73 -2.237 2.308 3.182 1.00 54.13 C ATOM 1102 CD2 LEU A 73 -2.436 2.474 0.612 1.00 41.55 C ATOM 0 H LEU A 73 -3.587 6.624 2.719 1.00 55.44 H new ATOM 0 HA LEU A 73 -4.156 4.724 0.706 1.00 11.54 H new ATOM 0 HB2 LEU A 73 -1.922 5.246 1.486 1.00 32.11 H new ATOM 0 HB3 LEU A 73 -2.347 4.874 3.145 1.00 32.11 H new ATOM 0 HG LEU A 73 -0.912 3.200 1.796 1.00 41.55 H new ATOM 0 HD11 LEU A 73 -1.860 1.297 3.030 1.00 54.13 H new ATOM 0 HD12 LEU A 73 -1.719 2.765 4.025 1.00 54.13 H new ATOM 0 HD13 LEU A 73 -3.306 2.269 3.391 1.00 54.13 H new ATOM 0 HD21 LEU A 73 -2.024 1.466 0.558 1.00 41.55 H new ATOM 0 HD22 LEU A 73 -3.524 2.424 0.579 1.00 41.55 H new ATOM 0 HD23 LEU A 73 -2.074 3.059 -0.234 1.00 41.55 H new ATOM 1114 N CYS A 74 -4.966 3.924 3.779 1.00 12.31 N ATOM 1115 CA CYS A 74 -5.672 3.007 4.649 1.00 72.24 C ATOM 1116 C CYS A 74 -7.152 2.942 4.232 1.00 62.44 C ATOM 1117 O CYS A 74 -7.781 1.891 4.365 1.00 34.32 O ATOM 1118 CB CYS A 74 -5.473 3.472 6.101 1.00 1.10 C ATOM 1119 SG CYS A 74 -6.655 4.716 6.653 1.00 20.43 S ATOM 0 H CYS A 74 -4.530 4.699 4.279 1.00 12.31 H new ATOM 0 HA CYS A 74 -5.281 1.993 4.567 1.00 72.24 H new ATOM 0 HB2 CYS A 74 -5.541 2.606 6.760 1.00 1.10 H new ATOM 0 HB3 CYS A 74 -4.465 3.874 6.206 1.00 1.10 H new ATOM 0 HG CYS A 74 -6.402 5.038 7.887 1.00 20.43 H new ATOM 1125 N GLY A 75 -7.686 4.047 3.692 1.00 33.02 N ATOM 1126 CA GLY A 75 -9.023 4.140 3.136 1.00 35.23 C ATOM 1127 C GLY A 75 -9.164 3.318 1.855 1.00 43.51 C ATOM 1128 O GLY A 75 -10.119 2.552 1.734 1.00 1.12 O ATOM 0 H GLY A 75 -7.172 4.926 3.633 1.00 33.02 H new ATOM 0 HA2 GLY A 75 -9.748 3.793 3.872 1.00 35.23 H new ATOM 0 HA3 GLY A 75 -9.257 5.184 2.926 1.00 35.23 H new ATOM 1132 N VAL A 76 -8.203 3.397 0.924 1.00 42.21 N ATOM 1133 CA VAL A 76 -8.205 2.586 -0.302 1.00 20.20 C ATOM 1134 C VAL A 76 -8.242 1.095 0.068 1.00 43.53 C ATOM 1135 O VAL A 76 -8.989 0.321 -0.527 1.00 15.13 O ATOM 1136 CB VAL A 76 -6.998 2.916 -1.223 1.00 31.03 C ATOM 1137 CG1 VAL A 76 -7.174 2.316 -2.623 1.00 62.42 C ATOM 1138 CG2 VAL A 76 -6.771 4.427 -1.398 1.00 71.41 C ATOM 0 H VAL A 76 -7.403 4.025 0.999 1.00 42.21 H new ATOM 0 HA VAL A 76 -9.100 2.831 -0.874 1.00 20.20 H new ATOM 0 HB VAL A 76 -6.136 2.477 -0.720 1.00 31.03 H new ATOM 0 HG11 VAL A 76 -6.310 2.568 -3.238 