USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 828 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 120 GLN : amide:sc= 1.01 K(o=1,f=-2!) USER MOD Set 1.2: A 123 GLN : amide:sc= 0 K(o=1,f=0.24) USER MOD Set 2.1: A 86 SER OG : rot 180:sc= 0.0358 USER MOD Set 2.2: A 108 ASN : amide:sc= 1.16 X(o=1.2,f=0.89) USER MOD Set 3.1: A 106 SER OG : rot -107:sc= 1.8 USER MOD Set 3.2: A 118 ASN : amide:sc= 0.53 K(o=2.3,f=1.3) USER MOD Set 4.1: A 69 THR OG1 : rot 18:sc= -0.97 USER MOD Set 4.2: A 73 HIS : no HD1:sc= -0.0491 K(o=-1,f=-0.4) USER MOD Set 5.1: A 65 GLN : amide:sc= 0.724 K(o=1.7,f=0.75) USER MOD Set 5.2: A 68 THR OG1 : rot 100:sc= 0.988 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -131:sc= 0.317 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.048 (180deg=-0.275) USER MOD Single : A 56 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.82) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 88:sc= 1.95 USER MOD Single : A 84 THR OG1 : rot -68:sc= -0.0928 USER MOD Single : A 89 HIS : no HE2:sc= -0.709 K(o=-0.71,f=-4.4!) USER MOD Single : A 95 ASN : amide:sc= -0.183 K(o=-0.18,f=-6.7!) USER MOD Single : A 110 THR OG1 : rot 155:sc= -0.484! USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0028) USER MOD Single : A 122 MET CE :methyl -163:sc= -0.018 (180deg=-0.219) USER MOD Single : A 124 THR OG1 : rot 43:sc= 0.153 USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 132 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0213) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 30.781 -35.031 -47.824 1.00 44.14 N ATOM 58 CA ASN A 5 31.552 -35.483 -46.659 1.00 33.42 C ATOM 59 C ASN A 5 32.866 -34.736 -46.515 1.00 75.53 C ATOM 60 O ASN A 5 33.888 -35.147 -47.056 1.00 53.50 O ATOM 61 CB ASN A 5 31.791 -37.008 -46.670 1.00 45.05 C ATOM 62 CG ASN A 5 32.491 -37.509 -45.418 1.00 73.11 C ATOM 63 OD1 ASN A 5 32.321 -36.960 -44.326 1.00 5.34 O ATOM 64 ND2 ASN A 5 33.276 -38.540 -45.557 1.00 34.24 N ATOM 0 HA ASN A 5 30.940 -35.251 -45.787 1.00 33.42 H new ATOM 0 HB2 ASN A 5 30.834 -37.519 -46.774 1.00 45.05 H new ATOM 0 HB3 ASN A 5 32.389 -37.270 -47.543 1.00 45.05 H new ATOM 0 HD21 ASN A 5 33.772 -38.916 -44.749 1.00 34.24 H new ATOM 0 HD22 ASN A 5 33.395 -38.971 -46.474 1.00 34.24 H new ATOM 71 N GLY A 6 32.824 -33.630 -45.811 1.00 23.01 N ATOM 72 CA GLY A 6 34.015 -32.854 -45.582 1.00 70.42 C ATOM 73 C GLY A 6 34.252 -31.838 -46.673 1.00 60.54 C ATOM 74 O GLY A 6 34.197 -32.161 -47.858 1.00 72.21 O ATOM 0 H GLY A 6 31.978 -33.249 -45.388 1.00 23.01 H new ATOM 0 HA2 GLY A 6 33.935 -32.343 -44.623 1.00 70.42 H new ATOM 0 HA3 GLY A 6 34.874 -33.521 -45.516 1.00 70.42 H new ATOM 78 N THR A 7 34.488 -30.616 -46.292 1.00 43.45 N ATOM 79 CA THR A 7 34.742 -29.575 -47.246 1.00 74.31 C ATOM 80 C THR A 7 36.212 -29.119 -47.142 1.00 61.50 C ATOM 81 O THR A 7 36.689 -28.771 -46.035 1.00 74.10 O ATOM 82 CB THR A 7 33.800 -28.377 -46.998 1.00 5.02 C ATOM 83 OG1 THR A 7 32.446 -28.847 -46.926 1.00 70.01 O ATOM 84 CG2 THR A 7 33.905 -27.364 -48.124 1.00 12.50 C ATOM 0 H THR A 7 34.510 -30.314 -45.318 1.00 43.45 H new ATOM 0 HA THR A 7 34.556 -29.963 -48.248 1.00 74.31 H new ATOM 0 HB THR A 7 34.090 -27.898 -46.063 1.00 5.02 H new ATOM 0 HG1 THR A 7 31.845 -28.090 -46.767 1.00 70.01 H new ATOM 0 HG21 THR A 7 33.232 -26.530 -47.927 1.00 12.50 H new ATOM 0 HG22 THR A 7 34.929 -26.997 -48.189 1.00 12.50 H new ATOM 0 HG23 THR A 7 33.629 -27.837 -49.066 1.00 12.50 H new ATOM 92 N PRO A 8 36.956 -29.157 -48.264 1.00 43.34 N ATOM 93 CA PRO A 8 38.341 -28.709 -48.311 1.00 72.33 C ATOM 94 C PRO A 8 38.467 -27.201 -48.076 1.00 44.34 C ATOM 95 O PRO A 8 37.621 -26.413 -48.509 1.00 65.33 O ATOM 96 CB PRO A 8 38.809 -29.068 -49.728 1.00 14.13 C ATOM 97 CG PRO A 8 37.561 -29.182 -50.527 1.00 44.01 C ATOM 98 CD PRO A 8 36.500 -29.652 -49.576 1.00 73.55 C ATOM 0 HA PRO A 8 38.938 -29.179 -47.530 1.00 72.33 H new ATOM 0 HB2 PRO A 8 39.468 -28.300 -50.133 1.00 14.13 H new ATOM 0 HB3 PRO A 8 39.368 -30.003 -49.734 1.00 14.13 H new ATOM 0 HG2 PRO A 8 37.292 -28.222 -50.968 1.00 44.01 H new ATOM 0 HG3 PRO A 8 37.687 -29.887 -51.349 1.00 44.01 H new ATOM 0 HD2 PRO A 8 35.522 -29.248 -49.837 1.00 73.55 H new ATOM 0 HD3 PRO A 8 36.409 -30.738 -49.584 1.00 73.55 H new ATOM 106 N GLU A 9 39.491 -26.824 -47.376 1.00 62.14 N ATOM 107 CA GLU A 9 39.787 -25.448 -47.083 1.00 61.44 C ATOM 108 C GLU A 9 41.169 -25.139 -47.620 1.00 64.24 C ATOM 109 O GLU A 9 42.014 -26.040 -47.674 1.00 21.21 O ATOM 110 CB GLU A 9 39.750 -25.186 -45.580 1.00 53.41 C ATOM 111 CG GLU A 9 38.405 -25.434 -44.938 1.00 60.05 C ATOM 112 CD GLU A 9 38.428 -25.123 -43.475 1.00 15.33 C ATOM 113 OE1 GLU A 9 38.844 -25.984 -42.688 1.00 72.00 O ATOM 114 OE2 GLU A 9 38.059 -24.005 -43.083 1.00 21.21 O ATOM 0 H GLU A 9 40.165 -27.479 -46.980 1.00 62.14 H new ATOM 0 HA GLU A 9 39.038 -24.810 -47.551 1.00 61.44 H new ATOM 0 HB2 GLU A 9 40.493 -25.818 -45.095 1.00 53.41 H new ATOM 0 HB3 GLU A 9 40.042 -24.152 -45.396 1.00 53.41 H new ATOM 0 HG2 GLU A 9 37.648 -24.822 -45.429 1.00 60.05 H new ATOM 0 HG3 GLU A 9 38.117 -26.475 -45.085 1.00 60.05 H new ATOM 121 N PRO A 10 41.417 -23.909 -48.085 1.00 41.23 N ATOM 122 CA PRO A 10 42.737 -23.505 -48.586 1.00 50.41 C ATOM 123 C PRO A 10 43.816 -23.600 -47.501 1.00 33.32 C ATOM 124 O PRO A 10 43.516 -23.534 -46.288 1.00 3.50 O ATOM 125 CB PRO A 10 42.539 -22.038 -49.000 1.00 43.14 C ATOM 126 CG PRO A 10 41.070 -21.881 -49.176 1.00 31.51 C ATOM 127 CD PRO A 10 40.441 -22.803 -48.177 1.00 10.31 C ATOM 0 HA PRO A 10 