USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 680 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 Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -49:sc= 0.179 USER MOD Single : A 20 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.13) USER MOD Single : A 22 MET CE :methyl -164:sc= -0.179 (180deg=-0.651) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00312) USER MOD Single : A 47 SER OG : rot -63:sc= 0.0283 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.044 (180deg=-0.34) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0222 K(o=-0.022,f=-1.6!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.411 3.991 -0.129 1.00 61.33 N ATOM 21 CA ARG A 2 -11.194 3.185 -0.322 1.00 42.25 C ATOM 22 C ARG A 2 -10.547 3.629 -1.636 1.00 25.34 C ATOM 23 O ARG A 2 -11.250 3.902 -2.619 1.00 4.32 O ATOM 24 CB ARG A 2 -11.524 1.666 -0.351 1.00 32.41 C ATOM 25 CG ARG A 2 -12.558 1.247 -1.424 1.00 75.45 C ATOM 26 CD ARG A 2 -12.884 -0.255 -1.393 1.00 33.23 C ATOM 27 NE ARG A 2 -13.257 -0.719 -0.039 1.00 62.25 N ATOM 28 CZ ARG A 2 -14.434 -0.498 0.573 1.00 13.54 C ATOM 29 NH1 ARG A 2 -15.410 0.179 -0.027 1.00 40.24 N ATOM 30 NH2 ARG A 2 -14.612 -0.945 1.804 1.00 33.12 N ATOM 0 HA ARG A 2 -10.507 3.341 0.510 1.00 42.25 H new ATOM 0 HB2 ARG A 2 -10.601 1.111 -0.520 1.00 32.41 H new ATOM 0 HB3 ARG A 2 -11.899 1.371 0.629 1.00 32.41 H new ATOM 0 HG2 ARG A 2 -13.476 1.815 -1.276 1.00 75.45 H new ATOM 0 HG3 ARG A 2 -12.176 1.510 -2.410 1.00 75.45 H new ATOM 0 HD2 ARG A 2 -13.701 -0.462 -2.084 1.00 33.23 H new ATOM 0 HD3 ARG A 2 -12.020 -0.820 -1.743 1.00 33.23 H new ATOM 0 HE ARG A 2 -12.559 -1.255 0.477 1.00 62.25 H new ATOM 0 HH11 ARG A 2 -15.273 0.542 -0.970 1.00 40.24 H new ATOM 0 HH12 ARG A 2 -16.295 0.335 0.456 1.00 40.24 H new ATOM 0 HH21 ARG A 2 -13.862 -1.450 2.277 1.00 33.12 H new ATOM 0 HH22 ARG A 2 -15.499 -0.785 2.281 1.00 33.12 H new ATOM 44 N ILE A 3 -9.220 3.756 -1.639 1.00 52.34 N ATOM 45 CA ILE A 3 -8.443 4.098 -2.835 1.00 45.31 C ATOM 46 C ILE A 3 -7.784 2.822 -3.391 1.00 50.21 C ATOM 47 O ILE A 3 -7.292 1.986 -2.628 1.00 54.53 O ATOM 48 CB ILE A 3 -7.373 5.211 -2.517 1.00 71.10 C ATOM 49 CG1 ILE A 3 -8.083 6.510 -1.999 1.00 71.44 C ATOM 50 CG2 ILE A 3 -6.485 5.511 -3.754 1.00 55.13 C ATOM 51 CD1 ILE A 3 -7.163 7.690 -1.745 1.00 63.15 C ATOM 0 H ILE A 3 -8.647 3.624 -0.805 1.00 52.34 H new ATOM 0 HA ILE A 3 -9.110 4.509 -3.593 1.00 45.31 H new ATOM 0 HB ILE A 3 -6.715 4.840 -1.731 1.00 71.10 H new ATOM 0 HG12 ILE A 3 -8.837 6.808 -2.727 1.00 71.44 H new ATOM 0 HG13 ILE A 3 -8.609 6.274 -1.074 1.00 71.44 H new ATOM 0 HG21 ILE A 3 -5.758 6.283 -3.501 1.00 55.13 H new ATOM 0 HG22 ILE A 3 -5.961 4.604 -4.055 1.00 55.13 H new ATOM 0 HG23 ILE A 3 -7.111 5.858 -4.576 1.00 55.13 H new ATOM 0 HD11 ILE A 3 -7.749 8.538 -1.390 1.00 63.15 H new ATOM 0 HD12 ILE A 3 -6.423 7.419 -0.992 1.00 63.15 H new ATOM 0 HD13 ILE A 3 -6.656 7.962 -2.671 1.00 63.15 H new ATOM 63 N LYS A 4 -7.776 2.695 -4.717 1.00 11.41 N ATOM 64 CA LYS A 4 -7.236 1.526 -5.419 1.00 33.33 C ATOM 65 C LYS A 4 -5.739 1.759 -5.661 1.00 32.44 C ATOM 66 O LYS A 4 -5.361 2.738 -6.317 1.00 0.11 O ATOM 67 CB LYS A 4 -8.003 1.352 -6.761 1.00 51.05 C ATOM 68 CG LYS A 4 -7.504 0.223 -7.690 1.00 13.21 C ATOM 69 CD LYS A 4 -8.343 0.168 -8.990 1.00 51.21 C ATOM 70 CE LYS A 4 -7.867 -0.886 -9.987 1.00 23.14 C ATOM 71 NZ LYS A 4 -8.717 -0.919 -11.202 1.00 13.53 N ATOM 0 H LYS A 4 -8.148 3.408 -5.344 1.00 11.41 H new ATOM 0 HA LYS A 4 -7.360 0.617 -4.831 1.00 33.33 H new ATOM 0 HB2 LYS A 4 -9.053 1.170 -6.534 1.00 51.05 H new ATOM 0 HB3 LYS A 4 -7.954 2.293 -7.308 1.00 51.05 H new ATOM 0 HG2 LYS A 4 -6.455 0.386 -7.936 1.00 13.21 H new ATOM 0 HG3 LYS A 4 -7.565 -0.734 -7.172 1.00 13.21 H new ATOM 0 HD2 LYS A 4 -9.383 -0.033 -8.732 1.00 51.21 H new ATOM 0 HD3 LYS A 4 -8.317 1.146 -9.470 1.00 51.21 H new ATOM 0 HE2 LYS A 4 -6.835 -0.678 -10.271 1.00 23.14 H new ATOM 0 HE3 LYS A 4 -7.875 -1.867 -9.511 1.00 23.14 H new ATOM 0 HZ1 LYS A 4 -8.362 -1.647 -11.854 1.00 13.53 H new ATOM 0 HZ2 LYS A 4 -9.697 -1.142 -10.934 1.00 13.53 H new ATOM 0 HZ3 LYS A 4 -8.689 0.009 -11.670 1.00 13.53 H new ATOM 85 N GLY A 5 -4.904 0.875 -5.097 1.00 61.41 N ATOM 86 CA GLY A 5 -3.447 0.953 -5.232 1.00 51.02 C ATOM 87 C GLY A 5 -2.889 -0.255 -5.956 1.00 15.25 C ATOM 88 O GLY A 5 -3.605 -1.233 -6.165 1.00 64.33 O ATOM 0 H GLY A 5 -5.222 0.086 -4.534 1.00 61.41 H new ATOM 0 HA2 GLY A 5 -3.179 1.859 -5.775 1.00 51.02 H new ATOM 0 HA3 GLY A 5 -2.993 1.028 -4.244 1.00 51.02 H new ATOM 92 N VAL A 6 -1.609 -0.183 -6.338 1.00 35.11 N ATOM 93 CA VAL A 6 -0.894 -1.270 -7.026 1.00 11.11 C ATOM 94 C VAL A 6 0.295 -1.710 -6.170 1.00 42.00 C ATOM 95 O VAL A 6 1.082 -0.874 -5.717 1.00 13.02 O ATOM 96 CB VAL A 6 -0.393 -0.826 -8.450 1.00 4.32 C ATOM 97 CG1 VAL A 6 0.490 -1.915 -9.118 1.00 53.21 C ATOM 98 CG2 VAL A 6 -1.589 -0.465 -9.358 1.00 1.11 C ATOM 0 H VAL A 6 -1.031 0.642 -6.177 1.00 35.11 H new ATOM 0 HA VAL A 6 -1.585 -2.101 -7.164 1.00 11.11 H new ATOM 0 HB VAL A 6 0.227 0.061 -8.316 1.00 4.32 H new ATOM 0 HG11 VAL A 6 0.815 -1.569 -10.099 1.00 53.21 H new ATOM 0 HG12 VAL A 6 1.363 -2.109 -8.494 1.00 53.21 H new ATOM 0 HG13 VAL A 6 -0.087 -2.833 -9.230 1.00 53.21 H new ATOM 0 HG21 VAL A 6 -1.223 -0.160 -10.338 1.00 1.11 H new ATOM 0 HG22 VAL A 6 -2.238 -1.334 -9.467 1.00 1.11 H new ATOM 0 HG23 VAL A 6 -2.151 0.354 -8.910 1.00 1.11 H new ATOM 108 N VAL A 7 0.401 -3.031 -5.961 1.00 25.23 N ATOM 109 CA VAL A 7 1.495 -3.659 -5.219 1.00 2.41 C ATOM 110 C VAL A 7 2.807 -3.515 -6.022 1.00 74.14 C ATOM 111 O VAL A 7 2.975 -4.183 -7.042 1.00 23.35 O ATOM 112 CB VAL A 7 1.199 -5.186 -4.963 1.00 42.44 C ATOM 113 CG1 VAL A 7 2.287 -5.825 -4.070 1.00 62.13 C ATOM 114 CG2 VAL A 7 -0.218 -5.395 -4.375 1.00 51.31 C ATOM 0 H VAL A 7 -0.285 -3.701 -6.310 1.00 25.23 H new ATOM 0 HA VAL A 7 1.591 -3.161 -4.254 1.00 2.41 H new ATOM 0 HB VAL A 7 1.228 -5.695 -5.926 1.00 42.44 H new ATOM 0 HG11 VAL A 7 2.055 -6.878 -3.911 1.00 62.13 H new ATOM 0 HG12 VAL A 7 3.257 -5.737 -4.559 1.00 62.13 H new ATOM 0 HG13 VAL A 7 2.317 -5.311 -3.109 1.00 62.13 H new ATOM 0 HG21 VAL A 7 -0.390 -6.459 -4.210 1.00 51.31 H new ATOM 0 HG22 VAL A 7 -0.301 -4.863 -3.427 1.00 51.31 H new ATOM 0 HG23 VAL A 7 -0.962 -5.011 -5.073 1.00 51.31 H new ATOM 124 N LEU A 8 3.690 -2.603 -5.597 1.00 73.23 N ATOM 125 CA LEU A 8 4.981 -2.375 -6.274 1.00 32.51 C ATOM 126 C LEU A 8 6.043 -3.379 -5.781 1.00 1.40 C ATOM 127 O LEU A 8 6.638 -4.095 -6.591 1.00 3.43 O ATOM 128 CB LEU A 8 5.463 -0.912 -6.076 1.00 64.55 C ATOM 129 CG LEU A 8 4.493 0.209 -6.582 1.00 2.54 C ATOM 130 CD1 LEU A 8 5.081 1.612 -6.326 1.00 10.52 C ATOM 131 CD2 LEU A 8 4.120 0.012 -8.074 1.00 3.44 C ATOM 0 H LEU A 8 3.537 -2.006 -4.784 1.00 73.23 H new ATOM 0 HA LEU A 8 4.835 -2.536 -7.342 1.00 32.51 H new ATOM 0 HB2 LEU A 8 5.647 -0.752 -5.014 1.00 64.55 H new ATOM 0 HB3 LEU A 8 6.419 -0.794 -6.586 1.00 64.55 H new ATOM 0 HG LEU A 8 3.570 0.128 -6.007 1.00 2.54 H new ATOM 0 HD11 LEU A 8 4.386 2.369 -6.688 1.00 10.52 H new ATOM 0 HD12 LEU A 8 5.243 1.749 -5.257 1.00 10.52 H new ATOM 0 HD13 LEU A 8 6.030 1.710 -6.852 1.00 10.52 H new ATOM 0 HD21 LEU A 8 3.446 0.809 -8.389 1.00 3.44 H new ATOM 0 HD22 LEU A 8 5.024 0.040 -8.682 1.00 3.44 H new ATOM 0 HD23 LEU A 8 3.627 -0.952 -8.202 1.00 3.44 H new ATOM 143 N SER A 9 6.270 -3.438 -4.445 1.00 43.30 N ATOM 144 CA SER A 9 7.303 -4.334 -3.844 1.00 31.21 C ATOM 145 C SER A 9 6.978 -4.715 -2.383 1.00 21.24 C ATOM 146 O SER A 9 6.047 -4.176 -1.777 1.00 21.21 O ATOM 147 CB SER A 9 8.705 -3.668 -3.913 1.00 62.34 C ATOM 148 OG SER A 9 9.095 -3.419 -5.254 1.00 22.43 O ATOM 0 H SER A 9 5.757 -2.881 -3.762 1.00 43.30 H new ATOM 0 HA SER A 9 7.303 -5.253 -4.431 1.00 31.21 H new ATOM 0 HB2 SER A 9 8.692 -2.731 -3.356 1.00 62.34 H new ATOM 0 HB3 SER A 9 9.440 -4.314 -3.433 1.00 62.34 H new ATOM 0 HG SER A 9 9.980 -2.998 -5.265 1.00 22.43 H new ATOM 154 N TYR A 10 7.762 -5.682 -1.857 1.00 11.43 N ATOM 155 CA TYR A 10 7.785 -6.076 -0.428 1.00 64.22 C ATOM 156 C TYR A 10 9.225 -5.920 0.120 1.00 43.53 C ATOM 157 O TYR A 10 10.195 -5.929 -0.652 1.00 14.34 O ATOM 158 CB TYR A 10 7.329 -7.552 -0.239 1.00 24.20 C ATOM 159 CG TYR A 10 5.978 -7.906 -0.885 1.00 2.11 C ATOM 160 CD1 TYR A 10 4.777 -7.406 -0.371 1.00 3.53 C ATOM 161 CD2 TYR A 10 5.904 -8.738 -2.013 1.00 53.11 C ATOM 162 CE1 TYR A 10 3.563 -7.727 -0.954 1.00 71.30 C ATOM 163 CE2 TYR A 10 4.693 -9.054 -2.595 1.00 42.15 C ATOM 164 CZ TYR A 10 3.530 -8.547 -2.064 1.00 0.54 C ATOM 165 OH TYR A 10 2.325 -8.851 -2.653 1.00 60.04 O ATOM 0 H TYR A 10 8.412 -6.224 -2.426 1.00 11.43 H new ATOM 0 HA TYR A 10 7.095 -5.430 0.115 1.00 64.22 H new ATOM 0 HB2 TYR A 10 8.095 -8.208 -0.652 1.00 24.20 H new ATOM 0 HB3 TYR A 10 7.270 -7.764 0.829 1.00 24.20 H new ATOM 0 HD1 TYR A 10 4.797 -6.760 0.494 1.00 3.53 H new ATOM 0 HD2 TYR A 10 6.814 -9.139 -2.434 1.00 53.11 H new ATOM 0 HE1 TYR A 10 2.644 -7.337 -0.541 1.00 71.30 H new ATOM 0 HE2 TYR A 10 4.659 -9.696 -3.463 1.00 42.15 H new ATOM 0 HH TYR A 10 1.691 -9.146 -1.967 1.00 60.04 H new ATOM 175 N ARG A 11 9.353 -5.778 1.450 1.00 1.45 N ATOM 176 CA ARG A 11 10.652 -5.724 2.149 1.00 53.53 C ATOM 177 C ARG A 11 10.531 -6.576 3.426 1.00 22.12 C ATOM 178 O ARG A 11 9.740 -6.237 4.316 1.00 75.10 O ATOM 179 CB ARG A 11 11.041 -4.249 2.471 1.00 23.14 C ATOM 180 CG ARG A 11 12.552 -3.963 2.547 1.00 64.42 C ATOM 181 CD ARG A 11 13.231 -4.159 1.182 1.00 31.32 C ATOM 182 NE ARG A 11 14.688 -3.964 1.229 1.00 63.23 N ATOM 183 CZ ARG A 11 15.532 -4.243 0.221 1.00 44.21 C ATOM 184 NH1 ARG A 11 15.078 -4.733 -0.935 1.00 5.13 N ATOM 185 NH2 ARG A 11 16.827 -4.022 0.380 1.00 25.30 N ATOM 0 H ARG A 11 8.553 -5.697 2.077 1.00 1.45 H new ATOM 0 HA ARG A 11 11.447 -6.123 1.519 1.00 53.53 H new ATOM 0 HB2 ARG A 11 10.604 -3.602 1.710 1.00 23.14 H new ATOM 0 HB3 ARG A 11 10.588 -3.972 3.423 1.00 23.14 H new ATOM 0 HG2 ARG A 11 12.713 -2.942 2.892 1.00 64.42 H new ATOM 0 HG3 ARG A 11 13.012 -4.624 3.282 1.00 64.42 H new ATOM 0 HD2 ARG A 11 13.016 -5.163 0.817 1.00 31.32 H new ATOM 0 HD3 ARG A 11 12.800 -3.460 0.465 1.00 31.32 H new ATOM 0 HE ARG A 11 15.087 -3.590 2.090 1.00 63.23 H new ATOM 0 HH11 ARG A 11 14.080 -4.900 -1.061 1.00 5.13 H new ATOM 0 HH12 ARG A 11 15.729 -4.940 -1.692 1.00 5.13 H new ATOM 0 HH21 ARG A 11 17.175 -3.644 1.261 1.00 25.30 H new ATOM 0 HH22 ARG A 11 17.477 -4.230 -0.378 1.00 25.30 H new ATOM 334 N ASN A 20 6.758 -5.915 8.075 1.00 43.11 N ATOM 335 CA ASN A 20 7.129 -6.143 6.668 1.00 5.12 C ATOM 336 C ASN A 20 6.595 -5.008 5.786 1.00 21.44 C ATOM 337 O ASN A 20 5.395 -4.725 5.792 1.00 14.22 O ATOM 338 CB ASN A 20 6.564 -7.509 6.176 1.00 65.31 C ATOM 339 CG ASN A 20 7.048 -8.712 7.004 1.00 63.35 C ATOM 340 OD1 ASN A 20 8.179 -8.745 7.485 1.00 21.33 O ATOM 341 ND2 ASN A 20 6.188 -9.705 7.187 1.00 41.31 N ATOM 0 HA ASN A 20 8.216 -6.164 6.595 1.00 5.12 H new ATOM 0 HB2 ASN A 20 5.475 -7.474 6.205 1.00 65.31 H new ATOM 0 HB3 ASN A 20 6.850 -7.657 5.135 1.00 65.31 H new ATOM 0 HD21 ASN A 20 6.459 -10.520 7.737 1.00 41.31 H new ATOM 0 HD22 ASN A 20 5.255 -9.654 6.777 1.00 41.31 H new ATOM 348 N VAL A 21 7.484 -4.396 5.010 1.00 1.51 N ATOM 349 CA VAL A 21 7.167 -3.189 4.246 1.00 34.23 C ATOM 350 C VAL A 21 6.564 -3.612 2.909 1.00 24.13 C ATOM 351 O VAL A 21 6.933 -4.644 2.353 1.00 63.55 O ATOM 352 CB VAL A 21 8.458 -2.335 3.979 1.00 44.33 C ATOM 353 CG1 VAL A 21 8.164 -1.066 3.152 1.00 1.45 C ATOM 354 CG2 VAL A 21 9.189 -1.988 5.292 1.00 41.54 C ATOM 0 H VAL A 21 8.444 -4.720 4.891 1.00 1.51 H new ATOM 0 HA VAL A 21 6.466 -2.580 4.817 1.00 34.23 H new ATOM 0 HB VAL A 21 9.123 -2.957 3.380 1.00 44.33 H new ATOM 0 HG11 VAL A 21 9.089 -0.511 2.995 1.00 1.45 H new ATOM 0 HG12 VAL A 21 7.743 -1.350 2.187 1.00 1.45 H new ATOM 0 HG13 VAL A 21 7.451 -0.439 3.688 1.00 1.45 H new ATOM 0 HG21 VAL A 21 10.077 -1.397 5.069 1.00 41.54 H new ATOM 0 HG22 VAL A 21 8.524 -1.414 5.938 1.00 41.54 H new ATOM 0 HG23 VAL A 21 9.483 -2.907 5.799 1.00 41.54 H new ATOM 364 N MET A 22 5.619 -2.825 2.428 1.00 62.44 N ATOM 365 CA MET A 22 4.963 -3.055 1.157 1.00 33.25 C ATOM 366 C MET A 22 4.846 -1.699 0.470 1.00 41.12 C ATOM 367 O MET A 22 4.105 -0.818 0.929 1.00 41.31 O ATOM 368 CB MET A 22 3.587 -3.713 1.434 1.00 42.33 C ATOM 369 CG MET A 22 2.785 -4.166 0.213 1.00 31.32 C ATOM 370 SD MET A 22 1.351 -5.140 0.725 1.00 54.23 S ATOM 371 CE MET A 22 0.486 -5.405 -0.816 1.00 44.35 C ATOM 0 H MET A 22 5.282 -1.996 2.918 1.00 62.44 H new ATOM 0 HA MET A 22 5.516 -3.729 0.503 1.00 33.25 H new ATOM 0 HB2 MET A 22 3.747 -4.579 2.077 1.00 42.33 H new ATOM 0 HB3 MET A 22 2.979 -3.006 1.998 1.00 42.33 H new ATOM 0 HG2 MET A 22 2.457 -3.297 -0.357 1.00 31.32 H new ATOM 0 HG3 MET A 22 3.419 -4.759 -0.446 1.00 31.32 H new ATOM 0 HE1 MET A 22 -0.533 -5.733 -0.610 1.00 44.35 H new ATOM 0 HE2 MET A 22 0.460 -4.475 -1.383 1.00 44.35 H new ATOM 0 HE3 MET A 22 1.003 -6.169 -1.396 1.00 44.35 H new ATOM 381 N ILE A 23 5.633 -1.522 -0.598 1.00 21.55 N ATOM 382 CA ILE A 23 5.633 -0.302 -1.396 1.00 3.41 C ATOM 383 C ILE A 23 4.448 -0.393 -2.357 1.00 31.44 C ATOM 384 O ILE A 23 4.335 -1.356 -3.116 1.00 22.15 O ATOM 385 CB ILE A 23 6.983 -0.110 -2.185 1.00 55.01 C ATOM 386 CG1 ILE A 23 8.215 -0.141 -1.213 1.00 64.23 C ATOM 387 CG2 ILE A 23 6.965 1.209 -3.008 1.00 41.41 C ATOM 388 CD1 ILE A 23 8.247 0.968 -0.163 1.00 21.44 C ATOM 0 H ILE A 23 6.289 -2.228 -0.930 1.00 21.55 H new ATOM 0 HA ILE A 23 5.542 0.566 -0.743 1.00 3.41 H new ATOM 0 HB ILE A 23 7.081 -0.943 -2.881 1.00 55.01 H new ATOM 0 HG12 ILE A 23 8.229 -1.103 -0.701 1.00 64.23 H new ATOM 0 HG13 ILE A 23 9.127 -0.083 -1.807 1.00 64.23 H new ATOM 0 HG21 ILE A 23 7.909 1.317 -3.543 1.00 41.41 H new ATOM 0 HG22 ILE A 23 6.143 1.180 -3.724 1.00 41.41 H new ATOM 0 HG23 ILE A 23 6.830 2.056 -2.335 1.00 41.41 H new ATOM 0 HD11 ILE A 23 9.137 0.857 0.457 1.00 21.44 H new ATOM 0 HD12 ILE A 23 8.270 1.938 -0.659 1.00 21.44 H new ATOM 0 HD13 ILE A 23 7.358 0.902 0.464 1.00 21.44 H new ATOM 400 N ILE A 24 3.535 0.569 -2.254 1.00 2.10 N ATOM 401 CA ILE A 24 2.278 0.608 -3.014 1.00 33.24 C ATOM 402 C ILE A 24 2.174 1.971 -3.702 1.00 11.13 C ATOM 403 O ILE A 24 2.668 2.954 -3.168 1.00 24.42 O ATOM 404 CB ILE A 24 1.049 0.393 -2.042 1.00 41.33 C ATOM 405 CG1 ILE A 24 1.155 -0.987 -1.308 1.00 4.32 C ATOM 406 CG2 ILE A 24 -0.306 0.529 -2.783 1.00 63.03 C ATOM 407 CD1 ILE A 24 0.132 -1.207 -0.207 1.00 53.43 C ATOM 0 H ILE A 24 3.647 1.365 -1.626 1.00 2.10 H new ATOM 0 HA ILE A 24 2.267 -0.187 -3.759 1.00 33.24 H new ATOM 0 HB ILE A 24 1.084 1.183 -1.292 1.00 41.33 H new ATOM 0 HG12 ILE A 24 1.050 -1.783 -2.045 1.00 4.32 H new ATOM 0 HG13 ILE A 24 2.153 -1.078 -0.880 1.00 4.32 H new ATOM 0 HG21 ILE A 24 -1.123 0.374 -2.078 1.00 63.03 H new ATOM 0 HG22 ILE A 24 -0.385 1.526 -3.217 1.00 63.03 H new ATOM 0 HG23 ILE A 24 -0.364 -0.217 -3.575 1.00 63.03 H new ATOM 0 HD11 ILE A 24 0.285 -2.189 0.241 1.00 53.43 H new ATOM 0 HD12 ILE A 24 0.248 -0.437 0.556 1.00 53.43 H new ATOM 0 HD13 ILE A 24 -0.872 -1.153 -0.627 1.00 53.43 H new ATOM 419 N LYS A 25 1.573 2.033 -4.894 1.00 21.13 N ATOM 420 CA LYS A 25 1.211 3.313 -5.524 1.00 42.42 C ATOM 421 C LYS A 25 -0.308 3.371 -5.716 1.00 42.42 C ATOM 422 O LYS A 25 -0.844 2.588 -6.511 1.00 65.22 O ATOM 423 CB LYS A 25 1.907 3.520 -6.887 1.00 31.31 C ATOM 424 CG LYS A 25 1.525 4.862 -7.570 1.00 14.31 C ATOM 425 CD LYS A 25 2.115 5.013 -8.979 1.00 71.01 C ATOM 426 CE LYS A 25 3.652 5.055 -8.986 1.00 14.13 C ATOM 427 NZ LYS A 25 4.179 5.244 -10.356 1.00 1.55 N ATOM 0 H LYS A 25 1.325 1.212 -5.446 1.00 21.13 H new ATOM 0 HA LYS A 25 1.548 4.110 -4.861 1.00 42.42 H new ATOM 0 HB2 LYS A 25 2.987 3.486 -6.745 1.00 31.31 H new ATOM 0 HB3 LYS A 25 1.647 2.695 -7.550 1.00 31.31 H new ATOM 0 HG2 LYS A 25 0.439 4.936 -7.628 1.00 14.31 H new ATOM 0 HG3 LYS A 25 1.869 5.689 -6.949 1.00 14.31 H new ATOM 0 HD2 LYS A 25 1.777 4.183 -9.599 1.00 71.01 H new ATOM 0 HD3 LYS A 25 1.730 5.927 -9.432 1.00 71.01 H new ATOM 0 HE2 LYS A 25 3.999 5.866 -8.346 1.00 14.13 H new ATOM 0 HE3 LYS A 25 4.045 4.128 -8.568 1.00 14.13 H new ATOM 0 HZ1 LYS A 25 5.218 5.268 -10.328 1.00 1.55 H new ATOM 0 HZ2 LYS A 25 3.867 4.457 -10.960 1.00 1.55 H new ATOM 0 HZ3 LYS A 25 3.822 6.140 -10.745 1.00 1.55 H new ATOM 441 N PRO A 26 -1.029 4.278 -4.992 1.00 40.33 N ATOM 442 CA PRO A 26 -2.437 4.572 -5.291 1.00 23.25 C ATOM 443 C PRO A 26 -2.568 5.177 -6.711 1.00 2.32 C ATOM 444 O PRO A 26 -1.871 6.144 -7.032 1.00 54.31 O ATOM 445 CB PRO A 26 -2.862 5.582 -4.185 1.00 43.41 C ATOM 446 CG PRO A 26 -1.788 5.522 -3.133 1.00 1.14 C ATOM 447 CD PRO A 26 -0.531 5.074 -3.839 1.00 63.24 C ATOM 0 HA PRO A 26 -3.072 3.686 -5.288 1.00 23.25 H new ATOM 0 HB2 PRO A 26 -2.954 6.589 -4.591 1.00 43.41 H new ATOM 0 HB3 PRO A 26 -3.833 5.317 -3.767 1.00 43.41 H new ATOM 0 HG2 PRO A 26 -1.646 6.497 -2.666 1.00 1.14 H new ATOM 0 HG3 PRO A 26 -2.058 4.825 -2.340 1.00 1.14 H new ATOM 0 HD2 PRO A 26 0.066 5.924 -4.169 1.00 63.24 H new ATOM 0 HD3 PRO A 26 0.102 4.475 -3.185 1.00 63.24 H new ATOM 455 N LEU A 27 -3.431 4.573 -7.554 1.00 31.22 N ATOM 456 CA LEU A 27 -3.693 5.039 -8.936 1.00 4.32 C ATOM 457 C LEU A 27 -4.307 6.453 -8.954 1.00 15.55 C ATOM 458 O LEU A 27 -4.145 7.196 -9.926 1.00 23.20 O ATOM 459 CB LEU A 27 -4.611 4.031 -9.679 1.00 12.22 C ATOM 460 CG LEU A 27 -3.987 2.621 -9.933 1.00 64.52 C ATOM 461 CD1 LEU A 27 -5.003 1.671 -10.595 1.00 21.04 C ATOM 462 CD2 LEU A 27 -2.689 2.729 -10.774 1.00 71.54 C ATOM 0 H LEU A 27 -3.969 3.745 -7.297 1.00 31.22 H new ATOM 0 HA LEU A 27 -2.737 5.094 -9.457 1.00 4.32 H new ATOM 0 HB2 LEU A 27 -5.527 3.906 -9.102 1.00 12.22 H new ATOM 0 HB3 LEU A 27 -4.895 4.463 -10.639 1.00 12.22 H new ATOM 0 HG LEU A 27 -3.722 2.196 -8.965 1.00 64.52 H new ATOM 0 HD11 LEU A 27 -4.539 0.698 -10.759 1.00 21.04 H new ATOM 0 HD12 LEU A 27 -5.870 1.554 -9.944 1.00 21.04 H new ATOM 0 HD13 LEU A 27 -5.321 2.087 -11.551 1.00 21.04 H new ATOM 0 HD21 LEU A 27 -2.276 1.733 -10.936 1.00 71.54 H new ATOM 0 HD22 LEU A 27 -2.916 3.188 -11.736 1.00 71.54 H new ATOM 0 HD23 LEU A 27 -1.961 3.342 -10.242 1.00 71.54 H new ATOM 