1.00 62.42 H new ATOM 0 HG12 VAL A 76 -7.261 1.232 -2.546 1.00 62.42 H new ATOM 0 HG13 VAL A 76 -8.076 2.721 -3.081 1.00 62.42 H new ATOM 0 HG21 VAL A 76 -5.915 4.593 -2.051 1.00 71.41 H new ATOM 0 HG22 VAL A 76 -7.658 4.879 -1.841 1.00 71.41 H new ATOM 0 HG23 VAL A 76 -6.579 4.881 -0.426 1.00 71.41 H new ATOM 1148 N MET A 77 -7.496 0.674 1.095 1.00 74.22 N ATOM 1149 CA MET A 77 -7.560 -0.717 1.555 1.00 13.50 C ATOM 1150 C MET A 77 -8.959 -1.059 2.067 1.00 40.21 C ATOM 1151 O MET A 77 -9.429 -2.182 1.885 1.00 35.12 O ATOM 1152 CB MET A 77 -6.552 -0.997 2.674 1.00 15.52 C ATOM 1153 CG MET A 77 -5.135 -0.550 2.324 1.00 11.53 C ATOM 1154 SD MET A 77 -3.836 -1.804 2.394 1.00 71.11 S ATOM 1155 CE MET A 77 -2.411 -0.697 2.293 1.00 14.22 C ATOM 0 H MET A 77 -6.850 1.266 1.617 1.00 74.22 H new ATOM 0 HA MET A 77 -7.315 -1.338 0.693 1.00 13.50 H new ATOM 0 HB2 MET A 77 -6.874 -0.487 3.582 1.00 15.52 H new ATOM 0 HB3 MET A 77 -6.547 -2.065 2.893 1.00 15.52 H new ATOM 0 HG2 MET A 77 -5.150 -0.135 1.316 1.00 11.53 H new ATOM 0 HG3 MET A 77 -4.860 0.261 2.999 1.00 11.53 H new ATOM 0 HE1 MET A 77 -1.629 -1.164 1.694 1.00 14.22 H new ATOM 0 HE2 MET A 77 -2.712 0.242 1.828 1.00 14.22 H new ATOM 0 HE3 MET A 77 -2.032 -0.500 3.296 1.00 14.22 H new ATOM 1165 N LYS A 78 -9.623 -0.102 2.716 1.00 41.55 N ATOM 1166 CA LYS A 78 -10.923 -0.315 3.326 1.00 44.51 C ATOM 1167 C LYS A 78 -11.925 -0.669 2.244 1.00 52.41 C ATOM 1168 O LYS A 78 -12.512 -1.745 2.313 1.00 3.41 O ATOM 1169 CB LYS A 78 -11.367 0.907 4.144 1.00 34.42 C ATOM 1170 CG LYS A 78 -12.351 0.439 5.217 1.00 52.14 C ATOM 1171 CD LYS A 78 -13.100 1.608 5.863 1.00 0.34 C ATOM 1172 CE LYS A 78 -13.793 1.173 7.159 1.00 31.23 C ATOM 1173 NZ LYS A 78 -12.836 0.700 8.185 1.00 54.34 N ATOM 0 H LYS A 78 -9.266 0.847 2.830 1.00 41.55 H new ATOM 0 HA LYS A 78 -10.859 -1.145 4.030 1.00 44.51 H new ATOM 0 HB2 LYS A 78 -10.504 1.388 4.605 1.00 34.42 H new ATOM 0 HB3 LYS A 78 -11.837 1.647 3.496 1.00 34.42 H new ATOM 0 HG2 LYS A 78 -13.070 -0.250 4.773 1.00 52.14 H new ATOM 0 HG3 LYS A 78 -11.812 -0.114 5.986 1.00 52.14 H new ATOM 0 HD2 LYS A 78 -12.402 2.418 6.075 1.00 0.34 H new ATOM 0 HD3 LYS A 78 -13.840 1.999 5.165 1.00 0.34 H new ATOM 0 HE2 LYS A 78 -14.365 2.010 7.559 1.00 31.23 H new ATOM 0 HE3 