43.075 -24.148 -49.398 1.00 50.41 H new ATOM 0 HB2 PRO A 10 42.920 -21.358 -48.238 1.00 43.14 H new ATOM 0 HB3 PRO A 10 43.073 -21.813 -49.923 1.00 43.14 H new ATOM 0 HG2 PRO A 10 40.763 -20.849 -49.004 1.00 31.51 H new ATOM 0 HG3 PRO A 10 40.768 -22.138 -50.191 1.00 31.51 H new ATOM 0 HD2 PRO A 10 40.293 -22.314 -47.214 1.00 10.31 H new ATOM 0 HD3 PRO A 10 39.464 -23.153 -48.510 1.00 10.31 H new ATOM 135 N GLN A 11 45.053 -23.761 -47.935 1.00 63.14 N ATOM 136 CA GLN A 11 46.193 -23.860 -47.054 1.00 32.31 C ATOM 137 C GLN A 11 46.412 -22.540 -46.342 1.00 61.14 C ATOM 138 O GLN A 11 46.065 -21.475 -46.863 1.00 22.12 O ATOM 139 CB GLN A 11 47.450 -24.248 -47.846 1.00 4.31 C ATOM 140 CG GLN A 11 47.848 -23.245 -48.927 1.00 63.34 C ATOM 141 CD GLN A 11 49.062 -23.676 -49.717 1.00 11.41 C ATOM 142 OE1 GLN A 11 49.319 -24.873 -49.895 1.00 13.04 O ATOM 143 NE2 GLN A 11 49.821 -22.723 -50.189 1.00 63.44 N ATOM 0 H GLN A 11 45.293 -23.827 -48.924 1.00 63.14 H new ATOM 0 HA GLN A 11 45.997 -24.635 -46.313 1.00 32.31 H new ATOM 0 HB2 GLN A 11 48.282 -24.364 -47.151 1.00 4.31 H new ATOM 0 HB3 GLN A 11 47.286 -25.220 -48.312 1.00 4.31 H new ATOM 0 HG2 GLN A 11 47.010 -23.103 -49.609 1.00 63.34 H new ATOM 0 HG3 GLN A 11 48.048 -22.279 -48.463 1.00 63.34 H new ATOM 0 HE21 GLN A 11 49.577 -21.747 -50.022 1.00 63.44 H new ATOM 0 HE22 GLN A 11 50.657 -22.955 -50.725 1.00 63.44 H new ATOM 152 N VAL A 12 46.949 -22.608 -45.180 1.00 35.51 N ATOM 153 CA VAL A 12 47.209 -21.421 -44.403 1.00 4.50 C ATOM 154 C VAL A 12 48.598 -20.852 -44.742 1.00 41.14 C ATOM 155 O VAL A 12 49.598 -21.588 -44.775 1.00 31.33 O ATOM 156 CB VAL A 12 47.028 -21.664 -42.864 1.00 1.30 C ATOM 157 CG1 VAL A 12 47.943 -22.763 -42.338 1.00 52.13 C ATOM 158 CG2 VAL A 12 47.215 -20.373 -42.073 1.00 3.15 C ATOM 0 H VAL A 12 47.226 -23.479 -44.728 1.00 35.51 H new ATOM 0 HA VAL A 12 46.464 -20.674 -44.676 1.00 4.50 H new ATOM 0 HB VAL A 12 46.003 -22.006 -42.720 1.00 1.30 H new ATOM 0 HG11 VAL A 12 47.779 -22.892 -41.268 1.00 52.13 H new ATOM 0 HG12 VAL A 12 47.723 -23.698 -42.854 1.00 52.13 H new ATOM 0 HG13 VAL A 12 48.982 -22.487 -42.515 1.00 52.13 H new ATOM 0 HG21 VAL A 12 47.083 -20.575 -41.010 1.00 3.15 H new ATOM 0 HG22 VAL A 12 48.218 -19.982 -42.246 1.00 3.15 H new ATOM 0 HG23 VAL A 12 46.478 -19.638 -42.397 1.00 3.15 H new ATOM 168 N GLU A 13 48.640 -19.575 -45.041 1.00 72.11 N ATOM 169 CA GLU A 13 49.870 -18.907 -45.404 1.00 44.13 C ATOM 170 C GLU A 13 50.694 -18.606 -44.158 1.00 33.15 C ATOM 171 O GLU A 13 50.144 -18.274 -43.100 1.00 62.45 O ATOM 172 CB GLU A 13 49.576 -17.613 -46.186 1.00 34.25 C ATOM 173 CG GLU A 13 48.803 -16.554 -45.404 1.00 22.22 C ATOM 174 CD GLU A 13 48.475 -15.340 -46.234 1.00 14.55 C ATOM 175 OE1 GLU A 13 49.311 -14.424 -46.340 1.00 51.13 O ATOM 176 OE2 GLU A 13 47.363 -15.272 -46.790 1.00 61.21 O ATOM 0 H GLU A 13 47.821 -18.967 -45.040 1.00 72.11 H new ATOM 0 HA GLU A 13 50.446 -19.570 -46.050 1.00 44.13 H new ATOM 0 HB2 GLU A 13 50.521 -17.182 -46.517 1.00 34.25 H new ATOM 0 HB3 GLU A 13 49.011 -17.867 -47.082 1.00 34.25 H new ATOM 0 HG2 GLU A 13 47.879 -16.991 -45.026 1.00 22.22 H new ATOM 0 HG3 GLU A 13 49.389 -16.249 -44.537 1.00 22.22 H new ATOM 183 N THR A 14 51.979 -18.764 -44.255 1.00 12.14 N ATOM 184 CA THR A 14 52.835 -18.445 -43.159 1.00 55.42 C ATOM 185 C THR A 14 53.484 -17.086 -43.436 1.00 74.32 C ATOM 186 O THR A 14 53.780 -16.752 -44.593 1.00 3.13 O ATOM 187 CB THR A 14 53.906 -19.565 -42.898 1.00 13.32 C ATOM 188 OG1 THR A 14 54.675 -19.278 -41.722 1.00 74.34 O ATOM 189 CG2 THR A 14 54.847 -19.751 -44.079 1.00 74.21 C ATOM 0 H THR A 14 52.457 -19.113 -45.086 1.00 12.14 H new ATOM 0 HA THR A 14 52.245 -18.388 -42.244 1.00 55.42 H new ATOM 0 HB THR A 14 53.351 -20.492 -42.755 1.00 13.32 H new ATOM 0 HG1 THR A 14 55.333 -19.990 -41.580 1.00 74.34 H new ATOM 0 HG21 THR A 14 55.568 -20.535 -43.850 1.00 74.21 H new ATOM 0 HG22 THR A 14 54.272 -20.033 -44.961 1.00 74.21 H new ATOM 0 HG23 THR A 14 55.376 -18.818 -44.273 1.00 74.21 H new ATOM 197 N THR A 15 53.642 -16.296 -42.417 1.00 45.01 N ATOM 198 CA THR A 15 54.212 -14.999 -42.540 1.00 74.20 C ATOM 199 C THR A 15 54.756 -14.606 -41.176 1.00 73.02 C ATOM 200 O THR A 15 54.362 -15.189 -40.161 1.00 24.32 O ATOM 201 CB THR A 15 53.151 -13.955 -43.053 1.00 31.41 C ATOM 202 OG1 THR A 15 53.760 -12.671 -43.261 1.00 42.14 O ATOM 203 CG2 THR A 15 51.978 -13.812 -42.081 1.00 3.13 C ATOM 0 H THR A 15 53.373 -16.543 -41.465 1.00 45.01 H new ATOM 0 HA THR A 15 55.015 -15.010 -43.277 1.00 74.20 H new ATOM 0 HB THR A 15 52.766 -14.332 -44.001 1.00 31.41 H new ATOM 0 HG1 THR A 15 53.085 -12.037 -43.581 1.00 42.14 H new ATOM 0 HG21 THR A 15 51.269 -13.083 -42.472 1.00 3.13 H new ATOM 0 HG22 THR A 15 51.481 -14.775 -41.966 1.00 3.13 H new ATOM 0 HG23 THR A 15 52.347 -13.476 -41.112 1.00 3.13 H new ATOM 211 N SER A 16 55.671 -13.688 -41.150 1.00 5.31 N ATOM 212 CA SER A 16 56.243 -13.245 -39.922 1.00 70.55 C ATOM 213 C SER A 16 55.550 -11.954 -39.512 1.00 50.40 C ATOM 214 O SER A 16 55.808 -10.882 -40.081 1.00 75.04 O ATOM 215 CB SER A 16 57.761 -13.052 -40.080 1.00 13.43 C ATOM 216 OG SER A 16 58.398 -12.876 -38.826 1.00 21.20 O ATOM 0 H SER A 16 56.041 -13.226 -41.981 1.00 5.31 H new ATOM 0 HA SER A 16 56.097 -13.991 -39.141 1.00 70.55 H new ATOM 0 HB2 SER A 16 58.188 -13.917 -40.587 1.00 13.43 H new ATOM 0 HB3 SER A 16 57.954 -12.185 -40.712 1.00 13.43 H new ATOM 0 HG SER A 16 59.361 -12.758 -38.962 1.00 21.20 H new ATOM 222 N VAL A 17 54.632 -12.054 -38.576 1.00 