474 N ASP A 28 -5.014 6.787 -7.864 1.00 53.01 N ATOM 475 CA ASP A 28 -5.603 8.122 -7.627 1.00 72.33 C ATOM 476 C ASP A 28 -4.520 9.196 -7.404 1.00 75.21 C ATOM 477 O ASP A 28 -4.729 10.379 -7.692 1.00 61.13 O ATOM 478 CB ASP A 28 -6.530 8.036 -6.385 1.00 4.23 C ATOM 479 CG ASP A 28 -7.266 9.348 -6.054 1.00 11.32 C ATOM 480 OD1 ASP A 28 -8.252 9.666 -6.758 1.00 5.23 O ATOM 481 OD2 ASP A 28 -6.872 10.059 -5.102 1.00 34.45 O ATOM 0 H ASP A 28 -5.198 6.129 -7.107 1.00 53.01 H new ATOM 0 HA ASP A 28 -6.170 8.417 -8.510 1.00 72.33 H new ATOM 0 HB2 ASP A 28 -7.268 7.251 -6.550 1.00 4.23 H new ATOM 0 HB3 ASP A 28 -5.935 7.739 -5.521 1.00 4.23 H new ATOM 486 N VAL A 29 -3.358 8.756 -6.902 1.00 72.33 N ATOM 487 CA VAL A 29 -2.286 9.637 -6.421 1.00 63.04 C ATOM 488 C VAL A 29 -1.083 9.669 -7.400 1.00 41.54 C ATOM 489 O VAL A 29 -0.564 8.623 -7.810 1.00 43.42 O ATOM 490 CB VAL A 29 -1.827 9.149 -4.999 1.00 40.41 C ATOM 491 CG1 VAL A 29 -0.576 9.888 -4.504 1.00 23.32 C ATOM 492 CG2 VAL A 29 -2.989 9.280 -3.976 1.00 12.41 C ATOM 0 H VAL A 29 -3.134 7.765 -6.818 1.00 72.33 H new ATOM 0 HA VAL A 29 -2.672 10.655 -6.359 1.00 63.04 H new ATOM 0 HB VAL A 29 -1.557 8.097 -5.091 1.00 40.41 H new ATOM 0 HG11 VAL A 29 -0.299 9.515 -3.518 1.00 23.32 H new ATOM 0 HG12 VAL A 29 0.246 9.719 -5.200 1.00 23.32 H new ATOM 0 HG13 VAL A 29 -0.785 10.956 -4.442 1.00 23.32 H new ATOM 0 HG21 VAL A 29 -2.653 8.938 -2.997 1.00 12.41 H new ATOM 0 HG22 VAL A 29 -3.299 10.323 -3.909 1.00 12.41 H new ATOM 0 HG23 VAL A 29 -3.832 8.672 -4.303 1.00 12.41 H new ATOM 502 N ASN A 30 -0.679 10.899 -7.774 1.00 61.20 N ATOM 503 CA ASN A 30 0.545 11.178 -8.567 1.00 12.43 C ATOM 504 C ASN A 30 1.417 12.241 -7.873 1.00 53.33 C ATOM 505 O ASN A 30 2.435 12.660 -8.432 1.00 43.32 O ATOM 506 CB ASN A 30 0.184 11.649 -10.011 1.00 55.24 C ATOM 507 CG ASN A 30 -0.443 10.561 -10.886 1.00 31.51 C ATOM 508 OD1 ASN A 30 -0.186 9.374 -10.708 1.00 54.52 O ATOM 509 ND2 ASN A 30 -1.250 10.965 -11.859 1.00 41.32 N ATOM 0 H ASN A 30 -1.199 11.743 -7.532 1.00 61.20 H new ATOM 0 HA ASN A 30 1.111 10.249 -8.636 1.00 12.43 H new ATOM 0 HB2 ASN A 30 -0.507 12.490 -9.945 1.00 55.24 H new ATOM 0 HB3 ASN A 30 1.087 12.016 -10.498 1.00 55.24 H new ATOM 0 HD21 ASN A 30 -1.676 10.282 -12.485 1.00 41.32 H new ATOM 0 HD22 ASN A 30 -1.444 11.959 -11.981 1.00 41.32 H new ATOM 516 N SER A 31 1.027 12.670 -6.655 1.00 2.25 N ATOM 517 CA SER A 31 1.740 13.718 -5.892 1.00 4.31 C ATOM 518 C SER A 31 1.958 13.272 -4.439 1.00 71.24 C ATOM 519 O SER A 31 1.228 12.418 -3.925 1.00 11.05 O ATOM 520 CB SER A 31 0.938 15.043 -5.936 1.00 55.44 C ATOM 521 OG SER A 31 0.605 15.389 -7.265 1.00 24.43 O ATOM 0 H SER A 31 0.209 12.300 -6.172 1.00 2.25 H new ATOM 0 HA SER A 31 2.716 13.881 -6.350 1.00 4.31 H new ATOM 0 HB2 SER A 31 0.028 14.942 -5.344 1.00 55.44 H new ATOM 0 HB3 SER A 31 1.525 15.843 -5.484 1.00 55.44 H new ATOM 0 HG SER A 31 0.098 16.228 -7.267 1.00 24.43 H new ATOM 527 N ARG A 32 2.959 13.886 -3.786 1.00 13.53 N ATOM 528 CA ARG A 32 3.328 13.592 -2.392 1.00 65.01 C ATOM 529 C ARG A 32 2.189 13.960 -1.429 1.00 24.44 C ATOM 530 O ARG A 32 1.892 13.200 -0.519 1.00 44.54 O ATOM 531 CB ARG A 32 4.615 14.358 -1.987 1.00 63.23 C ATOM 532 CG ARG A 32 5.061 14.145 -0.523 1.00 2.41 C ATOM 533 CD ARG A 32 6.381 14.850 -0.187 1.00 62.40 C ATOM 534 NE ARG A 32 6.693 14.745 1.246 1.00 60.14 N ATOM 535 CZ ARG A 32 7.889 14.972 1.803 1.00 22.24 C ATOM 536 NH1 ARG A 32 8.943 15.317 1.068 1.00 42.25 N ATOM 537 NH2 ARG A 32 8.013 14.878 3.115 1.00 53.15 N ATOM 0 H ARG A 32 3.540 14.607 -4.215 1.00 13.53 H new ATOM 0 HA ARG A 32 3.515 12.520 -2.324 1.00 65.01 H new ATOM 0 HB2 ARG A 32 5.426 14.052 -2.648 1.00 63.23 H new ATOM 0 HB3 ARG A 32 4.454 15.423 -2.152 1.00 63.23 H new ATOM 0 HG2 ARG A 32 4.281 14.510 0.145 1.00 2.41 H new ATOM 0 HG3 ARG A 32 5.168 13.077 -0.334 1.00 2.41 H new ATOM 0 HD2 ARG A 32 7.190 14.410 -0.771 1.00 62.40 H new ATOM 0 HD3 ARG A 32 6.318 15.900 -0.472 1.00 62.40 H new ATOM 0 HE ARG A 32 5.932 14.476 1.870 1.00 60.14 H new ATOM 0 HH11 ARG A 32 8.850 15.414 0.057 1.00 42.25 H new ATOM 0 HH12 ARG A 32 9.844 15.485 1.516 1.00 42.25 H new ATOM 0 HH21 ARG A 32 7.204 14.636 3.688 1.00 53.15 H new ATOM 0 HH22 ARG A 32 8.917 15.048 3.555 1.00 53.15 H new ATOM 551 N GLU A 33 1.566 15.133 -1.662 1.00 61.22 N ATOM 552 CA GLU A 33 0.524 15.697 -0.771 1.00 60.32 C ATOM 553 C GLU A 33 -0.727 14.799 -0.741 1.00 64.40 C ATOM 554 O GLU A 33 -1.321 14.582 0.324 1.00 10.30 O ATOM 555 CB GLU A 33 0.175 17.133 -1.236 1.00 52.53 C ATOM 556 CG GLU A 33 1.407 18.065 -1.284 1.00 64.44 C ATOM 557 CD GLU A 33 1.112 19.458 -1.853 1.00 73.43 C ATOM 558 OE1 GLU A 33 0.781 19.553 -3.050 1.00 75.14 O ATOM 559 OE2 GLU A 33 1.204 20.459 -1.109 1.00 52.21 O ATOM 0 H GLU A 33 1.769 15.718 -2.472 1.00 61.22 H new ATOM 0 HA GLU A 33 0.910 15.739 0.247 1.00 60.32 H new ATOM 0 HB2 GLU A 33 -0.280 17.089 -2.226 1.00 52.53 H new ATOM 0 HB3 GLU A 33 -0.569 17.557 -0.562 1.00 52.53 H new ATOM 0 HG2 GLU A 33 1.808 18.173 -0.276 1.00 64.44 H new ATOM 0 HG3 GLU A 33 2.183 17.594 -1.887 1.00 64.44 H new ATOM 566 N GLU A 34 -1.072 14.250 -1.927 1.00 72.31 N ATOM 567 CA GLU A 34 -2.195 13.299 -2.100 1.00 65.53 C ATOM 568 C GLU A 34 -1.913 11.986 -1.336 1.00 65.32 C ATOM 569 O GLU A 34 -2.827 11.352 -0.815 1.00 0.35 O ATOM 570 CB GLU A 34 -2.426 12.992 -3.609 1.00 64.10 C ATOM 571 CG GLU A 34 -2.630 14.221 -4.504 1.00 50.13 C ATOM 572 CD GLU A 34 -2.845 13.861 -5.985 1.00 2.21 C ATOM 573 OE1 GLU A 34 -1.875 13.437 -6.650 1.00 63.24 O ATOM 574 OE2 GLU A 34 -3.975 13.997 -6.494 1.00 51.22 O ATOM 0 H GLU A 34 -0.578 14.454 -2.795 1.00 72.31 H new ATOM 0 HA GLU A 34 -3.095 13.760 -1.693 1.00 65.53 H new ATOM 0 HB2 GLU A 34 -1.571 12.428 -3.983 1.00 64.10 H new ATOM 0 HB3 GLU A 34 -3.299 12.346 -3.702 1.00 64.10 H new ATOM 0 HG2 GLU A 34 -3.491 14.786 -4.145 1.00 50.13 H new ATOM 0 HG3 GLU A 34 -1.762 14.874 -4.417 1.00 50.13 H new ATOM 581 N ALA A 35 -0.625 11.606 -1.289 1.00 13.20 N ATOM 582 CA ALA A 35 -0.142 10.405 -0.580 1.00 52.33 C ATOM 583 C ALA A 35 0.043 10.674 0.931 1.00 40.01 C ATOM 584 O ALA A 35 -0.043 9.755 1.751 1.00 33.53 O ATOM 585 CB ALA A 35 1.183 9.949 -1.219 1.00 22.34 C ATOM 0 H ALA A 35 0.121 12.130 -1.747 1.00 13.20 H new ATOM 0 HA ALA A 35 -0.887 9.615 -0.674 1.00 52.33 H new ATOM 0 HB1 ALA A 35 1.549 9.062 -0.703 1.00 22.34 H new ATOM 0 HB2 ALA A 35 1.018 9.715 -2.271 1.00 22.34 H new ATOM 0 HB3 ALA A 35 1.921 10.747 -1.136 1.00 22.34 H new ATOM 591 N SER A 36 0.292 11.950 1.283 1.00 52.42 N ATOM 592 CA SER A 36 0.655 12.371 2.650 1.00 2.33 C ATOM 593 C SER A 36 -0.592 12.522 3.525 1.00 54.33 C ATOM 594 O SER A 36 -0.513 12.440 4.755 1.00 13.43 O ATOM 595 CB SER A 36 1.450 13.688 2.591 1.00 1.20 C ATOM 596 OG SER A 36 1.921 14.089 3.870 1.00 61.11 O ATOM 0 H SER A 36 0.246 12.724 0.621 1.00 52.42 H new ATOM 0 HA SER A 36 1.281 11.602 3.102 1.00 2.33 H new ATOM 0 HB2 SER A 36 2.297 13.569 1.915 1.00 1.20 H new ATOM 0 HB3 SER A 36 0.818 14.473 2.176 1.00 1.20 H new ATOM 0 HG SER A 36 2.421 14.928 3.786 1.00 61.11 H new ATOM 602 N LYS A 37 -1.747 12.751 2.888 1.00 55.43 N ATOM 603 CA LYS A 37 -3.049 12.723 3.573 1.00 11.44 C ATOM 604 C LYS A 37 -3.571 11.276 3.701 1.00 75.42 C ATOM 605 O LYS A 37 -4.665 11.051 4.224 1.00 10.14 O ATOM 606 CB LYS A 37 -4.067 13.626 2.837 1.00 72.13 C ATOM 607 CG LYS A 37 -4.376 13.209 1.381 1.00 44.25 C ATOM 608 CD LYS A 37 -5.366 14.174 0.675 1.00 71.12 C ATOM 609 CE LYS A 37 -6.726 14.263 1.395 1.00 23.10 C ATOM 610 NZ LYS A 37 -7.675 15.151 0.681 1.00 71.22 N ATOM 0 H LYS A 37 -1.808 12.959 1.891 1.00 55.43 H new ATOM 0 HA LYS A 37 -2.918 13.116 4.581 1.00 11.44 H new ATOM 0 HB2 LYS A 37 -4.999 13.634 3.403 1.00 72.13 H new ATOM 0 HB3 LYS A 37 -3.688 14.648 2.834 1.00 72.13 H new ATOM 0 HG2 LYS A 37 -3.446 13.171 0.814 1.00 44.25 H new ATOM 0 HG3 LYS A 37 -4.793 12.202 1.377 1.00 44.25 H new ATOM 0 HD2 LYS A 37 -4.922 15.168 0.622 1.00 71.12 H new ATOM 0 HD3 LYS A 37 -5.524 13.840 -0.350 1.00 71.12 H new ATOM 0 HE2 LYS A 37 -7.157 13.265 1.480 1.00 23.10 H new ATOM 0 HE3 LYS A 37 -6.576 14.633 2.409 1.00 23.10 H new ATOM 0 HZ1 LYS A 37 -8.577 15.183 1.198 1.00 71.22 H new ATOM 0 HZ2 LYS A 37 -7.276 16.109 0.622 1.00 71.22 H new ATOM 0 HZ3 LYS A 37 -7.839 14.784 -0.278 1.00 71.22 H new ATOM 624 N LEU A 38 -2.776 10.297 3.212 1.00 54.53 N ATOM 625 CA LEU A 38 -3.080 8.862 3.346 1.00 24.10 C ATOM 626 C LEU A 38 -2.239 8.213 4.459 1.00 51.50 C ATOM 627 O LEU A 38 -2.229 6.988 4.590 1.00 44.24 O ATOM 628 CB LEU A 38 -2.865 8.127 1.994 1.00 12.04 C ATOM 629 CG LEU A 38 -3.723 8.641 0.800 1.00 14.00 C ATOM 630 CD1 LEU A 38 -3.482 7.794 -0.470 1.00 12.11 C ATOM 631 CD2 LEU A 38 -5.225 8.713 1.174 1.00 4.51 C ATOM 0 H LEU A 38 -1.906 10.484 2.714 1.00 54.53 H new ATOM 0 HA LEU A 38 -4.129 8.769 3.626 1.00 24.10 H new ATOM 0 HB2 LEU A 38 -1.813 8.207 1.722 1.00 12.04 H new ATOM 0 HB3 LEU A 38 -3.077 7.068 2.140 1.00 12.04 H new ATOM 0 HG LEU A 38 -3.402 9.658 0.572 1.00 14.00 H new ATOM 0 HD11 LEU A 38 -4.095 8.178 -1.285 1.00 12.11 H new ATOM 0 HD12 LEU A 38 -2.430 7.849 -0.750 1.00 12.11 H new ATOM 0 HD13 LEU A 38 -3.751 6.756 -0.272 1.00 12.11 H new ATOM 0 HD21 LEU A 38 -5.796 9.075 0.319 1.00 4.51 H new ATOM 0 HD22 LEU A 38 -5.579 7.720 1.452 1.00 4.51 H new ATOM 0 HD23 LEU A 38 -5.358 9.394 2.014 1.00 4.51 H new ATOM 643 N ILE A 39 -1.570 9.035 5.284 1.00 34.32 N ATOM 644 CA ILE A 39 -0.837 8.542 6.462 1.00 21.14 C ATOM 645 C ILE A 39 -1.840 8.148 7.564 1.00 41.24 C ATOM 646 O ILE A 39 -2.767 8.905 7.876 1.00 11.53 O ATOM 647 CB ILE A 39 0.189 9.602 7.009 1.00 20.23 C ATOM 648 CG1 ILE A 39 1.214 10.010 5.904 1.00 42.12 C ATOM 649 CG2 ILE A 39 0.919 9.087 8.276 1.00 42.35 C ATOM 650 CD1 ILE A 39 1.996 8.861 5.302 1.00 62.22 C ATOM 0 H ILE A 39 -1.522 10.046 5.157 1.00 34.32 H new ATOM 0 HA ILE A 39 -0.261 7.668 6.157 1.00 21.14 H new ATOM 0 HB ILE A 39 -0.377 10.489 7.293 1.00 20.23 H new ATOM 0 HG12 ILE A 39 0.679 10.524 5.105 1.00 42.12 H new ATOM 0 HG13 ILE A 39 1.918 10.726 6.329 1.00 42.12 H new ATOM 0 HG21 ILE A 39 1.620 9.845 8.626 1.00 42.35 H new ATOM 0 HG22 ILE A 39 0.188 8.880 9.058 1.00 42.35 H new ATOM 0 HG23 ILE A 39 1.463 8.173 8.036 1.00 42.35 H new ATOM 0 HD11 ILE A 39 2.681 9.244 4.545 1.00 62.22 H new ATOM 0 HD12 ILE A 39 2.564 8.358 6.085 1.00 62.22 H new ATOM 0 HD13 ILE A 39 1.306 8.153 4.842 1.00 62.22 H new ATOM 662 N GLY A 40 -1.659 6.939 8.121 1.00 64.53 N ATOM 663 CA GLY A 40 -2.558 6.400 9.138 1.00 32.50 C ATOM 664 C GLY A 40 -3.705 5.597 8.537 1.00 20.45 C ATOM 665 O GLY A 40 -4.544 5.087 9.277 1.00 65.40 O ATOM 0 H GLY A 40 -0.889 6.316 7.877 1.00 64.53 H new ATOM 0 HA2 GLY A 40 -1.992 5.765 9.819 1.00 32.50 H new ATOM 0 HA3 GLY A 40 -2.964 7.220 9.731 1.00 32.50 H new ATOM 669 N ARG A 41 -3.728 5.465 7.195 1.00 4.44 N ATOM 670 CA ARG A 41 -4.787 4.731 6.476 1.00 23.22 C ATOM 671 C ARG A 41 -4.496 3.228 6.508 1.00 14.34 C ATOM 672 O ARG A 41 -3.344 2.810 6.335 1.00 64.11 O ATOM 673 CB ARG A 41 -4.927 5.250 5.009 1.00 35.41 C ATOM 674 CG ARG A 41 -5.777 6.542 4.834 1.00 52.42 C ATOM 675 CD ARG A 41 -5.478 7.633 5.886 1.00 74.44 C ATOM 676 NE ARG A 41 -6.102 8.924 5.566 1.00 21.24 N ATOM 677 CZ ARG A 41 -6.518 9.836 6.465 1.00 30.32 C ATOM 678 NH1 ARG A 41 -6.392 9.629 7.767 1.00 22.31 N ATOM 679 NH2 ARG A 41 -7.036 10.972 6.030 1.00 65.34 N ATOM 0 H ARG A 41 -3.016 5.863 6.582 1.00 4.44 H new ATOM 0 HA ARG A 41 -5.739 4.908 6.977 1.00 23.22 H new ATOM 0 HB2 ARG A 41 -3.929 5.436 4.611 1.00 35.41 H new ATOM 0 HB3 ARG A 41 -5.370 4.460 4.403 1.00 35.41 H new ATOM 0 HG2 ARG A 41 -5.599 6.951 3.839 1.00 52.42 H new ATOM 0 HG3 ARG A 41 -6.834 6.280 4.886 1.00 52.42 H new ATOM 0 HD2 ARG A 41 -5.831 7.297 6.861 1.00 74.44 H new ATOM 0 HD3 ARG A 41 -4.399 7.767 5.966 1.00 74.44 H new ATOM 0 HE ARG A 41 -6.231 9.148 4.579 1.00 21.24 H new ATOM 0 HH11 ARG A 41 -5.972 8.764 8.108 1.00 22.31 H new ATOM 0 HH12 ARG A 41 -6.715 10.335 8.429 1.00 22.31 H new ATOM 0 HH21 ARG A 41 -7.115 11.146 5.028 1.00 65.34 H new ATOM 0 HH22 ARG A 41 -7.356 11.675 6.696 1.00 65.34 H new ATOM 693 N LEU A 42 -5.555 2.435 6.723 1.00 4.21 N ATOM 694 CA LEU A 42 -5.459 0.980 6.864 1.00 73.03 C ATOM 695 C LEU A 42 -5.614 0.344 5.482 1.00 72.23 C ATOM 696 O LEU A 42 -6.685 0.425 4.865 1.00 2.32 O ATOM 697 CB LEU A 42 -6.560 0.461 7.827 1.00 10.24 C ATOM 698 CG LEU A 42 -6.622 -1.090 8.053 1.00 50.42 C ATOM 699 CD1 LEU A 42 -5.334 -1.627 8.718 1.00 24.23 C ATOM 700 CD2 LEU A 42 -7.878 -1.477 8.860 1.00 74.12 C ATOM 0 H LEU A 42 -6.508 2.790 6.804 1.00 4.21 H new ATOM 0 HA LEU A 42 -4.490 0.711 7.284 1.00 73.03 H new ATOM 0 HB2 LEU A 42 -6.419 0.941 8.795 1.00 10.24 H new ATOM 0 HB3 LEU A 42 -7.527 0.789 7.446 1.00 10.24 H new ATOM 0 HG LEU A 42 -6.693 -1.563 7.073 1.00 50.42 H new ATOM 0 HD11 LEU A 42 -5.418 -2.705 8.857 1.00 24.23 H new ATOM 0 HD12 LEU A 42 -4.477 -1.409 8.080 1.00 24.23 H new ATOM 0 HD13 LEU A 42 -5.197 -1.146 9.687 1.00 24.23 H new ATOM 0 HD21 LEU A 42 -7.899 -2.557 9.004 1.00 74.12 H new ATOM 0 HD22 LEU A 42 -7.854 -0.982 9.831 1.00 74.12 H new ATOM 0 HD23 LEU A 42 -8.770 -1.166 8.316 1.00 74.12 H new ATOM 712 N VAL A 43 -4.537 -0.274 5.005 1.00 14.21 N ATOM 713 CA VAL A 43 -4.492 -0.914 3.695 1.00 43.23 C ATOM 714 C VAL A 43 -4.730 -2.424 3.860 1.00 1.33 C ATOM 715 O VAL A 43 -3.945 -3.121 4.518 1.00 63.55 O ATOM 716 CB VAL A 43 -3.127 -0.654 2.970 1.00 64.41 C ATOM 717 CG1 VAL A 43 -3.165 -1.204 1.523 1.00 23.31 C ATOM 718 CG2 VAL A 43 -2.766 0.849 2.991 1.00 64.45 C ATOM 0 H VAL A 43 -3.662 -0.345 5.524 1.00 14.21 H new ATOM 0 HA VAL A 43 -5.276 -0.482 3.074 1.00 43.23 H new ATOM 0 HB VAL A 43 -2.345 -1.187 3.511 1.00 64.41 H new ATOM 0 HG11 VAL A 43 -2.208 -1.014 1.036 1.00 23.31 H new ATOM 0 HG12 VAL A 43 -3.353 -2.277 1.547 1.00 23.31 H new ATOM 0 HG13 VAL A 43 -3.960 -0.708 0.966 1.00 23.31 H new ATOM 0 HG21 VAL A 43 -1.815 1.002 2.482 1.00 64.45 H new ATOM 0 HG22 VAL A 43 -3.545 1.417 2.483 1.00 64.45 H new ATOM 0 HG23 VAL A 43 -2.683 1.189 4.023 1.00 64.45 H new ATOM 728 N LEU A 44 -5.835 -2.893 3.287 1.00 25.04 N ATOM 729 CA LEU A 44 -6.229 -4.300 3.279 1.00 62.22 C ATOM 730 C LEU A 44 -5.897 -4.892 1.903 1.00 12.21 C ATOM 731 O LEU A 44 -6.259 -4.306 0.874 1.00 24.23 O ATOM 732 CB LEU A 44 -7.753 -4.403 3.562 1.00 35.40 C ATOM 733 CG LEU A 44 -8.242 -3.732 4.888 1.00 21.23 C ATOM 734 CD1 LEU A 44 -9.781 -3.683 4.960 1.00 1.13 C ATOM 735 CD2 LEU A 44 -7.638 -4.434 6.129 1.00 3.13 C ATOM 0 H LEU A 44 -6.499 -2.289 2.802 1.00 25.04 H new ATOM 0 HA LEU A 44 -5.692 -4.854 4.049 1.00 62.22 H new ATOM 0 HB2 LEU A 44 -8.290 -3.952 2.728 1.00 35.40 H new ATOM 0 HB3 LEU A 44 -8.029 -5.457 3.586 1.00 35.40 H new ATOM 0 HG LEU A 44 -7.884 -2.702 4.887 1.00 21.23 H new ATOM 0 HD11 LEU A 44 -10.087 -3.211 5.894 1.00 1.13 H new ATOM 0 HD12 LEU A 44 -10.166 -3.107 4.119 1.00 1.13 H new ATOM 0 HD13 LEU A 44 -10.180 -4.697 4.918 1.00 1.13 H new ATOM 0 HD21 LEU A 44 -7.997 -3.945 7.034 1.00 3.13 H new ATOM 0 HD22 LEU A 44 -7.941 -5.481 6.138 1.00 3.13 H new ATOM 0 HD23 LEU A 44 -6.551 -4.371 6.089 1.00 3.13 H new ATOM 747 N TRP A 45 -5.196 -6.029 1.883 1.00 20.20 N ATOM 748 CA TRP A 45 -4.882 -6.756 0.648 1.00 23.44 C ATOM 749 C TRP A 45 -4.962 -8.263 0.908 1.00 32.31 C ATOM 750 O TRP A 45 -4.329 -8.768 1.830 1.00 5.03 O ATOM 751 CB TRP A 45 -3.482 -6.376 0.110 1.00 40.44 C ATOM 752 CG TRP A 45 -3.146 -7.058 -1.200 1.00 74.02 C ATOM 753 CD1 TRP A 45 -3.722 -6.816 -2.417 1.00 70.33 C ATOM 754 CD2 TRP A 45 -2.186 -8.102 -1.419 1.00 71.25 C ATOM 755 NE1 TRP A 45 -3.169 -7.621 -3.369 1.00 4.33 N ATOM 756 CE2 TRP A 45 -2.227 -8.421 -2.787 1.00 50.32 C ATOM 757 CE3 TRP A 45 -1.296 -8.785 -0.600 1.00 60.34 C ATOM 758 CZ2 TRP A 45 -1.418 -9.393 -3.350 1.00 65.44 C ATOM 759 CZ3 TRP A 45 -0.488 -9.755 -1.158 1.00 34.02 C ATOM 760 CH2 TRP A 45 -0.554 -10.052 -2.524 1.00 30.41 C ATOM 0 H TRP A 45 -4.829 -6.473 2.725 1.00 20.20 H new ATOM 0 HA TRP A 45 -5.613 -6.478 -0.112 1.00 23.44 H new ATOM 0 HB2 TRP A 45 -3.432 -5.296 -0.026 1.00 40.44 H new ATOM 0 HB3 TRP A 45 -2.730 -6.639 0.854 1.00 40.44 H new ATOM 0 HD1 TRP A 45 -4.502 -6.092 -2.598 1.00 70.33 H new ATOM 0 HE1 TRP A 45 -3.419 -7.625 -4.358 1.00 4.33 H new ATOM 0 HE3 TRP A 45 -1.237 -8.561 0.455 1.00 60.34 H new ATOM 0 HZ2 TRP A 45 -1.469 -9.622 -4.404 1.00 65.44 H new ATOM 0 HZ3 TRP A 45 0.206 -10.294 -0.530 1.00 34.02 H new ATOM 0 HH2 TRP A 45 0.090 -10.817 -2.932 1.00 30.41 H new ATOM 771 N LYS A 46 -5.734 -8.975 0.081 1.00 13.12 N ATOM 772 CA LYS A 46 -5.863 -10.429 0.163 1.00 54.24 C ATOM 773 C LYS A 46 -4.783 -11.082 -0.720 1.00 12.44 C ATOM 774 O LYS A 46 -4.780 -10.891 -1.943 1.00 4.53 O ATOM 775 CB LYS A 46 -7.282 -10.868 -0.276 1.00 33.44 C ATOM 776 CG LYS A 46 -7.547 -12.391 -0.167 1.00 53.02 C ATOM 777 CD LYS A 46 -8.997 -12.779 -0.535 1.00 64.41 C ATOM 778 CE LYS A 46 -9.371 -12.434 -1.993 1.00 74.52 C ATOM 779 NZ LYS A 46 -8.583 -13.216 -2.975 1.00 60.10 N ATOM 0 H LYS A 46 -6.288 -8.555 -0.666 1.00 13.12 H new ATOM 0 HA LYS A 46 -5.720 -10.753 1.194 1.00 54.24 H new ATOM 0 HB2 LYS A 46 -8.016 -10.340 0.332 1.00 33.44 H new ATOM 0 HB3 LYS A 46 -7.441 -10.557 -1.309 1.00 33.44 H new ATOM 0 HG2 LYS A 46 -6.857 -12.922 -0.823 1.00 53.02 H new ATOM 0 HG3 LYS A 46 -7.336 -12.719 0.851 1.00 53.02 H new ATOM 0 HD2 LYS A 46 -9.131 -13.849 -0.377 1.00 64.41 H new ATOM 0 HD3 LYS A 46 -9.685 -12.269 0.140 1.00 64.41 H new ATOM 0 HE2 LYS A 46 -10.433 -12.624 -2.148 1.00 74.52 H new ATOM 0 HE3 LYS A 46 -9.209 -11.370 -2.165 1.00 74.52 H new ATOM 0 HZ1 LYS A 46 -8.892 -12.975 -3.938 1.00 60.10 H new ATOM 0 HZ2 LYS A 46 -7.573 -12.990 -2.869 1.00 60.10 H new ATOM 0 HZ3 LYS A 46 -8.730 -14.232 -2.808 1.00 60.10 H new ATOM 793 N SER A 47 -3.855 -11.812 -0.078 1.00 1.40 N ATOM 794 CA SER A 47 -2.812 -12.608 -0.765 1.00 75.52 C ATOM 795 C SER A 47 -3.446 -13.763 -1.591 1.00 34.43 C ATOM 796 O SER A 47 -4.586 -14.158 -1.307 1.00 22.35 O ATOM 797 CB SER A 47 -1.816 -13.167 0.290 1.00 52.52 C ATOM 798 OG SER A 47 -2.458 -14.038 1.204 1.00 74.52 O ATOM 0 H SER A 47 -3.803 -11.870 