USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 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 15 HIS : no HD1:sc= -0.748 X(o=-0.79,f=-0.31) USER MOD Set 1.2: A 61 ASN : amide:sc= -0.0387 K(o=-0.79,f=-1.6!) USER MOD Single : A 3 SER OG : rot 3:sc= 0.81 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.028) USER MOD Single : A 7 TYR OH : rot 150:sc= -1.48 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 60:sc= 1.07 USER MOD Single : A 24 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.044) USER MOD Single : A 31 THR OG1 : rot 93:sc= 0.245 USER MOD Single : A 42 SER OG : rot 69:sc= 0.302 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.6!) USER MOD Single : A 54 GLN : amide:sc= -0.0643 K(o=-0.064,f=-0.57) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.236 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.029) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 92 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 5.797 -1.595 -3.874 1.00 54.33 N ATOM 23 CA SER A 3 6.411 -2.912 -3.759 1.00 45.10 C ATOM 24 C SER A 3 7.912 -2.836 -4.026 1.00 73.32 C ATOM 25 O SER A 3 8.527 -3.815 -4.447 1.00 24.44 O ATOM 26 CB SER A 3 5.757 -3.891 -4.736 1.00 12.24 C ATOM 27 OG SER A 3 4.589 -3.332 -5.313 1.00 5.35 O ATOM 0 HA SER A 3 6.257 -3.270 -2.741 1.00 45.10 H new ATOM 0 HB2 SER A 3 6.465 -4.153 -5.522 1.00 12.24 H new ATOM 0 HB3 SER A 3 5.503 -4.814 -4.215 1.00 12.24 H new ATOM 0 HG SER A 3 4.474 -2.413 -4.993 1.00 5.35 H new ATOM 33 N GLN A 4 8.492 -1.667 -3.779 1.00 2.43 N ATOM 34 CA GLN A 4 9.920 -1.462 -3.993 1.00 71.40 C ATOM 35 C GLN A 4 10.704 -1.709 -2.708 1.00 60.24 C ATOM 36 O GLN A 4 10.731 -0.863 -1.814 1.00 72.21 O ATOM 37 CB GLN A 4 10.183 -0.044 -4.501 1.00 1.44 C ATOM 38 CG GLN A 4 11.430 0.073 -5.362 1.00 61.23 C ATOM 39 CD GLN A 4 11.177 0.818 -6.658 1.00 13.12 C ATOM 40 OE1 GLN A 4 10.532 0.300 -7.570 1.00 20.31 O ATOM 41 NE2 GLN A 4 11.684 2.042 -6.746 1.00 12.22 N ATOM 0 H GLN A 4 7.996 -0.847 -3.430 1.00 2.43 H new ATOM 0 HA GLN A 4 10.255 -2.177 -4.744 1.00 71.40 H new ATOM 0 HB2 GLN A 4 9.321 0.292 -5.077 1.00 1.44 H new ATOM 0 HB3 GLN A 4 10.277 0.627 -3.647 1.00 1.44 H new ATOM 0 HG2 GLN A 4 12.209 0.586 -4.798 1.00 61.23 H new ATOM 0 HG3 GLN A 4 11.805 -0.925 -5.588 1.00 61.23 H new ATOM 0 HE21 GLN A 4 12.212 2.433 -5.966 1.00 12.22 H new ATOM 0 HE22 GLN A 4 11.545 2.592 -7.594 1.00 12.22 H new ATOM 50 N ILE A 5 11.340 -2.873 -2.624 1.00 2.42 N ATOM 51 CA ILE A 5 12.125 -3.230 -1.449 1.00 2.33 C ATOM 52 C ILE A 5 13.483 -3.798 -1.847 1.00 30.53 C ATOM 53 O ILE A 5 13.603 -4.506 -2.848 1.00 12.52 O ATOM 54 CB ILE A 5 11.388 -4.258 -0.570 1.00 41.24 C ATOM 55 CG1 ILE A 5 9.930 -3.839 -0.372 1.00 32.22 C ATOM 56 CG2 ILE A 5 12.089 -4.408 0.771 1.00 2.45 C ATOM 57 CD1 ILE A 5 9.773 -2.524 0.358 1.00 11.50 C ATOM 0 H ILE A 5 11.327 -3.584 -3.355 1.00 2.42 H new ATOM 0 HA ILE A 5 12.271 -2.314 -0.877 1.00 2.33 H new ATOM 0 HB ILE A 5 11.404 -5.224 -1.075 1.00 41.24 H new ATOM 0 HG12 ILE A 5 9.446 -3.765 -1.346 1.00 32.22 H new ATOM 0 HG13 ILE A 5 9.409 -4.618 0.184 1.00 32.22 H new ATOM 0 HG21 ILE A 5 11.556 -5.138 1.381 1.00 2.45 H new ATOM 0 HG22 ILE A 5 13.112 -4.747 0.611 1.00 2.45 H new ATOM 0 HG23 ILE A 5 12.102 -3.447 1.284 1.00 2.45 H new ATOM 0 HD11 ILE A 5 8.714 -2.290 0.462 1.00 11.50 H new ATOM 0 HD12 ILE A 5 10.227 -2.600 1.346 1.00 11.50 H new ATOM 0 HD13 ILE A 5 10.265 -1.733 -0.208 1.00 11.50 H new ATOM 69 N HIS A 6 14.504 -3.487 -1.055 1.00 43.50 N ATOM 70 CA HIS A 6 15.855 -3.969 -1.323 1.00 55.42 C ATOM 71 C HIS A 6 16.549 -4.387 -0.031 1.00 12.24 C ATOM 72 O HIS A 6 16.246 -3.868 1.044 1.00 4.31 O ATOM 73 CB HIS A 6 16.674 -2.888 -2.029 1.00 52.13 C ATOM 74 CG HIS A 6 16.660 -1.568 -1.322 1.00 4.05 C ATOM 75 ND1 HIS A 6 17.765 -1.045 -0.684 1.00 3.15 N ATOM 76 CD2 HIS A 6 15.668 -0.663 -1.155 1.00 11.22 C ATOM 77 CE1 HIS A 6 17.453 0.124 -0.154 1.00 14.15 C ATOM 78 NE2 HIS A 6 16.186 0.379 -0.426 1.00 15.43 N ATOM 0 H HIS A 6 14.422 -2.903 -0.222 1.00 43.50 H new ATOM 0 HA HIS A 6 15.781 -4.841 -1.973 1.00 55.42 H new ATOM 0 HB2 HIS A 6 17.705 -3.229 -2.124 1.00 52.13 H new ATOM 0 HB3 HIS A 6 16.288 -2.754 -3.040 1.00 52.13 H new ATOM 0 HD2 HIS A 6 14.657 -0.745 -1.526 1.00 11.22 H new ATOM 0 HE1 HIS A 6 18.120 0.762 0.406 1.00 14.15 H new ATOM 0 HE2 HIS A 6 15.675 1.214 -0.141 1.00 15.43 H new ATOM 86 N TYR A 7 17.479 -5.328 -0.143 1.00 24.04 N ATOM 87 CA TYR A 7 18.214 -5.818 1.017 1.00 21.35 C ATOM 88 C TYR A 7 19.717 -5.804 0.756 1.00 22.12 C ATOM 89 O TYR A 7 20.160 -5.598 -0.373 1.00 64.05 O ATOM 90 CB TYR A 7 17.760 -7.235 1.373 1.00 24.04 C ATOM 91 CG TYR A 7 16.259 -7.415 1.347 1.00 43.31 C ATOM 92 CD1 TYR A 7 15.419 -6.491 1.957 1.00 72.24 C ATOM 93 CD2 TYR A 7 15.682 -8.508 0.713 1.00 14.14 C ATOM 94 CE1 TYR A 7 14.047 -6.651 1.936 1.00 72.43 C ATOM 95 CE2 TYR A 7 14.311 -8.675 0.686 1.00 34.33 C ATOM 96 CZ TYR A 7 13.498 -7.745 1.299 1.00 55.31 C ATOM 97 OH TYR A 7 12.131 -7.909 1.275 1.00 5.23 O ATOM 0 H TYR A 7 17.742 -5.767 -1.025 1.00 24.04 H new ATOM 0 HA TYR A 7 18.003 -5.154 1.856 1.00 21.35 H new ATOM 0 HB2 TYR A 7 18.214 -7.939 0.675 1.00 24.04 H new ATOM 0 HB3 TYR A 7 18.130 -7.487 2.367 1.00 24.04 H new ATOM 0 HD1 TYR A 7 15.846 -5.634 2.456 1.00 72.24 H new ATOM 0 HD2 TYR A 7 16.316 -9.239 0.233 1.00 14.14 H new ATOM 0 HE1 TYR A 7 13.408 -5.924 2.415 1.00 72.43 H new ATOM 0 HE2 TYR A 7 13.878 -9.530 0.187 1.00 34.33 H new ATOM 0 HH TYR A 7 11.873 -8.383 0.457 1.00 5.23 H new ATOM 107 N SER A 8 20.496 -6.026 1.810 1.00 4.41 N ATOM 108 CA SER A 8 21.950 -6.035 1.697 1.00 22.42 C ATOM 109 C SER A 8 22.526 -7.351 2.211 1.00 21.43 C ATOM 110 O SER A 8 22.179 -7.810 3.300 1.00 75.22 O ATOM 111 CB SER A 8 22.551 -4.864 2.476 1.00 43.21 C ATOM 112 OG SER A 8 21.562 -4.201 3.244 1.00 40.20 O ATOM 0 H SER A 8 20.145 -6.202 2.751 1.00 4.41 H new ATOM 0 HA SER A 8 22.208 -5.931 0.643 1.00 22.42 H new ATOM 0 HB2 SER A 8 23.342 -5.227 3.132 1.00 43.21 H new ATOM 0 HB3 SER A 8 23.010 -4.159 1.783 1.00 43.21 H new ATOM 0 HG SER A 8 21.972 -3.458 3.734 1.00 40.20 H new ATOM 118 N ILE A 9 23.408 -7.953 1.420 1.00 1.03 N ATOM 119 CA ILE A 9 24.033 -9.215 1.795 1.00 24.21 C ATOM 120 C ILE A 9 25.467 -9.292 1.281 1.00 21.24 C ATOM 121 O ILE A 9 25.745 -9.055 0.106 1.00 62.33 O ATOM 122 CB ILE A 9 23.240 -10.419 1.253 1.00 24.11 C ATOM 123 CG1 ILE A 9 24.093 -11.688 1.314 1.00 32.23 C ATOM 124 CG2 ILE A 9 22.780 -10.152 -0.172 1.00 40.21 C ATOM 125 CD1 ILE A 9 24.778 -12.019 0.007 1.00 24.21 C ATOM 0 H ILE A 9 23.706 -7.587 0.516 1.00 1.03 H new ATOM 0 HA ILE A 9 24.037 -9.254 2.884 1.00 24.21 H new ATOM 0 HB ILE A 9 22.358 -10.566 1.877 1.00 24.11 H new ATOM 0 HG12 ILE A 9 24.848 -11.571 2.091 1.00 32.23 H new ATOM 0 HG13 ILE A 9 23.461 -12.527 1.606 1.00 32.23 H new ATOM 0 HG21 ILE A 9 22.221 -11.012 -0.541 1.00 40.21 H new ATOM 0 HG22 ILE A 9 22.141 -9.269 -0.189 1.00 40.21 H new ATOM 0 HG23 ILE A 9 23.648 -9.983 -0.809 1.00 40.21 H new ATOM 0 HD11 ILE A 9 25.365 -12.930 0.124 1.00 24.21 H new ATOM 0 HD12 ILE A 9 24.028 -12.168 -0.769 1.00 24.21 H new ATOM 0 HD13 ILE A 9 25.436 -11.198 -0.277 1.00 24.21 H new ATOM 137 N PRO A 10 26.401 -9.633 2.182 1.00 73.40 N ATOM 138 CA PRO A 10 27.822 -9.752 1.843 1.00 72.43 C ATOM 139 C PRO A 10 28.106 -10.954 0.948 1.00 75.11 C ATOM 140 O PRO A 10 27.667 -12.068 1.232 1.00 15.13 O ATOM 141 CB PRO A 10 28.498 -9.928 3.205 1.00 62.24 C ATOM 142 CG PRO A 10 27.442 -10.511 4.079 1.00 5.04 C ATOM 143 CD PRO A 10 26.141 -9.930 3.601 1.00 52.12 C ATOM 0 HA PRO A 10 28.181 -8.889 1.282 1.00 72.43 H new ATOM 0 HB2 PRO A 10 29.363 -10.588 3.135 1.00 62.24 H new ATOM 0 HB3 PRO A 10 28.854 -8.975 3.596 1.00 62.24 H new ATOM 0 HG2 PRO A 10 27.433 -11.599 4.008 1.00 5.04 H new ATOM 0 HG3 PRO A 10 27.620 -10.262 5.125 1.00 5.04 H new ATOM 0 HD2 PRO A 10 25.318 -10.635 3.720 1.00 52.12 H new ATOM 0 HD3 PRO A 10 25.874 -9.032 4.157 1.00 52.12 H new ATOM 151 N GLU A 11 28.842 -10.720 -0.134 1.00 23.14 N ATOM 152 CA GLU A 11 29.184 -11.785 -1.070 1.00 14.14 C ATOM 153 C GLU A 11 29.690 -13.019 -0.329 1.00 2.04 C ATOM 154 O GLU A 11 30.119 -12.932 0.822 1.00 53.14 O ATOM 155 CB GLU A 11 30.243 -11.302 -2.062 1.00 3.30 C ATOM 156 CG GLU A 11 29.829 -11.453 -3.516 1.00 65.21 C ATOM 157 CD GLU A 11 30.971 -11.912 -4.403 1.00 32.44 C ATOM 158 OE1 GLU A 11 31.793 -12.729 -3.937 1.00 73.13 O ATOM 159 OE2 GLU A 11 31.041 -11.455 -5.563 1.00 3.55 O ATOM 0 H GLU A 11 29.213 -9.803 -0.384 1.00 23.14 H new ATOM 0 HA GLU A 11 28.281 -12.056 -1.617 1.00 14.14 H new ATOM 0 HB2 GLU A 11 30.464 -10.253 -1.863 1.00 3.30 H new ATOM 0 HB3 GLU A 11 31.165 -11.859 -1.896 1.00 3.30 H new ATOM 0 HG2 GLU A 11 29.010 -12.169 -3.584 1.00 65.21 H new ATOM 0 HG3 GLU A 11 29.450 -10.499 -3.883 1.00 65.21 H new ATOM 166 N GLU A 12 29.637 -14.167 -0.997 1.00 13.11 N ATOM 167 CA GLU A 12 30.089 -15.419 -0.401 1.00 53.32 C ATOM 168 C GLU A 12 29.220 -15.797 0.795 1.00 75.24 C ATOM 169 O GLU A 12 29.660 -16.513 1.693 1.00 32.25 O ATOM 170 CB GLU A 12 31.551 -15.304 0.034 1.00 42.45 C ATOM 171 CG GLU A 12 32.442 -16.396 -0.533 1.00 45.11 C ATOM 172 CD GLU A 12 32.544 -17.600 0.383 1.00 1.22 C ATOM 173 OE1 GLU A 12 31.635 -18.455 0.343 1.00 63.20 O ATOM 174 OE2 GLU A 12 33.533 -17.686 1.141 1.00 65.35 O ATOM 0 H GLU A 12 29.286 -14.256 -1.950 1.00 13.11 H new ATOM 0 HA GLU A 12 30.002 -16.202 -1.154 1.00 53.32 H new ATOM 0 HB2 GLU A 12 31.938 -14.333 -0.276 1.00 42.45 H new ATOM 0 HB3 GLU A 12 31.601 -15.334 1.122 1.00 42.45 H new ATOM 0 HG2 GLU A 12 32.052 -16.712 -1.500 1.00 45.11 H new ATOM 0 HG3 GLU A 12 33.439 -15.992 -0.708 1.00 45.11 H new ATOM 181 N ALA A 13 27.983 -15.310 0.797 1.00 31.44 N ATOM 182 CA ALA A 13 27.051 -15.598 1.881 1.00 61.12 C ATOM 183 C ALA A 13 26.641 -17.067 1.877 1.00 51.24 C ATOM 184 O ALA A 13 26.094 -17.567 0.893 1.00 13.35 O ATOM 185 CB ALA A 13 25.824 -14.705 1.773 1.00 60.13 C ATOM 0 H ALA A 13 27.603 -14.715 0.061 1.00 31.44 H new ATOM 0 HA ALA A 13 27.555 -15.391 2.825 1.00 61.12 H new ATOM 0 HB1 ALA A 13 25.137 -14.931 2.588 1.00 60.13 H new ATOM 0 HB2 ALA A 13 26.128 -13.660 1.833 1.00 60.13 H new ATOM 0 HB3 ALA A 13 25.327 -14.884 0.820 1.00 60.13 H new ATOM 191 N LYS A 14 26.909 -17.754 2.981 1.00 23.44 N ATOM 192 CA LYS A 14 26.568 -19.166 3.106 1.00 30.43 C ATOM 193 C LYS A 14 25.077 -19.344 3.375 1.00 70.14 C ATOM 194 O LYS A 14 24.372 -18.382 3.681 1.00 41.22 O ATOM 195 CB LYS A 14 27.380 -19.811 4.232 1.00 11.00 C ATOM 196 CG LYS A 14 28.852 -19.980 3.900 1.00 64.10 C ATOM 197 CD LYS A 14 29.340 -21.382 4.224 1.00 75.50 C ATOM 198 CE LYS A 14 29.674 -21.529 5.700 1.00 20.15 C ATOM 199 NZ LYS A 14 31.032 -22.104 5.907 1.00 31.41 N ATOM 0 H LYS A 14 27.362 -17.356 3.804 1.00 23.44 H new ATOM 0 HA LYS A 14 26.811 -19.657 2.164 1.00 30.43 H new ATOM 0 HB2 LYS A 14 27.287 -19.202 5.131 1.00 11.00 H new ATOM 0 HB3 LYS A 14 26.954 -20.787 4.463 1.00 11.00 H new ATOM 0 HG2 LYS A 14 29.013 -19.773 2.842 1.00 64.10 H new ATOM 0 HG3 LYS A 14 29.438 -19.251 4.460 1.00 64.10 H new ATOM 0 HD2 LYS A 14 28.574 -22.107 3.949 1.00 75.50 H new ATOM 0 HD3 LYS A 14 30.223 -21.608 3.626 1.00 75.50 H new ATOM 0 HE2 LYS A 14 29.615 -20.554 6.185 1.00 20.15 H new ATOM 0 HE3 LYS A 14 28.932 -22.169 