44.54 N ATOM 223 CA VAL A 17 53.871 -10.899 -38.168 1.00 45.42 C ATOM 224 C VAL A 17 53.920 -10.644 -36.662 1.00 33.21 C ATOM 225 O VAL A 17 53.209 -11.268 -35.860 1.00 44.20 O ATOM 226 CB VAL A 17 52.417 -10.912 -38.730 1.00 52.34 C ATOM 227 CG1 VAL A 17 51.655 -12.183 -38.353 1.00 23.45 C ATOM 228 CG2 VAL A 17 51.645 -9.665 -38.315 1.00 3.21 C ATOM 0 H VAL A 17 54.397 -12.918 -38.087 1.00 44.54 H new ATOM 0 HA VAL A 17 54.368 -10.043 -38.624 1.00 45.42 H new ATOM 0 HB VAL A 17 52.506 -10.906 -39.816 1.00 52.34 H new ATOM 0 HG11 VAL A 17 50.648 -12.141 -38.769 1.00 23.45 H new ATOM 0 HG12 VAL A 17 52.177 -13.052 -38.753 1.00 23.45 H new ATOM 0 HG13 VAL A 17 51.596 -12.263 -37.268 1.00 23.45 H new ATOM 0 HG21 VAL A 17 50.636 -9.709 -38.725 1.00 3.21 H new ATOM 0 HG22 VAL A 17 51.593 -9.614 -37.227 1.00 3.21 H new ATOM 0 HG23 VAL A 17 52.153 -8.779 -38.696 1.00 3.21 H new ATOM 616 N GLY A 45 3.200 -16.640 0.895 1.00 71.11 N ATOM 617 CA GLY A 45 1.910 -16.080 1.170 1.00 74.42 C ATOM 618 C GLY A 45 2.037 -14.592 1.337 1.00 5.45 C ATOM 619 O GLY A 45 1.966 -14.069 2.456 1.00 12.12 O ATOM 0 HA2 GLY A 45 1.221 -16.308 0.356 1.00 74.42 H new ATOM 0 HA3 GLY A 45 1.494 -16.524 2.074 1.00 74.42 H new ATOM 623 N SER A 46 2.222 -13.911 0.243 1.00 4.44 N ATOM 624 CA SER A 46 2.446 -12.487 0.268 1.00 53.40 C ATOM 625 C SER A 46 1.138 -11.712 0.181 1.00 34.45 C ATOM 626 O SER A 46 0.089 -12.257 -0.167 1.00 43.34 O ATOM 627 CB SER A 46 3.353 -12.083 -0.892 1.00 54.30 C ATOM 628 OG SER A 46 4.631 -12.702 -0.808 1.00 45.41 O ATOM 0 H SER A 46 2.223 -14.322 -0.691 1.00 4.44 H new ATOM 0 HA SER A 46 2.924 -12.243 1.217 1.00 53.40 H new ATOM 0 HB2 SER A 46 2.879 -12.356 -1.835 1.00 54.30 H new ATOM 0 HB3 SER A 46 3.474 -11.000 -0.898 1.00 54.30 H new ATOM 0 HG SER A 46 5.330 -12.027 -0.931 1.00 45.41 H new ATOM 634 N ALA A 47 1.213 -10.445 0.498 1.00 0.03 N ATOM 635 CA ALA A 47 0.081 -9.561 0.467 1.00 13.52 C ATOM 636 C ALA A 47 0.368 -8.454 -0.527 1.00 73.14 C ATOM 637 O ALA A 47 1.534 -8.276 -0.931 1.00 41.35 O ATOM 638 CB ALA A 47 -0.163 -9.003 1.852 1.00 64.15 C ATOM 0 H ALA A 47 2.079 -9.993 0.790 1.00 0.03 H new ATOM 0 HA ALA A 47 -0.818 -10.094 0.158 1.00 13.52 H new ATOM 0 HB1 ALA A 47 -1.022 -8.332 1.828 1.00 64.15 H new ATOM 0 HB2 ALA A 47 -0.361 -9.821 2.544 1.00 64.15 H new ATOM 0 HB3 ALA A 47 0.718 -8.453 2.183 1.00 64.15 H new ATOM 644 N LEU A 48 -0.647 -7.736 -0.944 1.00 24.51 N ATOM 645 CA LEU A 48 -0.465 -6.691 -1.928 1.00 51.34 C ATOM 646 C LEU A 48 -1.212 -5.429 -1.533 1.00 31.21 C ATOM 647 O LEU A 48 -2.188 -5.481 -0.768 1.00 32.12 O ATOM 648 CB LEU A 48 -0.906 -7.140 -3.350 1.00 60.13 C ATOM 649 CG LEU A 48 -2.420 -7.262 -3.649 1.00 11.54 C ATOM 650 CD1 LEU A 48 -2.627 -7.553 -5.113 1.00 54.11 C ATOM 651 CD2 LEU A 48 -3.080 -8.348 -2.830 1.00 4.05 C ATOM 0 H LEU A 48 -1.607 -7.854 -0.619 1.00 24.51 H new ATOM 0 HA LEU A 48 0.603 -6.478 -1.959 1.00 51.34 H new ATOM 0 HB2 LEU A 48 -0.482 -6.436 -4.066 1.00 60.13 H new ATOM 0 HB3 LEU A 48 -0.450 -8.110 -3.548 1.00 60.13 H new ATOM 0 HG LEU A 48 -2.881 -6.312 -3.379 1.00 11.54 H new ATOM 0 HD11 LEU A 48 -3.694 -7.638 -5.320 1.00 54.11 H new ATOM 0 HD12 LEU A 48 -2.206 -6.743 -5.708 1.00 54.11 H new ATOM 0 HD13 LEU A 48 -2.131 -8.489 -5.372 1.00 54.11 H new ATOM 0 HD21 LEU A 48 -4.141 -8.395 -3.075 1.00 4.05 H new ATOM 0 HD22 LEU A 48 -2.613 -9.307 -3.054 1.00 4.05 H new ATOM 0 HD23 LEU A 48 -2.962 -8.126 -1.769 1.00 4.05 H new ATOM 663 N LEU A 49 -0.761 -4.319 -2.044 1.00 21.03 N ATOM 664 CA LEU A 49 -1.441 -3.061 -1.855 1.00 1.22 C ATOM 665 C LEU A 49 -1.946 -2.574 -3.202 1.00 42.21 C ATOM 666 O LEU A 49 -1.212 -2.608 -4.190 1.00 12.20 O ATOM 667 CB LEU A 49 -0.548 -1.977 -1.176 1.00 42.04 C ATOM 668 CG LEU A 49 0.789 -1.591 -1.860 1.00 12.14 C ATOM 669 CD1 LEU A 49 1.266 -0.249 -1.351 1.00 21.30 C ATOM 670 CD2 LEU A 49 1.864 -2.615 -1.563 1.00 60.51 C ATOM 0 H LEU A 49 0.089 -4.256 -2.605 1.00 21.03 H new ATOM 0 HA LEU A 49 -2.274 -3.229 -1.173 1.00 1.22 H new ATOM 0 HB2 LEU A 49 -1.144 -1.070 -1.076 1.00 42.04 H new ATOM 0 HB3 LEU A 49 -0.318 -2.320 -0.167 1.00 42.04 H new ATOM 0 HG LEU A 49 0.609 -1.549 -2.934 1.00 12.14 H new ATOM 0 HD11 LEU A 49 2.206 0.012 -1.838 1.00 21.30 H new ATOM 0 HD12 LEU A 49 0.518 0.512 -1.574 1.00 21.30 H new ATOM 0 HD13 LEU A 49 1.419 -0.302 -0.273 1.00 21.30 H new ATOM 0 HD21 LEU A 49 2.792 -2.321 -2.054 1.00 60.51 H new ATOM 0 HD22 LEU A 49 2.025 -2.671 -0.486 1.00 60.51 H new ATOM 0 HD23 LEU A 49 1.550 -3.590 -1.934 1.00 60.51 H new ATOM 682 N VAL A 50 -3.182 -2.160 -3.248 1.00 73.04 N ATOM 683 CA VAL A 50 -3.805 -1.691 -4.467 1.00 3.13 C ATOM 684 C VAL A 50 -4.158 -0.217 -4.296 1.00 34.10 C ATOM 685 O VAL A 50 -4.715 0.185 -3.260 1.00 75.54 O ATOM 686 CB VAL A 50 -5.110 -2.488 -4.791 1.00 71.43 C ATOM 687 CG1 VAL A 50 -5.667 -2.108 -6.153 1.00 41.42 C ATOM 688 CG2 VAL A 50 -4.892 -3.996 -4.697 1.00 62.22 C ATOM 0 H VAL A 50 -3.797 -2.136 -2.434 1.00 73.04 H new ATOM 0 HA VAL A 50 -3.105 -1.837 -5.290 1.00 3.13 H new ATOM 0 HB VAL A 50 -5.846 -2.214 -4.035 1.00 71.43 H new ATOM 0 HG11 VAL A 50 -6.574 -2.680 -6.348 1.00 41.42 H new ATOM 0 HG12 VAL A 50 -5.900 -1.043 -6.167 1.00 41.42 H new ATOM 0 HG13 VAL A 50 -4.927 -2.328 -6.923 1.00 41.42 H new ATOM 0 HG21 VAL A 50 -5.823 -4.513 -4.929 1.00 62.22 H new ATOM 0 HG22 VAL A 50 -4.122 -4.297 -5.407 1.00 62.22 H new ATOM 0 HG23 VAL A 50 -4.575 -4.256 -3.687 1.00 62.22 H new ATOM 698 N VAL A 51 -3.849 0.584 -5.279 1.00 42.05 N ATOM 699 CA VAL A 51 -4.101 2.009 -5.196 1.00 