LYS A 78 -14.505 0.378 6.937 1.00 31.23 H new ATOM 0 HZ1 LYS A 78 -13.272 0.773 9.126 1.00 54.34 H new ATOM 0 HZ2 LYS A 78 -12.585 -0.291 7.995 1.00 54.34 H new ATOM 0 HZ3 LYS A 78 -11.977 1.286 8.155 1.00 54.34 H new ATOM 1187 N THR A 79 -12.084 0.197 1.234 1.00 22.22 N ATOM 1188 CA THR A 79 -12.964 -0.084 0.105 1.00 14.42 C ATOM 1189 C THR A 79 -12.593 -1.441 -0.488 1.00 22.30 C ATOM 1190 O THR A 79 -13.464 -2.295 -0.568 1.00 62.25 O ATOM 1191 CB THR A 79 -13.005 1.083 -0.918 1.00 63.14 C ATOM 1192 OG1 THR A 79 -13.575 0.679 -2.146 1.00 42.12 O ATOM 1193 CG2 THR A 79 -11.664 1.700 -1.304 1.00 52.34 C ATOM 0 H THR A 79 -11.611 1.099 1.181 1.00 22.22 H new ATOM 0 HA THR A 79 -13.996 -0.154 0.449 1.00 14.42 H new ATOM 0 HB THR A 79 -13.592 1.824 -0.376 1.00 63.14 H new ATOM 0 HG1 THR A 79 -13.587 1.438 -2.766 1.00 42.12 H new ATOM 0 HG21 THR A 79 -11.826 2.503 -2.023 1.00 52.34 H new ATOM 0 HG22 THR A 79 -11.179 2.102 -0.415 1.00 52.34 H new ATOM 0 HG23 THR A 79 -11.027 0.936 -1.751 1.00 52.34 H new ATOM 1201 N TYR A 80 -11.326 -1.710 -0.814 1.00 61.44 N ATOM 1202 CA TYR A 80 -10.969 -2.949 -1.501 1.00 75.13 C ATOM 1203 C TYR A 80 -11.306 -4.238 -0.746 1.00 35.24 C ATOM 1204 O TYR A 80 -11.636 -5.245 -1.377 1.00 3.12 O ATOM 1205 CB TYR A 80 -9.492 -2.928 -1.873 1.00 73.32 C ATOM 1206 CG TYR A 80 -9.270 -2.383 -3.264 1.00 23.43 C ATOM 1207 CD1 TYR A 80 -9.854 -3.032 -4.368 1.00 63.23 C ATOM 1208 CD2 TYR A 80 -8.479 -1.242 -3.455 1.00 32.22 C ATOM 1209 CE1 TYR A 80 -9.618 -2.563 -5.667 1.00 3.22 C ATOM 1210 CE2 TYR A 80 -8.215 -0.780 -4.754 1.00 44.13 C ATOM 1211 CZ TYR A 80 -8.788 -1.437 -5.870 1.00 32.04 C ATOM 1212 OH TYR A 80 -8.528 -1.009 -7.133 1.00 1.30 O ATOM 0 H TYR A 80 -10.539 -1.092 -0.615 1.00 61.44 H new ATOM 0 HA TYR A 80 -11.595 -2.974 -2.393 1.00 75.13 H new ATOM 0 HB2 TYR A 80 -8.945 -2.320 -1.153 1.00 73.32 H new ATOM 0 HB3 TYR A 80 -9.087 -3.938 -1.810 1.00 73.32 H new ATOM 0 HD1 TYR A 80 -10.486 -3.894 -4.213 1.00 63.23 H new ATOM 0 HD2 TYR A 80 -8.072 -0.718 -2.603 1.00 32.22 H new ATOM 0 HE1 TYR A 80 -10.070 -3.061 -6.512 1.00 3.22 H new ATOM 0 HE2 TYR A 80 -7.575 0.077 -4.902 1.00 44.13 H new ATOM 0 HH TYR A 80 -9.289 -1.221 -7.713 1.00 1.30 H new ATOM 1222 N ARG A 81 -11.223 -4.237 0.587 1.00 35.40 N ATOM 1223 