0.939 1.00 1.40 H new ATOM 0 HA SER A 47 -2.275 -11.964 -1.462 1.00 75.52 H new ATOM 0 HB2 SER A 47 -1.010 -13.699 -0.216 1.00 52.52 H new ATOM 0 HB3 SER A 47 -1.360 -12.340 0.834 1.00 52.52 H new ATOM 0 HG SER A 47 -3.138 -13.542 1.706 1.00 74.52 H new ATOM 804 N PRO A 48 -2.723 -14.322 -2.632 1.00 1.03 N ATOM 805 CA PRO A 48 -3.223 -15.463 -3.467 1.00 22.42 C ATOM 806 C PRO A 48 -3.533 -16.738 -2.645 1.00 60.32 C ATOM 807 O PRO A 48 -4.290 -17.607 -3.094 1.00 40.32 O ATOM 808 CB PRO A 48 -2.063 -15.714 -4.474 1.00 23.01 C ATOM 809 CG PRO A 48 -0.862 -15.121 -3.807 1.00 61.13 C ATOM 810 CD PRO A 48 -1.375 -13.887 -3.101 1.00 42.43 C ATOM 0 HA PRO A 48 -4.173 -15.221 -3.944 1.00 22.42 H new ATOM 0 HB2 PRO A 48 -1.926 -16.778 -4.667 1.00 23.01 H new ATOM 0 HB3 PRO A 48 -2.260 -15.239 -5.435 1.00 23.01 H new ATOM 0 HG2 PRO A 48 -0.416 -15.822 -3.102 1.00 61.13 H new ATOM 0 HG3 PRO A 48 -0.091 -14.867 -4.535 1.00 61.13 H new ATOM 0 HD2 PRO A 48 -0.731 -13.597 -2.271 1.00 42.43 H new ATOM 0 HD3 PRO A 48 -1.436 -13.031 -3.773 1.00 42.43 H new ATOM 818 N SER A 49 -2.941 -16.817 -1.431 1.00 0.04 N ATOM 819 CA SER A 49 -3.161 -17.922 -0.479 1.00 15.41 C ATOM 820 C SER A 49 -4.542 -17.825 0.225 1.00 33.11 C ATOM 821 O SER A 49 -4.894 -18.709 1.010 1.00 64.43 O ATOM 822 CB SER A 49 -2.018 -17.919 0.568 1.00 30.32 C ATOM 823 OG SER A 49 -0.746 -17.980 -0.060 1.00 64.23 O ATOM 0 H SER A 49 -2.293 -16.109 -1.085 1.00 0.04 H new ATOM 0 HA SER A 49 -3.158 -18.859 -1.036 1.00 15.41 H new ATOM 0 HB2 SER A 49 -2.082 -17.018 1.178 1.00 30.32 H new ATOM 0 HB3 SER A 49 -2.135 -18.768 1.241 1.00 30.32 H new ATOM 0 HG SER A 49 -0.043 -17.975 0.623 1.00 64.23 H new ATOM 829 N GLY A 50 -5.302 -16.743 -0.064 1.00 15.22 N ATOM 830 CA GLY A 50 -6.629 -16.511 0.531 1.00 51.13 C ATOM 831 C GLY A 50 -6.559 -15.827 1.886 1.00 41.42 C ATOM 832 O GLY A 50 -7.572 -15.714 2.587 1.00 41.10 O ATOM 0 H GLY A 50 -5.010 -16.013 -0.713 1.00 15.22 H new ATOM 0 HA2 GLY A 50 -7.224 -15.900 -0.148 1.00 51.13 H new ATOM 0 HA3 GLY A 50 -7.145 -17.465 0.638 1.00 51.13 H new ATOM 836 N LYS A 51 -5.357 -15.357 2.246 1.00 73.04 N ATOM 837 CA LYS A 51 -5.080 -14.757 3.553 1.00 30.45 C ATOM 838 C LYS A 51 -5.182 -13.240 3.462 1.00 15.02 C ATOM 839 O LYS A 51 -4.606 -12.626 2.560 1.00 74.31 O ATOM 840 CB LYS A 51 -3.669 -15.167 4.028 1.00 13.13 C ATOM 841 CG LYS A 51 -3.470 -16.688 4.164 1.00 22.31 C ATOM 842 CD LYS A 51 -4.342 -17.321 5.277 1.00 4.32 C ATOM 843 CE LYS A 51 -3.960 -16.829 6.684 1.00 73.22 C ATOM 844 NZ LYS A 51 -4.796 -17.459 7.735 1.00 33.43 N ATOM 0 H LYS A 51 -4.544 -15.384 1.631 1.00 73.04 H new ATOM 0 HA LYS A 51 -5.815 -15.116 4.274 1.00 30.45 H new ATOM 0 HB2 LYS A 51 -2.933 -14.776 3.326 1.00 13.13 H new ATOM 0 HB3 LYS A 51 -3.471 -14.698 4.992 1.00 13.13 H new ATOM 0 HG2 LYS A 51 -3.705 -17.165 3.212 1.00 22.31 H new ATOM 0 HG3 LYS A 51 -2.420 -16.893 4.373 1.00 22.31 H new ATOM 0 HD2 LYS A 51 -5.390 -17.089 5.088 1.00 4.32 H new ATOM 0 HD3 LYS A 51 -4.244 -18.406 5.237 1.00 4.32 H new ATOM 0 HE2 LYS A 51 -2.910 -17.051 6.874 1.00 73.22 H new ATOM 0 HE3 LYS A 51 -4.071 -15.746 6.733 1.00 73.22 H new ATOM 0 HZ1 LYS A 51 -4.508 -17.102 8.668 1.00 33.43 H new ATOM 0 HZ2 LYS A 51 -5.796 -17.227 7.569 1.00 33.43 H new ATOM 0 HZ3 LYS A 51 -4.671 -18.491 7.706 1.00 33.43 H new ATOM 858 N ILE A 52 -5.900 -12.644 4.408 1.00 2.23 N ATOM 859 CA ILE A 52 -6.111 -11.192 4.440 1.00 70.33 C ATOM 860 C ILE A 52 -4.934 -10.515 5.163 1.00 50.24 C ATOM 861 O ILE A 52 -4.821 -10.565 6.400 1.00 72.10 O ATOM 862 CB ILE A 52 -7.478 -10.798 5.106 1.00 33.01 C ATOM 863 CG1 ILE A 52 -8.675 -11.462 4.334 1.00 64.11 C ATOM 864 CG2 ILE A 52 -7.630 -9.253 5.164 1.00 12.22 C ATOM 865 CD1 ILE A 52 -10.057 -11.147 4.894 1.00 61.24 C ATOM 0 H ILE A 52 -6.352 -13.146 5.172 1.00 2.23 H new ATOM 0 HA ILE A 52 -6.157 -10.839 3.410 1.00 70.33 H new ATOM 0 HB ILE A 52 -7.491 -11.172 6.130 1.00 33.01 H new ATOM 0 HG12 ILE A 52 -8.639 -11.140 3.293 1.00 64.11 H new ATOM 0 HG13 ILE A 52 -8.535 -12.543 4.338 1.00 64.11 H new ATOM 0 HG21 ILE A 52 -8.583 -8.998 5.628 1.00 12.22 H new ATOM 0 HG22 ILE A 52 -6.815 -8.829 5.751 1.00 12.22 H new ATOM 0 HG23 ILE A 52 -7.599 -8.846 4.153 1.00 12.22 H new ATOM 0 HD11 ILE A 52 -10.816 -11.650 4.295 1.00 61.24 H new ATOM 0 HD12 ILE A 52 -10.120 -11.495 5.925 1.00 61.24 H new ATOM 0 HD13 ILE A 52 -10.225 -10.070 4.863 1.00 61.24 H new ATOM 877 N LEU A 53 -4.028 -9.934 4.368 1.00 42.32 N ATOM 878 CA LEU A 53 -2.885 -9.174 4.875 1.00 54.42 C ATOM 879 C LEU A 53 -3.353 -7.756 5.240 1.00 71.10 C ATOM 880 O LEU A 53 -4.007 -7.085 4.439 1.00 4.34 O ATOM 881 CB LEU A 53 -1.730 -9.129 3.831 1.00 52.31 C ATOM 882 CG LEU A 53 -1.296 -10.496 3.202 1.00 5.33 C ATOM 883 CD1 LEU A 53 0.051 -10.375 2.457 1.00 30.54 C ATOM 884 CD2 LEU A 53 -1.261 -11.630 4.249 1.00 2.25 C ATOM 0 H LEU A 53 -4.070 -9.979 3.350 1.00 42.32 H new ATOM 0 HA LEU A 53 -2.492 -9.667 5.764 1.00 54.42 H new ATOM 0 HB2 LEU A 53 -2.028 -8.462 3.022 1.00 52.31 H new ATOM 0 HB3 LEU A 53 -0.858 -8.682 4.308 1.00 52.31 H new ATOM 0 HG LEU A 53 -2.056 -10.762 2.467 1.00 5.33 H new ATOM 0 HD11 LEU A 53 0.321 -11.342 2.033 1.00 30.54 H new ATOM 0 HD12 LEU A 53 -0.041 -9.641 1.656 1.00 30.54 H new ATOM 0 HD13 LEU A 53 0.825 -10.056 3.155 1.00 30.54 H new ATOM 0 HD21 LEU A 53 -0.955 -12.559 3.769 1.00 2.25 H new ATOM 0 HD22 LEU A 53 -0.550 -11.377 5.036 1.00 2.25 H new ATOM 0 HD23 LEU A 53 -2.253 -11.755 4.683 1.00 2.25 H new ATOM 896 N LYS A 54 -3.032 -7.329 6.465 1.00 31.22 N ATOM 897 CA LYS A 54 -3.424 -6.023 7.011 1.00 13.14 C ATOM 898 C LYS A 54 -2.164 -5.203 7.304 1.00 11.11 C ATOM 899 O LYS A 54 -1.201 -5.725 7.897 1.00 22.42 O ATOM 900 CB LYS A 54 -4.262 -6.218 8.300 1.00 51.04 C ATOM 901 CG LYS A 54 -5.504 -7.121 8.122 1.00 2.35 C ATOM 902 CD LYS A 54 -6.361 -7.222 9.402 1.00 45.21 C ATOM 903 CE LYS A 54 -7.018 -5.885 9.795 1.00 54.53 C ATOM 904 NZ LYS A 54 -7.856 -6.019 11.016 1.00 51.33 N ATOM 0 H LYS A 54 -2.483 -7.889 7.117 1.00 31.22 H new ATOM 0 HA LYS A 54 -4.036 -5.488 6.285 1.00 13.14 H new ATOM 0 HB2 LYS A 54 -3.624 -6.647 9.073 1.00 51.04 H new ATOM 0 HB3 LYS A 54 -4.586 -5.241 8.660 1.00 51.04 H new ATOM 0 HG2 LYS A 54 -6.117 -6.731 7.310 1.00 2.35 H new ATOM 0 HG3 LYS A 54 -5.182 -8.120 7.827 1.00 2.35 H new ATOM 0 HD2 LYS A 54 -7.138 -7.972 9.254 1.00 45.21 H new ATOM 0 HD3 LYS A 54 -5.736 -7.569 10.225 1.00 45.21 H new ATOM 0 HE2 LYS A 54 -6.244 -5.136 9.966 1.00 54.53 H new ATOM 0 HE3 LYS A 54 -7.633 -5.526 8.970 1.00 54.53 H new ATOM 0 HZ1 LYS A 54 -8.281 -5.099 11.248 1.00 51.33 H new ATOM 0 HZ2 LYS A 54 -8.610 -6.715 10.845 1.00 51.33 H new ATOM 0 HZ3 LYS A 54 -7.264 -6.337 11.810 1.00 51.33 H new ATOM 918 N GLY A 55 -2.166 -3.942 6.863 1.00 42.14 N ATOM 919 CA GLY A 55 -1.050 -3.025 7.053 1.00 52.43 C ATOM 920 C GLY A 55 -1.489 -1.581 7.031 1.00 51.13 C ATOM 921 O GLY A 55 -2.679 -1.301 6.902 1.00 21.41 O ATOM 0 H GLY A 55 -2.952 -3.530 6.360 1.00 42.14 H new ATOM 0 HA2 GLY A 55 -0.563 -3.240 8.004 1.00 52.43 H new ATOM 0 HA3 GLY A 55 -0.309 -3.190 6.271 1.00 52.43 H new ATOM 925 N LYS A 56 -0.528 -0.649 7.152 1.00 64.32 N ATOM 926 CA LYS A 56 -0.837 0.784 7.289 1.00 1.12 C ATOM 927 C LYS A 56 0.280 1.669 6.736 1.00 10.14 C ATOM 928 O LYS A 56 1.460 1.412 6.992 1.00 50.25 O ATOM 929 CB LYS A 56 -1.104 1.105 8.782 1.00 74.42 C ATOM 930 CG LYS A 56 -1.309 2.609 9.104 1.00 61.25 C ATOM 931 CD LYS A 56 -2.035 2.842 10.441 1.00 35.30 C ATOM 932 CE LYS A 56 -3.456 2.249 10.439 1.00 50.55 C ATOM 933 NZ LYS A 56 -4.226 2.687 11.619 1.00 31.02 N ATOM 0 H LYS A 56 0.469 -0.863 7.158 1.00 64.32 H new ATOM 0 HA LYS A 56 -1.728 1.001 6.700 1.00 1.12 H new ATOM 0 HB2 LYS A 56 -1.989 0.556 9.103 1.00 74.42 H new ATOM 0 HB3 LYS A 56 -0.267 0.733 9.373 1.00 74.42 H new ATOM 0 HG2 LYS A 56 -0.339 3.105 9.132 1.00 61.25 H new ATOM 0 HG3 LYS A 56 -1.881 3.073 8.300 1.00 61.25 H new ATOM 0 HD2 LYS A 56 -1.457 2.395 11.250 1.00 35.30 H new ATOM 0 HD3 LYS A 56 -2.089 3.912 10.642 1.00 35.30 H new ATOM 0 HE2 LYS A 56 -3.977 2.552 9.531 1.00 50.55 H new ATOM 0 HE3 LYS A 56 -3.397 1.161 10.425 1.00 50.55 H new ATOM 0 HZ1 LYS A 56 -5.178 2.270 11.587 1.00 31.02 H new ATOM 0 HZ2 LYS A 56 -3.741 2.376 12.485 1.00 31.02 H new ATOM 0 HZ3 LYS A 56 -4.302 3.724 11.618 1.00 31.02 H new ATOM 947 N ILE A 57 -0.119 2.725 5.991 1.00 62.44 N ATOM 948 CA ILE A 57 0.801 3.715 5.411 1.00 41.23 C ATOM 949 C ILE A 57 1.447 4.546 6.542 1.00 74.15 C ATOM 950 O ILE A 57 0.799 5.409 7.148 1.00 62.31 O ATOM 951 CB ILE A 57 0.065 4.663 4.393 1.00 53.22 C ATOM 952 CG1 ILE A 57 -0.648 3.824 3.283 1.00 60.13 C ATOM 953 CG2 ILE A 57 1.050 5.690 3.770 1.00 14.13 C ATOM 954 CD1 ILE A 57 -1.505 4.627 2.318 1.00 23.12 C ATOM 0 H ILE A 57 -1.099 2.911 5.777 1.00 62.44 H new ATOM 0 HA ILE A 57 1.575 3.180 4.861 1.00 41.23 H new ATOM 0 HB ILE A 57 -0.694 5.224 4.938 1.00 53.22 H new ATOM 0 HG12 ILE A 57 0.110 3.288 2.712 1.00 60.13 H new ATOM 0 HG13 ILE A 57 -1.275 3.073 3.764 1.00 60.13 H new ATOM 0 HG21 ILE A 57 0.513 6.331 3.071 1.00 14.13 