51.52 C ATOM 700 C VAL A 51 -5.449 2.334 -5.790 1.00 50.43 C ATOM 701 O VAL A 51 -5.729 2.008 -6.942 1.00 43.02 O ATOM 702 CB VAL A 51 -2.999 2.830 -5.920 1.00 35.44 C ATOM 703 CG1 VAL A 51 -3.196 4.320 -5.671 1.00 44.20 C ATOM 704 CG2 VAL A 51 -1.622 2.391 -5.453 1.00 31.21 C ATOM 0 H VAL A 51 -3.420 0.279 -6.153 1.00 42.05 H new ATOM 0 HA VAL A 51 -4.089 2.284 -4.141 1.00 51.52 H new ATOM 0 HB VAL A 51 -3.077 2.647 -6.992 1.00 35.44 H new ATOM 0 HG11 VAL A 51 -2.416 4.881 -6.185 1.00 44.20 H new ATOM 0 HG12 VAL A 51 -4.172 4.626 -6.048 1.00 44.20 H new ATOM 0 HG13 VAL A 51 -3.142 4.520 -4.601 1.00 44.20 H new ATOM 0 HG21 VAL A 51 -0.860 2.975 -5.969 1.00 31.21 H new ATOM 0 HG22 VAL A 51 -1.535 2.549 -4.378 1.00 31.21 H new ATOM 0 HG23 VAL A 51 -1.482 1.333 -5.677 1.00 31.21 H new ATOM 714 N LYS A 52 -6.298 2.926 -4.984 1.00 63.20 N ATOM 715 CA LYS A 52 -7.608 3.332 -5.436 1.00 63.42 C ATOM 716 C LYS A 52 -7.586 4.777 -5.877 1.00 13.14 C ATOM 717 O LYS A 52 -8.169 5.139 -6.901 1.00 32.12 O ATOM 718 CB LYS A 52 -8.661 3.157 -4.339 1.00 33.11 C ATOM 719 CG LYS A 52 -8.997 1.725 -3.987 1.00 63.33 C ATOM 720 CD LYS A 52 -10.111 1.681 -2.949 1.00 24.44 C ATOM 721 CE LYS A 52 -10.591 0.264 -2.681 1.00 61.13 C ATOM 722 NZ LYS A 52 -11.159 -0.372 -3.887 1.00 52.24 N ATOM 0 H LYS A 52 -6.103 3.138 -4.006 1.00 63.20 H new ATOM 0 HA LYS A 52 -7.875 2.692 -6.277 1.00 63.42 H new ATOM 0 HB2 LYS A 52 -8.311 3.662 -3.439 1.00 33.11 H new ATOM 0 HB3 LYS A 52 -9.575 3.661 -4.653 1.00 33.11 H new ATOM 0 HG2 LYS A 52 -9.305 1.186 -4.883 1.00 63.33 H new ATOM 0 HG3 LYS A 52 -8.111 1.221 -3.601 1.00 63.33 H new ATOM 0 HD2 LYS A 52 -9.756 2.124 -2.019 1.00 24.44 H new ATOM 0 HD3 LYS A 52 -10.949 2.288 -3.292 1.00 24.44 H new ATOM 0 HE2 LYS A 52 -9.758 -0.336 -2.314 1.00 61.13 H new ATOM 0 HE3 LYS A 52 -11.344 0.281 -1.893 1.00 61.13 H new ATOM 0 HZ1 LYS A 52 -11.710 -1.210 -3.611 1.00 52.24 H new ATOM 0 HZ2 LYS A 52 -11.779 0.304 -4.377 1.00 52.24 H new ATOM 0 HZ3 LYS A 52 -10.388 -0.659 -4.524 1.00 52.24 H new ATOM 736 N ARG A 53 -6.904 5.592 -5.120 1.00 22.22 N ATOM 737 CA ARG A 53 -6.855 7.015 -5.376 1.00 23.33 C ATOM 738 C ARG A 53 -5.570 7.574 -4.831 1.00 31.25 C ATOM 739 O ARG A 53 -5.281 7.402 -3.648 1.00 14.45 O ATOM 740 CB ARG A 53 -8.055 7.720 -4.703 1.00 22.15 C ATOM 741 CG ARG A 53 -8.063 9.241 -4.854 1.00 62.10 C ATOM 742 CD ARG A 53 -9.214 9.868 -4.082 1.00 11.24 C ATOM 743 NE ARG A 53 -9.190 11.339 -4.148 1.00 50.21 N ATOM 744 CZ ARG A 53 -9.822 12.167 -3.293 1.00 50.44 C ATOM 745 NH1 ARG A 53 -10.546 11.679 -2.287 1.00 20.54 N ATOM 746 NH2 ARG A 53 -9.716 13.483 -3.453 1.00 1.24 N ATOM 0 H ARG A 53 -6.365 5.294 -4.307 1.00 22.22 H new ATOM 0 HA ARG A 53 -6.904 7.187 -6.451 1.00 23.33 H new ATOM 0 HB2 ARG A 53 -8.978 7.321 -5.124 1.00 22.15 H new ATOM 0 HB3 ARG A 53 -8.057 7.473 -3.641 1.00 22.15 H new ATOM 0 HG2 ARG A 53 -7.118 9.649 -4.496 1.00 62.10 H new ATOM 0 HG3 ARG A 53 -8.144 9.503 -5.909 1.00 62.10 H new ATOM 0 HD2 ARG A 53 -10.160 9.503 -4.483 1.00 11.24 H new ATOM 0 HD3 ARG A 53 -9.166 9.552 -3.040 1.00 11.24 H new ATOM 0 HE ARG A 53 -8.651 11.766 -4.902 1.00 50.21 H new ATOM 0 HH11 ARG A 53 -10.626 10.670 -2.158 1.00 20.54 H new ATOM 0 HH12 ARG A 53 -11.021 12.314 -1.645 1.00 20.54 H new ATOM 0 HH21 ARG A 53 -9.159 13.860 -4.220 1.00 1.24 H new ATOM 0 HH22 ARG A 53 -10.192 14.115 -2.809 1.00 1.24 H new ATOM 760 N GLY A 54 -4.812 8.215 -5.675 1.00 34.02 N ATOM 761 CA GLY A 54 -3.588 8.817 -5.255 1.00 5.43 C ATOM 762 C GLY A 54 -2.593 8.875 -6.383 1.00 53.01 C ATOM 763 O GLY A 54 -2.378 7.876 -7.042 1.00 5.13 O ATOM 0 H GLY A 54 -5.027 8.332 -6.665 1.00 34.02 H new ATOM 0 HA2 GLY A 54 -3.783 9.824 -4.887 1.00 5.43 H new ATOM 0 HA3 GLY A 54 -3.167 8.250 -4.425 1.00 5.43 H new ATOM 767 N PRO A 55 -1.969 10.044 -6.648 1.00 70.50 N ATOM 768 CA PRO A 55 -0.944 10.203 -7.705 1.00 60.52 C ATOM 769 C PRO A 55 0.302 9.329 -7.485 1.00 41.05 C ATOM 770 O PRO A 55 1.178 9.257 -8.345 1.00 64.24 O ATOM 771 CB PRO A 55 -0.568 11.678 -7.617 1.00 54.33 C ATOM 772 CG PRO A 55 -1.751 12.317 -7.006 1.00 33.41 C ATOM 773 CD PRO A 55 -2.251 11.330 -6.001 1.00 14.12 C ATOM 0 HA PRO A 55 -1.331 9.893 -8.676 1.00 60.52 H new ATOM 0 HB2 PRO A 55 0.324 11.826 -7.008 1.00 54.33 H new ATOM 0 HB3 PRO A 55 -0.354 12.094 -8.602 1.00 54.33 H new ATOM 0 HG2 PRO A 55 -1.488 13.263 -6.532 1.00 33.41 H new ATOM 0 HG3 PRO A 55 -2.512 12.536 -7.755 1.00 33.41 H new ATOM 0 HD2 PRO A 55 -1.733 11.426 -5.047 1.00 14.12 H new ATOM 0 HD3 PRO A 55 -3.315 11.459 -5.801 1.00 14.12 H new ATOM 781 N ASN A 56 0.377 8.703 -6.324 1.00 72.14 N ATOM 782 CA ASN A 56 1.461 7.795 -5.974 1.00 3.22 C ATOM 783 C ASN A 56 1.583 6.660 -7.024 1.00 10.12 C ATOM 784 O ASN A 56 2.693 6.318 -7.454 1.00 0.02 O ATOM 785 CB ASN A 56 1.215 7.204 -4.554 1.00 23.22 C ATOM 786 CG ASN A 56 -0.052 6.392 -4.387 1.00 41.23 C ATOM 787 OD1 ASN A 56 -1.113 6.934 -4.143 1.00 53.21 O ATOM 788 ND2 ASN A 56 0.070 5.096 -4.437 1.00 62.10 N ATOM 0 H ASN A 56 -0.320 8.810 -5.587 1.00 72.14 H new ATOM 0 HA ASN A 56 2.399 8.351 -5.968 1.00 3.22 H new ATOM 0 HB2 ASN A 56 2.065 6.574 -4.291 1.00 23.22 H new ATOM 0 HB3 ASN A 56 1.194 8.026 -3.838 1.00 23.22 H new ATOM 0 HD21 ASN A 56 -0.741 4.501 -4.269 1.00 62.10 H new ATOM 0 HD22 ASN A 56 0.976 4.677 -4.645 1.00 62.10 H new ATOM 795 N ALA A 57 0.428 6.131 -7.479 1.00 15.23 N ATOM 796 CA ALA A 57 0.356 5.038 -8.460 1.00 30.22 C ATOM 797 C ALA A 57 -1.108 4.728 -8.755 1.00 43.33 C ATOM 798 O ALA A 57 -1.982 5.480 -8.366 1.00 11.32 O