6.178 1.00 20.15 H new ATOM 0 HZ1 LYS A 14 31.222 -22.188 6.926 1.00 31.41 H new ATOM 0 HZ2 LYS A 14 31.081 -23.045 5.467 1.00 31.41 H new ATOM 0 HZ3 LYS A 14 31.743 -21.481 5.473 1.00 31.41 H new ATOM 213 N HIS A 15 24.603 -20.581 3.259 1.00 14.52 N ATOM 214 CA HIS A 15 23.195 -20.884 3.492 1.00 61.23 C ATOM 215 C HIS A 15 22.772 -20.460 4.895 1.00 43.21 C ATOM 216 O HIS A 15 23.273 -20.982 5.890 1.00 63.44 O ATOM 217 CB HIS A 15 22.935 -22.378 3.298 1.00 22.41 C ATOM 218 CG HIS A 15 22.633 -22.755 1.880 1.00 33.05 C ATOM 219 ND1 HIS A 15 22.326 -24.042 1.493 1.00 75.21 N ATOM 220 CD2 HIS A 15 22.590 -22.004 0.755 1.00 74.41 C ATOM 221 CE1 HIS A 15 22.108 -24.067 0.190 1.00 24.40 C ATOM 222 NE2 HIS A 15 22.262 -22.843 -0.282 1.00 31.33 N ATOM 0 H HIS A 15 25.172 -21.388 3.005 1.00 14.52 H new ATOM 0 HA HIS A 15 22.604 -20.322 2.769 1.00 61.23 H new ATOM 0 HB2 HIS A 15 23.808 -22.937 3.636 1.00 22.41 H new ATOM 0 HB3 HIS A 15 22.100 -22.678 3.931 1.00 22.41 H new ATOM 0 HD2 HIS A 15 22.778 -20.943 0.685 1.00 74.41 H new ATOM 0 HE1 HIS A 15 21.848 -24.940 -0.390 1.00 24.40 H new ATOM 0 HE2 HIS A 15 22.155 -22.566 -1.258 1.00 31.33 H new ATOM 230 N GLY A 16 21.847 -19.508 4.967 1.00 50.44 N ATOM 231 CA GLY A 16 21.373 -19.029 6.252 1.00 4.31 C ATOM 232 C GLY A 16 21.923 -17.659 6.599 1.00 61.30 C ATOM 233 O GLY A 16 21.745 -17.175 7.717 1.00 53.40 O ATOM 0 H GLY A 16 21.417 -19.060 4.158 1.00 50.44 H new ATOM 0 HA2 GLY A 16 20.284 -18.988 6.242 1.00 4.31 H new ATOM 0 HA3 GLY A 16 21.658 -19.739 7.029 1.00 4.31 H new ATOM 237 N THR A 17 22.596 -17.033 5.639 1.00 51.43 N ATOM 238 CA THR A 17 23.176 -15.712 5.849 1.00 61.33 C ATOM 239 C THR A 17 22.096 -14.637 5.890 1.00 61.43 C ATOM 240 O THR A 17 21.112 -14.703 5.152 1.00 23.13 O ATOM 241 CB THR A 17 24.191 -15.362 4.744 1.00 30.40 C ATOM 242 OG1 THR A 17 25.315 -16.247 4.813 1.00 75.52 O ATOM 243 CG2 THR A 17 24.664 -13.923 4.880 1.00 52.12 C ATOM 0 H THR A 17 22.753 -17.419 4.708 1.00 51.43 H new ATOM 0 HA THR A 17 23.691 -15.742 6.809 1.00 61.33 H new ATOM 0 HB THR A 17 23.698 -15.476 3.779 1.00 30.40 H new ATOM 0 HG1 THR A 17 25.011 -17.172 4.700 1.00 75.52 H new ATOM 0 HG21 THR A 17 25.380 -13.699 4.089 1.00 52.12 H new ATOM 0 HG22 THR A 17 23.810 -13.250 4.798 1.00 52.12 H new ATOM 0 HG23 THR A 17 25.141 -13.787 5.850 1.00 52.12 H new ATOM 251 N PHE A 18 22.286 -13.647 6.756 1.00 73.33 N ATOM 252 CA PHE A 18 21.327 -12.557 6.893 1.00 73.32 C ATOM 253 C PHE A 18 21.327 -11.673 5.649 1.00 30.12 C ATOM 254 O PHE A 18 22.383 -11.337 5.113 1.00 11.40 O ATOM 255 CB PHE A 18 21.651 -11.717 8.130 1.00 71.22 C ATOM 256 CG PHE A 18 20.980 -10.373 8.134 1.00 21.32 C ATOM 257 CD1 PHE A 18 19.605 -10.270 8.001 1.00 71.13 C ATOM 258 CD2 PHE A 18 21.725 -9.213 8.271 1.00 21.04 C ATOM 259 CE1 PHE A 18 18.984 -9.035 8.005 1.00 45.02 C ATOM 260 CE2 PHE A 18 21.110 -7.975 8.277 1.00 62.34 C ATOM 261 CZ PHE A 18 19.738 -7.886 8.142 1.00 64.01 C ATOM 0 H PHE A 18 23.095 -13.577 7.373 1.00 73.33 H new ATOM 0 HA PHE A 18 20.334 -12.992 7.008 1.00 73.32 H new ATOM 0 HB2 PHE A 18 21.350 -12.267 9.022 1.00 71.22 H new ATOM 0 HB3 PHE A 18 22.730 -11.576 8.191 1.00 71.22 H new ATOM 0 HD1 PHE A 18 19.011 -11.165 7.893 1.00 71.13 H new ATOM 0 HD2 PHE A 18 22.798 -9.277 8.374 1.00 21.04 H new ATOM 0 HE1 PHE A 18 17.911 -8.969 7.901 1.00 45.02 H new ATOM 0 HE2 PHE A 18 21.702 -7.078 8.387 1.00 62.34 H new ATOM 0 HZ PHE A 18 19.256 -6.920 8.144 1.00 64.01 H new ATOM 271 N VAL A 19 20.135 -11.300 5.195 1.00 35.41 N ATOM 272 CA VAL A 19 19.996 -10.455 4.015 1.00 33.03 C ATOM 273 C VAL A 19 19.183 -9.204 4.328 1.00 4.55 C ATOM 274 O VAL A 19 19.585 -8.090 3.993 1.00 21.04 O ATOM 275 CB VAL A 19 19.322 -11.214 2.857 1.00 61.41 C ATOM 276 CG1 VAL A 19 19.297 -10.358 1.600 1.00 12.01 C ATOM 277 CG2 VAL A 19 20.035 -12.533 2.599 1.00 21.20 C ATOM 0 H VAL A 19 19.251 -11.570 5.627 1.00 35.41 H new ATOM 0 HA VAL A 19 21.003 -10.166 3.713 1.00 33.03 H new ATOM 0 HB VAL A 19 18.292 -11.432 3.139 1.00 61.41 H new ATOM 0 HG11 VAL A 19 18.817 -10.911 0.793 1.00 12.01 H new ATOM 0 HG12 VAL A 19 18.739 -9.442 1.794 1.00 12.01 H new ATOM 0 HG13 VAL A 19 20.317 -10.106 1.311 1.00 12.01 H new ATOM 0 HG21 VAL A 19 19.546 -13.056 1.778 1.00 21.20 H new ATOM 0 HG22 VAL A 19 21.075 -12.339 2.337 1.00 21.20 H new ATOM 0 HG23 VAL A 19 19.996 -13.150 3.497 1.00 21.20 H new ATOM 287 N GLY A 20 18.037 -9.395 4.975 1.00 41.34 N ATOM 288 CA GLY A 20 17.186 -8.272 5.323 1.00 32.20 C ATOM 289 C GLY A 20 15.753 -8.691 5.588 1.00 64.31 C ATOM 290 O GLY A 20 15.140 -9.379 4.772 1.00 52.02 O ATOM 0 H GLY A 20 17.683 -10.307 5.264 1.00 41.34 H new ATOM 0 HA2 GLY A 20 17.586 -7.777 6.208 1.00 32.20 H new ATOM 0 HA3 GLY A 20 17.204 -7.542 4.514 1.00 32.20 H new ATOM 294 N ARG A 21 15.220 -8.278 6.733 1.00 54.34 N ATOM 295 CA ARG A 21 13.851 -8.617 7.104 1.00 2.10 C ATOM 296 C ARG A 21 12.890 -8.337 5.952 1.00 30.44 C ATOM 297 O ARG A 21 12.489 -7.195 5.729 1.00 45.32 O ATOM 298 CB ARG A 21 13.425 -7.825 8.342 1.00 71.33 C ATOM 299 CG ARG A 21 14.206 -8.187 9.595 1.00 75.13 C ATOM 300 CD ARG A 21 14.180 -7.058 10.613 1.00 53.33 C ATOM 301 NE ARG A 21 14.868 -5.866 10.125 1.00 4.33 N ATOM 302 CZ ARG A 21 16.189 -5.723 10.139 1.00 50.15 C ATOM 303 NH1 ARG A 21 16.959 -6.693 10.612 1.00 43.24 N ATOM 304 NH2 ARG A 21 16.742 -4.608 9.677 1.00 33.24 N ATOM 0 H ARG A 21 15.715 -7.709 7.420 1.00 54.34 H new ATOM 0 HA ARG A 21 13.816 -9.682 7.332 1.00 2.10 H new ATOM 0 HB2 ARG A 21 13.548 -6.761 8.142 1.00 71.33 H new ATOM 0 HB3 ARG A 21 12.364 -7.994 8.524 1.00 71.33 H new ATOM 0 HG2 ARG A 21 13.785 -9.089 10.039 1.00 75.13 H new ATOM 0 HG3 ARG A 21 15.238 -8.415 9.329 1.00 75.13 H new ATOM 0 HD2 ARG A 21 13.146 -6.808 10.851 1.00 53.33 H new ATOM 0 HD3 ARG A 21 14.648 -7.393 11.539 1.00 53.33 H new ATOM 0 HE ARG A 21 14.304 -5.102 9.753 1.00 4.33 H new ATOM 0 HH11 ARG A 21 16.538 -7.552 10.966 1.00 43.24 H new ATOM 0 HH12 ARG A 21 17.973 -6.581 10.622 1.00 43.24 H new ATOM 0 HH21 ARG A 21 16.153 -3.860 9.311 1.00 33.24 H new ATOM 0 HH22 ARG A 21 17.756 -4.499 9.688 1.00 33.24 H new ATOM 318 N ILE A 22 12.525 -9.388 5.225 1.00 11.22 N ATOM 319 CA ILE A 22 11.611 -9.255 4.098 1.00 72.14 C ATOM 320 C ILE A 22 10.202 -8.914 4.570 1.00 55.24 C ATOM 321 O ILE A 22 9.511 -8.101 3.957 1.00 55.33 O ATOM 322 CB ILE A 22 11.561 -10.546 3.259 1.00 55.33 C ATOM 323 CG1 ILE A 22 10.482 -10.436 2.179 1.00 63.24 C ATOM 324 CG2 ILE A 22 11.302 -11.749 4.153 1.00 71.00 C ATOM 325 CD1 ILE A 22 10.656 -11.427 1.049 1.00 51.01 C ATOM 0 H ILE A 22 12.848 -10.340 5.397 1.00 11.22 H new ATOM 0 HA ILE A 22 11.990 -8.443 3.478 1.00 72.14 H new ATOM 0 HB ILE A 22 12.526 -10.682 2.770 1.00 55.33 H new ATOM 0 HG12 ILE A 22 9.504 -10.587 2.637 1.00 63.24 H new ATOM 0 HG13 ILE A 22 10.490 -9.426 1.770 1.00 63.24 H new ATOM 0 HG21 ILE A 22 11.269 -12.653 3.546 1.00 71.00 H new ATOM 0 HG22 ILE A 22 12.102 -11.835 4.889 1.00 71.00 H new ATOM 0 HG23 ILE A 22 10.349 -11.622 4.666 1.00 71.00 H new ATOM 0 HD11 ILE A 22 9.857 -11.292 0.320 1.00 51.01 H new ATOM 0 HD12 ILE A 22 11.619 -11.262 0.566 1.00 51.01 H new ATOM 0 HD13 ILE A 22 10.618 -12.442 1.446 1.00 51.01 H new ATOM 337 N ALA A 23 9.782 -9.540 5.664 1.00 3.35 N ATOM 338 CA ALA A 23 8.457 -9.300 6.222 1.00 51.54 C ATOM 339 C ALA A 23 8.365 -7.909 6.840 1.00 4.24 C ATOM 340 O ALA A 23 7.357 -7.219 6.692 1.00 72.41 O ATOM 341 CB ALA A 23 8.119 -10.363 7.256 1.00 54.20 C ATOM 0 H ALA A 23 10.341 -10.218 6.182 1.00 3.35 H new ATOM 0 HA ALA A 23 7.732 -9.356 5.410 1.00 51.54 H new ATOM 0 HB1 ALA A 23 7.127 -10.171 7.664 1.00 54.20 H new ATOM 0 HB2 ALA A 23 8.134 -11.346 6.785 1.00 54.20 H new ATOM 0 HB3 ALA A 23 8.854 -10.335 8.060 1.00 54.20 H new ATOM 347 N GLN A 24 9.424 -7.504 7.534 1.00 2.03 N ATOM 348 CA GLN A 24 9.461 -6.195 8.177 1.00 63.54 C ATOM 349 C GLN A 24 9.330 -5.079 7.146 1.00 72.23 C ATOM 350 O GLN A 24 8.622 -4.096 7.368 1.00 64.35 O ATOM 351 CB GLN A 24 10.761 -6.027 8.965 1.00 64.43 C ATOM 352 CG GLN A 24 10.719 -4.890 9.973 1.00 61.42 C ATOM 353 CD GLN A 24 10.545 -5.379 11.397 1.00 31.51 C ATOM 354 OE1 GLN A 24 9.456 -5.796 11.794 1.00 63.42 O ATOM 355 NE2 GLN A 24 11.620 -5.331 12.176 1.00 74.14 N ATOM 0 H GLN A 24 10.267 -8.063 7.665 1.00 2.03 H new ATOM 0 HA GLN A 24 8.617 -6.131 8.864 1.00 63.54 H new ATOM 0 HB2 GLN A 24 10.982 -6.957 9.488 1.00 64.43 H new ATOM 0 HB3 GLN A 24 11.579 -5.852 8.267 1.00 64.43 H new ATOM 0 HG2 GLN A 24 11.640 -4.312 9.901 1.00 61.42 H new ATOM 0 HG3 GLN A 24 9.900 -4.217 9.721 1.00 61.42 H new ATOM 0 HE21 GLN A 24 12.503 -4.978 11.806 1.00 74.14 H new ATOM 0 HE22 GLN A 24 11.563 -5.647 13.144 1.00 74.14 H new ATOM 364 N ASP A 25 10.016 -5.237 6.019 1.00 34.51 N ATOM 365 CA ASP A 25 9.975 -4.243 4.953 1.00 31.12 C ATOM 366 C ASP A 25 8.659 -4.323 4.185 1.00 22.03 C ATOM 367 O ASP A 25 8.276 -3.382 3.489 1.00 11.35 O ATOM 368 CB ASP A 25 11.151 -4.442 3.996 1.00 3.11 C ATOM 369 CG ASP A 25 12.449 -3.887 4.550 1.00 32.34 C ATOM 370 OD1 ASP A 25 12.392 -2.920 5.338 1.00 54.13 O ATOM 371 OD2 ASP A 25 13.522 -4.420 4.196 1.00 35.23 O ATOM 0 H ASP A 25 10.607 -6.044 5.820 1.00 34.51 H new ATOM 0 HA ASP A 25 10.050 -3.255 5.408 1.00 31.12 H new ATOM 0 HB2 ASP A 25 11.272 -5.506 3.791 1.00 3.11 H new ATOM 0 HB3 ASP A 25 10.928 -3.957 3.046 1.00 3.11 H new ATOM 376 N LEU A 26 7.972 -5.453 4.315 1.00 2.52 N ATOM 377 CA LEU A 26 6.699 -5.656 3.633 1.00 60.43 C ATOM 378 C LEU A 26 5.543 -5.106 4.461 1.00 12.41 C ATOM 379 O LEU A 26 4.610 -4.509 3.924 1.00 30.45 O ATOM 380 CB LEU A 26 6.479 -7.145 3.355 1.00 2.44 C ATOM 381 CG LEU A 26 6.779 -7.613 1.931 1.00 31.42 C ATOM 382 CD1 LEU A 26 8.193 -7.224 1.528 1.00 74.55 C ATOM 383 CD2 LEU A 26 6.583 -9.118 1.813 1.00 42.14 C ATOM 0 H LEU A 26 8.275 -6.242 4.886 1.00 2.52 H new ATOM 0 HA LEU A 26 6.732 -5.116 2.687 1.00 60.43 H new ATOM 0 HB2 LEU A 26 7.100 -7.718 4.043 1.00 2.44 H new ATOM 0 HB3 LEU A 26 5.442 -7.388 3.585 1.00 2.44 H new ATOM 0 HG LEU A 26 6.082 -7.121 1.252 1.00 31.42 H new ATOM 0 HD11 LEU A 26 8.389 -7.565 0.511 1.00 74.55 H new ATOM 0 HD12 LEU A 26 8.299 -6.140 1.574 1.00 74.55 H new ATOM 0 HD13 LEU A 26 8.906 -7.687 2.210 1.00 74.55 H new ATOM 0 HD21 LEU A 26 6.801 -9.434 0.793 1.00 42.14 H new ATOM 0 HD22 LEU A 26 7.256 -9.628 2.502 1.00 42.14 H new ATOM 0 HD23 LEU A 26 5.552 -9.371 2.059 1.00 42.14 H new ATOM 395 N GLY A 27 5.612 -5.308 5.773 1.00 4.15 N ATOM 396 CA GLY A 27 4.567 -4.824 6.655 1.00 15.52 C ATOM 397 C GLY A 27 3.490 -5.862 6.903 1.00 41.40 C ATOM 398 O GLY A 27 2.303 -5.537 6.948 1.00 33.13 O ATOM 0 H GLY A 27 6.374 -5.799 6.241 1.00 4.15 H new ATOM 0 HA2 GLY A 27 5.008 -4.528 7.607 1.00 15.52 H new ATOM 0 HA3 GLY A 27 4.115 -3.932 6.222 1.00 15.52 H new ATOM 402 N LEU A 28 3.904 -7.114 7.062 1.00 13.11 N ATOM 403 CA LEU A 28 2.966 -8.204 7.305 1.00 73.40 C ATOM 404 C LEU A 28 3.452 -9.098 8.441 1.00 21.32 C ATOM 405 O LEU A 28 4.649 -9.349 8.577 1.00 2.41 O ATOM 406 CB LEU A 28 2.777 -9.034 6.033 1.00 0.35 C ATOM 407 CG LEU A 28 3.801 -8.801 4.922 1.00 23.02 C ATOM 408 CD1 LEU A 28 5.175 -9.292 5.351 1.00 2.24 C ATOM 409 CD2 LEU A 28 3.363 -9.492 3.639 1.00 33.24 C ATOM 0 H LEU A 28 4.883 -7.399 7.027 1.00 13.11 H new ATOM 0 HA LEU A 28 2.009 -7.769 7.594 1.00 