H new ATOM 0 HG22 ILE A 57 1.487 6.301 4.560 1.00 14.13 H new ATOM 0 HG23 ILE A 57 1.842 5.160 3.241 1.00 14.13 H new ATOM 0 HD11 ILE A 57 -1.956 3.956 1.587 1.00 23.12 H new ATOM 0 HD12 ILE A 57 -2.290 5.142 2.871 1.00 23.12 H new ATOM 0 HD13 ILE A 57 -0.884 5.360 1.803 1.00 23.12 H new ATOM 966 N VAL A 58 2.714 4.229 6.840 1.00 62.24 N ATOM 967 CA VAL A 58 3.472 4.856 7.940 1.00 73.22 C ATOM 968 C VAL A 58 4.195 6.138 7.472 1.00 1.42 C ATOM 969 O VAL A 58 4.373 7.077 8.261 1.00 61.05 O ATOM 970 CB VAL A 58 4.491 3.835 8.579 1.00 73.45 C ATOM 971 CG1 VAL A 58 3.741 2.640 9.217 1.00 1.41 C ATOM 972 CG2 VAL A 58 5.537 3.341 7.542 1.00 4.45 C ATOM 0 H VAL A 58 3.247 3.528 6.325 1.00 62.24 H new ATOM 0 HA VAL A 58 2.755 5.145 8.708 1.00 73.22 H new ATOM 0 HB VAL A 58 5.034 4.361 9.364 1.00 73.45 H new ATOM 0 HG11 VAL A 58 4.462 1.948 9.652 1.00 1.41 H new ATOM 0 HG12 VAL A 58 3.072 3.005 9.997 1.00 1.41 H new ATOM 0 HG13 VAL A 58 3.160 2.125 8.452 1.00 1.41 H new ATOM 0 HG21 VAL A 58 6.221 2.640 8.021 1.00 4.45 H new ATOM 0 HG22 VAL A 58 5.025 2.844 6.718 1.00 4.45 H new ATOM 0 HG23 VAL A 58 6.100 4.192 7.159 1.00 4.45 H new ATOM 982 N ARG A 59 4.591 6.166 6.187 1.00 44.53 N ATOM 983 CA ARG A 59 5.303 7.307 5.575 1.00 32.22 C ATOM 984 C ARG A 59 5.242 7.180 4.040 1.00 3.33 C ATOM 985 O ARG A 59 4.973 6.097 3.528 1.00 60.42 O ATOM 986 CB ARG A 59 6.780 7.369 6.080 1.00 13.04 C ATOM 987 CG ARG A 59 7.573 8.615 5.622 1.00 44.33 C ATOM 988 CD ARG A 59 9.029 8.635 6.117 1.00 64.14 C ATOM 989 NE ARG A 59 9.741 9.847 5.676 1.00 51.23 N ATOM 990 CZ ARG A 59 11.056 10.075 5.837 1.00 15.43 C ATOM 991 NH1 ARG A 59 11.846 9.183 6.429 1.00 21.13 N ATOM 992 NH2 ARG A 59 11.571 11.212 5.411 1.00 71.44 N ATOM 0 H ARG A 59 4.426 5.395 5.539 1.00 44.53 H new ATOM 0 HA ARG A 59 4.819 8.238 5.870 1.00 32.22 H new ATOM 0 HB2 ARG A 59 6.778 7.338 7.170 1.00 13.04 H new ATOM 0 HB3 ARG A 59 7.304 6.477 5.737 1.00 13.04 H new ATOM 0 HG2 ARG A 59 7.568 8.658 4.533 1.00 44.33 H new ATOM 0 HG3 ARG A 59 7.064 9.510 5.979 1.00 44.33 H new ATOM 0 HD2 ARG A 59 9.043 8.581 7.206 1.00 64.14 H new ATOM 0 HD3 ARG A 59 9.551 7.752 5.747 1.00 64.14 H new ATOM 0 HE ARG A 59 9.193 10.571 5.212 1.00 51.23 H new ATOM 0 HH11 ARG A 59 11.457 8.305 6.772 1.00 21.13 H new ATOM 0 HH12 ARG A 59 12.841 9.377 6.540 1.00 21.13 H new ATOM 0 HH21 ARG A 59 10.973 11.907 4.965 1.00 71.44 H new ATOM 0 HH22 ARG A 59 12.567 11.396 5.528 1.00 71.44 H new ATOM 1006 N VAL A 60 5.468 8.294 3.322 1.00 60.53 N ATOM 1007 CA VAL A 60 5.500 8.329 1.842 1.00 71.20 C ATOM 1008 C VAL A 60 6.946 8.350 1.321 1.00 20.14 C ATOM 1009 O VAL A 60 7.903 8.518 2.095 1.00 71.15 O ATOM 1010 CB VAL A 60 4.707 9.571 1.285 1.00 51.15 C ATOM 1011 CG1 VAL A 60 3.263 9.551 1.807 1.00 73.01 C ATOM 1012 CG2 VAL A 60 5.408 10.916 1.632 1.00 71.30 C ATOM 0 H VAL A 60 5.635 9.204 3.752 1.00 60.53 H new ATOM 0 HA VAL A 60 5.015 7.421 1.484 1.00 71.20 H new ATOM 0 HB VAL A 60 4.691 9.496 0.198 1.00 51.15 H new ATOM 0 HG11 VAL A 60 2.723 10.414 1.416 1.00 73.01 H new ATOM 0 HG12 VAL A 60 2.770 8.636 1.479 1.00 73.01 H new ATOM 0 HG13 VAL A 60 3.269 9.590 2.896 1.00 73.01 H new ATOM 0 HG21 VAL A 60 4.826 11.744 1.228 1.00 71.30 H new ATOM 0 HG22 VAL A 60 5.483 11.019 2.715 1.00 71.30 H new ATOM 0 HG23 VAL A 60 6.407 10.928 1.197 1.00 71.30 H new ATOM 1022 N HIS A 61 7.090 8.182 -0.002 1.00 71.02 N ATOM 1023 CA HIS A 61 8.380 8.238 -0.703 1.00 5.41 C ATOM 1024 C HIS A 61 8.246 9.165 -1.930 1.00 74.22 C ATOM 1025 O HIS A 61 7.672 8.772 -2.959 1.00 23.21 O ATOM 1026 CB HIS A 61 8.812 6.797 -1.113 1.00 23.41 C ATOM 1027 CG HIS A 61 10.172 6.699 -1.763 1.00 73.25 C ATOM 1028 ND1 HIS A 61 11.323 6.452 -1.047 1.00 34.53 N ATOM 1029 CD2 HIS A 61 10.560 6.810 -3.057 1.00 75.40 C ATOM 1030 CE1 HIS A 61 12.349 6.406 -1.873 1.00 25.34 C ATOM 1031 NE2 HIS A 61 11.918 6.624 -3.098 1.00 14.00 N ATOM 0 H HIS A 61 6.302 8.001 -0.623 1.00 71.02 H new ATOM 0 HA HIS A 61 9.153 8.644 -0.051 1.00 5.41 H new ATOM 0 HB2 HIS A 61 8.804 6.165 -0.225 1.00 23.41 H new ATOM 0 HB3 HIS A 61 8.068 6.392 -1.799 1.00 23.41 H new ATOM 0 HD2 HIS A 61 9.917 7.009 -3.902 1.00 75.40 H new ATOM 0 HE1 HIS A 61 13.375 6.220 -1.591 1.00 25.34 H new ATOM 0 HE2 HIS A 61 12.497 6.650 -3.937 1.00 14.00 H new ATOM 1040 N GLY A 62 8.782 10.399 -1.795 1.00 32.25 N ATOM 1041 CA GLY A 62 8.802 11.395 -2.869 1.00 40.44 C ATOM 1042 C GLY A 62 7.418 11.865 -3.323 1.00 72.25 C ATOM 1043 O GLY A 62 6.404 11.607 -2.662 1.00 21.43 O ATOM 0 H GLY A 62 9.213 10.725 -0.930 1.00 32.25 H new ATOM 0 HA2 GLY A 62 9.374 12.260 -2.535 1.00 40.44 H new ATOM 0 HA3 GLY A 62 9.329 10.976 -3.726 1.00 40.44 H new ATOM 1047 N THR A 63 7.393 12.559 -4.477 1.00 54.25 N ATOM 1048 CA THR A 63 6.158 13.045 -5.134 1.00 12.41 C ATOM 1049 C THR A 63 5.611 12.011 -6.131 1.00 0.23 C ATOM 1050 O THR A 63 4.670 12.296 -6.866 1.00 10.03 O ATOM 1051 CB THR A 63 6.414 14.408 -5.870 1.00 22.30 C ATOM 1052 OG1 THR A 63 7.450 14.243 -6.851 1.00 24.01 O ATOM 1053 CG2 THR A 63 6.809 15.530 -4.892 1.00 65.44 C ATOM 0 H THR A 63 8.241 12.803 -4.989 1.00 54.25 H new ATOM 0 HA THR A 63 5.414 13.199 -4.352 1.00 12.41 H new ATOM 0 HB THR A 63 5.481 14.699 -6.352 1.00 22.30 H new ATOM 0 HG1 THR A 63 7.605 15.095 -7.309 1.00 24.01 H new ATOM 0 HG21 THR A 63 6.976 16.454 -5.446 1.00 65.44 H new ATOM 0 HG22 THR A 63 6.008 15.681 -4.168 1.00 65.44 H new ATOM 0 HG23 THR A 63 7.723 15.251 -4.368 1.00 65.44 H new ATOM 1061 N LYS A 64 6.195 10.794 -6.132 1.00 72.42 N ATOM 1062 CA LYS A 64 5.847 9.715 -7.078 1.00 14.22 C ATOM 1063 C LYS A 64 4.562 8.977 -6.656 1.00 64.45 C ATOM 1064 O LYS A 64 4.116 8.063 -7.357 1.00 53.44 O ATOM 1065 CB LYS A 64 7.040 8.711 -7.229 1.00 53.45 C ATOM 1066 CG LYS A 64 8.223 9.224 -8.093 1.00 24.03 C ATOM 1067 CD LYS A 64 8.989 10.421 -7.472 1.00 10.13 C ATOM 1068 CE LYS A 64 9.992 11.055 -8.454 1.00 2.51 C ATOM 1069 NZ LYS A 64 9.325 11.588 -9.676 1.00 4.31 N ATOM 0 H LYS A 64 6.926 10.532 -5.471 1.00 72.42 H new ATOM 0 HA LYS A 64 5.654 10.176 -8.047 1.00 14.22 H new ATOM 0 HB2 LYS A 64 7.415 8.464 -6.236 1.00 53.45 H new ATOM 0 HB3 LYS A 64 6.664 7.786 -7.667 1.00 53.45 H new ATOM 0 HG2 LYS A 64 8.922 8.404 -8.255 1.00 24.03 H new ATOM 0 HG3 LYS A 64 7.843 9.518 -9.072 1.00 24.03 H new ATOM 0 HD2 LYS A 64 8.274 11.178 -7.150 1.00 10.13 H new ATOM 0 HD3 LYS A 64 9.521 10.085 -6.582 1.00 10.13 H new ATOM 0 HE2 LYS A 64 10.527 11.862 -7.953 1.00 2.51 H new ATOM 0 HE3 LYS A 64 10.734 10.311 -8.743 1.00 2.51 H new ATOM 0 HZ1 LYS A 64 9.973 12.233 -10.172 1.00 4.31 H new ATOM 0 HZ2 LYS A 64 9.072 10.800 -10.305 1.00 4.31 H new ATOM 0 HZ3 LYS A 64 8.464 12.104 -9.404 1.00 4.31 H new ATOM 1083 N GLY A 65 3.988 9.362 -5.499 1.00 32.22 N ATOM 1084 CA GLY A 65 2.768 8.749 -4.984 1.00 52.53 C ATOM 1085 C GLY A 65 3.000 7.414 -4.297 1.00 12.01 C ATOM 1086 O GLY A 65 2.065 6.834 -3.741 1.00 32.24 O ATOM 0 H GLY A 65 4.361 10.103 -4.905 1.00 32.22 H new ATOM 0 HA2 GLY A 65 2.297 9.434 -4.279 1.00 52.53 H new ATOM 0 HA3 GLY A 65 2.067 8.608 -5.807 1.00 52.53 H new ATOM 1090 N ALA A 66 4.256 6.926 -4.340 1.00 73.35 N ATOM 1091 CA ALA A 66 4.648 5.660 -3.729 1.00 62.44 C ATOM 1092 C ALA A 66 4.589 5.785 -2.200 1.00 11.31 C ATOM 1093 O ALA A 66 5.375 6.522 -1.600 1.00 40.22 O ATOM 1094 CB ALA A 66 6.058 5.256 -4.196 1.00 62.44 C ATOM 0 H ALA A 66 5.025 7.409 -4.805 1.00 73.35 H new ATOM 0 HA ALA A 66 3.955 4.879 -4.041 1.00 62.44 H new ATOM 0 HB1 ALA A 66 6.338 4.310 -3.733 1.00 62.44 H new ATOM 0 HB2 ALA A 66 6.064 5.145 -5.280 1.00 62.44 H new ATOM 0 HB3 ALA A 66 6.772 6.027 -3.906 1.00 62.44 H new ATOM 1100 N VAL A 67 3.643 5.065 -1.594 1.00 33.10 N ATOM 1101 CA VAL A 67 3.426 5.050 -0.147 1.00 61.24 C ATOM 1102 C VAL A 67 4.070 3.785 0.447 1.00 75.11 C ATOM 1103 O VAL A 67 4.089 2.717 -0.176 1.00 72.33 O ATOM 1104 CB VAL A 67 1.888 5.090 0.214 1.00 12.25 C ATOM 1105 CG1 VAL A 67 1.233 6.403 -0.270 1.00 62.44 C ATOM 1106 CG2 VAL A 67 1.122 3.857 -0.336 1.00 23.33 C ATOM 0 H VAL A 67 2.995 4.465 -2.105 1.00 33.10 H new ATOM 0 HA VAL A 67 3.887 5.942 0.278 1.00 61.24 H new ATOM 0 HB VAL A 67 1.820 5.053 1.301 1.00 12.25 H new ATOM 0 HG11 VAL A 67 0.175 6.400 -0.007 1.00 62.44 H new ATOM 0 HG12 VAL A 67 1.723 7.252 0.207 1.00 62.44 H new ATOM 0 HG13 VAL A 67 1.338 6.485 -1.352 1.00 62.44 H new ATOM 0 HG21 VAL A 67 0.070 3.931 -0.062 1.00 23.33 H new ATOM 0 HG22 VAL A 67 1.213 3.827 -1.422 1.00 23.33 H new ATOM 0 HG23 VAL A 67 1.545 2.947 0.089 1.00 23.33 H new ATOM 1116 N ARG A 68 4.622 3.944 1.647 1.00 23.43 N ATOM 1117 CA ARG A 68 5.274 2.864 2.382 1.00 24.12 C ATOM 1118 C ARG A 68 4.307 2.363 3.461 1.00 62.22 C ATOM 1119 O ARG A 68 4.113 3.025 4.494 1.00 14.42 O ATOM 1120 CB ARG A 68 6.597 3.386 3.006 1.00 34.45 C ATOM 1121 CG ARG A 68 7.442 2.306 3.696 1.00 41.12 C ATOM 1122 CD ARG A 68 8.716 2.857 4.350 1.00 22.24 C ATOM 1123 NE ARG A 68 8.407 3.724 5.500 1.00 63.33 N ATOM 1124 CZ ARG A 68 9.307 4.438 6.187 1.00 45.15 C ATOM 1125 NH1 ARG A 68 10.596 4.426 5.857 1.00 34.35 N ATOM 1126 NH2 ARG A 68 8.913 5.133 