ATOM 799 CB ALA A 57 1.062 3.786 -7.936 1.00 42.14 C ATOM 0 H ALA A 57 -0.488 6.457 -7.170 1.00 15.23 H new ATOM 0 HA ALA A 57 0.860 5.350 -9.375 1.00 30.22 H new ATOM 0 HB1 ALA A 57 0.995 2.992 -8.680 1.00 42.14 H new ATOM 0 HB2 ALA A 57 2.110 4.014 -7.742 1.00 42.14 H new ATOM 0 HB3 ALA A 57 0.585 3.459 -7.012 1.00 42.14 H new ATOM 805 N GLY A 58 -1.365 3.637 -9.437 1.00 4.43 N ATOM 806 CA GLY A 58 -2.720 3.243 -9.753 1.00 54.51 C ATOM 807 C GLY A 58 -2.772 1.774 -10.074 1.00 24.30 C ATOM 808 O GLY A 58 -3.634 1.311 -10.824 1.00 33.44 O ATOM 0 H GLY A 58 -0.648 3.001 -9.787 1.00 4.43 H new ATOM 0 HA2 GLY A 58 -3.376 3.462 -8.911 1.00 54.51 H new ATOM 0 HA3 GLY A 58 -3.086 3.821 -10.601 1.00 54.51 H new ATOM 812 N ALA A 59 -1.865 1.037 -9.481 1.00 72.31 N ATOM 813 CA ALA A 59 -1.708 -0.361 -9.743 1.00 11.52 C ATOM 814 C ALA A 59 -1.670 -1.088 -8.424 1.00 61.11 C ATOM 815 O ALA A 59 -2.011 -0.506 -7.379 1.00 15.14 O ATOM 816 CB ALA A 59 -0.411 -0.586 -10.514 1.00 42.41 C ATOM 0 H ALA A 59 -1.208 1.404 -8.793 1.00 72.31 H new ATOM 0 HA ALA A 59 -2.537 -0.737 -10.342 1.00 11.52 H new ATOM 0 HB1 ALA A 59 -0.288 -1.650 -10.716 1.00 42.41 H new ATOM 0 HB2 ALA A 59 -0.449 -0.040 -11.457 1.00 42.41 H new ATOM 0 HB3 ALA A 59 0.431 -0.229 -9.921 1.00 42.41 H new ATOM 822 N ARG A 60 -1.258 -2.325 -8.450 1.00 53.22 N ATOM 823 CA ARG A 60 -1.152 -3.086 -7.265 1.00 32.23 C ATOM 824 C ARG A 60 0.266 -3.582 -7.132 1.00 73.51 C ATOM 825 O ARG A 60 0.900 -3.934 -8.126 1.00 63.53 O ATOM 826 CB ARG A 60 -2.176 -4.247 -7.197 1.00 22.13 C ATOM 827 CG ARG A 60 -1.964 -5.488 -8.108 1.00 52.10 C ATOM 828 CD ARG A 60 -2.439 -5.346 -9.571 1.00 12.01 C ATOM 829 NE ARG A 60 -1.620 -4.465 -10.415 1.00 61.42 N ATOM 830 CZ ARG A 60 -0.411 -4.799 -10.931 1.00 12.13 C ATOM 831 NH1 ARG A 60 0.145 -5.984 -10.661 1.00 0.22 N ATOM 832 NH2 ARG A 60 0.211 -3.962 -11.741 1.00 25.41 N ATOM 0 H ARG A 60 -0.990 -2.822 -9.299 1.00 53.22 H new ATOM 0 HA ARG A 60 -1.396 -2.442 -6.420 1.00 32.23 H new ATOM 0 HB2 ARG A 60 -2.210 -4.597 -6.165 1.00 22.13 H new ATOM 0 HB3 ARG A 60 -3.158 -3.834 -7.426 1.00 22.13 H new ATOM 0 HG2 ARG A 60 -0.902 -5.731 -8.114 1.00 52.10 H new ATOM 0 HG3 ARG A 60 -2.483 -6.335 -7.660 1.00 52.10 H new ATOM 0 HD2 ARG A 60 -2.464 -6.337 -10.025 1.00 12.01 H new ATOM 0 HD3 ARG A 60 -3.462 -4.971 -9.569 1.00 12.01 H new ATOM 0 HE ARG A 60 -1.986 -3.537 -10.628 1.00 61.42 H new ATOM 0 HH11 ARG A 60 -0.341 -6.650 -10.060 1.00 0.22 H new ATOM 0 HH12 ARG A 60 1.055 -6.222 -11.056 1.00 0.22 H new ATOM 0 HH21 ARG A 60 -0.218 -3.067 -11.977 1.00 25.41 H new ATOM 0 HH22 ARG A 60 1.120 -4.210 -12.131 1.00 25.41 H new ATOM 846 N PHE A 61 0.774 -3.561 -5.942 1.00 43.31 N ATOM 847 CA PHE A 61 2.135 -3.970 -5.696 1.00 0.12 C ATOM 848 C PHE A 61 2.153 -5.147 -4.757 1.00 53.34 C ATOM 849 O PHE A 61 1.611 -5.073 -3.652 1.00 31.11 O ATOM 850 CB PHE A 61 2.958 -2.814 -5.109 1.00 74.24 C ATOM 851 CG PHE A 61 3.062 -1.611 -6.005 1.00 34.34 C ATOM 852 CD1 PHE A 61 4.090 -1.505 -6.928 1.00 44.54 C ATOM 853 CD2 PHE A 61 2.136 -0.580 -5.918 1.00 51.30 C ATOM 854 CE1 PHE A 61 4.191 -0.398 -7.751 1.00 34.34 C ATOM 855 CE2 PHE A 61 2.233 0.525 -6.736 1.00 60.42 C ATOM 856 CZ PHE A 61 3.262 0.617 -7.652 1.00 11.40 C ATOM 0 H PHE A 61 0.266 -3.262 -5.110 1.00 43.31 H new ATOM 0 HA PHE A 61 2.585 -4.260 -6.646 1.00 0.12 H new ATOM 0 HB2 PHE A 61 2.512 -2.510 -4.162 1.00 74.24 H new ATOM 0 HB3 PHE A 61 3.962 -3.175 -4.887 1.00 74.24 H new ATOM 0 HD1 PHE A 61 4.821 -2.296 -7.006 1.00 44.54 H new ATOM 0 HD2 PHE A 61 1.331 -0.645 -5.201 1.00 51.30 H new ATOM 0 HE1 PHE A 61 4.995 -0.328 -8.469 1.00 34.34 H new ATOM 0 HE2 PHE A 61 1.504 1.319 -6.661 1.00 60.42 H new ATOM 0 HZ PHE A 61 3.340 1.484 -8.291 1.00 11.40 H new ATOM 866 N LEU A 62 2.730 -6.230 -5.202 1.00 60.12 N ATOM 867 CA LEU A 62 2.846 -7.424 -4.393 1.00 14.42 C ATOM 868 C LEU A 62 4.170 -7.371 -3.637 1.00 33.43 C ATOM 869 O LEU A 62 5.207 -7.033 -4.219 1.00 75.31 O ATOM 870 CB LEU A 62 2.794 -8.674 -5.292 1.00 13.31 C ATOM 871 CG LEU A 62 2.803 -10.037 -4.581 1.00 73.41 C ATOM 872 CD1 LEU A 62 1.546 -10.219 -3.740 1.00 65.00 C ATOM 873 CD2 LEU A 62 2.938 -11.170 -5.589 1.00 4.44 C ATOM 0 H LEU A 62 3.134 -6.315 -6.135 1.00 60.12 H new ATOM 0 HA LEU A 62 2.020 -7.477 -3.684 1.00 14.42 H new ATOM 0 HB2 LEU A 62 1.894 -8.616 -5.904 1.00 13.31 H new ATOM 0 HB3 LEU A 62 3.645 -8.639 -5.972 1.00 13.31 H new ATOM 0 HG LEU A 62 3.666 -10.064 -3.916 1.00 73.41 H new ATOM 0 HD11 LEU A 62 1.576 -11.191 -3.247 1.00 65.00 H new ATOM 0 HD12 LEU A 62 1.494 -9.432 -2.988 1.00 65.00 H new ATOM 0 HD13 LEU A 62 0.667 -10.165 -4.383 1.00 65.00 H new ATOM 0 HD21 LEU A 62 2.942 -12.125 -5.064 1.00 4.44 H new ATOM 0 HD22 LEU A 62 2.098 -11.141 -6.283 1.00 4.44 H new ATOM 0 HD23 LEU A 62 3.870 -11.056 -6.142 1.00 4.44 H new ATOM 885 N LEU A 63 4.147 -7.670 -2.359 1.00 21.41 N ATOM 886 CA LEU A 63 5.367 -7.635 -1.575 1.00 23.24 C ATOM 887 C LEU A 63 6.153 -8.925 -1.724 1.00 53.12 C ATOM 888 O LEU A 63 5.692 -10.002 -1.322 1.00 33.32 O ATOM 889 CB LEU A 63 5.109 -7.347 -0.066 1.00 63.33 C ATOM 890 CG LEU A 63 4.635 -5.929 0.337 1.00 64.32 C ATOM 891 CD1 LEU A 63 3.230 -5.625 -0.157 1.00 12.21 C ATOM 892 CD2 LEU A 63 4.716 -5.748 1.843 1.00 4.14 C ATOM 0 H LEU A 63 3.310 -7.938 -1.842 1.00 21.41 H new ATOM 0 HA LEU A 63 5.954 -6.807 -1.972 1.00 23.24 H new ATOM 0 HB2 LEU A 63 4.364 -8.060 0.286 1.00 63.33 H new ATOM 0 HB3 LEU A 63 6.032 -7.556 0.476 1.00 63.33 H new ATOM 0 HG LEU A 63 5.307 -5.219 -0.146 1.00 64.32 H