CA ARG A 81 -11.587 -5.405 1.397 1.00 34.42 C ATOM 1224 C ARG A 81 -13.110 -5.501 1.582 1.00 44.41 C ATOM 1225 O ARG A 81 -13.610 -6.499 2.103 1.00 20.30 O ATOM 1226 CB ARG A 81 -10.812 -5.344 2.727 1.00 33.11 C ATOM 1227 CG ARG A 81 -10.226 -6.688 3.187 1.00 23.30 C ATOM 1228 CD ARG A 81 -11.265 -7.630 3.792 1.00 22.43 C ATOM 1229 NE ARG A 81 -10.621 -8.745 4.498 1.00 61.44 N ATOM 1230 CZ ARG A 81 -11.211 -9.541 5.395 1.00 75.03 C ATOM 1231 NH1 ARG A 81 -12.519 -9.459 5.638 1.00 51.55 N ATOM 1232 NH2 ARG A 81 -10.487 -10.434 6.051 1.00 42.12 N ATOM 0 H ARG A 81 -10.905 -3.436 1.132 1.00 35.40 H new ATOM 0 HA ARG A 81 -11.302 -6.324 0.884 1.00 34.42 H new ATOM 0 HB2 ARG A 81 -10.000 -4.624 2.627 1.00 33.11 H new ATOM 0 HB3 ARG A 81 -11.478 -4.968 3.504 1.00 33.11 H new ATOM 0 HG2 ARG A 81 -9.753 -7.179 2.337 1.00 23.30 H new ATOM 0 HG3 ARG A 81 -9.444 -6.502 3.923 1.00 23.30 H new ATOM 0 HD2 ARG A 81 -11.902 -7.078 4.483 1.00 22.43 H new ATOM 0 HD3 ARG A 81 -11.910 -8.019 3.004 1.00 22.43 H new ATOM 0 HE ARG A 81 -9.640 -8.927 4.286 1.00 61.44 H new ATOM 0 HH11 ARG A 81 -13.089 -8.779 5.135 1.00 51.55 H new ATOM 0 HH12 ARG A 81 -12.949 -10.076 6.327 1.00 51.55 H new ATOM 0 HH21 ARG A 81 -9.486 -10.511 5.870 1.00 42.12 H new ATOM 0 HH22 ARG A 81 -10.930 -11.045 6.737 1.00 42.12 H new ATOM 1246 N GLN A 82 -13.853 -4.464 1.199 1.00 12.14 N ATOM 1247 CA GLN A 82 -15.282 -4.309 1.366 1.00 41.51 C ATOM 1248 C GLN A 82 -15.883 -3.711 0.082 1.00 12.33 C ATOM 1249 O GLN A 82 -16.343 -2.561 0.062 1.00 42.45 O ATOM 1250 CB GLN A 82 -15.490 -3.415 2.592 1.00 33.32 C ATOM 1251 CG GLN A 82 -15.322 -4.180 3.916 1.00 4.21 C ATOM 1252 CD GLN A 82 -15.478 -3.284 5.142 1.00 32.33 C ATOM 1253 OE1 GLN A 82 -14.677 -2.382 5.387 1.00 11.21 O ATOM 1254 NE2 GLN A 82 -16.494 -3.499 5.955 1.00 40.44 N ATOM 0 H GLN A 82 -13.436 -3.659 0.732 1.00 12.14 H new ATOM 0 HA GLN A 82 -15.789 -5.260 1.530 1.00 41.51 H new ATOM 0 HB2 GLN A 82 -14.779 -2.590 2.560 1.00 33.32 H new ATOM 0 HB3 GLN A 82 -16.488 -2.977 2.553 1.00 33.32 H new ATOM 0 HG2 GLN A 82 -16.058 -4.982 3.962 1.00 4.21 H new ATOM 0 HG3 GLN A 82 -14.338 -4.648 3.937 1.00 4.21 H new ATOM 0 HE21 GLN A 82 -17.159 -4.246 5.754 1.00 40.44 H new ATOM 0 HE22 GLN A 82 -16.615 -2.918 6.785 1.00 40.44 H new