7.237 1.00 51.25 N ATOM 0 H ARG A 68 4.629 4.836 2.142 1.00 23.43 H new ATOM 0 HA ARG A 68 5.523 2.037 1.717 1.00 24.12 H new ATOM 0 HB2 ARG A 68 7.195 3.852 2.223 1.00 34.45 H new ATOM 0 HB3 ARG A 68 6.360 4.164 3.732 1.00 34.45 H new ATOM 0 HG2 ARG A 68 6.837 1.811 4.456 1.00 41.12 H new ATOM 0 HG3 ARG A 68 7.717 1.547 2.964 1.00 41.12 H new ATOM 0 HD2 ARG A 68 9.344 2.029 4.677 1.00 22.24 H new ATOM 0 HD3 ARG A 68 9.289 3.420 3.613 1.00 22.24 H new ATOM 0 HE ARG A 68 7.433 3.785 5.795 1.00 63.33 H new ATOM 0 HH11 ARG A 68 10.915 3.865 5.067 1.00 34.35 H new ATOM 0 HH12 ARG A 68 11.265 4.978 6.394 1.00 34.35 H new ATOM 0 HH21 ARG A 68 7.932 5.122 7.517 1.00 51.25 H new ATOM 0 HH22 ARG A 68 9.589 5.681 7.769 1.00 51.25 H new ATOM 1140 N ALA A 69 3.684 1.211 3.198 1.00 42.55 N ATOM 1141 CA ALA A 69 2.705 0.595 4.099 1.00 74.02 C ATOM 1142 C ALA A 69 3.321 -0.631 4.780 1.00 53.32 C ATOM 1143 O ALA A 69 3.740 -1.572 4.107 1.00 33.24 O ATOM 1144 CB ALA A 69 1.427 0.226 3.322 1.00 42.14 C ATOM 0 H ALA A 69 3.846 0.674 2.346 1.00 42.55 H new ATOM 0 HA ALA A 69 2.428 1.308 4.875 1.00 74.02 H new ATOM 0 HB1 ALA A 69 0.707 -0.231 4.001 1.00 42.14 H new ATOM 0 HB2 ALA A 69 0.994 1.126 2.886 1.00 42.14 H new ATOM 0 HB3 ALA A 69 1.675 -0.479 2.528 1.00 42.14 H new ATOM 1150 N ARG A 70 3.382 -0.609 6.122 1.00 73.34 N ATOM 1151 CA ARG A 70 3.926 -1.719 6.916 1.00 21.41 C ATOM 1152 C ARG A 70 2.814 -2.715 7.238 1.00 64.44 C ATOM 1153 O ARG A 70 1.924 -2.420 8.041 1.00 31.54 O ATOM 1154 CB ARG A 70 4.584 -1.213 8.231 1.00 64.42 C ATOM 1155 CG ARG A 70 5.935 -0.498 8.046 1.00 11.32 C ATOM 1156 CD ARG A 70 6.550 -0.061 9.389 1.00 15.42 C ATOM 1157 NE ARG A 70 7.941 0.399 9.233 1.00 4.42 N ATOM 1158 CZ ARG A 70 8.548 1.330 9.983 1.00 2.54 C ATOM 1159 NH1 ARG A 70 7.903 1.951 10.966 1.00 54.23 N ATOM 1160 NH2 ARG A 70 9.819 1.598 9.764 1.00 53.30 N ATOM 0 H ARG A 70 3.056 0.177 6.684 1.00 73.34 H new ATOM 0 HA ARG A 70 4.699 -2.210 6.325 1.00 21.41 H new ATOM 0 HB2 ARG A 70 3.893 -0.531 8.727 1.00 64.42 H new ATOM 0 HB3 ARG A 70 4.727 -2.063 8.899 1.00 64.42 H new ATOM 0 HG2 ARG A 70 6.628 -1.162 7.530 1.00 11.32 H new ATOM 0 HG3 ARG A 70 5.798 0.376 7.410 1.00 11.32 H new ATOM 0 HD2 ARG A 70 5.949 0.740 9.820 1.00 15.42 H new ATOM 0 HD3 ARG A 70 6.520 -0.895 10.090 1.00 15.42 H new ATOM 0 HE ARG A 70 8.491 -0.029 8.488 1.00 4.42 H new ATOM 0 HH11 ARG A 70 6.928 1.722 11.161 1.00 54.23 H new ATOM 0 HH12 ARG A 70 8.383 2.656 11.525 1.00 54.23 H new ATOM 0 HH21 ARG A 70 10.327 1.100 9.033 1.00 53.30 H new ATOM 0 HH22 ARG A 70 10.296 2.304 10.326 1.00 53.30 H new ATOM 1174 N PHE A 71 2.850 -3.863 6.558 1.00 71.10 N ATOM 1175 CA PHE A 71 2.005 -5.015 6.864 1.00 41.02 C ATOM 1176 C PHE A 71 2.719 -5.883 7.909 1.00 72.10 C ATOM 1177 O PHE A 71 3.827 -6.362 7.665 1.00 51.13 O ATOM 1178 CB PHE A 71 1.713 -5.827 5.563 1.00 62.10 C ATOM 1179 CG PHE A 71 0.741 -5.152 4.589 1.00 64.52 C ATOM 1180 CD1 PHE A 71 1.011 -3.891 4.048 1.00 3.45 C ATOM 1181 CD2 PHE A 71 -0.451 -5.773 4.220 1.00 71.45 C ATOM 1182 CE1 PHE A 71 0.124 -3.289 3.171 1.00 72.53 C ATOM 1183 CE2 PHE A 71 -1.333 -5.173 3.346 1.00 71.12 C ATOM 1184 CZ PHE A 71 -1.049 -3.930 2.825 1.00 74.14 C ATOM 0 H PHE A 71 3.477 -4.019 5.768 1.00 71.10 H new ATOM 0 HA PHE A 71 1.049 -4.683 7.268 1.00 41.02 H new ATOM 0 HB2 PHE A 71 2.655 -6.009 5.046 1.00 62.10 H new ATOM 0 HB3 PHE A 71 1.309 -6.800 5.842 1.00 62.10 H new ATOM 0 HD1 PHE A 71 1.923 -3.380 4.318 1.00 3.45 H new ATOM 0 HD2 PHE A 71 -0.689 -6.745 4.627 1.00 71.45 H new ATOM 0 HE1 PHE A 71 0.350 -2.317 2.757 1.00 72.53 H new ATOM 0 HE2 PHE A 71 -2.247 -5.678 3.070 1.00 71.12 H new ATOM 0 HZ PHE A 71 -1.743 -3.457 2.146 1.00 74.14 H new ATOM 1194 N GLU A 72 2.072 -6.087 9.067 1.00 33.05 N ATOM 1195 CA GLU A 72 2.579 -6.999 10.117 1.00 35.52 C ATOM 1196 C GLU A 72 2.387 -8.462 9.677 1.00 2.15 C ATOM 1197 O GLU A 72 3.050 -9.370 10.179 1.00 61.32 O ATOM 1198 CB GLU A 72 1.876 -6.726 11.473 1.00 42.31 C ATOM 1199 CG GLU A 72 0.338 -6.847 11.444 1.00 4.13 C ATOM 1200 CD GLU A 72 -0.300 -6.602 12.819 1.00 13.14 C ATOM 1201 OE1 GLU A 72 -0.422 -7.562 13.608 1.00 70.22 O ATOM 1202 OE2 GLU A 72 -0.667 -5.445 13.130 1.00 65.14 O ATOM 0 H GLU A 72 1.191 -5.632 9.305 1.00 33.05 H new ATOM 0 HA GLU A 72 3.644 -6.816 10.257 1.00 35.52 H new ATOM 0 HB2 GLU A 72 2.267 -7.423 12.215 1.00 42.31 H new ATOM 0 HB3 GLU A 72 2.141 -5.723 11.807 1.00 42.31 H new ATOM 0 HG2 GLU A 72 -0.066 -6.131 10.728 1.00 4.13 H new ATOM 0 HG3 GLU A 72 0.062 -7.841 11.092 1.00 4.13 H new ATOM 1209 N LYS A 73 1.463 -8.664 8.722 1.00 14.51 N ATOM 1210 CA LYS A 73 1.215 -9.960 8.098 1.00 35.34 C ATOM 1211 C LYS A 73 2.332 -10.253 7.077 1.00 20.53 C ATOM 1212 O LYS A 73 3.268 -10.989 7.394 1.00 73.43 O ATOM 1213 CB LYS A 73 -0.187 -9.955 7.449 1.00 4.33 C ATOM 1214 CG LYS A 73 -1.339 -9.603 8.420 1.00 54.32 C ATOM 1215 CD LYS A 73 -1.519 -10.631 9.559 1.00 61.23 C ATOM 1216 CE LYS A 73 -1.902 -12.027 9.042 1.00 24.30 C ATOM 1217 NZ LYS A 73 -2.184 -12.965 10.150 1.00 73.40 N ATOM 0 H LYS A 73 0.865 -7.920 8.363 1.00 14.51 H new ATOM 0 HA LYS A 73 1.230 -10.756 8.842 1.00 35.34 H new ATOM 0 HB2 LYS A 73 -0.191 -9.240 6.626 1.00 4.33 H new ATOM 0 HB3 LYS A 73 -0.378 -10.938 7.019 1.00 4.33 H new ATOM 0 HG2 LYS A 73 -1.151 -8.621 8.854 1.00 54.32 H new ATOM 0 HG3 LYS A 73 -2.269 -9.530 7.857 1.00 54.32 H new ATOM 0 HD2 LYS A 73 -0.593 -10.701 10.130 1.00 61.23 H new ATOM 0 HD3 LYS A 73 -2.290 -10.277 10.244 1.00 61.23 H new ATOM 0 HE2 LYS A 73 -2.779 -11.949 8.400 1.00 24.30 H new ATOM 0 HE3 LYS A 73 -1.092 -12.422 8.429 1.00 24.30 H new ATOM 0 HZ1 LYS A 73 -2.438 -13.895 9.761 1.00 73.40 H new ATOM 0 HZ2 LYS A 73 -1.339 -13.059 10.749 1.00 73.40 H new ATOM 0 HZ3 LYS A 73 -2.973 -12.601 10.721 1.00 73.40 H new ATOM 1231 N GLY A 74 2.250 -9.611 5.881 1.00 15.13 N ATOM 1232 CA GLY A 74 3.284 -9.735 4.837 1.00 53.11 C ATOM 1233 C GLY A 74 3.624 -11.179 4.451 1.00 3.15 C ATOM 1234 O GLY A 74 4.804 -11.539 4.346 1.00 44.54 O ATOM 0 H GLY A 74 1.473 -9.002 5.623 1.00 15.13 H new ATOM 0 HA2 GLY A 74 2.950 -9.203 3.946 1.00 53.11 H new ATOM 0 HA3 GLY A 74 4.192 -9.240 5.182 1.00 53.11 H new ATOM 1238 N LEU A 75 2.576 -12.005 4.266 1.00 62.44 N ATOM 1239 CA LEU A 75 2.709 -13.435 3.897 1.00 3.53 C ATOM 1240 C LEU A 75 3.143 -13.594 2.417 1.00 64.21 C ATOM 1241 O LEU A 75 2.919 -12.671 1.619 1.00 74.42 O ATOM 1242 CB LEU A 75 1.363 -14.176 4.156 1.00 73.13 C ATOM 1243 CG LEU A 75 0.920 -14.295 5.651 1.00 60.11 C ATOM 1244 CD1 LEU A 75 -0.420 -15.042 5.764 1.00 31.12 C ATOM 1245 CD2 LEU A 75 2.015 -14.967 6.511 1.00 51.13 C ATOM 0 H LEU A 75 1.608 -11.701 4.368 1.00 62.44 H new ATOM 0 HA LEU A 75 3.486 -13.880 4.519 1.00 3.53 H new ATOM 0 HB2 LEU A 75 0.576 -13.661 3.605 1.00 73.13 H new ATOM 0 HB3 LEU A 75 1.439 -15.180 3.740 1.00 73.13 H new ATOM 0 HG LEU A 75 0.776 -13.287 6.041 1.00 60.11 H new ATOM 0 HD11 LEU A 75 -0.709 -15.113 6.812 1.00 31.12 H new ATOM 0 HD12 LEU A 75 -1.187 -14.499 5.212 1.00 31.12 H new ATOM 0 HD13 LEU A 75 -0.314 -16.044 5.348 1.00 31.12 H new ATOM 0 HD21 LEU A 75 1.676 -15.034 7.545 1.00 51.13 H new ATOM 0 HD22 LEU A 75 2.215 -15.968 6.129 1.00 51.13 H new ATOM 0 HD23 LEU A 75 2.928 -14.373 6.467 1.00 51.13 H new ATOM 1257 N PRO A 76 3.771 -14.769 2.028 1.00 63.01 N ATOM 1258 CA PRO A 76 4.287 -15.005 0.654 1.00 64.35 C ATOM 1259 C PRO A 76 3.189 -14.931 -0.432 1.00 75.44 C ATOM 1260 O PRO A 76 2.173 -15.636 -0.363 1.00 10.21 O ATOM 1261 CB PRO A 76 4.908 -16.430 0.724 1.00 3.40 C ATOM 1262 CG PRO A 76 5.176 -16.650 2.181 1.00 3.10 C ATOM 1263 CD PRO A 76 4.041 -15.956 2.896 1.00 4.34 C ATOM 0 HA PRO A 76 5.002 -14.235 0.364 1.00 64.35 H new ATOM 0 HB2 PRO A 76 4.224 -17.181 0.328 1.00 3.40 H new ATOM 0 HB3 PRO A 76 5.825 -16.493 0.138 1.00 3.40 H new ATOM 0 HG2 PRO A 76 5.203 -17.713 2.421 1.00 3.10 H new ATOM 0 HG3 PRO A 76 6.140 -16.233 2.472 1.00 3.10 H new ATOM 0 HD2 PRO A 76 3.166 -16.600 2.983 1.00 4.34 H new ATOM 0 HD3 PRO A 76 4.322 -15.661 3.907 1.00 4.34 H new ATOM 1271 N GLY A 77 3.422 -14.053 -1.410 1.00 35.43 N ATOM 1272 CA GLY A 77 2.522 -13.852 -2.528 1.00 74.35 C ATOM 1273 C GLY A 77 3.126 -12.861 -3.500 1.00 40.25 C ATOM 1274 O GLY A 77 2.904 -11.655 -3.365 1.00 74.33 O ATOM 0 H GLY A 77 4.251 -13.460 -1.441 1.00 35.43 H new ATOM 0 HA2 GLY A 77 2.334 -14.801 -3.031 1.00 74.35 H new ATOM 0 HA3 GLY A 77 1.560 -13.485 -2.171 1.00 74.35 H new ATOM 1278 N GLN A 78 3.936 -13.375 -4.447 1.00 23.25 N ATOM 1279 CA GLN A 78 4.647 -12.565 -5.457 1.00 3.32 C ATOM 1280 C GLN A 78 3.647 -12.064 -6.528 1.00 21.54 C ATOM 1281 O GLN A 78 3.619 -12.541 -7.670 1.00 31.24 O ATOM 1282 CB GLN A 78 5.791 -13.420 -6.086 1.00 65.21 C ATOM 1283 CG GLN A 78 6.808 -12.634 -6.941 1.00 32.31 C ATOM 1284 CD GLN A 78 7.680 -11.693 -6.106 1.00 63.24 C ATOM 1285 OE1 GLN A 78 7.334 -10.531 -5.879 1.00 43.44 O ATOM 1286 NE2 GLN A 78 8.822 -12.187 -5.641 1.00 12.13 N ATOM 0 H GLN A 78 4.117 -14.375 -4.533 1.00 23.25 H new ATOM 0 HA GLN A 78 5.095 -11.687 -4.990 1.00 3.32 H new ATOM 0 