new ATOM 0 HD11 LEU A 63 2.945 -4.619 0.152 1.00 12.21 H new ATOM 0 HD12 LEU A 63 3.204 -5.691 -1.245 1.00 12.21 H new ATOM 0 HD13 LEU A 63 2.531 -6.346 0.267 1.00 12.21 H new ATOM 0 HD21 LEU A 63 4.379 -4.746 2.108 1.00 4.14 H new ATOM 0 HD22 LEU A 63 4.080 -6.486 2.333 1.00 4.14 H new ATOM 0 HD23 LEU A 63 5.747 -5.883 2.171 1.00 4.14 H new ATOM 904 N ASP A 64 7.329 -8.811 -2.312 1.00 35.10 N ATOM 905 CA ASP A 64 8.254 -9.935 -2.426 1.00 75.05 C ATOM 906 C ASP A 64 9.542 -9.560 -1.720 1.00 75.44 C ATOM 907 O ASP A 64 10.581 -10.183 -1.885 1.00 11.41 O ATOM 908 CB ASP A 64 8.509 -10.357 -3.901 1.00 72.12 C ATOM 909 CG ASP A 64 9.231 -9.334 -4.762 1.00 62.31 C ATOM 910 OD1 ASP A 64 8.564 -8.488 -5.397 1.00 33.14 O ATOM 911 OD2 ASP A 64 10.474 -9.403 -4.882 1.00 24.03 O ATOM 0 H ASP A 64 7.674 -7.944 -2.724 1.00 35.10 H new ATOM 0 HA ASP A 64 7.808 -10.809 -1.952 1.00 75.05 H new ATOM 0 HB2 ASP A 64 9.090 -11.280 -3.901 1.00 72.12 H new ATOM 0 HB3 ASP A 64 7.550 -10.584 -4.366 1.00 72.12 H new ATOM 916 N GLN A 65 9.416 -8.554 -0.880 1.00 54.42 N ATOM 917 CA GLN A 65 10.489 -8.041 -0.071 1.00 24.33 C ATOM 918 C GLN A 65 9.961 -7.854 1.354 1.00 3.12 C ATOM 919 O GLN A 65 8.790 -7.488 1.531 1.00 12.14 O ATOM 920 CB GLN A 65 11.071 -6.705 -0.633 1.00 75.30 C ATOM 921 CG GLN A 65 10.098 -5.510 -0.736 1.00 51.34 C ATOM 922 CD GLN A 65 9.040 -5.649 -1.824 1.00 71.51 C ATOM 923 OE1 GLN A 65 9.257 -6.275 -2.857 1.00 73.54 O ATOM 924 NE2 GLN A 65 7.893 -5.067 -1.610 1.00 32.42 N ATOM 0 H GLN A 65 8.535 -8.059 -0.741 1.00 54.42 H new ATOM 0 HA GLN A 65 11.314 -8.754 -0.081 1.00 24.33 H new ATOM 0 HB2 GLN A 65 11.909 -6.408 -0.002 1.00 75.30 H new ATOM 0 HB3 GLN A 65 11.474 -6.901 -1.627 1.00 75.30 H new ATOM 0 HG2 GLN A 65 9.599 -5.380 0.224 1.00 51.34 H new ATOM 0 HG3 GLN A 65 10.674 -4.603 -0.921 1.00 51.34 H new ATOM 0 HE21 GLN A 65 7.736 -4.552 -0.744 1.00 32.42 H new ATOM 0 HE22 GLN A 65 7.153 -5.127 -2.309 1.00 32.42 H new ATOM 933 N PRO A 66 10.793 -8.127 2.386 1.00 1.13 N ATOM 934 CA PRO A 66 10.375 -8.037 3.797 1.00 2.12 C ATOM 935 C PRO A 66 9.977 -6.620 4.233 1.00 14.32 C ATOM 936 O PRO A 66 9.135 -6.433 5.120 1.00 32.14 O ATOM 937 CB PRO A 66 11.601 -8.524 4.583 1.00 21.00 C ATOM 938 CG PRO A 66 12.747 -8.371 3.642 1.00 63.33 C ATOM 939 CD PRO A 66 12.190 -8.593 2.266 1.00 52.35 C ATOM 0 HA PRO A 66 9.478 -8.631 3.973 1.00 2.12 H new ATOM 0 HB2 PRO A 66 11.751 -7.933 5.487 1.00 21.00 H new ATOM 0 HB3 PRO A 66 11.483 -9.561 4.896 1.00 21.00 H new ATOM 0 HG2 PRO A 66 13.191 -7.379 3.727 1.00 63.33 H new ATOM 0 HG3 PRO A 66 13.533 -9.092 3.865 1.00 63.33 H new ATOM 0 HD2 PRO A 66 12.740 -8.027 1.513 1.00 52.35 H new ATOM 0 HD3 PRO A 66 12.241 -9.642 1.976 1.00 52.35 H new ATOM 947 N THR A 67 10.589 -5.631 3.648 1.00 10.15 N ATOM 948 CA THR A 67 10.287 -4.269 3.969 1.00 31.35 C ATOM 949 C THR A 67 10.193 -3.444 2.697 1.00 61.24 C ATOM 950 O THR A 67 11.135 -3.399 1.914 1.00 72.02 O ATOM 951 CB THR A 67 11.352 -3.671 4.919 1.00 25.30 C ATOM 952 OG1 THR A 67 11.470 -4.523 6.078 1.00 43.21 O ATOM 953 CG2 THR A 67 10.959 -2.266 5.371 1.00 51.03 C ATOM 0 H THR A 67 11.310 -5.747 2.936 1.00 10.15 H new ATOM 0 HA THR A 67 9.326 -4.244 4.483 1.00 31.35 H new ATOM 0 HB THR A 67 12.301 -3.609 4.386 1.00 25.30 H new ATOM 0 HG1 THR A 67 12.144 -4.155 6.687 1.00 43.21 H new ATOM 0 HG21 THR A 67 11.725 -1.871 6.038 1.00 51.03 H new ATOM 0 HG22 THR A 67 10.865 -1.617 4.501 1.00 51.03 H new ATOM 0 HG23 THR A 67 10.006 -2.307 5.898 1.00 51.03 H new ATOM 961 N THR A 68 9.061 -2.853 2.484 1.00 72.31 N ATOM 962 CA THR A 68 8.842 -1.984 1.365 1.00 22.54 C ATOM 963 C THR A 68 8.901 -0.559 1.906 1.00 72.14 C ATOM 964 O THR A 68 8.119 -0.215 2.805 1.00 43.11 O ATOM 965 CB THR A 68 7.443 -2.253 0.794 1.00 64.03 C ATOM 966 OG1 THR A 68 7.250 -3.674 0.671 1.00 4.14 O ATOM 967 CG2 THR A 68 7.264 -1.604 -0.569 1.00 34.31 C ATOM 0 H THR A 68 8.248 -2.960 3.090 1.00 72.31 H new ATOM 0 HA THR A 68 9.582 -2.141 0.580 1.00 22.54 H new ATOM 0 HB THR A 68 6.707 -1.824 1.474 1.00 64.03 H new ATOM 0 HG1 THR A 68 6.721 -3.999 1.429 1.00 4.14 H new ATOM 0 HG21 THR A 68 6.262 -1.815 -0.944 1.00 34.31 H new ATOM 0 HG22 THR A 68 7.398 -0.526 -0.479 1.00 34.31 H new ATOM 0 HG23 THR A 68 8.003 -2.005 -1.263 1.00 34.31 H new ATOM 975 N THR A 69 9.811 0.240 1.422 1.00 32.14 N ATOM 976 CA THR A 69 9.958 1.568 1.947 1.00 43.41 C ATOM 977 C THR A 69 9.287 2.571 0.980 1.00 21.13 C ATOM 978 O THR A 69 9.462 2.489 -0.257 1.00 73.12 O ATOM 979 CB THR A 69 11.473 1.888 2.250 1.00 71.01 C ATOM 980 OG1 THR A 69 11.613 3.065 3.049 1.00 41.24 O ATOM 981 CG2 THR A 69 12.300 2.053 0.983 1.00 53.40 C ATOM 0 H THR A 69 10.457 -0.003 0.671 1.00 32.14 H new ATOM 0 HA THR A 69 9.449 1.656 2.907 1.00 43.41 H new ATOM 0 HB THR A 69 11.850 1.026 2.800 1.00 71.01 H new ATOM 0 HG1 THR A 69 10.758 3.271 3.480 1.00 41.24 H new ATOM 0 HG21 THR A 69 13.334 2.272 1.249 1.00 53.40 H new ATOM 0 HG22 THR A 69 12.262 1.132 0.401 1.00 53.40 H new ATOM 0 HG23 THR A 69 11.897 2.874 0.390 1.00 53.40 H new ATOM 989 N ALA A 70 8.475 3.461 1.521 1.00 23.44 N ATOM 990 CA ALA A 70 7.705 4.371 0.706 1.00 4.50 C ATOM 991 C ALA A 70 7.902 5.815 1.132 1.00 31.14 C ATOM 992 O ALA A 70 7.606 6.187 2.282 1.00 41.44 O ATOM 993 CB ALA A 70 6.240 3.994 0.787 1.00 74.44 C ATOM 0 H ALA A 70 8.334 3.570 2.525 1.00 23.44 H new ATOM 0 HA ALA A 70 8.053 4.289 -0.324 1.00 4.50 H new ATOM 0 HB1 ALA A 70 5.654 4.678 0.173 1.00 74.44 H new ATOM 0 HB2 ALA A 70 6.106 2.975 0.424 1.00 74.44 H new ATOM 0 HB3 ALA A 