73.40 H new ATOM 0 HB2 LEU A 28 2.799 -10.089 6.305 1.00 0.35 H new ATOM 0 HB3 LEU A 28 1.784 -8.829 5.633 1.00 0.35 H new ATOM 0 HG LEU A 28 3.864 -7.730 4.731 1.00 23.02 H new ATOM 0 HD11 LEU A 28 5.891 -9.118 4.548 1.00 2.24 H new ATOM 0 HD12 LEU A 28 5.492 -8.752 6.243 1.00 2.24 H new ATOM 0 HD13 LEU A 28 5.128 -10.359 5.570 1.00 2.24 H new ATOM 0 HD21 LEU A 28 4.104 -9.315 2.859 1.00 33.24 H new ATOM 0 HD22 LEU A 28 3.271 -10.564 3.816 1.00 33.24 H new ATOM 0 HD23 LEU A 28 2.400 -9.093 3.321 1.00 33.24 H new ATOM 421 N GLU A 29 2.515 -9.578 9.253 1.00 51.30 N ATOM 422 CA GLU A 29 2.849 -10.445 10.377 1.00 41.05 C ATOM 423 C GLU A 29 3.183 -11.854 9.896 1.00 74.34 C ATOM 424 O GLU A 29 2.571 -12.363 8.955 1.00 12.31 O ATOM 425 CB GLU A 29 1.689 -10.496 11.373 1.00 2.52 C ATOM 426 CG GLU A 29 1.929 -9.674 12.629 1.00 42.14 C ATOM 427 CD GLU A 29 1.582 -10.430 13.896 1.00 32.31 C ATOM 428 OE1 GLU A 29 2.059 -11.574 14.054 1.00 42.44 O ATOM 429 OE2 GLU A 29 0.833 -9.880 14.730 1.00 40.21 O ATOM 0 H GLU A 29 1.519 -9.381 9.153 1.00 51.30 H new ATOM 0 HA GLU A 29 3.727 -10.031 10.874 1.00 41.05 H new ATOM 0 HB2 GLU A 29 0.784 -10.138 10.882 1.00 2.52 H new ATOM 0 HB3 GLU A 29 1.510 -11.533 11.656 1.00 2.52 H new ATOM 0 HG2 GLU A 29 2.975 -9.371 12.666 1.00 42.14 H new ATOM 0 HG3 GLU A 29 1.335 -8.762 12.581 1.00 42.14 H new ATOM 436 N LEU A 30 4.157 -12.480 10.547 1.00 51.04 N ATOM 437 CA LEU A 30 4.573 -13.831 10.186 1.00 4.22 C ATOM 438 C LEU A 30 3.408 -14.808 10.300 1.00 61.52 C ATOM 439 O LEU A 30 3.391 -15.851 9.644 1.00 51.32 O ATOM 440 CB LEU A 30 5.726 -14.287 11.083 1.00 53.30 C ATOM 441 CG LEU A 30 6.828 -13.257 11.335 1.00 70.32 C ATOM 442 CD1 LEU A 30 7.944 -13.864 12.172 1.00 54.22 C ATOM 443 CD2 LEU A 30 7.375 -12.728 10.017 1.00 32.20 C ATOM 0 H LEU A 30 4.673 -12.074 11.327 1.00 51.04 H new ATOM 0 HA LEU A 30 4.910 -13.816 9.150 1.00 4.22 H new ATOM 0 HB2 LEU A 30 5.313 -14.591 12.045 1.00 53.30 H new ATOM 0 HB3 LEU A 30 6.179 -15.172 10.637 1.00 53.30 H new ATOM 0 HG LEU A 30 6.399 -12.422 11.889 1.00 70.32 H new ATOM 0 HD11 LEU A 30 8.719 -13.117 12.341 1.00 54.22 H new ATOM 0 HD12 LEU A 30 7.542 -14.194 13.130 1.00 54.22 H new ATOM 0 HD13 LEU A 30 8.371 -14.717 11.645 1.00 54.22 H new ATOM 0 HD21 LEU A 30 8.158 -11.996 10.216 1.00 32.20 H new ATOM 0 HD22 LEU A 30 7.788 -13.553 9.437 1.00 32.20 H new ATOM 0 HD23 LEU A 30 6.571 -12.255 9.453 1.00 32.20 H new ATOM 455 N THR A 31 2.433 -14.465 11.135 1.00 11.45 N ATOM 456 CA THR A 31 1.263 -15.311 11.334 1.00 1.44 C ATOM 457 C THR A 31 0.215 -15.062 10.256 1.00 71.12 C ATOM 458 O THR A 31 -0.870 -15.642 10.287 1.00 63.32 O ATOM 459 CB THR A 31 0.627 -15.073 12.717 1.00 73.30 C ATOM 460 OG1 THR A 31 1.616 -14.598 13.637 1.00 61.24 O ATOM 461 CG2 THR A 31 0.003 -16.353 13.252 1.00 35.23 C ATOM 0 H THR A 31 2.430 -13.606 11.685 1.00 11.45 H new ATOM 0 HA THR A 31 1.605 -16.344 11.272 1.00 1.44 H new ATOM 0 HB THR A 31 -0.156 -14.323 12.608 1.00 73.30 H new ATOM 0 HG1 THR A 31 1.618 -13.618 13.638 1.00 61.24 H new ATOM 0 HG21 THR A 31 -0.440 -16.161 14.229 1.00 35.23 H new ATOM 0 HG22 THR A 31 -0.770 -16.696 12.564 1.00 35.23 H new ATOM 0 HG23 THR A 31 0.771 -17.121 13.346 1.00 35.23 H new ATOM 469 N GLU A 32 0.547 -14.197 9.303 1.00 52.32 N ATOM 470 CA GLU A 32 -0.368 -13.872 8.214 1.00 23.24 C ATOM 471 C GLU A 32 0.177 -14.371 6.879 1.00 31.31 C ATOM 472 O GLU A 32 -0.567 -14.517 5.908 1.00 64.31 O ATOM 473 CB GLU A 32 -0.603 -12.362 8.149 1.00 2.33 C ATOM 474 CG GLU A 32 -2.070 -11.971 8.208 1.00 40.12 C ATOM 475 CD GLU A 32 -2.624 -11.992 9.619 1.00 25.44 C ATOM 476 OE1 GLU A 32 -1.824 -11.868 10.571 1.00 34.42 O ATOM 477 OE2 GLU A 32 -3.855 -12.133 9.772 1.00 23.34 O ATOM 0 H GLU A 32 1.442 -13.709 9.262 1.00 52.32 H new ATOM 0 HA GLU A 32 -1.317 -14.372 8.409 1.00 23.24 H new ATOM 0 HB2 GLU A 32 -0.075 -11.885 8.975 1.00 2.33 H new ATOM 0 HB3 GLU A 32 -0.169 -11.975 7.227 1.00 2.33 H new ATOM 0 HG2 GLU A 32 -2.193 -10.973 7.788 1.00 40.12 H new ATOM 0 HG3 GLU A 32 -2.649 -12.652 7.584 1.00 40.12 H new ATOM 484 N LEU A 33 1.479 -14.631 6.838 1.00 40.31 N ATOM 485 CA LEU A 33 2.125 -15.113 5.622 1.00 1.11 C ATOM 486 C LEU A 33 1.633 -16.511 5.262 1.00 61.12 C ATOM 487 O LEU A 33 1.362 -16.804 4.097 1.00 30.44 O ATOM 488 CB LEU A 33 3.645 -15.124 5.798 1.00 35.35 C ATOM 489 CG LEU A 33 4.366 -13.812 5.488 1.00 61.43 C ATOM 490 CD1 LEU A 33 3.877 -12.704 6.407 1.00 42.44 C ATOM 491 CD2 LEU A 33 5.872 -13.989 5.616 1.00 1.21 C ATOM 0 H LEU A 33 2.108 -14.516 7.633 1.00 40.31 H new ATOM 0 HA LEU A 33 1.865 -14.436 4.809 1.00 1.11 H new ATOM 0 HB2 LEU A 33 3.869 -15.404 6.827 1.00 35.35 H new ATOM 0 HB3 LEU A 33 4.059 -15.903 5.158 1.00 35.35 H new ATOM 0 HG LEU A 33 4.140 -13.529 4.460 1.00 61.43 H new ATOM 0 HD11 LEU A 33 4.401 -11.778 6.171 1.00 42.44 H new ATOM 0 HD12 LEU A 33 2.806 -12.560 6.266 1.00 42.44 H new ATOM 0 HD13 LEU A 33 4.073 -12.978 7.444 1.00 42.44 H new ATOM 0 HD21 LEU A 33 6.370 -13.045 5.392 1.00 1.21 H new ATOM 0 HD22 LEU A 33 6.117 -14.296 6.633 1.00 1.21 H new ATOM 0 HD23 LEU A 33 6.209 -14.753 4.915 1.00 1.21 H new ATOM 503 N VAL A 34 1.518 -17.370 6.270 1.00 60.34 N ATOM 504 CA VAL A 34 1.055 -18.737 6.060 1.00 42.11 C ATOM 505 C VAL A 34 -0.267 -18.759 5.301 1.00 64.04 C ATOM 506 O VAL A 34 -0.385 -19.352 4.228 1.00 40.52 O ATOM 507 CB VAL A 34 0.879 -19.481 7.397 1.00 60.11 C ATOM 508 CG1 VAL A 34 -0.232 -20.514 7.291 1.00 73.23 C ATOM 509 CG2 VAL A 34 2.187 -20.134 7.819 1.00 74.00 C ATOM 0 H VAL A 34 1.739 -17.144 7.240 1.00 60.34 H new ATOM 0 HA VAL A 34 1.818 -19.243 5.469 1.00 42.11 H new ATOM 0 HB VAL A 34 0.597 -18.757 8.162 1.00 60.11 H new ATOM 0 HG11 VAL A 34 -0.342 -21.030 8.245 1.00 73.23 H new ATOM 0 HG12 VAL A 34 -1.168 -20.017 7.037 1.00 73.23 H new ATOM 0 HG13 VAL A 34 0.017 -21.237 6.514 1.00 73.23 H new ATOM 0 HG21 VAL A 34 2.045 -20.655 8.766 1.00 74.00 H new ATOM 0 HG22 VAL A 34 2.501 -20.846 7.056 1.00 74.00 H new ATOM 0 HG23 VAL A 34 2.954 -19.369 7.938 1.00 74.00 H new ATOM 519 N PRO A 35 -1.286 -18.098 5.868 1.00 12.41 N ATOM 520 CA PRO A 35 -2.619 -18.025 5.261 1.00 25.32 C ATOM 521 C PRO A 35 -2.636 -17.168 4.001 1.00 45.45 C ATOM 522 O PRO A 35 -3.577 -17.229 3.209 1.00 2.24 O ATOM 523 CB PRO A 35 -3.473 -17.383 6.357 1.00 40.33 C ATOM 524 CG PRO A 35 -2.508 -16.600 7.179 1.00 34.12 C ATOM 525 CD PRO A 35 -1.217 -17.369 7.146 1.00 44.01 C ATOM 0 HA PRO A 35 -2.976 -19.004 4.942 1.00 25.32 H new ATOM 0 HB2 PRO A 35 -4.244 -16.740 5.932 1.00 40.33 H new ATOM 0 HB3 PRO A 35 -3.982 -18.138 6.956 1.00 40.33 H new ATOM 0 HG2 PRO A 35 -2.375 -15.597 6.774 1.00 34.12 H new ATOM 0 HG3 PRO A 35 -2.869 -16.486 8.201 1.00 34.12 H new ATOM 0 HD2 PRO A 35 -0.353 -16.705 7.184 1.00 44.01 H new ATOM 0 HD3 PRO A 35 -1.133 -18.050 7.993 1.00 44.01 H new ATOM 533 N ARG A 36 -1.589 -16.369 3.820 1.00 63.15 N ATOM 534 CA ARG A 36 -1.484 -15.498 2.655 1.00 73.41 C ATOM 535 C ARG A 36 -0.792 -16.216 1.500 1.00 72.13 C ATOM 536 O ARG A 36 -0.430 -15.597 0.498 1.00 30.50 O ATOM 537 CB ARG A 36 -0.716 -14.224 3.011 1.00 31.32 C ATOM 538 CG ARG A 36 -1.588 -13.136 3.615 1.00 14.10 C ATOM 539 CD ARG A 36 -0.754 -12.094 4.345 1.00 75.35 C ATOM 540 NE ARG A 36 -0.978 -10.749 3.821 1.00 71.51 N ATOM 541 CZ ARG A 36 -2.039 -10.010 4.123 1.00 34.13 C ATOM 542 NH1 ARG A 36 -2.969 -10.483 4.942 1.00 11.51 N ATOM 543 NH2 ARG A 36 -2.172 -8.795 3.607 1.00 71.13 N ATOM 0 H ARG A 36 -0.801 -16.307 4.465 1.00 63.15 H new ATOM 0 HA ARG A 36 -2.493 -15.230 2.341 1.00 73.41 H new ATOM 0 HB2 ARG A 36 0.078 -14.473 3.714 1.00 31.32 H new ATOM 0 HB3 ARG A 36 -0.236 -13.836 2.112 1.00 31.32 H new ATOM 0 HG2 ARG A 36 -2.167 -12.654 2.828 1.00 14.10 H new ATOM 0 HG3 ARG A 36 -2.302 -13.583 4.307 1.00 14.10 H new ATOM 0 HD2 ARG A 36 -0.997 -12.114 5.407 1.00 75.35 H new ATOM 0 HD3 ARG A 36 0.302 -12.347 4.255 1.00 75.35 H new ATOM 0 HE ARG A 36 -0.281 -10.356 3.188 1.00 71.51 H new ATOM 0 HH11 ARG A 36 -2.870 -11.416 5.341 1.00 11.51 H new ATOM 0 HH12 ARG A 36 -3.783 -9.913 5.172 1.00 11.51 H new ATOM 0 HH21 ARG A 36 -1.459 -8.427 2.977 1.00 71.13 H new ATOM 0 HH22 ARG A 36 -2.988 -8.228 3.840 1.00 71.13 H new ATOM 557 N LEU A 37 -0.611 -17.524 1.646 1.00 12.13 N ATOM 558 CA LEU A 37 0.038 -18.327 0.616 1.00 50.34 C ATOM 559 C LEU A 37 1.321 -17.659 0.133 1.00 5.30 C ATOM 560 O LEU A 37 1.495 -17.413 -1.061 1.00 13.32 O ATOM 561 CB LEU A 37 -0.912 -18.544 -0.563 1.00 51.45 C ATOM 562 CG LEU A 37 -1.900 -19.702 -0.425 1.00 33.21 C ATOM 563 CD1 LEU A 37 -1.159 -21.024 -0.298 1.00 2.10 C ATOM 564 CD2 LEU A 37 -2.814 -19.484 0.772 1.00 3.14 C ATOM 0 H LEU A 37 -0.905 -18.051 2.468 1.00 12.13 H new ATOM 0 HA LEU A 37 0.294 -19.293 1.051 1.00 50.34 H new ATOM 0 HB2 LEU A 37 -1.479 -17.626 -0.721 1.00 51.45 H new ATOM 0 HB3 LEU A 37 -0.314 -18.708 -1.460 1.00 51.45 H new ATOM 0 HG LEU A 37 -2.515 -19.738 -1.324 1.00 33.21 H new ATOM 0 HD11 LEU A 37 -1.879 -21.837 -0.201 1.00 2.10 H new ATOM 0 HD12 LEU A 37 -0.548 -21.185 -1.186 1.00 2.10 H new ATOM 0 HD13 LEU A 37 -0.519 -20.999 0.584 1.00 2.10 H new ATOM 0 HD21 LEU A 37 -3.511 -20.318 0.855 1.00 3.14 H new ATOM 0 HD22 LEU A 37 -2.215 -19.420 1.680 1.00 3.14 H new ATOM 0 HD23 LEU A 37 -3.372 -18.557 0.640 1.00 3.14 H new ATOM 576 N PHE A 38 2.220 -17.369 1.069 1.00 72.53 N ATOM 577 CA PHE A 38 3.489 -16.731 0.739 1.00 72.21 C ATOM 578 C PHE A 38 4.347 -17.645 -0.132 1.00 11.54 C ATOM 579 O PHE A 38 4.547 -18.816 0.189 1.00 63.23 O ATOM 580 CB PHE A 38 4.247 -16.365 2.016 1.00 22.44 C ATOM 581 CG PHE A 38 4.980 -15.058 1.925 1.00 40.52 C ATOM 582 CD1 PHE A 38 4.285 -13.859 1.897 1.00 61.22 C ATOM 583 CD2 PHE A 38 6.364 -15.027 1.866 1.00 1.52 C ATOM 584 CE1 PHE A 38 4.956 -12.654 1.813 1.00 44.11 C ATOM 585 CE2 PHE A 38 7.041 -13.824 1.783 1.00 72.43 C ATOM 586 CZ PHE A 38 6.336 -12.637 1.755 1.00 41.33 C ATOM 0 H PHE A 38 2.093 -17.566 2.062 1.00 72.53 H new ATOM 0 HA PHE A 38 3.275 -15.821 0.179 1.00 72.21 H new ATOM 0 HB2 PHE A 38 3.543 -16.320 2.847 1.00 22.44 H new ATOM 0 HB3 PHE A 38 4.960 -17.157 2.245 1.00 22.44 H new ATOM 0 HD1 PHE A 38 3.206 -13.867 1.941 1.00 61.22 H new ATOM 0 HD2 PHE A 38 6.920 -15.953 1.885 1.00 1.52 H new ATOM 0 HE1 PHE A 38 4.402 -11.727 1.793 1.00 44.11 H new ATOM 0 HE2 PHE A 38 8.120 -13.813 1.740 1.00 72.43 H new ATOM 0 HZ PHE A 38 6.863 -11.697 1.688 1.00 41.33 H new ATOM 596 N ARG A 39 4.850 -17.099 -1.234 1.00 64.31 N ATOM 597 CA ARG A 39 5.685 -17.864 -2.152 1.00 63.52 C ATOM 598 C ARG A 39 6.770 -16.983 -2.764 1.00 51.32 C ATOM 599 O ARG A 39 6.516 -15.838 -3.139 1.00 51.10 O ATOM 600 CB ARG A 39 4.829 -18.481 -3.260 1.00 24.41 C ATOM 601 CG ARG A 39 4.471 -19.938 -3.013 1.00 42.21 C ATOM 602 CD ARG A 39 5.487 -20.876 -3.645 1.00 62.23 C ATOM 603 NE ARG A 39 5.577 -22.147 -2.931 1.00 42.12 N ATOM 604 CZ ARG A 39 6.524 -23.051 -3.157 1.00 32.24 C ATOM 605 NH1 ARG A 39 7.457 -22.825 -4.071 1.00 74.44 N ATOM 606 NH2 ARG A 39 6.539 -24.184 -2.466 1.00 11.02 N ATOM 0 H ARG A 39 4.694 -16.130 -1.513 1.00 64.31 H new ATOM 0 HA ARG A 39 6.166 -18.662 -1.586 1.00 63.52 H new ATOM 0 HB2 ARG A 39 3.911 -17.902 -3.363 1.00 24.41 H new ATOM 0 HB3 ARG A 39 5.363 -18.402 -4.207 1.00 24.41 H new ATOM 0 HG2 ARG A 39 4.420 -20.124 -1.940 1.00 42.21 H