HB2 GLN A 78 6.329 -13.924 -5.283 1.00 65.21 H new ATOM 0 HB3 GLN A 78 5.343 -14.196 -6.706 1.00 65.21 H new ATOM 0 HG2 GLN A 78 7.447 -13.337 -7.475 1.00 32.31 H new ATOM 0 HG3 GLN A 78 6.273 -12.055 -7.693 1.00 32.31 H new ATOM 0 HE21 GLN A 78 9.081 -13.152 -5.846 1.00 12.13 H new ATOM 0 HE22 GLN A 78 9.440 -11.601 -5.079 1.00 12.13 H new ATOM 1295 N ALA A 79 2.801 -11.117 -6.118 1.00 43.41 N ATOM 1296 CA ALA A 79 1.627 -10.661 -6.882 1.00 31.34 C ATOM 1297 C ALA A 79 1.768 -9.182 -7.260 1.00 75.02 C ATOM 1298 O ALA A 79 0.770 -8.478 -7.387 1.00 50.31 O ATOM 1299 CB ALA A 79 0.346 -10.937 -6.070 1.00 43.04 C ATOM 0 H ALA A 79 2.911 -10.632 -5.227 1.00 43.41 H new ATOM 0 HA ALA A 79 1.559 -11.218 -7.816 1.00 31.34 H new ATOM 0 HB1 ALA A 79 -0.523 -10.600 -6.635 1.00 43.04 H new ATOM 0 HB2 ALA A 79 0.261 -12.006 -5.877 1.00 43.04 H new ATOM 0 HB3 ALA A 79 0.393 -10.400 -5.122 1.00 43.04 H new ATOM 1305 N LEU A 80 3.024 -8.720 -7.420 1.00 22.23 N ATOM 1306 CA LEU A 80 3.339 -7.324 -7.797 1.00 20.23 C ATOM 1307 C LEU A 80 2.553 -6.918 -9.075 1.00 31.35 C ATOM 1308 O LEU A 80 2.721 -7.532 -10.133 1.00 3.34 O ATOM 1309 CB LEU A 80 4.864 -7.155 -8.034 1.00 51.42 C ATOM 1310 CG LEU A 80 5.817 -7.682 -6.911 1.00 11.34 C ATOM 1311 CD1 LEU A 80 7.292 -7.381 -7.246 1.00 64.25 C ATOM 1312 CD2 LEU A 80 5.434 -7.124 -5.525 1.00 23.35 C ATOM 0 H LEU A 80 3.851 -9.303 -7.292 1.00 22.23 H new ATOM 0 HA LEU A 80 3.039 -6.671 -6.977 1.00 20.23 H new ATOM 0 HB2 LEU A 80 5.121 -7.663 -8.963 1.00 51.42 H new ATOM 0 HB3 LEU A 80 5.069 -6.095 -8.183 1.00 51.42 H new ATOM 0 HG LEU A 80 5.697 -8.764 -6.867 1.00 11.34 H new ATOM 0 HD11 LEU A 80 7.931 -7.759 -6.448 1.00 64.25 H new ATOM 0 HD12 LEU A 80 7.558 -7.867 -8.185 1.00 64.25 H new ATOM 0 HD13 LEU A 80 7.431 -6.304 -7.343 1.00 64.25 H new ATOM 0 HD21 LEU A 80 6.120 -7.514 -4.773 1.00 23.35 H new ATOM 0 HD22 LEU A 80 5.494 -6.036 -5.541 1.00 23.35 H new ATOM 0 HD23 LEU A 80 4.416 -7.427 -5.279 1.00 23.35 H new ATOM 1324 N GLY A 81 1.689 -5.898 -8.946 1.00 0.41 N ATOM 1325 CA GLY A 81 0.774 -5.486 -10.021 1.00 63.13 C ATOM 1326 C GLY A 81 -0.688 -5.655 -9.623 1.00 22.15 C ATOM 1327 O GLY A 81 -1.593 -5.180 -10.328 1.00 1.43 O ATOM 0 H GLY A 81 1.606 -5.338 -8.097 1.00 0.41 H new ATOM 0 HA2 GLY A 81 0.962 -4.443 -10.277 1.00 63.13 H new ATOM 0 HA3 GLY A 81 0.977 -6.075 -10.915 1.00 63.13 H new ATOM 1331 N ASP A 82 -0.914 -6.341 -8.482 1.00 31.32 N ATOM 1332 CA ASP A 82 -2.264 -6.609 -7.933 1.00 70.44 C ATOM 1333 C ASP A 82 -2.808 -5.339 -7.250 1.00 55.33 C ATOM 1334 O ASP A 82 -2.059 -4.379 -7.036 1.00 12.20 O ATOM 1335 CB ASP A 82 -2.198 -7.808 -6.938 1.00 41.04 C ATOM 1336 CG ASP A 82 -3.514 -8.584 -6.846 1.00 32.23 C ATOM 1337 OD1 ASP A 82 -4.393 -8.210 -6.052 1.00 62.41 O ATOM 1338 OD2 ASP A 82 -3.688 -9.564 -7.599 1.00 20.34 O ATOM 0 H ASP A 82 -0.162 -6.727 -7.912 1.00 31.32 H new ATOM 0 HA ASP A 82 -2.946 -6.877 -8.740 1.00 70.44 H new ATOM 0 HB2 ASP A 82 -1.404 -8.487 -7.248 1.00 41.04 H new ATOM 0 HB3 ASP A 82 -1.932 -7.437 -5.948 1.00 41.04 H new ATOM 1343 N TYR A 83 -4.100 -5.343 -6.890 1.00 72.41 N ATOM 1344 CA TYR A 83 -4.794 -4.137 -6.409 1.00 31.43 C ATOM 1345 C TYR A 83 -5.172 -4.246 -4.930 1.00 23.32 C ATOM 1346 O TYR A 83 -5.809 -5.221 -4.508 1.00 30.51 O ATOM 1347 CB TYR A 83 -6.037 -3.874 -7.283 1.00 33.43 C ATOM 1348 CG TYR A 83 -5.675 -3.706 -8.764 1.00 75.43 C ATOM 1349 CD1 TYR A 83 -4.913 -2.609 -9.194 1.00 44.10 C ATOM 1350 CD2 TYR A 83 -6.050 -4.648 -9.726 1.00 5.00 C ATOM 1351 CE1 TYR A 83 -4.560 -2.457 -10.518 1.00 3.53 C ATOM 1352 CE2 TYR A 83 -5.690 -4.500 -11.053 1.00 43.13 C ATOM 1353 CZ TYR A 83 -4.946 -3.404 -11.444 1.00 63.32 C ATOM 1354 OH TYR A 83 -4.582 -3.263 -12.766 1.00 50.44 O ATOM 0 H TYR A 83 -4.690 -6.174 -6.923 1.00 72.41 H new ATOM 0 HA TYR A 83 -4.111 -3.292 -6.495 1.00 31.43 H new ATOM 0 HB2 TYR A 83 -6.739 -4.701 -7.173 1.00 33.43 H new ATOM 0 HB3 TYR A 83 -6.545 -2.976 -6.930 1.00 33.43 H new ATOM 0 HD1 TYR A 83 -4.597 -1.869 -8.474 1.00 44.10 H new ATOM 0 HD2 TYR A 83 -6.632 -5.508 -9.427 1.00 5.00 H new ATOM 0 HE1 TYR A 83 -3.983 -1.599 -10.829 1.00 3.53 H new ATOM 0 HE2 TYR A 83 -5.990 -5.239 -11.781 1.00 43.13 H new ATOM 0 HH TYR A 83 -4.934 -4.017 -13.284 1.00 50.44 H new ATOM 1364 N VAL A 84 -4.767 -3.221 -4.159 1.00 64.41 N ATOM 1365 CA VAL A 84 -5.044 -3.116 -2.719 1.00 2.33 C ATOM 1366 C VAL A 84 -6.228 -2.158 -2.483 1.00 41.42 C ATOM 1367 O VAL A 84 -6.593 -1.363 -3.369 1.00 32.22 O ATOM 1368 CB VAL A 84 -3.777 -2.599 -1.930 1.00 30.51 C ATOM 1369 CG1 VAL A 84 -2.532 -3.465 -2.217 1.00 72.00 C ATOM 1370 CG2 VAL A 84 -3.477 -1.113 -2.227 1.00 31.34 C ATOM 0 H VAL A 84 -4.232 -2.434 -4.525 1.00 64.41 H new ATOM 0 HA VAL A 84 -5.296 -4.110 -2.349 1.00 2.33 H new ATOM 0 HB VAL A 84 -4.017 -2.688 -0.870 1.00 30.51 H new ATOM 0 HG11 VAL A 84 -1.682 -3.077 -1.656 1.00 72.00 H new ATOM 0 HG12 VAL A 84 -2.727 -4.494 -1.915 1.00 72.00 H new ATOM 0 HG13 VAL A 84 -2.307 -3.436 -3.283 1.00 72.00 H new ATOM 0 HG21 VAL A 84 -2.598 -0.800 -1.664 1.00 31.34 H new ATOM 0 HG22 VAL A 84 -3.289 -0.986 -3.293 1.00 31.34 H new ATOM 0 HG23 VAL A 84 -4.332 -0.504 -1.934 1.00 31.34 H new ATOM 1380 N GLU A 85 -6.814 -2.243 -1.282 1.00 23.04 N ATOM 1381 CA GLU A 85 -7.851 -1.315 -0.808 1.00 74.14 C ATOM 1382 C GLU A 85 -7.272 -0.474 0.334 1.00 33.14 C ATOM 1383 O GLU A 85 -7.034 -0.981 1.433 1.00 42.04 O ATOM 1384 CB GLU A 85 -9.090 -2.113 -0.323 1.00 22.11 C ATOM 1385 CG GLU A 85 -9.772 -2.939 -1.434 1.00 15.32 C ATOM 1386 CD GLU A 85 -10.894 -3.852 -0.917 1.00 5.02 C ATOM 1387 OE1 GLU A 85 -11.888 -3.335 -0.362 1.00 14.54 O ATOM 1388 OE2 GLU A 85 -10.795 -5.086 -1.068 1.00 24.13 O ATOM 0 H GLU A 85 -6.579 -2.967 -0.603 1.00 23.04 H new ATOM 0 HA GLU A 85 -8.165 -0.658 -1.619 1.00 74.14 H new ATOM 0 HB2 GLU A 85 -8.787 -2.783 0.481 1.00 22.11 H new ATOM 0 HB3 GLU A 85 -9.816 -1.418 0.098 1.00 22.11 H new ATOM 0 HG2 GLU A 85 -10.182 -2.260 -2.181 1.00 15.32 H new ATOM 0 HG3 GLU A 85 -9.021 -3.548 -1.936 1.00 15.32 H new ATOM 1395 N ILE A 86 -7.038 0.813 0.059 1.00 11.51 N ATOM 1396 CA ILE A 86 -6.545 1.772 1.050 1.00 35.53 C ATOM 1397 C ILE A 86 -7.756 2.451 1.699 1.00 4.21 C ATOM 1398 O ILE A 86 -8.300 3.432 1.178 1.00 52.34 O ATOM 1399 CB ILE A 86 -5.591 2.827 0.377 1.00 72.05 C ATOM 1400 CG1 ILE A 86 -4.413 2.086 -0.341 1.00 21.31 C ATOM 1401 CG2 ILE A 86 -5.070 3.864 1.409 1.00 24.13 C ATOM 1402 CD1 ILE A 86 -3.454 2.977 -1.103 1.00 32.41 C ATOM 0 H ILE A 86 -7.187 1.220 -0.864 1.00 11.51 H new ATOM 0 HA ILE A 86 -5.961 1.258 1.813 1.00 35.53 H new ATOM 0 HB ILE A 86 -6.157 3.386 -0.368 1.00 72.05 H new ATOM 0 HG12 ILE A 86 -3.848 1.528 0.406 1.00 21.31 H new ATOM 0 HG13 ILE A 86 -4.833 1.357 -1.034 1.00 21.31 H new ATOM 0 HG21 ILE A 86 -4.414 4.577 0.909 1.00 24.13 H new ATOM 0 HG22 ILE A 86 -5.914 4.395 1.850 1.00 24.13 H new ATOM 0 HG23 ILE A 86 -4.515 3.349 2.194 1.00 24.13 H new ATOM 0 HD11 ILE A 86 -2.677 2.366 -1.562 1.00 32.41 H new ATOM 0 HD12 ILE A 86 -3.997 3.517 -1.879 1.00 32.41 H new ATOM 0 HD13 ILE A 86 -2.997 3.690 -0.417 1.00 32.41 H new ATOM 1414 N VAL A 87 -8.194 1.875 2.820 1.00 64.44 N ATOM 1415 CA VAL A 87 -9.363 2.346 3.561 1.00 21.22 C ATOM 1416 C VAL A 87 -8.946 3.509 4.469 1.00 62.35 C ATOM 1417 O VAL A 87 -7.902 3.443 5.133 1.00 3.23 O ATOM 1418 CB VAL A 87 -10.001 1.184 4.404 1.00 5.43 C ATOM 1419 CG1 VAL A 87 -11.268 1.654 5.172 1.00 33.15 C ATOM 1420 CG2 VAL A 87 -10.310 -0.037 3.501 1.00 60.53 C ATOM 0 H VAL A 87 -7.743 1.063 3.241 1.00 64.44 H new ATOM 0 HA VAL A 87 -10.119 2.690 2.855 1.00 21.22 H new ATOM 0 HB VAL A 87 -9.271 0.879 5.154 1.00 5.43 H new ATOM 0 HG11 VAL A 87 -11.678 0.820 5.742 1.00 33.15 H new ATOM 0 HG12 VAL A 87 -11.002 2.463 5.852 1.00 33.15 H new ATOM 0 HG13 VAL A 87 -12.014 2.009 4.461 1.00 33.15 H new ATOM 0 HG21 VAL A 87 -10.751 -0.832 4.102 1.00 60.53 H new ATOM 0 HG22 VAL A 87 -11.009 0.257 2.718 1.00 60.53 H new ATOM 0 HG23 VAL A 87 -9.387 -0.396 3.046 1.00 60.53 H new ATOM 1430 N LEU A 88 -9.755 4.578 4.454 1.00 2.53 N ATOM 1431 CA LEU A 88 -9.543 5.772 5.279 1.00 42.14 C ATOM 1432 C LEU A 88 -9.574 5.410 6.773 1.00 40.23 C ATOM 1433 O LEU A 88 -10.524 4.771 7.251 1.00 11.21 O ATOM 1434 CB LEU A 88 -10.598 6.862 4.919 1.00 62.55 C ATOM 1435 CG LEU A 88 -10.206 7.821 3.746 1.00 4.21 C ATOM 1436 CD1 LEU A 88 -9.034 8.720 4.164 1.00 42.20 C ATOM 1437 CD2 LEU A 88 -9.880 7.052 2.439 1.00 61.41 C ATOM 0 H LEU A 88 -10.583 4.637 3.862 1.00 2.53 H new ATOM 0 HA LEU A 88 -8.555 6.183 5.070 1.00 42.14 H new ATOM 0 HB2 LEU A 88 -11.534 6.366 4.661 1.00 62.55 H new ATOM 0 HB3 LEU A 88 -10.790 7.463 5.807 1.00 62.55 H new ATOM 0 HG LEU A 88 -11.072 8.447 3.531 1.00 4.21 H new ATOM 0 HD11 LEU A 88 -8.771 9.382 3.339 1.00 42.20 H new ATOM 0 HD12 LEU A 88 -9.323 9.316 5.030 1.00 42.20 H new ATOM 0 HD13 LEU A 88 -8.174 8.101 4.420 1.00 42.20 H new ATOM 0 HD21 LEU A 88 -9.614 7.762 1.656 1.00 61.41 H new ATOM 0 HD22 LEU A 88 -9.044 6.375 2.614 1.00 61.41 H new ATOM 0 HD23 LEU A 88 -10.753 6.478 2.127 1.00 61.41 H new