70 5.905 4.057 1.822 1.00 74.44 H new ATOM 999 N GLY A 71 8.412 6.629 0.203 1.00 63.14 N ATOM 1000 CA GLY A 71 8.619 8.047 0.455 1.00 55.22 C ATOM 1001 C GLY A 71 9.562 8.273 1.594 1.00 74.54 C ATOM 1002 O GLY A 71 9.311 9.097 2.465 1.00 0.31 O ATOM 0 H GLY A 71 8.688 6.324 -0.730 1.00 63.14 H new ATOM 0 HA2 GLY A 71 9.012 8.523 -0.443 1.00 55.22 H new ATOM 0 HA3 GLY A 71 7.662 8.521 0.674 1.00 55.22 H new ATOM 1006 N ARG A 72 10.638 7.540 1.600 1.00 34.33 N ATOM 1007 CA ARG A 72 11.548 7.578 2.723 1.00 1.11 C ATOM 1008 C ARG A 72 13.002 7.594 2.264 1.00 32.11 C ATOM 1009 O ARG A 72 13.864 8.168 2.920 1.00 24.14 O ATOM 1010 CB ARG A 72 11.245 6.370 3.621 1.00 74.31 C ATOM 1011 CG ARG A 72 12.030 6.283 4.914 1.00 63.34 C ATOM 1012 CD ARG A 72 11.630 5.035 5.669 1.00 14.34 C ATOM 1013 NE ARG A 72 12.345 4.875 6.930 1.00 73.41 N ATOM 1014 CZ ARG A 72 12.781 3.701 7.405 1.00 32.32 C ATOM 1015 NH1 ARG A 72 12.726 2.611 6.642 1.00 44.22 N ATOM 1016 NH2 ARG A 72 13.300 3.622 8.627 1.00 61.51 N ATOM 0 H ARG A 72 10.912 6.909 0.846 1.00 34.33 H new ATOM 0 HA ARG A 72 11.402 8.499 3.288 1.00 1.11 H new ATOM 0 HB2 ARG A 72 10.183 6.383 3.865 1.00 74.31 H new ATOM 0 HB3 ARG A 72 11.429 5.462 3.047 1.00 74.31 H new ATOM 0 HG2 ARG A 72 13.099 6.264 4.701 1.00 63.34 H new ATOM 0 HG3 ARG A 72 11.842 7.166 5.525 1.00 63.34 H new ATOM 0 HD2 ARG A 72 10.559 5.065 5.867 1.00 14.34 H new ATOM 0 HD3 ARG A 72 11.814 4.163 5.041 1.00 14.34 H new ATOM 0 HE ARG A 72 12.525 5.711 7.486 1.00 73.41 H new ATOM 0 HH11 ARG A 72 12.352 2.670 5.695 1.00 44.22 H new ATOM 0 HH12 ARG A 72 13.058 1.717 7.005 1.00 44.22 H new ATOM 0 HH21 ARG A 72 13.368 4.458 9.207 1.00 61.51 H new ATOM 0 HH22 ARG A 72 13.630 2.725 8.984 1.00 61.51 H new ATOM 1030 N HIS A 73 13.267 6.974 1.149 1.00 74.51 N ATOM 1031 CA HIS A 73 14.608 6.917 0.600 1.00 63.42 C ATOM 1032 C HIS A 73 14.536 7.361 -0.845 1.00 43.32 C ATOM 1033 O HIS A 73 13.458 7.360 -1.425 1.00 51.42 O ATOM 1034 CB HIS A 73 15.170 5.463 0.652 1.00 34.13 C ATOM 1035 CG HIS A 73 15.382 4.890 2.029 1.00 24.44 C ATOM 1036 ND1 HIS A 73 16.615 4.578 2.556 1.00 0.31 N ATOM 1037 CD2 HIS A 73 14.482 4.541 2.971 1.00 30.10 C ATOM 1038 CE1 HIS A 73 16.425 4.063 3.773 1.00 21.12 C ATOM 1039 NE2 HIS A 73 15.138 4.019 4.072 1.00 11.25 N ATOM 0 H HIS A 73 12.565 6.491 0.589 1.00 74.51 H new ATOM 0 HA HIS A 73 15.266 7.561 1.183 1.00 63.42 H new ATOM 0 HB2 HIS A 73 14.487 4.810 0.109 1.00 34.13 H new ATOM 0 HB3 HIS A 73 16.121 5.442 0.120 1.00 34.13 H new ATOM 0 HD2 HIS A 73 13.412 4.652 2.880 1.00 30.10 H new ATOM 0 HE1 HIS A 73 17.217 3.727 4.426 1.00 21.12 H new ATOM 0 HE2 HIS A 73 14.717 3.673 4.934 1.00 11.25 H new ATOM 1047 N PRO A 74 15.646 7.775 -1.456 1.00 74.31 N ATOM 1048 CA PRO A 74 15.663 8.059 -2.892 1.00 45.31 C ATOM 1049 C PRO A 74 15.392 6.771 -3.692 1.00 0.31 C ATOM 1050 O PRO A 74 14.852 6.801 -4.791 1.00 42.11 O ATOM 1051 CB PRO A 74 17.082 8.588 -3.147 1.00 71.32 C ATOM 1052 CG PRO A 74 17.886 8.157 -1.967 1.00 24.32 C ATOM 1053 CD PRO A 74 16.936 8.089 -0.811 1.00 73.04 C ATOM 0 HA PRO A 74 14.898 8.772 -3.199 1.00 45.31 H new ATOM 0 HB2 PRO A 74 17.492 8.181 -4.071 1.00 71.32 H new ATOM 0 HB3 PRO A 74 17.084 9.673 -3.248 1.00 71.32 H new ATOM 0 HG2 PRO A 74 18.350 7.187 -2.146 1.00 24.32 H new ATOM 0 HG3 PRO A 74 18.692 8.863 -1.767 1.00 24.32 H new ATOM 0 HD2 PRO A 74 17.227 7.320 -0.095 1.00 73.04 H new ATOM 0 HD3 PRO A 74 16.895 9.032 -0.267 1.00 73.04 H new ATOM 1061 N GLU A 75 15.713 5.640 -3.076 1.00 23.45 N ATOM 1062 CA GLU A 75 15.515 4.339 -3.674 1.00 74.34 C ATOM 1063 C GLU A 75 14.225 3.669 -3.160 1.00 12.52 C ATOM 1064 O GLU A 75 14.141 2.429 -3.124 1.00 3.15 O ATOM 1065 CB GLU A 75 16.725 3.439 -3.396 1.00 24.40 C ATOM 1066 CG GLU A 75 17.031 3.210 -1.924 1.00 71.05 C ATOM 1067 CD GLU A 75 18.178 2.257 -1.732 1.00 61.03 C ATOM 1068 OE1 GLU A 75 17.966 1.030 -1.793 1.00 20.41 O ATOM 1069 OE2 GLU A 75 19.315 2.716 -1.514 1.00 42.25 O ATOM 0 H GLU A 75 16.120 5.607 -2.141 1.00 23.45 H new ATOM 0 HA GLU A 75 15.411 4.480 -4.750 1.00 74.34 H new ATOM 0 HB2 GLU A 75 16.557 2.473 -3.871 1.00 24.40 H new ATOM 0 HB3 GLU A 75 17.603 3.879 -3.870 1.00 24.40 H new ATOM 0 HG2 GLU A 75 17.267 4.163 -1.450 1.00 71.05 H new ATOM 0 HG3 GLU A 75 16.145 2.817 -1.426 1.00 71.05 H new ATOM 1076 N SER A 76 13.221 4.476 -2.795 1.00 33.43 N ATOM 1077 CA SER A 76 11.943 3.936 -2.318 1.00 55.43 C ATOM 1078 C SER A 76 11.347 2.951 -3.329 1.00 75.11 C ATOM 1079 O SER A 76 11.382 3.189 -4.550 1.00 11.30 O ATOM 1080 CB SER A 76 10.935 5.045 -1.989 1.00 14.44 C ATOM 1081 OG SER A 76 11.402 5.888 -0.932 1.00 5.55 O ATOM 0 H SER A 76 13.268 5.495 -2.820 1.00 33.43 H new ATOM 0 HA SER A 76 12.153 3.398 -1.393 1.00 55.43 H new ATOM 0 HB2 SER A 76 10.752 5.646 -2.880 1.00 14.44 H new ATOM 0 HB3 SER A 76 9.982 4.598 -1.704 1.00 14.44 H new ATOM 0 HG SER A 76 11.940 6.616 -1.308 1.00 5.55 H new ATOM 1087 N ASP A 77 10.848 1.846 -2.805 1.00 2.21 N ATOM 1088 CA ASP A 77 10.284 0.754 -3.598 1.00 52.22 C ATOM 1089 C ASP A 77 9.100 1.251 -4.387 1.00 42.11 C ATOM 1090 O ASP A 77 8.947 0.960 -5.579 1.00 1.24 O ATOM 1091 CB ASP A 77 9.849 -0.395 -2.678 1.00 52.41 C ATOM 1092 CG ASP A 77 10.987 -0.996 -1.891 1.00 24.33 C ATOM 1093 OD1 ASP A 77 11.318 -0.477 -0.801 1.00 62.53 O ATOM 1094 OD2 ASP A 77 11.569 -1.989 -2.337 1.00 52.14 O ATOM 0 H ASP A 77 10.820 1.674 -1.800 1.00 2.21 H new ATOM 0 HA ASP A 77 11.046 0.389 -4.287 1.00 52.22 H new ATOM 0 HB2 ASP A 77 9.091 -0.029 -1.985 1.00 52.41 H new ATOM 0 HB3 ASP A 77 