new ATOM 0 HG3 ARG A 39 3.481 -20.145 -3.420 1.00 42.21 H new ATOM 0 HD2 ARG A 39 5.212 -21.062 -4.683 1.00 62.23 H new ATOM 0 HD3 ARG A 39 6.466 -20.396 -3.656 1.00 62.23 H new ATOM 0 HE ARG A 39 4.875 -22.352 -2.220 1.00 42.12 H new ATOM 0 HH11 ARG A 39 7.449 -21.955 -4.603 1.00 74.44 H new ATOM 0 HH12 ARG A 39 8.183 -23.521 -4.242 1.00 74.44 H new ATOM 0 HH21 ARG A 39 5.823 -24.361 -1.761 1.00 11.02 H new ATOM 0 HH22 ARG A 39 7.266 -24.878 -2.640 1.00 11.02 H new ATOM 620 N VAL A 40 7.980 -17.524 -2.862 1.00 2.33 N ATOM 621 CA VAL A 40 9.104 -16.787 -3.428 1.00 55.03 C ATOM 622 C VAL A 40 9.407 -17.253 -4.848 1.00 31.54 C ATOM 623 O VAL A 40 9.380 -18.449 -5.138 1.00 22.11 O ATOM 624 CB VAL A 40 10.370 -16.944 -2.566 1.00 62.42 C ATOM 625 CG1 VAL A 40 11.518 -16.134 -3.150 1.00 34.14 C ATOM 626 CG2 VAL A 40 10.091 -16.531 -1.129 1.00 51.42 C ATOM 0 H VAL A 40 8.207 -18.470 -2.557 1.00 2.33 H new ATOM 0 HA VAL A 40 8.816 -15.736 -3.447 1.00 55.03 H new ATOM 0 HB VAL A 40 10.661 -17.994 -2.567 1.00 62.42 H new ATOM 0 HG11 VAL A 40 12.404 -16.257 -2.527 1.00 34.14 H new ATOM 0 HG12 VAL A 40 11.733 -16.483 -4.160 1.00 34.14 H new ATOM 0 HG13 VAL A 40 11.241 -15.080 -3.182 1.00 34.14 H new ATOM 0 HG21 VAL A 40 10.997 -16.648 -0.534 1.00 51.42 H new ATOM 0 HG22 VAL A 40 9.774 -15.488 -1.105 1.00 51.42 H new ATOM 0 HG23 VAL A 40 9.302 -17.160 -0.716 1.00 51.42 H new ATOM 636 N ALA A 41 9.696 -16.301 -5.729 1.00 33.34 N ATOM 637 CA ALA A 41 10.007 -16.615 -7.118 1.00 11.43 C ATOM 638 C ALA A 41 11.082 -15.681 -7.663 1.00 64.33 C ATOM 639 O ALA A 41 11.146 -14.509 -7.294 1.00 1.12 O ATOM 640 CB ALA A 41 8.750 -16.531 -7.972 1.00 24.53 C ATOM 0 H ALA A 41 9.721 -15.306 -5.505 1.00 33.34 H new ATOM 0 HA ALA A 41 10.393 -17.634 -7.158 1.00 11.43 H new ATOM 0 HB1 ALA A 41 8.997 -16.768 -9.007 1.00 24.53 H new ATOM 0 HB2 ALA A 41 8.011 -17.243 -7.603 1.00 24.53 H new ATOM 0 HB3 ALA A 41 8.340 -15.522 -7.918 1.00 24.53 H new ATOM 646 N SER A 42 11.926 -16.209 -8.544 1.00 63.40 N ATOM 647 CA SER A 42 13.002 -15.424 -9.137 1.00 65.32 C ATOM 648 C SER A 42 13.077 -15.656 -10.643 1.00 41.44 C ATOM 649 O SER A 42 12.612 -16.676 -11.151 1.00 30.52 O ATOM 650 CB SER A 42 14.341 -15.782 -8.488 1.00 12.30 C ATOM 651 OG SER A 42 15.373 -15.857 -9.456 1.00 3.43 O ATOM 0 H SER A 42 11.885 -17.177 -8.863 1.00 63.40 H new ATOM 0 HA SER A 42 12.790 -14.370 -8.959 1.00 65.32 H new ATOM 0 HB2 SER A 42 14.596 -15.034 -7.737 1.00 12.30 H new ATOM 0 HB3 SER A 42 14.254 -16.737 -7.970 1.00 12.30 H new ATOM 0 HG SER A 42 15.561 -14.960 -9.804 1.00 3.43 H new ATOM 657 N LYS A 43 13.666 -14.700 -11.354 1.00 0.31 N ATOM 658 CA LYS A 43 13.804 -14.797 -12.802 1.00 62.11 C ATOM 659 C LYS A 43 15.136 -15.437 -13.180 1.00 22.32 C ATOM 660 O LYS A 43 15.206 -16.249 -14.103 1.00 31.35 O ATOM 661 CB LYS A 43 13.694 -13.410 -13.440 1.00 72.40 C ATOM 662 CG LYS A 43 14.743 -12.429 -12.948 1.00 2.05 C ATOM 663 CD LYS A 43 14.536 -11.046 -13.542 1.00 13.13 C ATOM 664 CE LYS A 43 15.033 -10.976 -14.977 1.00 42.24 C ATOM 665 NZ LYS A 43 13.909 -10.925 -15.952 1.00 54.52 N ATOM 0 H LYS A 43 14.056 -13.848 -10.950 1.00 0.31 H new ATOM 0 HA LYS A 43 12.998 -15.428 -13.177 1.00 62.11 H new ATOM 0 HB2 LYS A 43 13.781 -13.509 -14.522 1.00 72.40 H new ATOM 0 HB3 LYS A 43 12.704 -13.003 -13.236 1.00 72.40 H new ATOM 0 HG2 LYS A 43 14.704 -12.368 -11.860 1.00 2.05 H new ATOM 0 HG3 LYS A 43 15.736 -12.794 -13.211 1.00 2.05 H new ATOM 0 HD2 LYS A 43 13.477 -10.790 -13.510 1.00 13.13 H new ATOM 0 HD3 LYS A 43 15.061 -10.307 -12.937 1.00 13.13 H new ATOM 0 HE2 LYS A 43 15.661 -10.094 -15.101 1.00 42.24 H new ATOM 0 HE3 LYS A 43 15.657 -11.844 -15.188 1.00 42.24 H new ATOM 0 HZ1 LYS A 43 14.290 -10.878 -16.919 1.00 54.52 H new ATOM 0 HZ2 LYS A 43 13.323 -11.779 -15.852 1.00 54.52 H new ATOM 0 HZ3 LYS A 43 13.327 -10.083 -15.768 1.00 54.52 H new ATOM 679 N ASP A 44 16.190 -15.068 -12.460 1.00 50.22 N ATOM 680 CA ASP A 44 17.520 -15.608 -12.718 1.00 74.33 C ATOM 681 C ASP A 44 17.506 -17.133 -12.667 1.00 12.11 C ATOM 682 O ASP A 44 17.557 -17.799 -13.701 1.00 30.00 O ATOM 683 CB ASP A 44 18.522 -15.060 -11.702 1.00 23.55 C ATOM 684 CG ASP A 44 18.995 -13.663 -12.050 1.00 0.21 C ATOM 685 OD1 ASP A 44 18.138 -12.766 -12.196 1.00 62.44 O ATOM 686 OD2 ASP A 44 20.222 -13.465 -12.177 1.00 72.41 O ATOM 0 H ASP A 44 16.149 -14.397 -11.693 1.00 50.22 H new ATOM 0 HA ASP A 44 17.824 -15.299 -13.718 1.00 74.33 H new ATOM 0 HB2 ASP A 44 18.063 -15.049 -10.713 1.00 23.55 H new ATOM 0 HB3 ASP A 44 19.381 -15.728 -11.647 1.00 23.55 H new ATOM 691 N ARG A 45 17.437 -17.679 -11.457 1.00 44.50 N ATOM 692 CA ARG A 45 17.419 -19.124 -11.271 1.00 24.41 C ATOM 693 C ARG A 45 16.112 -19.573 -10.624 1.00 61.13 C ATOM 694 O ARG A 45 15.755 -20.749 -10.674 1.00 73.20 O ATOM 695 CB ARG A 45 18.604 -19.564 -10.409 1.00 3.21 C ATOM 696 CG ARG A 45 19.644 -20.372 -11.169 1.00 14.14 C ATOM 697 CD ARG A 45 21.056 -20.001 -10.745 1.00 23.32 C ATOM 698 NE ARG A 45 21.410 -18.642 -11.147 1.00 35.44 N ATOM 699 CZ ARG A 45 21.634 -18.283 -12.406 1.00 22.34 C ATOM 700 NH1 ARG A 45 21.542 -19.178 -13.380 1.00 44.41 N ATOM 701 NH2 ARG A 45 21.951 -17.027 -12.692 1.00 40.10 N ATOM 0 H ARG A 45 17.393 -17.142 -10.591 1.00 44.50 H new ATOM 0 HA ARG A 45 17.499 -19.592 -12.252 1.00 24.41 H new ATOM 0 HB2 ARG A 45 19.081 -18.681 -9.985 1.00 3.21 H new ATOM 0 HB3 ARG A 45 18.234 -20.158 -9.574 1.00 3.21 H new ATOM 0 HG2 ARG A 45 19.478 -21.435 -10.995 1.00 14.14 H new ATOM 0 HG3 ARG A 45 19.528 -20.202 -12.239 1.00 14.14 H new ATOM 0 HD2 ARG A 45 21.145 -20.094 -9.663 1.00 23.32 H new ATOM 0 HD3 ARG A 45 21.763 -20.705 -11.185 1.00 23.32 H new ATOM 0 HE ARG A 45 21.490 -17.930 -10.421 1.00 35.44 H new ATOM 0 HH11 ARG A 45 21.299 -20.145 -13.163 1.00 44.41 H new ATOM 0 HH12 ARG A 45 21.714 -18.900 -14.346 1.00 44.41 H new ATOM 0 HH21 ARG A 45 22.023 -16.336 -11.945 1.00 40.10 H new ATOM 0 HH22 ARG A 45 22.123 -16.752 -13.659 1.00 40.10 H new ATOM 715 N GLY A 46 15.403 -18.627 -10.017 1.00 13.42 N ATOM 716 CA GLY A 46 14.144 -18.944 -9.368 1.00 72.25 C ATOM 717 C GLY A 46 14.325 -19.356 -7.921 1.00 72.30 C ATOM 718 O GLY A 46 13.358 -19.418 -7.161 1.00 25.42 O ATOM 0 H GLY A 46 15.678 -17.646 -9.963 1.00 13.42 H new ATOM 0 HA2 GLY A 46 13.486 -18.077 -9.416 1.00 72.25 H new ATOM 0 HA3 GLY A 46 13.651 -19.749 -9.913 1.00 72.25 H new ATOM 722 N ASP A 47 15.565 -19.640 -7.539 1.00 61.12 N ATOM 723 CA ASP A 47 15.870 -20.049 -6.173 1.00 72.30 C ATOM 724 C ASP A 47 17.110 -19.329 -5.654 1.00 23.11 C ATOM 725 O ASP A 47 18.137 -19.954 -5.384 1.00 70.14 O ATOM 726 CB ASP A 47 16.078 -21.563 -6.106 1.00 21.02 C ATOM 727 CG ASP A 47 15.923 -22.107 -4.699 1.00 43.21 C ATOM 728 OD1 ASP A 47 15.217 -21.469 -3.891 1.00 51.32 O ATOM 729 OD2 ASP A 47 16.509 -23.170 -4.406 1.00 24.21 O ATOM 0 H ASP A 47 16.376 -19.595 -8.156 1.00 61.12 H new ATOM 0 HA ASP A 47 15.024 -19.778 -5.541 1.00 72.30 H new ATOM 0 HB2 ASP A 47 15.361 -22.055 -6.764 1.00 21.02 H new ATOM 0 HB3 ASP A 47 17.073 -21.807 -6.479 1.00 21.02 H new ATOM 734 N LEU A 48 17.009 -18.012 -5.517 1.00 2.32 N ATOM 735 CA LEU A 48 18.124 -17.205 -5.031 1.00 35.21 C ATOM 736 C LEU A 48 18.126 -17.141 -3.507 1.00 34.41 C ATOM 737 O LEU A 48 19.170 -17.288 -2.870 1.00 72.31 O ATOM 738 CB LEU A 48 18.048 -15.792 -5.612 1.00 34.22 C ATOM 739 CG LEU A 48 17.858 -15.698 -7.126 1.00 61.31 C ATOM 740 CD1 LEU A 48 17.161 -14.399 -7.497 1.00 40.43 C ATOM 741 CD2 LEU A 48 19.198 -15.810 -7.839 1.00 52.42 C ATOM 0 H LEU A 48 16.167 -17.479 -5.735 1.00 2.32 H new ATOM 0 HA LEU A 48 19.051 -17.676 -5.358 1.00 35.21 H new ATOM 0 HB2 LEU A 48 17.224 -15.266 -5.129 1.00 34.22 H new ATOM 0 HB3 LEU A 48 18.963 -15.262 -5.347 1.00 34.22 H new ATOM 0 HG LEU A 48 17.228 -16.528 -7.446 1.00 61.31 H new ATOM 0 HD11 LEU A 48 17.035 -14.350 -8.579 1.00 40.43 H new ATOM 0 HD12 LEU A 48 16.184 -14.360 -7.015 1.00 40.43 H new ATOM 0 HD13 LEU A 48 17.764 -13.554 -7.164 1.00 40.43 H new ATOM 0 HD21 LEU A 48 19.044 -15.741 -8.916 1.00 52.42 H new ATOM 0 HD22 LEU A 48 19.852 -15.001 -7.513 1.00 52.42 H new ATOM 0 HD23 LEU A 48 19.659 -16.768 -7.599 1.00 52.42 H new ATOM 753 N LEU A 49 16.950 -16.924 -2.928 1.00 2.34 N ATOM 754 CA LEU A 49 16.815 -16.843 -1.477 1.00 44.12 C ATOM 755 C LEU A 49 15.423 -17.282 -1.034 1.00 64.35 C ATOM 756 O LEU A 49 14.534 -17.483 -1.861 1.00 30.13 O ATOM 757 CB LEU A 49 17.088 -15.416 -0.999 1.00 4.14 C ATOM 758 CG LEU A 49 18.536 -14.937 -1.109 1.00 3.52 C ATOM 759 CD1 LEU A 49 18.791 -14.316 -2.474 1.00 33.22 C ATOM 760 CD2 LEU A 49 18.855 -13.942 -0.001 1.00 74.55 C ATOM 0 H LEU A 49 16.077 -16.801 -3.440 1.00 2.34 H new ATOM 0 HA LEU A 49 17.547 -17.516 -1.031 1.00 44.12 H new ATOM 0 HB2 LEU A 49 16.457 -14.736 -1.571 1.00 4.14 H new ATOM 0 HB3 LEU A 49 16.779 -15.338 0.043 1.00 4.14 H new ATOM 0 HG LEU A 49 19.193 -15.800 -0.996 1.00 3.52 H new ATOM 0 HD11 LEU A 49 19.827 -13.981 -2.534 1.00 33.22 H new ATOM 0 HD12 LEU A 49 18.604 -15.057 -3.251 1.00 33.22 H new ATOM 0 HD13 LEU A 49 18.125 -13.465 -2.616 1.00 33.22 H new ATOM 0 HD21 LEU A 49 19.890 -13.612 -0.095 1.00 74.55 H new ATOM 0 HD22 LEU A 49 18.191 -13.082 -0.082 1.00 74.55 H new ATOM 0 HD23 LEU A 49 18.713 -14.419 0.969 1.00 74.55 H new ATOM 772 N GLU A 50 15.243 -17.427 0.275 1.00 73.54 N ATOM 773 CA GLU A 50 13.958 -17.842 0.826 1.00 0.43 C ATOM 774 C GLU A 50 13.660 -17.101 2.127 1.00 25.11 C ATOM 775 O GLU A 50 14.573 -16.674 2.834 1.00 22.02 O ATOM 776 CB GLU A 50 13.946 -19.352 1.072 1.00 4.22 C ATOM 777 CG GLU A 50 13.373 -20.152 -0.085 1.00 65.50 C ATOM 778 CD GLU A 50 13.003 -21.568 0.312 1.00 31.20 C ATOM 779 OE1 GLU A 50 13.549 -22.063 1.321 1.00 52.05 O ATOM 780 OE2 GLU A 50 12.168 -22.181 -0.385 1.00 71.31 O ATOM 0 H GLU A 50 15.969 -17.264 0.973 1.00 73.54 H new ATOM 0 HA GLU A 50 13.183 -17.594 0.100 1.00 0.43 H new ATOM 0 HB2 GLU A 50 14.965 -19.688 1.266 1.00 4.22 H new ATOM 0 HB3 GLU A 50 13.365 -19.561 1.970 1.00 4.22 H new ATOM 0 HG2 GLU A 50 12.489 -19.644 -0.471 1.00 65.50 H new ATOM 0 HG3 GLU A 50 14.101 -20.184 -0.895 1.00 65.50 H new ATOM 787 N VAL A 51 12.376 -16.952 2.436 1.00 61.21 N ATOM 788 CA VAL A 51 11.957 -16.264 3.651 1.00 31.21 C ATOM 789 C VAL A 51 11.510 -17.257 4.718 1.00 13.02 C ATOM 790 O VAL A 51 10.851 -18.251 4.418 1.00 32.40 O ATOM 791 CB VAL A 51 10.808 -15.278 3.370 1.00 50.24 C ATOM 792 CG1 VAL A 51 9.708 -15.954 2.565 1.00 45.11 C ATOM 793 CG2 VAL A 51 10.258 -14.715 4.672 1.00 60.53 C ATOM 0 H VAL A 51 11.608 -17.299 1.861 1.00 61.21 H new ATOM 0 HA VAL A 51 12.822 -15.709 4.014 1.00 31.21 H new ATOM 0 HB VAL A 51 11.200 -14.450 2.780 1.00 50.24 H new ATOM 0 HG11 VAL A 51 8.905 -15.242 2.376 1.00 45.11 H new ATOM 0 HG12 VAL A 51 10.114 -16.303 1.616 1.00 45.11 H new ATOM 0 HG13 VAL A 51 9.316 -16.803 3.126 1.00 45.11 H new ATOM 0 HG21 VAL A 51 9.447 -14.020 4.454 1.00 60.53 H new ATOM 0 HG22 VAL A 51 9.882 -15.530 5.290 1.00 60.53 H new ATOM 0 HG23 VAL A 51 11.051 -14.191 5.206 1.00 60.53 H new ATOM 803 N ASN A 52 11.873 -16.979 5.966 1.00 33.23 N ATOM 804 CA ASN A 52 11.509 -17.848 7.080 1.00 74.25 C ATOM 805 C ASN A 52 10.411 -17.214 7.929 1.00 42.35 C ATOM 806 O ASN A 52 10.597 -16.139 8.500 1.00 12.44 O ATOM 807 CB ASN A 52 12.734 -18.142 7.947 1.00 45.43 C ATOM 808 CG ASN A 52 12.664 -19.506 8.605 1.00 12.22 C ATOM 809 OD1 ASN A 52 12.845 -19.633 9.816 1.00 22.02 O ATOM 810 ND2 ASN A 52 12.399 -20.534 7.808 1.00 21.40 N ATOM 0 H ASN A 52 12.419 -16.159 6.231 1.00 33.23 H new ATOM 0 HA ASN A 52 11.131 -18.784 6.669 1.00 74.25 H new ATOM 0 HB2 ASN A 52 13.633 -18.084 7.333 1.00 45.43 H new ATOM 0 HB3 ASN A 52 12.824 -17.375 8.716 1.00 45.43 H new ATOM 0 HD21 ASN A 52 12.338 -21.476 8.194 1.00 21.40 H new ATOM 0 HD22 ASN A 52 12.256 -20.382 6.810 1.00 21.40 H new ATOM 817 N LEU A 53 9.268 -17.886 8.007 1.00 63.21 N ATOM 818 CA LEU A 53 8.140 -17.389 8.787 1.00 61.31 C ATOM 819 C LEU A 53 8.480 -17.352 10.273 1.00 2.24 C ATOM 820 O LEU A 53 7.765 -16.741 11.068 1.00 64.35 O ATOM 821 CB LEU A 53 6.909 -18.267 8.556 1.00 71.12 C ATOM 822 CG LEU A 53 6.658 -18.704 7.112 1.00 34.32 C ATOM 823 CD1 LEU A 53 6.961 -20.185 6.942 1.00 5.33 C ATOM 824 CD2 LEU A 53 5.223 -18.402 6.706 1.00 73.44 C ATOM 0 H LEU A 53 9.098 -18.777 7.540 1.00 63.21 H new ATOM 0 HA LEU A 53 7.922 -16.373 8.458 1.00 61.31 H new ATOM 0 HB2 LEU A 53 7.003 -19.160 9.174 1.00 71.12 H new ATOM 0 HB3 LEU A 53 6.031 -17.727 8.909 1.00 71.12 H new ATOM 0 HG LEU A 53 7.326 -18.140 6.461 1.00 34.32 H new ATOM 0 HD11 LEU A 53 6.777 -20.478 5.908 1.00 5.33 H new ATOM 0 HD12 LEU A 53 8.005 -20.374 7.192 1.00 5.33 H new ATOM 0 HD13 LEU A 53 6.319 -20.766 7.604 1.00 5.33 H new ATOM 0 HD21 LEU A 53 5.062 -18.719 5.676 1.00 73.44 H new ATOM 0 HD22 LEU A 53 4.538 -18.939 7.362 1.00 73.44 H new ATOM 0 HD23 LEU A 53 5.039 -17.331 6.789 1.00 73.44 H new ATOM 836 N GLN A 54 9.577 -18.007 10.641 1.00 52.21 N ATOM 837 CA GLN A 54 10.012 -18.047 12.032 1.00 40.50 C ATOM 838 C GLN A 54 10.090 -16.641 12.618 1.00 4.22 C ATOM 839 O GLN A 54 9.408 -16.325 13.592 1.00 71.12 O ATOM 840 CB GLN A 54 11.374 -18.735 12.143 1.00 54.21 C ATOM 841 CG GLN A 54 11.838 -18.937 13.576 1.00 20.22 C ATOM 842 CD GLN A 54 11.445 -20.292 14.131 1.00 14.13 C ATOM 843 OE1 GLN A 54 11.561 -21.312 13.451 1.00 13.13 O ATOM 844 NE2 GLN A 54 10.976 -20.309 15.374 1.00 71.54 N ATOM 0 H GLN A 54 10.180 -18.517 9.995 1.00 52.21 H new ATOM 0 HA GLN A 54 9.277 -18.618 12.600 1.00 40.50 H new ATOM 0 HB2 GLN A 54 11.324 -19.704 11.646 1.00 54.21 H new ATOM 0 HB3 GLN A 54 12.116 -18.141 11.610 1.00 54.21 H new ATOM 0 HG2 GLN A 54 12.922 -18.830 13.621 1.00 20.22 H new ATOM 0 HG3 GLN A 54 11.414 -18.154 14.205 1.00 20.22 H new ATOM 0 HE21 GLN A 54 10.897 -19.439 15.901 1.00 71.54 H new ATOM 0 HE22 GLN A 54 10.695 -21.192 15.801 1.00 71.54 H new ATOM 853 N ASN A 55 10.928 -15.801 12.019 1.00 53.35 N ATOM 854 CA ASN A 55 11.096 -14.428 12.482 1.00 31.22 C ATOM 855 C ASN A 55 10.888 -13.439 11.340 1.00 41.33 C ATOM 856 O ASN A 55 10.984 -12.227 11.529 1.00 41.12 O ATOM 857 CB ASN A 55 12.488 -14.240 13.088 1.00 1.42 C ATOM 858 CG ASN A 55 12.434 -13.865 14.557 1.00 55.24 C ATOM 859 OD1 ASN A 55 11.989 -12.774 14.914 1.00 13.11 O ATOM 860 ND2 ASN A 55 12.887 -14.770 15.415 1.00 24.25 N ATOM 0 H ASN A 55 11.501 -16.047 11.212 1.00 53.35 H new ATOM 0 HA ASN A 55 10.344 -14.234 13.247 1.00 31.22 H new ATOM 0 HB2 ASN A 55 13.059 -15.161 12.972 1.00 1.42 H new ATOM 0 HB3 ASN A 55 13.019 -13.464 12.537 1.00 1.42 H new ATOM 0 HD21 ASN A 55 12.875 -14.574 16.416 1.00 24.25 H new ATOM 0 HD22 ASN A 55 13.247 -15.661 15.074 1.00 24.25 H new ATOM 867 N GLY A 56 10.602 -13.965 10.153 1.00 60.14 N ATOM 868 CA GLY A 56 10.385 -13.115 8.997 1.00 53.31 C ATOM 869 C GLY A 56 11.682 -12.691 8.337 1.00 53.40 C ATOM 870 O GLY A 56 11.670 -12.026 7.300 1.00 10.15 O ATOM 0 H GLY A 56 10.517 -14.965 9.971 1.00 60.14 H new ATOM 0 HA2 GLY A 56 9.768 -13.645 8.271 1.00 53.31 H new ATOM 0 HA3 GLY A 56 9.829 -12.228 9.301 1.00 53.31 H new ATOM 874 N ILE A 57 12.803 -13.074 8.939 1.00 53.23 N ATOM 875 CA ILE A 57 14.113 -12.728 8.403 1.00 64.33 C ATOM 876 C ILE A 57 14.368 -13.434 7.075 1.00 31.01 C ATOM 877 O ILE A 57 13.885 -14.544 6.847 1.00 51.13 O ATOM 878 CB ILE A 57 15.239 -13.093 9.389 1.00 52.31 C ATOM 879 CG1 ILE A 57 16.574 -12.523 8.906 1.00 1.51 C ATOM 880 CG2 ILE A 57 15.330 -14.602 9.554 1.00 20.32 C ATOM 881 CD1 ILE A 57 16.562 -11.020 8.731 1.00 74.11 C ATOM 0 H ILE A 57 12.830 -13.624 9.798 1.00 53.23 H new ATOM 0 HA ILE A 57 14.114 -11.650 8.245 1.00 64.33 H new ATOM 0 HB ILE A 57 15.008 -12.654 10.360 1.00 52.31 H new ATOM 0 HG12 ILE A 57 17.354 -12.791 9.619 1.00 1.51 H new ATOM 0 HG13 ILE A 57 16.836 -12.989 7.956 1.00 1.51 H new ATOM 0 HG21 ILE A 57 16.130 -14.844 10.254 1.00 20.32 H new ATOM 0 HG22 ILE A 57 14.384 -14.984 9.938 1.00 20.32 H new ATOM 0 HG23 ILE A 57 15.541 -15.062 8.588 1.00 20.32 H new ATOM 0 HD11 ILE A 57 17.541 -10.686 8.387 1.00 74.11 H new ATOM 0 HD12 ILE A 57 15.806 -10.745 7.996 1.00 74.11 H new ATOM 0 HD13 ILE A 57 16.331 -10.545 9.684 1.00 74.11 H new ATOM 893 N LEU A 58 15.131 -12.784 6.203 1.00 75.32 N ATOM 894 CA LEU A 58 15.452 -13.350 4.897 1.00 31.01 C ATOM 895 C LEU A 58 16.837 -13.989 4.906 1.00 11.04 C ATOM 896 O LEU A 58 17.835 -13.328 5.195 1.00 70.24 O ATOM 897 CB LEU A 58 15.385 -12.267 3.819 1.00 12.44 C ATOM 898 CG LEU A 58 14.912 -12.722 2.438 1.00 11.14 C ATOM 899 CD1 LEU A 58 15.896 -13.713 1.837 1.00 31.43 C ATOM 900 CD2 LEU A 58 13.521 -13.334 2.526 1.00 64.11 C ATOM 0 H LEU A 58 15.539 -11.865 6.376 1.00 75.32 H new ATOM 0 HA LEU A 58 14.717 -14.123 4.673 1.00 31.01 H new ATOM 0 HB2 LEU A 58 14.719 -11.477 4.167 1.00 12.44 H new ATOM 0 HB3 LEU A 58 16.376 -11.825 3.714 1.00 12.44 H new ATOM 0 HG LEU A 58 14.863 -11.850 1.786 1.00 11.14 H new ATOM 0 HD11 LEU A 58 15.543 -14.026 0.854 1.00 31.43 H new ATOM 0 HD12 LEU A 58 16.873 -13.241 1.738 1.00 31.43 H new ATOM 0 HD13 LEU A 58 15.978 -14.584 2.487 1.00 31.43 H new ATOM 0 HD21 LEU A 58 13.200 -13.652 1.534 1.00 64.11 H new ATOM 0 HD22 LEU A 58 13.544 -14.195 3.194 1.00 64.11 H new ATOM 0 HD23 LEU A 58 12.821 -12.593 2.913 1.00 64.11 H new ATOM 912 N PHE A 59 16.890 -15.278 4.587 1.00 4.13 N ATOM 913 CA PHE A 59 18.153 -16.006 4.558 1.00 64.34 C ATOM 914 C PHE A 59 18.562 -16.328 3.123 1.00 20.11 C ATOM 915 O PHE A 59 17.716 -16.458 2.239 1.00 55.44 O ATOM 916 CB PHE A 59 18.041 -17.298 5.370 1.00 74.23 C ATOM 917 CG PHE A 59 16.918 -18.191 4.923 1.00 1.24 C ATOM 918 CD1 PHE A 59 15.640 -18.024 5.431 1.00 75.43 C ATOM 919 CD2 PHE A 59 17.141 -19.196 3.996 1.00 4.21 C ATOM 920 CE1 PHE A 59 14.605 -18.845 5.022 1.00 2.12 C ATOM 921 CE2 PHE A 59 16.111 -20.019 3.583 1.00 33.35 C ATOM 922 CZ PHE A 59 14.841 -19.843 4.097 1.00 53.24 C ATOM 0 H PHE A 59 16.074 -15.840 4.345 1.00 4.13 H new ATOM 0 HA PHE A 59 18.920 -15.371 5.003 1.00 64.34 H new ATOM 0 HB2 PHE A 59 18.981 -17.846 5.298 1.00 74.23 H new ATOM 0 HB3 PHE A 59 17.898 -17.046 6.421 1.00 74.23 H new ATOM 0 HD1 PHE A 59 15.450 -17.245 6.154 1.00 75.43 H new ATOM 0 HD2 PHE A 59 18.132 -19.338 3.591 1.00 4.21 H new ATOM 0 HE1 PHE A 59 13.613 -18.706 5.426 1.00 2.12 H new ATOM 0 HE2 PHE A 59 16.298 -20.799 2.860 1.00 33.35 H new ATOM 0 HZ PHE A 59 14.034 -20.485 3.776 1.00 53.24 H new ATOM 932 N VAL A 60 19.866 -16.455 2.900 1.00 23.20 N ATOM 933 CA VAL A 60 20.389 -16.762 1.574 1.00 73.31 C ATOM 934 C VAL A 60 20.262 -18.250 1.264 1.00 13.40 C ATOM 935 O VAL A 60 20.420 -19.093 2.145 1.00 24.22 O ATOM 936 CB VAL A 60 21.866 -16.346 1.442 1.00 32.03 C ATOM 937 CG1 VAL A 60 22.335 -16.491 0.003 1.00 64.21 C ATOM 938 CG2 VAL A 60 22.063 -14.920 1.935 1.00 70.41 C ATOM 0 H VAL A 60 20.580 -16.350 3.621 1.00 23.20 H new ATOM 0 HA VAL A 60 19.794 -16.192 0.860 1.00 73.31 H new ATOM 0 HB VAL A 60 22.469 -17.008 2.063 1.00 32.03 H new ATOM 0 HG11 VAL A 60 23.381 -16.193 -0.071 1.00 64.21 H new ATOM 0 HG12 VAL A 60 22.231 -17.530 -0.311 1.00 64.21 H new ATOM 0 HG13 VAL A 60 21.730 -15.855 -0.643 1.00 64.21 H new ATOM 0 HG21 VAL A 60 23.112 -14.642 1.835 1.00 70.41 H new ATOM 0 HG22 VAL A 60 21.450 -14.242 1.342 1.00 70.41 H new ATOM 0 HG23 VAL A 60 21.768 -14.853 2.982 1.00 70.41 H new ATOM 948 N ASN A 61 19.975 -18.564 0.005 1.00 53.31 N ATOM 949 CA ASN A 61 19.826 -19.950 -0.422 1.00 62.32 C ATOM 950 C ASN A 61 20.255 -20.120 -1.876 1.00 73.45 C ATOM 951 O ASN A 61 19.528 -20.697 -2.685 1.00 54.12 O ATOM 952 CB ASN A 61 18.376 -20.406 -0.249 1.00 61.54 C ATOM 953 CG ASN A 61 18.262 -21.904 -0.039 1.00 2.02 C ATOM 954 OD1 ASN A 61 19.260 -22.624 -0.069 1.00 5.11 O ATOM 955 ND2 ASN A 61 17.041 -22.380 0.176 1.00 62.05 N ATOM 0 H ASN A 61 19.841 -17.877 -0.737 1.00 53.31 H new ATOM 0 HA ASN A 61 20.471 -20.568 0.203 1.00 62.32 H new ATOM 0 HB2 ASN A 61 17.934 -19.888 0.602 1.00 61.54 H new ATOM 0 HB3 ASN A 61 17.801 -20.120 -1.130 1.00 61.54 H new ATOM 0 HD21 ASN A 61 16.902 -23.380 0.325 1.00 62.05 H new ATOM 0 HD22 ASN A 61 16.242 -21.746 0.192 1.00 62.05 H new ATOM 962 N SER A 62 21.440 -19.615 -2.201 1.00 44.03 N ATOM 963 CA SER A 62 21.965 -19.708 -3.559 1.00 1.13 C ATOM 964 C SER A 62 23.443 -19.332 -3.597 1.00 22.13 C ATOM 965 O SER A 62 24.010 -18.896 -2.595 1.00 11.33 O ATOM 966 CB SER A 62 21.171 -18.798 -4.498 1.00 45.13 C ATOM 967 OG SER A 62 21.600 -18.952 -5.840 1.00 71.42 O ATOM 0 H SER A 62 22.055 -19.137 -1.543 1.00 44.03 H new ATOM 0 HA SER A 62 21.862 -20.741 -3.892 1.00 1.13 H new ATOM 0 HB2 SER A 62 20.109 -19.031 -4.423 1.00 45.13 H new ATOM 0 HB3 SER A 62 21.292 -17.759 -4.191 1.00 45.13 H new ATOM 0 HG SER A 62 21.076 -18.361 -6.421 1.00 71.42 H new ATOM 973 N ARG A 63 24.062 -19.505 -4.760 1.00 75.14 N ATOM 974 CA ARG A 63 25.474 -19.186 -4.930 1.00 11.20 C ATOM 975 C ARG A 63 25.704 -17.680 -4.849 1.00 42.41 C ATOM 976 O ARG A 63 25.254 -16.926 -5.712 1.00 50.25 O ATOM 977 CB ARG A 63 25.982 -19.719 -6.271 1.00 13.11 C ATOM 978 CG ARG A 63 25.627 -21.175 -6.521 1.00 74.42 C ATOM 979 CD ARG A 63 26.872 -22.030 -6.700 1.00 52.31 C ATOM 980 NE ARG A 63 26.676 -23.082 -7.694 1.00 52.52 N ATOM 981 CZ ARG A 63 27.492 -24.120 -7.836 1.00 10.10 C ATOM 982 NH1 ARG A 63 28.553 -24.245 -7.051 1.00 65.15 N ATOM 983 NH2 ARG A 63 27.247 -25.036 -8.764 1.00 33.32 N ATOM 0 H ARG A 63 23.607 -19.865 -5.599 1.00 75.14 H new ATOM 0 HA ARG A 63 26.029 -19.665 -4.123 1.00 11.20 H new ATOM 0 HB2 ARG A 63 25.568 -19.110 -7.075 1.00 13.11 H new ATOM 0 HB3 ARG A 63 27.065 -19.606 -6.310 1.00 13.11 H new ATOM 0 HG2 ARG A 63 25.040 -21.556 -5.685 1.00 74.42 H new ATOM 0 HG3 ARG A 63 25.002 -21.250 -7.411 1.00 74.42 H new ATOM 0 HD2 ARG A 63 27.706 -21.397 -7.002 1.00 52.31 H new ATOM 0 HD3 ARG A 63 27.143 -22.480 -5.745 1.00 52.31 H new ATOM 0 HE ARG A 63 25.868 -23.016 -8.313 1.00 52.52 H new ATOM 0 HH11 ARG A 63 28.744 -23.543 -6.336 1.00 65.15 H new ATOM 0 HH12 ARG A 63 29.178 -25.043 -7.162 1.00 65.15 H new ATOM 0 HH21 ARG A 63 26.431 -24.943 -9.369 1.00 33.32 H new ATOM 0 HH22 ARG A 63 27.874 -25.833 -8.872 1.00 33.32 H new ATOM 997 N ILE A 64 26.407 -17.249 -3.807 1.00 41.10 N ATOM 998 CA ILE A 64 26.697 -15.834 -3.614 1.00 43.53 C ATOM 999 C ILE A 64 28.168 -15.533 -3.882 1.00 40.51 C ATOM 1000 O ILE A 64 28.548 -14.381 -4.092 1.00 3.51 O ATOM 1001 CB ILE A 64 26.343 -15.375 -2.187 1.00 73.34 C ATOM 1002 CG1 ILE A 64 24.986 -15.945 -1.768 1.00 11.41 C ATOM 1003 CG2 ILE A 64 26.334 -13.856 -2.106 1.00 31.23 C ATOM 1004 CD1 ILE A 64 23.854 -15.551 -2.691 1.00 30.11 C ATOM 0 H ILE A 64 26.786 -17.860 -3.083 1.00 41.10 H new ATOM 0 HA ILE A 64 26.080 -15.286 -4.326 1.00 43.53 H new ATOM 0 HB ILE A 64 27.102 -15.751 -1.501 1.00 73.34 H new ATOM 0 HG12 ILE A 64 25.053 -17.032 -1.732 1.00 11.41 H new ATOM 0 HG13 ILE A 64 24.755 -15.607 -0.758 1.00 11.41 H new ATOM 0 HG21 ILE A 64 26.082 -13.547 -1.091 1.00 31.23 H new ATOM 0 HG22 ILE A 64 27.320 -13.472 -2.368 1.00 31.23 H new ATOM 0 HG23 ILE A 64 25.594 -13.459 -2.800 1.00 31.23 H new ATOM 0 HD11 ILE A 64 22.923 -15.990 -2.333 1.00 30.11 H new ATOM 0 HD12 ILE A 64 23.760 -14.465 -2.708 1.00 30.11 H new ATOM 0 HD13 ILE A 64 24.063 -15.913 -3.698 1.00 30.11 H new ATOM 1016 N ASP A 65 28.990 -16.576 -3.875 1.00 44.20 N ATOM 1017 CA ASP A 65 30.420 -16.424 -4.120 1.00 71.23 C ATOM 1018 C ASP A 65 30.673 -15.781 -5.480 1.00 52.03 C ATOM 1019 O ASP A 65 29.936 -16.019 -6.437 1.00 73.22 O ATOM 1020 CB ASP A 65 31.119 -17.783 -4.047 1.00 14.20 C ATOM 1021 CG ASP A 65 32.628 -17.655 -3.984 1.00 71.05 C ATOM 1022 OD1 ASP A 65 33.117 -16.545 -3.688 1.00 62.13 O ATOM 1023 OD2 ASP A 65 33.320 -18.665 -4.233 1.00 10.23 O ATOM 0 H ASP A 65 28.691 -17.536 -3.702 1.00 44.20 H new ATOM 0 HA ASP A 65 30.828 -15.772 -3.348 1.00 71.23 H new ATOM 0 HB2 ASP A 65 30.766 -18.323 -3.168 1.00 14.20 H new ATOM 0 HB3 ASP A 65 30.844 -18.377 -4.918 1.00 14.20 H new ATOM 1028 N ARG A 66 31.718 -14.964 -5.558 1.00 24.43 N ATOM 1029 CA ARG A 66 32.067 -14.285 -6.800 1.00 31.03 C ATOM 1030 C ARG A 66 32.084 -15.265 -7.969 1.00 72.02 C ATOM 1031 O ARG A 66 31.859 -14.880 -9.116 1.00 62.53 O ATOM 1032 CB ARG A 66 33.432 -13.607 -6.669 1.00 52.43 C ATOM 1033 CG ARG A 66 34.602 -14.574 -6.735 1.00 72.54 C ATOM 1034 CD ARG A 66 35.921 -13.874 -6.451 1.00 42.23 C ATOM 1035 NE ARG A 66 36.704 -13.667 -7.667 1.00 13.51 N ATOM 1036 CZ ARG A 66 37.947 -13.199 -7.670 1.00 23.53 C ATOM 1037 NH1 ARG A 66 38.546 -12.893 -6.527 1.00 65.23 N ATOM 1038 NH2 ARG A 66 38.594 -13.038 -8.817 1.00 22.40 N ATOM 0 H ARG A 66 32.338 -14.756 -4.775 1.00 24.43 H new ATOM 0 HA ARG A 66 31.309 -13.526 -6.995 1.00 31.03 H new ATOM 0 HB2 ARG A 66 33.538 -12.867 -7.462 1.00 52.43 H new ATOM 0 HB3 ARG A 66 33.471 -13.067 -5.723 1.00 52.43 H new ATOM 0 HG2 ARG A 66 34.453 -15.377 -6.013 1.00 72.54 H new ATOM 0 HG3 ARG A 66 34.639 -15.035 -7.722 1.00 72.54 H new ATOM 0 HD2 ARG A 66 35.726 -12.912 -5.977 1.00 42.23 H new ATOM 0 HD3 ARG A 66 36.501 -14.466 -5.743 1.00 42.23 H new ATOM 0 HE ARG A 66 36.272 -13.894 -8.563 1.00 13.51 H new ATOM 0 HH11 ARG A 66 38.052 -13.017 -5.643 1.00 65.23 H new ATOM 0 HH12 ARG A 66 39.501 -12.534 -6.532 1.00 65.23 H new ATOM 0 HH21 ARG A 66 38.137 -13.274 -9.698 1.00 22.40 H new ATOM 0 HH22 ARG A 66 39.549 -12.678 -8.818 1.00 22.40 H new ATOM 1052 N GLU A 67 32.352 -16.532 -7.669 1.00 61.02 N ATOM 1053 CA GLU A 67 32.400 -17.566 -8.696 1.00 54.03 C ATOM 1054 C GLU A 67 31.108 -17.586 -9.508 1.00 74.12 C ATOM 1055 O GLU A 67 31.104 -17.262 -10.695 1.00 60.23 O ATOM 1056 CB GLU A 67 32.636 -18.937 -8.060 1.00 65.43 C ATOM 1057 CG GLU A 67 33.988 -19.541 -8.402 1.00 62.40 C ATOM 1058 CD GLU A 67 34.284 -20.798 -7.606 1.00 53.21 C ATOM 1059 OE1 GLU A 67 33.919 -21.896 -8.075 1.00 74.24 O ATOM 1060 OE2 GLU A 67 34.879 -20.683 -6.515 1.00 23.13 O ATOM 0 H GLU A 67 32.539 -16.867 -6.724 1.00 61.02 H new ATOM 0 HA GLU A 67 33.228 -17.337 -9.367 1.00 54.03 H new ATOM 0 HB2 GLU A 67 32.552 -18.845 -6.977 1.00 65.43 H new ATOM 0 HB3 GLU A 67 31.850 -19.619 -8.384 1.00 65.43 H new ATOM 0 HG2 GLU A 67 34.019 -19.774 -9.466 1.00 62.40 H new ATOM 0 HG3 GLU A 67 34.769 -18.804 -8.214 1.00 62.40 H new ATOM 1067 N GLU A 68 30.013 -17.969 -8.858 1.00 61.54 N ATOM 1068 CA GLU A 68 28.715 -18.033 -9.520 1.00 64.45 C ATOM 1069 C GLU A 68 28.053 -16.659 -9.554 1.00 2.15 C ATOM 1070 O GLU A 68 27.420 -16.286 -10.542 1.00 11.21 O ATOM 1071 CB GLU A 68 27.803 -19.034 -8.808 1.00 22.10 C ATOM 1072 CG GLU A 68 27.508 -20.279 -9.628 1.00 14.13 C ATOM 1073 CD GLU A 68 28.652 -21.274 -9.610 1.00 75.14 C ATOM 1074 OE1 GLU A 68 29.507 -21.180 -8.706 1.00 32.15 O ATOM 1075 OE2 GLU A 68 28.691 -22.147 -10.502 1.00 72.44 O ATOM 0 H GLU A 68 29.999 -18.239 -7.875 1.00 61.54 H new ATOM 0 HA GLU A 68 28.875 -18.365 -10.546 1.00 64.45 H new ATOM 0 HB2 GLU A 68 28.267 -19.330 -7.867 1.00 22.10 H new ATOM 0 HB3 GLU A 68 26.863 -18.542 -8.558 1.00 22.10 H new ATOM 0 HG2 GLU A 68 26.608 -20.759 -9.243 1.00 14.13 H new ATOM 0 HG3 GLU A 68 27.299 -19.990 -10.658 1.00 14.13 H new ATOM 1082 N LEU A 69 28.204 -15.910 -8.467 1.00 35.35 N ATOM 1083 CA LEU A 69 27.620 -14.577 -8.369 1.00 41.33 C ATOM 1084 C LEU A 69 27.891 -13.770 -9.635 1.00 70.34 C ATOM 1085 O LEU A 69 26.985 -13.519 -10.430 1.00 74.33 O ATOM 1086 CB LEU A 69 28.182 -13.840 -7.152 1.00 31.31 C ATOM 1087 CG LEU A 69 27.405 -12.604 -6.698 1.00 21.01 C ATOM 1088 CD1 LEU A 69 27.612 -11.456 -7.673 1.00 52.33 C ATOM 1089 CD2 LEU A 69 25.925 -12.926 -6.557 1.00 34.51 C ATOM 0 H LEU A 69 28.726 -16.203 -7.641 1.00 35.35 H new ATOM 0 HA LEU A 69 26.542 -14.687 -8.253 1.00 41.33 H new ATOM 0 HB2 LEU A 69 28.230 -14.541 -6.318 1.00 31.31 H new ATOM 0 HB3 LEU A 69 29.206 -13.539 -7.375 1.00 31.31 H new ATOM 0 HG LEU A 69 27.784 -12.298 -5.723 1.00 21.01 H new ATOM 0 HD11 LEU A 69 27.051 -10.585 -7.334 1.00 52.33 H new ATOM 0 HD12 LEU A 69 28.672 -11.208 -7.723 1.00 52.33 H new ATOM 0 HD13 LEU A 69 27.261 -11.751 -8.662 1.00 52.33 H new ATOM 0 HD21 LEU A 69 25.388 -12.035 -6.233 1.00 34.51 H new ATOM 0 HD22 LEU A 69 25.532 -13.258 -7.518 1.00 34.51 H new ATOM 0 HD23 LEU A 69 25.793 -13.717 -5.819 1.00 34.51 H new ATOM 1101 N CYS A 70 29.144 -13.368 -9.818 1.00 23.51 N ATOM 1102 CA CYS A 70 29.536 -12.592 -10.988 1.00 23.01 C ATOM 1103 C CYS A 70 31.030 -12.738 -11.262 1.00 4.53 C ATOM 1104 O CYS A 70 31.438 -13.108 -12.362 1.00 35.11 O ATOM 1105 CB CYS A 70 29.185 -11.117 -10.788 1.00 14.50 C ATOM 1106 SG CYS A 70 27.531 -10.657 -11.399 1.00 1.10 S ATOM 0 H CYS A 70 29.906 -13.567 -9.170 1.00 23.51 H new ATOM 0 HA CYS A 70 28.988 -12.976 -11.848 1.00 23.01 H new ATOM 0 HB2 CYS A 70 29.247 -10.881 -9.726 1.00 14.50 H new ATOM 0 HB3 CYS A 70 29.931 -10.505 -11.295 1.00 14.50 H new ATOM 1111 N GLY A 71 31.843 -12.443 -10.251 1.00 42.14 N ATOM 1112 CA GLY A 71 33.283 -12.547 -10.403 1.00 33.02 C ATOM 1113 C GLY A 71 33.867 -11.396 -11.198 1.00 31.13 C ATOM 1114 O GLY A 71 34.608 -10.574 -10.659 1.00 11.20 O ATOM 0 H GLY A 71 31.530 -12.134 -9.331 1.00 42.14 H new ATOM 0 HA2 GLY A 71 33.748 -12.577 -9.418 1.00 33.02 H new ATOM 0 HA3 GLY A 71 33.526 -13.487 -10.899 1.00 33.02 H new ATOM 1118 N ARG A 72 33.534 -11.338 -12.483 1.00 44.12 N ATOM 1119 CA ARG A 72 34.034 -10.281 -13.354 1.00 53.13 C ATOM 1120 C ARG A 72 33.651 -8.906 -12.815 1.00 3.32 C ATOM 1121 O ARG A 72 34.326 -7.912 -13.085 1.00 72.23 O ATOM 1122 CB ARG A 72 33.483 -10.456 -14.771 1.00 3.21 C ATOM 1123 CG ARG A 72 31.966 -10.417 -14.844 1.00 34.12 C ATOM 1124 CD ARG A 72 31.441 -11.271 -15.987 1.00 72.13 C ATOM 1125 NE ARG A 72 31.720 -10.673 -17.290 1.00 51.00 N ATOM 1126 CZ ARG A 72 31.594 -11.325 -18.440 1.00 74.14 C ATOM 1127 NH1 ARG A 72 31.194 -12.589 -18.449 1.00 64.42 N ATOM 1128 NH2 ARG A 72 31.866 -10.712 -19.585 1.00 63.23 N ATOM 0 H ARG A 72 32.921 -12.010 -12.944 1.00 44.12 H new ATOM 0 HA ARG A 72 35.121 -10.352 -13.382 1.00 53.13 H new ATOM 0 HB2 ARG A 72 33.889 -9.671 -15.409 1.00 3.21 H new ATOM 0 HB3 ARG A 72 33.833 -11.407 -15.173 1.00 3.21 H new ATOM 0 HG2 ARG A 72 31.546 -10.770 -13.902 1.00 34.12 H new ATOM 0 HG3 ARG A 72 31.633 -9.387 -14.975 1.00 34.12 H new ATOM 0 HD2 ARG A 72 31.895 -12.261 -15.938 1.00 72.13 H new ATOM 0 HD3 ARG A 72 30.366 -11.407 -15.873 1.00 72.13 H new ATOM 0 HE ARG A 72 32.029 -9.701 -17.318 1.00 51.00 H new ATOM 0 HH11 ARG A 72 30.982 -13.063 -17.571 1.00 64.42 H new ATOM 0 HH12 ARG A 72 31.098 -13.087 -19.334 1.00 64.42 H new ATOM 0 HH21 ARG A 72 32.172 -9.739 -19.582 1.00 63.23 H new ATOM 0 HH22 ARG A 72 31.769 -11.214 -20.468 1.00 63.23 H new ATOM 1142 N SER A 73 32.565 -8.857 -12.051 1.00 13.41 N ATOM 1143 CA SER A 73 32.090 -7.603 -11.477 1.00 32.12 C ATOM 1144 C SER A 73 32.214 -7.620 -9.956 1.00 72.53 C ATOM 1145 O SER A 73 31.878 -8.610 -9.307 1.00 25.44 O ATOM 1146 CB SER A 73 30.635 -7.352 -11.878 1.00 60.44 C ATOM 1147 OG SER A 73 30.468 -6.045 -12.399 1.00 73.22 O ATOM 0 H SER A 73 31.997 -9.671 -11.815 1.00 13.41 H new ATOM 0 HA SER A 73 32.711 -6.796 -11.866 1.00 32.12 H new ATOM 0 HB2 SER A 73 30.328 -8.086 -12.623 1.00 60.44 H new ATOM 0 HB3 SER A 73 29.987 -7.487 -11.012 1.00 60.44 H new ATOM 0 HG SER A 73 29.530 -5.910 -12.649 1.00 73.22 H new ATOM 1153 N ALA A 74 32.698 -6.517 -9.396 1.00 21.12 N ATOM 1154 CA ALA A 74 32.865 -6.404 -7.952 1.00 51.42 C ATOM 1155 C ALA A 74 31.515 -6.317 -7.249 1.00 33.33 C ATOM 1156 O ALA A 74 31.259 -7.041 -6.287 1.00 51.10 O ATOM 1157 CB ALA A 74 33.717 -5.190 -7.613 1.00 43.32 C ATOM 0 H ALA A 74 32.981 -5.689 -9.920 1.00 21.12 H new ATOM 0 HA ALA A 74 33.373 -7.301 -7.598 1.00 51.42 H new ATOM 0 HB1 ALA A 74 33.834 -5.118 -6.532 1.00 43.32 H new ATOM 0 HB2 ALA A 74 34.698 -5.293 -8.078 1.00 43.32 H new ATOM 0 HB3 ALA A 74 33.231 -4.289 -7.987 1.00 43.32 H new ATOM 1163 N GLU A 75 30.655 -5.427 -7.735 1.00 21.14 N ATOM 1164 CA GLU A 75 29.332 -5.246 -7.150 1.00 34.20 C ATOM 1165 C GLU A 75 28.239 -5.575 -8.164 1.00 4.41 C ATOM 1166 O GLU A 75 28.051 -4.856 -9.146 1.00 4.22 O ATOM 1167 CB GLU A 75 29.163 -3.810 -6.649 1.00 72.23 C ATOM 1168 CG GLU A 75 30.003 -3.490 -5.425 1.00 3.23 C ATOM 1169 CD GLU A 75 30.298 -2.008 -5.291 1.00 23.51 C ATOM 1170 OE1 GLU A 75 29.802 -1.227 -6.130 1.00 24.31 O ATOM 1171 OE2 GLU A 75 31.025 -1.630 -4.348 1.00 72.44 O ATOM 0 H GLU A 75 30.851 -4.821 -8.532 1.00 21.14 H new ATOM 0 HA GLU A 75 29.239 -5.930 -6.307 1.00 34.20 H new ATOM 0 HB2 GLU A 75 29.427 -3.121 -7.451 1.00 72.23 H new ATOM 0 HB3 GLU A 75 28.113 -3.637 -6.414 1.00 72.23 H new ATOM 0 HG2 GLU A 75 29.483 -3.835 -4.532 1.00 3.23 H new ATOM 0 HG3 GLU A 75 30.942 -4.040 -5.480 1.00 3.23 H new ATOM 1178 N CYS A 76 27.522 -6.666 -7.919 1.00 61.12 N ATOM 1179 CA CYS A 76 26.449 -7.092 -8.810 1.00 22.25 C ATOM 1180 C CYS A 76 25.090 -6.947 -8.132 1.00 32.13 C ATOM 1181 O CYS A 76 24.975 -7.079 -6.913 1.00 71.12 O ATOM 1182 CB CYS A 76 26.663 -8.544 -9.242 1.00 24.11 C ATOM 1183 SG CYS A 76 27.209 -8.733 -10.970 1.00 4.35 S ATOM 0 H CYS A 76 27.664 -7.272 -7.111 1.00 61.12 H new ATOM 0 HA CYS A 76 26.466 -6.451 -9.692 1.00 22.25 H new ATOM 0 HB2 CYS A 76 27.404 -9.002 -8.586 1.00 24.11 H new ATOM 0 HB3 CYS A 76 25.732 -9.094 -9.104 1.00 24.11 H new ATOM 1188 N SER A 77 24.063 -6.675 -8.930 1.00 53.21 N ATOM 1189 CA SER A 77 22.711 -6.508 -8.408 1.00 25.13 C ATOM 1190 C SER A 77 21.867 -7.749 -8.680 1.00 32.10 C ATOM 1191 O SER A 77 22.112 -8.482 -9.639 1.00 2.14 O ATOM 1192 CB SER A 77 22.048 -5.279 -9.032 1.00 45.12 C ATOM 1193 OG SER A 77 22.080 -5.346 -10.447 1.00 72.34 O ATOM 0 H SER A 77 24.141 -6.565 -9.941 1.00 53.21 H new ATOM 0 HA SER A 77 22.780 -6.366 -7.330 1.00 25.13 H new ATOM 0 HB2 SER A 77 21.015 -5.207 -8.691 1.00 45.12 H new ATOM 0 HB3 SER A 77 22.558 -4.376 -8.696 1.00 45.12 H new ATOM 0 HG SER A 77 21.649 -4.550 -10.822 1.00 72.34 H new ATOM 1199 N ILE A 78 20.872 -7.978 -7.830 1.00 14.31 N ATOM 1200 CA ILE A 78 19.990 -9.129 -7.979 1.00 13.33 C ATOM 1201 C ILE A 78 18.526 -8.719 -7.859 1.00 52.42 C ATOM 1202 O ILE A 78 18.162 -7.922 -6.994 1.00 14.13 O ATOM 1203 CB ILE A 78 20.295 -10.212 -6.927 1.00 42.32 C ATOM 1204 CG1 ILE A 78 21.763 -10.634 -7.010 1.00 65.11 C ATOM 1205 CG2 ILE A 78 19.381 -11.412 -7.122 1.00 62.24 C ATOM 1206 CD1 ILE A 78 22.607 -10.114 -5.867 1.00 62.23 C ATOM 0 H ILE A 78 20.656 -7.382 -7.031 1.00 14.31 H new ATOM 0 HA ILE A 78 20.171 -9.538 -8.973 1.00 13.33 H new ATOM 0 HB ILE A 78 20.111 -9.798 -5.936 1.00 42.32 H new ATOM 0 HG12 ILE A 78 21.819 -11.722 -7.027 1.00 65.11 H new ATOM 0 HG13 ILE A 78 22.182 -10.279 -7.951 1.00 65.11 H new ATOM 0 HG21 ILE A 78 19.609 -12.169 -6.371 1.00 62.24 H new ATOM 0 HG22 ILE A 78 18.342 -11.099 -7.018 1.00 62.24 H new ATOM 0 HG23 ILE A 78 19.536 -11.830 -8.117 1.00 62.24 H new ATOM 0 HD11 ILE A 78 23.636 -10.452 -5.991 1.00 62.23 H new ATOM 0 HD12 ILE A 78 22.581 -9.024 -5.862 1.00 62.23 H new ATOM 0 HD13 ILE A 78 22.213 -10.490 -4.923 1.00 62.23 H new ATOM 1218 N HIS A 79 17.689 -9.270 -8.733 1.00 43.31 N ATOM 1219 CA HIS A 79 16.263 -8.963 -8.724 1.00 63.24 C ATOM 1220 C HIS A 79 15.444 -10.201 -8.372 1.00 13.34 C ATOM 1221 O HIS A 79 15.759 -11.311 -8.802 1.00 43.22 O ATOM 1222 CB HIS A 79 15.829 -8.420 -10.086 1.00 35.30 C ATOM 1223 CG HIS A 79 16.492 -7.129 -10.456 1.00 32.43 C ATOM 1224 ND1 HIS A 79 15.791 -6.010 -10.853 1.00 2.15 N ATOM 1225 CD2 HIS A 79 17.800 -6.783 -10.485 1.00 51.15 C ATOM 1226 CE1 HIS A 79 16.640 -5.031 -11.112 1.00 72.31 C ATOM 1227 NE2 HIS A 79 17.865 -5.474 -10.897 1.00 23.32 N ATOM 0 H HIS A 79 17.974 -9.931 -9.456 1.00 43.31 H new ATOM 0 HA HIS A 79 16.084 -8.202 -7.964 1.00 63.24 H new ATOM 0 HB2 HIS A 79 16.049 -9.164 -10.851 1.00 35.30 H new ATOM 0 HB3 HIS A 79 14.749 -8.276 -10.083 1.00 35.30 H new ATOM 0 HD2 HIS A 79 18.636 -7.417 -10.232 1.00 51.15 H new ATOM 0 HE1 HIS A 79 16.377 -4.037 -11.443 1.00 72.31 H new ATOM 0 HE2 HIS A 79 18.721 -4.932 -11.017 1.00 23.32 H new ATOM 1235 N LEU A 80 14.391 -10.003 -7.585 1.00 43.15 N ATOM 1236 CA LEU A 80 13.526 -11.103 -7.174 1.00 22.11 C ATOM 1237 C LEU A 80 12.075 -10.645 -7.070 1.00 71.12 C ATOM 1238 O LEU A 80 11.801 -9.465 -6.853 1.00 71.34 O ATOM 1239 CB LEU A 80 13.992 -11.669 -5.831 1.00 55.01 C ATOM 1240 CG LEU A 80 13.108 -12.756 -5.219 1.00 20.35 C ATOM 1241 CD1 LEU A 80 13.944 -13.720 -4.391 1.00 62.44 C ATOM 1242 CD2 LEU A 80 12.010 -12.135 -4.368 1.00 11.21 C ATOM 0 H LEU A 80 14.116 -9.091 -7.219 1.00 43.15 H new ATOM 0 HA LEU A 80 13.587 -11.884 -7.932 1.00 22.11 H new ATOM 0 HB2 LEU A 80 14.996 -12.074 -5.959 1.00 55.01 H new ATOM 0 HB3 LEU A 80 14.068 -10.847 -5.119 1.00 55.01 H new ATOM 0 HG LEU A 80 12.640 -13.315 -6.029 1.00 20.35 H new ATOM 0 HD11 LEU A 80 13.298 -14.487 -3.963 1.00 62.44 H new ATOM 0 HD12 LEU A 80 14.694 -14.191 -5.027 1.00 62.44 H new ATOM 0 HD13 LEU A 80 14.440 -13.174 -3.588 1.00 62.44 H new ATOM 0 HD21 LEU A 80 11.391 -12.924 -3.941 1.00 11.21 H new ATOM 0 HD22 LEU A 80 12.459 -11.551 -3.565 1.00 11.21 H new ATOM 0 HD23 LEU A 80 11.393 -11.485 -4.988 1.00 11.21 H new ATOM 1254 N GLU A 81 11.150 -11.587 -7.225 1.00 31.35 N ATOM 1255 CA GLU A 81 9.727 -11.280 -7.147 1.00 13.45 C ATOM 1256 C GLU A 81 9.013 -12.242 -6.202 1.00 72.51 C ATOM 1257 O GLU A 81 8.926 -13.441 -6.469 1.00 30.24 O ATOM 1258 CB GLU A 81 9.091 -11.346 -8.537 1.00 31.33 C ATOM 1259 CG GLU A 81 9.091 -10.016 -9.270 1.00 52.34 C ATOM 1260 CD GLU A 81 9.677 -10.119 -10.665 1.00 41.41 C ATOM 1261 OE1 GLU A 81 10.917 -10.210 -10.783 1.00 32.21 O ATOM 1262 OE2 GLU A 81 8.895 -10.108 -11.639 1.00 2.41 O ATOM 0 H GLU A 81 11.361 -12.569 -7.405 1.00 31.35 H new ATOM 0 HA GLU A 81 9.621 -10.268 -6.755 1.00 13.45 H new ATOM 0 HB2 GLU A 81 9.626 -12.082 -9.137 1.00 31.33 H new ATOM 0 HB3 GLU A 81 8.064 -11.698 -8.441 1.00 31.33 H new ATOM 0 HG2 GLU A 81 8.069 -9.642 -9.336 1.00 52.34 H new ATOM 0 HG3 GLU A 81 9.661 -9.288 -8.693 1.00 52.34 H new ATOM 1269 N VAL A 82 8.503 -11.709 -5.096 1.00 45.23 N ATOM 1270 CA VAL A 82 7.797 -12.519 -4.112 1.00 34.33 C ATOM 1271 C VAL A 82 6.300 -12.554 -4.401 1.00 62.41 C ATOM 1272 O VAL A 82 5.597 -11.562 -4.208 1.00 20.24 O ATOM 1273 CB VAL A 82 8.020 -11.988 -2.683 1.00 72.22 C ATOM 1274 CG1 VAL A 82 7.554 -13.008 -1.655 1.00 65.34 C ATOM 1275 CG2 VAL A 82 9.484 -11.634 -2.470 1.00 13.33 C ATOM 0 H VAL A 82 8.566 -10.719 -4.860 1.00 45.23 H new ATOM 0 HA VAL A 82 8.202 -13.528 -4.184 1.00 34.33 H new ATOM 0 HB VAL A 82 7.428 -11.082 -2.554 1.00 72.22 H new ATOM 0 HG11 VAL A 82 7.720 -12.615 -0.652 1.00 65.34 H new ATOM 0 HG12 VAL A 82 6.492 -13.207 -1.796 1.00 65.34 H new ATOM 0 HG13 VAL A 82 8.116 -13.933 -1.780 1.00 65.34 H new ATOM 0 HG21 VAL A 82 9.624 -11.261 -1.456 1.00 13.33 H new ATOM 0 HG22 VAL A 82 10.098 -12.522 -2.618 1.00 13.33 H new ATOM 0 HG23 VAL A 82 9.780 -10.865 -3.184 1.00 13.33 H new ATOM 1285 N ILE A 83 5.820 -13.703 -4.865 1.00 72.00 N ATOM 1286 CA ILE A 83 4.406 -13.868 -5.179 1.00 41.25 C ATOM 1287 C ILE A 83 3.611 -14.270 -3.942 1.00 70.31 C ATOM 1288 O ILE A 83 4.026 -15.144 -3.181 1.00 63.41 O ATOM 1289 CB ILE A 83 4.193 -14.925 -6.279 1.00 24.11 C ATOM 1290 CG1 ILE A 83 2.699 -15.176 -6.494 1.00 4.41 C ATOM 1291 CG2 ILE A 83 4.906 -16.219 -5.914 1.00 51.04 C ATOM 1292 CD1 ILE A 83 2.164 -16.350 -5.705 1.00 61.23 C ATOM 0 H ILE A 83 6.389 -14.533 -5.032 1.00 72.00 H new ATOM 0 HA ILE A 83 4.048 -12.903 -5.539 1.00 41.25 H new ATOM 0 HB ILE A 83 4.616 -14.549 -7.211 1.00 24.11 H new ATOM 0 HG12 ILE A 83 2.145 -14.279 -6.217 1.00 4.41 H new ATOM 0 HG13 ILE A 83 2.517 -15.348 -7.555 1.00 4.41 H new ATOM 0 HG21 ILE A 83 4.747 -16.957 -6.701 1.00 51.04 H new ATOM 0 HG22 ILE A 83 5.974 -16.028 -5.806 1.00 51.04 H new ATOM 0 HG23 ILE A 83 4.509 -16.600 -4.973 1.00 51.04 H new ATOM 0 HD11 ILE A 83 1.099 -16.469 -5.906 1.00 61.23 H new ATOM 0 HD12 ILE A 83 2.692 -17.257 -5.999 1.00 61.23 H new ATOM 0 HD13 ILE A 83 2.314 -16.172 -4.640 1.00 61.23 H new ATOM 1304 N VAL A 84 2.464 -13.628 -3.748 1.00 13.23 N ATOM 1305 CA VAL A 84 1.608 -13.921 -2.604 1.00 53.53 C ATOM 1306 C VAL A 84 0.162 -14.133 -3.040 1.00 3.21 C ATOM 1307 O VAL A 84 -0.365 -13.385 -3.864 1.00 22.02 O ATOM 1308 CB VAL A 84 1.657 -12.788 -1.562 1.00 0.14 C ATOM 1309 CG1 VAL A 84 2.991 -12.792 -0.831 1.00 62.12 C ATOM 1310 CG2 VAL A 84 1.408 -11.442 -2.225 1.00 75.14 C ATOM 0 H VAL A 84 2.106 -12.902 -4.368 1.00 13.23 H new ATOM 0 HA VAL A 84 1.987 -14.838 -2.152 1.00 53.53 H new ATOM 0 HB VAL A 84 0.868 -12.958 -0.830 1.00 0.14 H new ATOM 0 HG11 VAL A 84 3.007 -11.985 -0.099 1.00 62.12 H new ATOM 0 HG12 VAL A 84 3.124 -13.746 -0.322 1.00 62.12 H new ATOM 0 HG13 VAL A 84 3.799 -12.648 -1.548 1.00 62.12 H new ATOM 0 HG21 VAL A 84 1.446 -10.654 -1.473 1.00 75.14 H new ATOM 0 HG22 VAL A 84 2.173 -11.261 -2.980 1.00 75.14 H new ATOM 0 HG23 VAL A 84 0.426 -11.445 -2.698 1.00 75.14 H new ATOM 1320 N ASP A 85 -0.474 -15.156 -2.481 1.00 62.52 N ATOM 1321 CA ASP A 85 -1.860 -15.467 -2.810 1.00 51.04 C ATOM 1322 C ASP A 85 -2.791 -15.075 -1.667 1.00 70.21 C ATOM 1323 O ASP A 85 -2.730 -15.649 -0.580 1.00 1.25 O ATOM 1324 CB ASP A 85 -2.012 -16.957 -3.120 1.00 63.02 C ATOM 1325 CG ASP A 85 -2.704 -17.205 -4.446 1.00 62.30 C ATOM 1326 OD1 ASP A 85 -2.005 -17.257 -5.480 1.00 40.10 O ATOM 1327 OD2 ASP A 85 -3.944 -17.349 -4.450 1.00 11.34 O ATOM 0 H ASP A 85 -0.052 -15.784 -1.798 1.00 62.52 H new ATOM 0 HA ASP A 85 -2.135 -14.891 -3.693 1.00 51.04 H new ATOM 0 HB2 ASP A 85 -1.027 -17.424 -3.134 1.00 63.02 H new ATOM 0 HB3 ASP A 85 -2.580 -17.435 -2.322 1.00 63.02 H new ATOM 1332 N ARG A 86 -3.651 -14.094 -1.921 1.00 31.22 N ATOM 1333 CA ARG A 86 -4.593 -13.624 -0.912 1.00 61.11 C ATOM 1334 C ARG A 86 -3.863 -12.914 0.224 1.00 10.13 C ATOM 1335 O ARG A 86 -3.547 -13.505 1.257 1.00 64.02 O ATOM 1336 CB ARG A 86 -5.406 -14.795 -0.357 1.00 64.42 C ATOM 1337 CG ARG A 86 -5.906 -15.751 -1.428 1.00 64.20 C ATOM 1338 CD ARG A 86 -6.790 -15.040 -2.441 1.00 22.25 C ATOM 1339 NE ARG A 86 -7.338 -15.962 -3.431 1.00 72.43 N ATOM 1340 CZ ARG A 86 -8.360 -15.665 -4.226 1.00 14.22 C ATOM 1341 NH1 ARG A 86 -8.942 -14.476 -4.146 1.00 41.02 N ATOM 1342 NH2 ARG A 86 -8.802 -16.557 -5.103 1.00 35.35 N ATOM 0 H ARG A 86 -3.715 -13.609 -2.816 1.00 31.22 H new ATOM 0 HA ARG A 86 -5.270 -12.913 -1.386 1.00 61.11 H new ATOM 0 HB2 ARG A 86 -4.792 -15.348 0.354 1.00 64.42 H new ATOM 0 HB3 ARG A 86 -6.260 -14.404 0.196 1.00 64.42 H new ATOM 0 HG2 ARG A 86 -5.056 -16.203 -1.939 1.00 64.20 H new ATOM 0 HG3 ARG A 86 -6.465 -16.562 -0.961 1.00 64.20 H new ATOM 0 HD2 ARG A 86 -7.607 -14.539 -1.921 1.00 22.25 H new ATOM 0 HD3 ARG A 86 -6.212 -14.267 -2.947 1.00 22.25 H new ATOM 0 HE ARG A 86 -6.913 -16.885 -3.517 1.00 72.43 H new ATOM 0 HH11 ARG A 86 -8.605 -13.787 -3.473 1.00 41.02 H new ATOM 0 HH12 ARG A 86 -9.727 -14.250 -4.757 1.00 41.02 H new ATOM 0 HH21 ARG A 86 -8.357 -17.473 -5.168 1.00 35.35 H new ATOM 0 HH22 ARG A 86 -9.587 -16.327 -5.713 1.00 35.35 H new ATOM 1356 N PRO A 87 -3.588 -11.615 0.031 1.00 34.32 N ATOM 1357 CA PRO A 87 -3.960 -10.901 -1.194 1.00 63.31 C ATOM 1358 C PRO A 87 -3.142 -11.354 -2.399 1.00 75.22 C ATOM 1359 O PRO A 87 -2.051 -11.905 -2.250 1.00 61.24 O ATOM 1360 CB PRO A 87 -3.654 -9.439 -0.859 1.00 64.42 C ATOM 1361 CG PRO A 87 -2.603 -9.504 0.195 1.00 63.13 C ATOM 1362 CD PRO A 87 -2.894 -10.744 0.994 1.00 64.21 C ATOM 0 HA PRO A 87 -4.999 -11.080 -1.471 1.00 63.31 H new ATOM 0 HB2 PRO A 87 -3.302 -8.897 -1.737 1.00 64.42 H new ATOM 0 HB3 PRO A 87 -4.543 -8.921 -0.500 1.00 64.42 H new ATOM 0 HG2 PRO A 87 -1.608 -9.550 -0.248 1.00 63.13 H new ATOM 0 HG3 PRO A 87 -2.629 -8.617 0.828 1.00 63.13 H new ATOM 0 HD2 PRO A 87 -1.980 -11.206 1.367 1.00 64.21 H new ATOM 0 HD3 PRO A 87 -3.518 -10.526 1.861 1.00 64.21 H new ATOM 1370 N LEU A 88 -3.676 -11.118 -3.592 1.00 75.45 N ATOM 1371 CA LEU A 88 -2.996 -11.502 -4.825 1.00 1.25 C ATOM 1372 C LEU A 88 -2.128 -10.361 -5.345 1.00 3.42 C ATOM 1373 O LEU A 88 -2.638 -9.326 -5.772 1.00 11.40 O ATOM 1374 CB LEU A 88 -4.017 -11.908 -5.889 1.00 45.52 C ATOM 1375 CG LEU A 88 -3.989 -13.374 -6.321 1.00 64.04 C ATOM 1376 CD1 LEU A 88 -5.395 -13.951 -6.342 1.00 34.43 C ATOM 1377 CD2 LEU A 88 -3.332 -13.515 -7.687 1.00 75.11 C ATOM 0 H LEU A 88 -4.578 -10.663 -3.732 1.00 75.45 H new ATOM 0 HA LEU A 88 -2.352 -12.354 -4.606 1.00 1.25 H new ATOM 0 HB2 LEU A 88 -5.014 -11.680 -5.513 1.00 45.52 H new ATOM 0 HB3 LEU A 88 -3.859 -11.287 -6.771 1.00 45.52 H new ATOM 0 HG LEU A 88 -3.399 -13.935 -5.596 1.00 64.04 H new ATOM 0 HD11 LEU A 88 -5.355 -14.995 -6.652 1.00 34.43 H new ATOM 0 HD12 LEU A 88 -5.830 -13.885 -5.345 1.00 34.43 H new ATOM 0 HD13 LEU A 88 -6.009 -13.387 -7.044 1.00 34.43 H new ATOM 0 HD21 LEU A 88 -3.321 -14.565 -7.979 1.00 75.11 H new ATOM 0 HD22 LEU A 88 -3.895 -12.940 -8.422 1.00 75.11 H new ATOM 0 HD23 LEU A 88 -2.309 -13.141 -7.639 1.00 75.11 H new ATOM 1389 N GLN A 89 -0.814 -10.559 -5.307 1.00 40.21 N ATOM 1390 CA GLN A 89 0.125 -9.546 -5.776 1.00 74.45 C ATOM 1391 C GLN A 89 1.564 -10.031 -5.635 1.00 13.11 C ATOM 1392 O GLN A 89 1.813 -11.137 -5.156 1.00 60.30 O ATOM 1393 CB GLN A 89 -0.066 -8.244 -4.998 1.00 14.40 C ATOM 1394 CG GLN A 89 -0.133 -8.439 -3.492 1.00 20.11 C ATOM 1395 CD GLN A 89 -0.355 -7.139 -2.744 1.00 32.30 C ATOM 1396 OE1 GLN A 89 -0.849 -6.162 -3.307 1.00 45.15 O ATOM 1397 NE2 GLN A 89 0.009 -7.121 -1.467 1.00 34.10 N ATOM 0 H GLN A 89 -0.376 -11.411 -4.957 1.00 40.21 H new ATOM 0 HA GLN A 89 -0.075 -9.362 -6.832 1.00 74.45 H new ATOM 0 HB2 GLN A 89 0.755 -7.567 -5.232 1.00 14.40 H new ATOM 0 HB3 GLN A 89 -0.983 -7.761 -5.335 1.00 14.40 H new ATOM 0 HG2 GLN A 89 -0.940 -9.132 -3.255 1.00 20.11 H new ATOM 0 HG3 GLN A 89 0.794 -8.898 -3.147 1.00 20.11 H new ATOM 0 HE21 GLN A 89 0.415 -7.954 -1.041 1.00 34.10 H new ATOM 0 HE22 GLN A 89 -0.117 -6.274 -0.913 1.00 34.10 H new ATOM 1406 N VAL A 90 2.508 -9.195 -6.055 1.00 63.41 N ATOM 1407 CA VAL A 90 3.923 -9.538 -5.974 1.00 62.14 C ATOM 1408 C VAL A 90 4.720 -8.426 -5.301 1.00 64.43 C ATOM 1409 O VAL A 90 4.306 -7.267 -5.295 1.00 31.14 O ATOM 1410 CB VAL A 90 4.516 -9.807 -7.370 1.00 60.03 C ATOM 1411 CG1 VAL A 90 5.886 -10.458 -7.253 1.00 34.24 C ATOM 1412 CG2 VAL A 90 3.573 -10.674 -8.191 1.00 42.11 C ATOM 0 H VAL A 90 2.319 -8.276 -6.455 1.00 63.41 H new ATOM 0 HA VAL A 90 3.995 -10.446 -5.376 1.00 62.14 H new ATOM 0 HB VAL A 90 4.637 -8.853 -7.884 1.00 60.03 H new ATOM 0 HG11 VAL A 90 6.289 -10.640 -8.249 1.00 34.24 H new ATOM 0 HG12 VAL A 90 6.558 -9.797 -6.706 1.00 34.24 H new ATOM 0 HG13 VAL A 90 5.795 -11.404 -6.720 1.00 34.24 H new ATOM 0 HG21 VAL A 90 4.008 -10.854 -9.174 1.00 42.11 H new ATOM 0 HG22 VAL A 90 3.418 -11.626 -7.683 1.00 42.11 H new ATOM 0 HG23 VAL A 90 2.616 -10.164 -8.305 1.00 42.11 H new ATOM 1422 N PHE A 91 5.867 -8.788 -4.736 1.00 5.52 N ATOM 1423 CA PHE A 91 6.724 -7.821 -4.059 1.00 51.40 C ATOM 1424 C PHE A 91 8.098 -7.756 -4.719 1.00 3.13 C ATOM 1425 O PHE A 91 8.848 -8.733 -4.714 1.00 43.40 O ATOM 1426 CB PHE A 91 6.872 -8.186 -2.581 1.00 10.45 C ATOM 1427 CG PHE A 91 5.560 -8.393 -1.880 1.00 13.32 C ATOM 1428 CD1 PHE A 91 4.542 -7.460 -1.997 1.00 52.23 C ATOM 1429 CD2 PHE A 91 5.344 -9.520 -1.104 1.00 73.21 C ATOM 1430 CE1 PHE A 91 3.334 -7.648 -1.353 1.00 13.41 C ATOM 1431 CE2 PHE A 91 4.137 -9.714 -0.458 1.00 3.44 C ATOM 1432 CZ PHE A 91 3.131 -8.776 -0.583 1.00 73.42 C ATOM 0 H PHE A 91 6.225 -9.743 -4.733 1.00 5.52 H new ATOM 0 HA PHE A 91 6.256 -6.840 -4.138 1.00 51.40 H new ATOM 0 HB2 PHE A 91 7.467 -9.096 -2.498 1.00 10.45 H new ATOM 0 HB3 PHE A 91 7.425 -7.396 -2.074 1.00 10.45 H new ATOM 0 HD1 PHE A 91 4.695 -6.576 -2.598 1.00 52.23 H new ATOM 0 HD2 PHE A 91 6.128 -10.256 -1.002 1.00 73.21 H new ATOM 0 HE1 PHE A 91 2.549 -6.913 -1.452 1.00 13.41 H new ATOM 0 HE2 PHE A 91 3.981 -10.597 0.143 1.00 3.44 H new ATOM 0 HZ PHE A 91 2.187 -8.925 -0.079 1.00 73.42 H new ATOM 1442 N HIS A 92 8.422 -6.598 -5.286 1.00 72.22 N ATOM 1443 CA HIS A 92 9.706 -6.405 -5.951 1.00 11.14 C ATOM 1444 C HIS A 92 10.843 -6.362 -4.934 1.00 34.12 C ATOM 1445 O HIS A 92 10.873 -5.498 -4.057 1.00 70.32 O ATOM 1446 CB HIS A 92 9.691 -5.114 -6.770 1.00 74.55 C ATOM 1447 CG HIS A 92 9.975 -5.326 -8.226 1.00 20.03 C ATOM 1448 ND1 HIS A 92 9.333 -4.629 -9.227 1.00 41.41 N ATOM 1449 CD2 HIS A 92 10.840 -6.162 -8.846 1.00 71.03 C ATOM 1450 CE1 HIS A 92 9.789 -5.028 -10.401 1.00 4.32 C ATOM 1451 NE2 HIS A 92 10.705 -5.958 -10.197 1.00 42.55 N ATOM 0 H HIS A 92 7.813 -5.780 -5.298 1.00 72.22 H new ATOM 0 HA HIS A 92 9.871 -7.249 -6.620 1.00 11.14 H new ATOM 0 HB2 HIS A 92 8.717 -4.637 -6.664 1.00 74.55 H new ATOM 0 HB3 HIS A 92 10.430 -4.425 -6.361 1.00 74.55 H new ATOM 0 HD2 HIS A 92 11.511 -6.860 -8.367 1.00 71.03 H new ATOM 0 HE1 HIS A 92 9.468 -4.657 -11.363 1.00 4.32 H new ATOM 0 HE2 HIS A 92 11.227 -6.445 -10.925 1.00 42.55 H new ATOM 1459 N VAL A 93 11.776 -7.301 -5.057 1.00 13.14 N ATOM 1460 CA VAL A 93 12.915 -7.370 -4.149 1.00 35.21 C ATOM 1461 C VAL A 93 14.229 -7.194 -4.901 1.00 54.33 C ATOM 1462 O VAL A 93 14.416 -7.752 -5.982 1.00 13.31 O ATOM 1463 CB VAL A 93 12.946 -8.710 -3.390 1.00 4.04 C ATOM 1464 CG1 VAL A 93 14.181 -8.793 -2.505 1.00 32.31 C ATOM 1465 CG2 VAL A 93 11.678 -8.886 -2.568 1.00 24.41 C ATOM 0 H VAL A 93 11.765 -8.024 -5.776 1.00 13.14 H new ATOM 0 HA VAL A 93 12.799 -6.557 -3.432 1.00 35.21 H new ATOM 0 HB VAL A 93 12.995 -9.520 -4.118 1.00 4.04 H new ATOM 0 HG11 VAL A 93 14.186 -9.746 -1.976 1.00 32.31 H new ATOM 0 HG12 VAL A 93 15.076 -8.715 -3.122 1.00 32.31 H new ATOM 0 HG13 VAL A 93 14.166 -7.977 -1.782 1.00 32.31 H new ATOM 0 HG21 VAL A 93 11.717 -9.838 -2.038 1.00 24.41 H new ATOM 0 HG22 VAL A 93 11.596 -8.073 -1.847 1.00 24.41 H new ATOM 0 HG23 VAL A 93 10.811 -8.874 -3.229 1.00 24.41 H new ATOM 1475 N GLU A 94 15.136 -6.414 -4.322 1.00 1.03 N ATOM 1476 CA GLU A 94 16.433 -6.164 -4.939 1.00 4.03 C ATOM 1477 C GLU A 94 17.555 -6.274 -3.910 1.00 63.31 C ATOM 1478 O GLU A 94 17.712 -5.407 -3.050 1.00 72.32 O ATOM 1479 CB GLU A 94 16.456 -4.778 -5.588 1.00 30.54 C ATOM 1480 CG GLU A 94 16.278 -4.810 -7.096 1.00 54.12 C ATOM 1481 CD GLU A 94 15.258 -3.799 -7.584 1.00 61.13 C ATOM 1482 OE1 GLU A 94 15.569 -2.590 -7.575 1.00 45.15 O ATOM 1483 OE2 GLU A 94 14.149 -4.218 -7.975 1.00 75.15 O ATOM 0 H GLU A 94 14.997 -5.945 -3.427 1.00 1.03 H new ATOM 0 HA GLU A 94 16.592 -6.920 -5.708 1.00 4.03 H new ATOM 0 HB2 GLU A 94 15.666 -4.168 -5.150 1.00 30.54 H new ATOM 0 HB3 GLU A 94 17.402 -4.291 -5.352 1.00 30.54 H new ATOM 0 HG2 GLU A 94 17.237 -4.614 -7.576 1.00 54.12 H new ATOM 0 HG3 GLU A 94 15.968 -5.810 -7.401 1.00 54.12 H new ATOM 1490 N VAL A 95 18.334 -7.348 -4.005 1.00 13.31 N ATOM 1491 CA VAL A 95 19.442 -7.572 -3.084 1.00 75.40 C ATOM 1492 C VAL A 95 20.784 -7.392 -3.785 1.00 34.44 C ATOM 1493 O VAL A 95 21.013 -7.948 -4.858 1.00 42.54 O ATOM 1494 CB VAL A 95 19.382 -8.983 -2.468 1.00 13.44 C ATOM 1495 CG1 VAL A 95 18.141 -9.134 -1.601 1.00 21.52 C ATOM 1496 CG2 VAL A 95 19.413 -10.042 -3.559 1.00 31.34 C ATOM 0 H VAL A 95 18.218 -8.076 -4.710 1.00 13.31 H new ATOM 0 HA VAL A 95 19.349 -6.832 -2.289 1.00 75.40 H new ATOM 0 HB VAL A 95 20.258 -9.122 -1.834 1.00 13.44 H new ATOM 0 HG11 VAL A 95 18.115 -10.137 -1.174 1.00 21.52 H new ATOM 0 HG12 VAL A 95 18.167 -8.398 -0.797 1.00 21.52 H new ATOM 0 HG13 VAL A 95 17.251 -8.976 -2.209 1.00 21.52 H new ATOM 0 HG21 VAL A 95 19.370 -11.032 -3.106 1.00 31.34 H new ATOM 0 HG22 VAL A 95 18.557 -9.908 -4.221 1.00 31.34 H new ATOM 0 HG23 VAL A 95 20.334 -9.946 -4.134 1.00 31.34 H new ATOM 1506 N GLU A 96 21.667 -6.613 -3.168 1.00 52.14 N ATOM 1507 CA GLU A 96 22.987 -6.360 -3.734 1.00 53.30 C ATOM 1508 C GLU A 96 24.065 -7.110 -2.957 1.00 13.11 C ATOM 1509 O GLU A 96 23.897 -7.412 -1.775 1.00 61.54 O ATOM 1510 CB GLU A 96 23.289 -4.860 -3.729 1.00 1.24 C ATOM 1511 CG GLU A 96 22.633 -4.102 -4.871 1.00 22.51 C ATOM 1512 CD GLU A 96 23.195 -2.705 -5.043 1.00 3.31 C ATOM 1513 OE1 GLU A 96 24.362 -2.482 -4.656 1.00 55.25 O ATOM 1514 OE2 GLU A 96 22.468 -1.834 -5.565 1.00 1.43 O ATOM 0 H GLU A 96 21.493 -6.147 -2.278 1.00 52.14 H new ATOM 0 HA GLU A 96 22.988 -6.720 -4.763 1.00 53.30 H new ATOM 0 HB2 GLU A 96 22.955 -4.434 -2.783 1.00 1.24 H new ATOM 0 HB3 GLU A 96 24.368 -4.715 -3.781 1.00 1.24 H new ATOM 0 HG2 GLU A 96 22.768 -4.660 -5.797 1.00 22.51 H new ATOM 0 HG3 GLU A 96 21.560 -4.038 -4.691 1.00 22.51 H new ATOM 1521 N VAL A 97 25.172 -7.408 -3.630 1.00 11.44 N ATOM 1522 CA VAL A 97 26.278 -8.122 -3.003 1.00 42.45 C ATOM 1523 C VAL A 97 27.445 -7.184 -2.716 1.00 10.44 C ATOM 1524 O VAL A 97 27.952 -6.513 -3.615 1.00 12.20 O ATOM 1525 CB VAL A 97 26.772 -9.280 -3.890 1.00 72.31 C ATOM 1526 CG1 VAL A 97 25.823 -10.466 -3.797 1.00 43.31 C ATOM 1527 CG2 VAL A 97 26.923 -8.820 -5.332 1.00 42.01 C ATOM 0 H VAL A 97 25.327 -7.166 -4.609 1.00 11.44 H new ATOM 0 HA VAL A 97 25.902 -8.527 -2.064 1.00 42.45 H new ATOM 0 HB VAL A 97 27.750 -9.598 -3.530 1.00 72.31 H new ATOM 0 HG11 VAL A 97 26.188 -11.275 -4.430 1.00 43.31 H new ATOM 0 HG12 VAL A 97 25.770 -10.810 -2.764 1.00 43.31 H new ATOM 0 HG13 VAL A 97 24.830 -10.164 -4.130 1.00 43.31 H new ATOM 0 HG21 VAL A 97 27.273 -9.651 -5.944 1.00 42.01 H new ATOM 0 HG22 VAL A 97 25.960 -8.474 -5.706 1.00 42.01 H new ATOM 0 HG23 VAL A 97 27.645 -8.005 -5.380 1.00 42.01 H new ATOM 1537 N ARG A 98 27.867 -7.142 -1.456 1.00 71.21 N ATOM 1538 CA ARG A 98 28.974 -6.286 -1.049 1.00 42.41 C ATOM 1539 C ARG A 98 30.302 -7.031 -1.146 1.00 42.33 C ATOM 1540 O ARG A 98 30.546 -7.984 -0.407 1.00 30.32 O ATOM 1541 CB ARG A 98 28.761 -5.786 0.381 1.00 42.41 C ATOM 1542 CG ARG A 98 28.540 -4.285 0.475 1.00 42.21 C ATOM 1543 CD ARG A 98 29.734 -3.511 -0.062 1.00 23.21 C ATOM 1544 NE ARG A 98 30.258 -2.564 0.918 1.00 1.34 N ATOM 1545 CZ ARG A 98 31.158 -1.630 0.630 1.00 21.21 C ATOM 1546 NH1 ARG A 98 31.631 -1.520 -0.603 1.00 45.54 N ATOM 1547 NH2 ARG A 98 31.586 -0.805 1.577 1.00 41.33 N ATOM 0 H ARG A 98 27.458 -7.691 -0.700 1.00 71.21 H new ATOM 0 HA ARG A 98 29.006 -5.431 -1.725 1.00 42.41 H new ATOM 0 HB2 ARG A 98 27.901 -6.299 0.812 1.00 42.41 H new ATOM 0 HB3 ARG A 98 29.628 -6.055 0.984 1.00 42.41 H new ATOM 0 HG2 ARG A 98 27.646 -4.012 -0.086 1.00 42.21 H new ATOM 0 HG3 ARG A 98 28.362 -4.007 1.514 1.00 42.21 H new ATOM 0 HD2 ARG A 98 30.520 -4.210 -0.347 1.00 23.21 H new ATOM 0 HD3 ARG A 98 29.442 -2.974 -0.965 1.00 23.21 H new ATOM 0 HE ARG A 98 29.914 -2.623 1.877 1.00 1.34 H new ATOM 0 HH11 ARG A 98 31.304 -2.153 -1.333 1.00 45.54 H new ATOM 0 HH12 ARG A 98 32.322 -0.802 -0.822 1.00 45.54 H new ATOM 0 HH21 ARG A 98 31.224 -0.888 2.527 1.00 41.33 H new ATOM 0 HH22 ARG A 98 32.277 -0.088 1.355 1.00 41.33 H new ATOM 1561 N ASP A 99 31.156 -6.589 -2.063 1.00 63.41 N ATOM 1562 CA ASP A 99 32.460 -7.214 -2.257 1.00 51.20 C ATOM 1563 C ASP A 99 33.339 -6.364 -3.170 1.00 32.42 C ATOM 1564 O ASP A 99 32.980 -5.240 -3.523 1.00 22.54 O ATOM 1565 CB ASP A 99 32.295 -8.615 -2.847 1.00 22.32 C ATOM 1566 CG ASP A 99 32.878 -9.692 -1.952 1.00 54.13 C ATOM 1567 OD1 ASP A 99 32.576 -9.683 -0.741 1.00 32.43 O ATOM 1568 OD2 ASP A 99 33.636 -10.543 -2.464 1.00 11.44 O ATOM 0 H ASP A 99 30.969 -5.801 -2.683 1.00 63.41 H new ATOM 0 HA ASP A 99 32.946 -7.293 -1.285 1.00 51.20 H new ATOM 0 HB2 ASP A 99 31.236 -8.815 -3.009 1.00 22.32 H new ATOM 0 HB3 ASP A 99 32.780 -8.655 -3.822 1.00 22.32 H new ATOM 1573 N ILE A 100 34.491 -6.909 -3.547 1.00 53.43 N ATOM 1574 CA ILE A 100 35.420 -6.201 -4.419 1.00 2.53 C ATOM 1575 C ILE A 100 35.907 -7.100 -5.550 1.00 53.20 C ATOM 1576 O ILE A 100 35.891 -8.324 -5.434 1.00 34.44 O ATOM 1577 CB ILE A 100 36.638 -5.676 -3.635 1.00 70.12 C ATOM 1578 CG1 ILE A 100 36.189 -5.042 -2.317 1.00 22.21 C ATOM 1579 CG2 ILE A 100 37.415 -4.673 -4.474 1.00 4.20 C ATOM 1580 CD1 ILE A 100 36.336 -5.961 -1.124 1.00 54.20 C ATOM 0 H ILE A 100 34.803 -7.838 -3.263 1.00 53.43 H new ATOM 0 HA ILE A 100 34.876 -5.355 -4.840 1.00 2.53 H new ATOM 0 HB ILE A 100 37.295 -6.516 -3.407 1.00 70.12 H new ATOM 0 HG12 ILE A 100 36.770 -4.137 -2.142 1.00 22.21 H new ATOM 0 HG13 ILE A 100 35.146 -4.739 -2.406 1.00 22.21 H new ATOM 0 HG21 ILE A 100 38.272 -4.311 -3.907 1.00 4.20 H new ATOM 0 HG22 ILE A 100 37.762 -5.155 -5.388 1.00 4.20 H new ATOM 0 HG23 ILE A 100 36.768 -3.834 -4.729 1.00 4.20 H new ATOM 0 HD11 ILE A 100 35.999 -5.446 -0.224 1.00 54.20 H new ATOM 0 HD12 ILE A 100 35.733 -6.856 -1.277 1.00 54.20 H new ATOM 0 HD13 ILE A 100 37.382 -6.244 -1.010 1.00 54.20 H new