9.381 -1.175 -3.279 1.00 52.41 H new ATOM 1099 N ILE A 78 8.279 2.012 -3.730 1.00 63.43 N ATOM 1100 CA ILE A 78 7.143 2.619 -4.357 1.00 11.01 C ATOM 1101 C ILE A 78 7.205 4.109 -4.129 1.00 62.55 C ATOM 1102 O ILE A 78 7.845 4.580 -3.172 1.00 24.42 O ATOM 1103 CB ILE A 78 5.783 2.074 -3.831 1.00 11.02 C ATOM 1104 CG1 ILE A 78 5.640 2.315 -2.324 1.00 35.23 C ATOM 1105 CG2 ILE A 78 5.628 0.590 -4.163 1.00 33.42 C ATOM 1106 CD1 ILE A 78 4.278 1.978 -1.774 1.00 44.33 C ATOM 0 H ILE A 78 8.378 2.231 -2.739 1.00 63.43 H new ATOM 0 HA ILE A 78 7.188 2.374 -5.418 1.00 11.01 H new ATOM 0 HB ILE A 78 4.985 2.619 -4.334 1.00 11.02 H new ATOM 0 HG12 ILE A 78 6.389 1.722 -1.799 1.00 35.23 H new ATOM 0 HG13 ILE A 78 5.857 3.362 -2.112 1.00 35.23 H new ATOM 0 HG21 ILE A 78 4.670 0.231 -3.786 1.00 33.42 H new ATOM 0 HG22 ILE A 78 5.667 0.453 -5.244 1.00 33.42 H new ATOM 0 HG23 ILE A 78 6.436 0.026 -3.697 1.00 33.42 H new ATOM 0 HD11 ILE A 78 4.259 2.176 -0.702 1.00 44.33 H new ATOM 0 HD12 ILE A 78 3.524 2.590 -2.269 1.00 44.33 H new ATOM 0 HD13 ILE A 78 4.064 0.924 -1.952 1.00 44.33 H new ATOM 1118 N PHE A 79 6.564 4.832 -4.975 1.00 12.13 N ATOM 1119 CA PHE A 79 6.531 6.254 -4.892 1.00 11.40 C ATOM 1120 C PHE A 79 5.179 6.711 -4.417 1.00 12.52 C ATOM 1121 O PHE A 79 4.152 6.183 -4.825 1.00 74.02 O ATOM 1122 CB PHE A 79 6.906 6.910 -6.222 1.00 32.44 C ATOM 1123 CG PHE A 79 8.337 6.665 -6.630 1.00 4.11 C ATOM 1124 CD1 PHE A 79 9.370 7.387 -6.050 1.00 74.21 C ATOM 1125 CD2 PHE A 79 8.649 5.717 -7.585 1.00 22.34 C ATOM 1126 CE1 PHE A 79 10.681 7.167 -6.419 1.00 42.04 C ATOM 1127 CE2 PHE A 79 9.956 5.491 -7.960 1.00 31.12 C ATOM 1128 CZ PHE A 79 10.973 6.219 -7.375 1.00 70.41 C ATOM 0 H PHE A 79 6.037 4.449 -5.760 1.00 12.13 H new ATOM 0 HA PHE A 79 7.280 6.569 -4.165 1.00 11.40 H new ATOM 0 HB2 PHE A 79 6.244 6.535 -7.003 1.00 32.44 H new ATOM 0 HB3 PHE A 79 6.736 7.984 -6.149 1.00 32.44 H new ATOM 0 HD1 PHE A 79 9.145 8.131 -5.300 1.00 74.21 H new ATOM 0 HD2 PHE A 79 7.857 5.144 -8.045 1.00 22.34 H new ATOM 0 HE1 PHE A 79 11.476 7.736 -5.960 1.00 42.04 H new ATOM 0 HE2 PHE A 79 10.184 4.747 -8.709 1.00 31.12 H new ATOM 0 HZ PHE A 79 11.998 6.045 -7.667 1.00 70.41 H new ATOM 1138 N LEU A 80 5.190 7.640 -3.523 1.00 25.23 N ATOM 1139 CA LEU A 80 4.002 8.179 -2.958 1.00 54.12 C ATOM 1140 C LEU A 80 3.797 9.553 -3.499 1.00 53.01 C ATOM 1141 O LEU A 80 4.682 10.084 -4.183 1.00 74.13 O ATOM 1142 CB LEU A 80 4.067 8.195 -1.432 1.00 60.52 C ATOM 1143 CG LEU A 80 4.109 6.826 -0.755 1.00 2.05 C ATOM 1144 CD1 LEU A 80 4.245 6.991 0.738 1.00 75.40 C ATOM 1145 CD2 LEU A 80 2.858 6.016 -1.082 1.00 74.31 C ATOM 0 H LEU A 80 6.046 8.055 -3.156 1.00 25.23 H new ATOM 0 HA LEU A 80 3.156 7.548 -3.231 1.00 54.12 H new ATOM 0 HB2 LEU A 80 4.952 8.756 -1.130 1.00 60.52 H new ATOM 0 HB3 LEU A 80 3.201 8.739 -1.056 1.00 60.52 H new ATOM 0 HG LEU A 80 4.975 6.283 -1.135 1.00 2.05 H new ATOM 0 HD11 LEU A 80 4.274 6.010 1.211 1.00 75.40 H new ATOM 0 HD12 LEU A 80 5.166 7.529 0.962 1.00 75.40 H new ATOM 0 HD13 LEU A 80 3.393 7.553 1.121 1.00 75.40 H new ATOM 0 HD21 LEU A 80 2.913 5.046 -0.588 1.00 74.31 H new ATOM 0 HD22 LEU A 80 1.976 6.552 -0.732 1.00 74.31 H new ATOM 0 HD23 LEU A 80 2.790 5.871 -2.160 1.00 74.31 H new ATOM 1157 N ASP A 81 2.661 10.128 -3.210 1.00 2.12 N ATOM 1158 CA ASP A 81 2.343 11.437 -3.691 1.00 54.03 C ATOM 1159 C ASP A 81 3.260 12.452 -3.076 1.00 53.55 C ATOM 1160 O ASP A 81 3.360 12.584 -1.866 1.00 11.22 O ATOM 1161 CB ASP A 81 0.893 11.798 -3.458 1.00 71.33 C ATOM 1162 CG ASP A 81 0.618 13.239 -3.809 1.00 35.34 C ATOM 1163 OD1 ASP A 81 0.420 13.548 -4.989 1.00 54.21 O ATOM 1164 OD2 ASP A 81 0.615 14.085 -2.901 1.00 62.41 O ATOM 0 H ASP A 81 1.934 9.700 -2.636 1.00 2.12 H new ATOM 0 HA ASP A 81 2.493 11.437 -4.771 1.00 54.03 H new ATOM 0 HB2 ASP A 81 0.255 11.148 -4.057 1.00 71.33 H new ATOM 0 HB3 ASP A 81 0.637 11.622 -2.413 1.00 71.33 H new ATOM 1169 N ASP A 82 3.919 13.138 -3.929 1.00 55.13 N ATOM 1170 CA ASP A 82 4.952 14.107 -3.564 1.00 1.41 C ATOM 1171 C ASP A 82 4.438 15.327 -2.834 1.00 33.11 C ATOM 1172 O ASP A 82 5.214 16.043 -2.202 1.00 1.31 O ATOM 1173 CB ASP A 82 5.776 14.534 -4.764 1.00 41.53 C ATOM 1174 CG ASP A 82 6.661 13.436 -5.279 1.00 31.43 C ATOM 1175 OD1 ASP A 82 7.737 13.196 -4.689 1.00 55.22 O ATOM 1176 OD2 ASP A 82 6.311 12.775 -6.268 1.00 4.04 O ATOM 0 H ASP A 82 3.772 13.060 -4.935 1.00 55.13 H new ATOM 0 HA ASP A 82 5.587 13.569 -2.860 1.00 1.41 H new ATOM 0 HB2 ASP A 82 5.108 14.860 -5.561 1.00 41.53 H new ATOM 0 HB3 ASP A 82 6.390 15.392 -4.491 1.00 41.53 H new ATOM 1181 N VAL A 83 3.158 15.569 -2.890 1.00 14.41 N ATOM 1182 CA VAL A 83 2.598 16.726 -2.229 1.00 34.32 C ATOM 1183 C VAL A 83 2.184 16.341 -0.805 1.00 33.11 C ATOM 1184 O VAL A 83 2.127 17.175 0.105 1.00 21.15 O ATOM 1185 CB VAL A 83 1.381 17.294 -3.016 1.00 61.10 C ATOM 1186 CG1 VAL A 83 0.862 18.581 -2.389 1.00 52.35 C ATOM 1187 CG2 VAL A 83 1.746 17.525 -4.477 1.00 43.13 C ATOM 0 H VAL A 83 2.481 14.986 -3.383 1.00 14.41 H new ATOM 0 HA VAL A 83 3.355 17.509 -2.191 1.00 34.32 H new ATOM 0 HB VAL A 83 0.583 16.553 -2.967 1.00 61.10 H new ATOM 0 HG11 VAL A 83 0.013 18.949 -2.964 1.00 52.35 H new ATOM 0 HG12 VAL A 83 0.548 18.385 -1.364 1.00 52.35 H new ATOM 0 HG13 VAL A 83 1.653 19.331 -2.390 1.00 52.35 H new ATOM 0 HG21 VAL A 83 0.882 17.922 -5.010 1.00 43.13 H new ATOM 0 HG22 VAL A 83 2.569 18.237 -4.538 1.00 43.13 H new ATOM 0 HG23 VAL A 83 2.049 16.581 -4.930 1.00 43.13 H new ATOM 1197 N THR A 84 1.923 15.078 -0.614 1.00 55.23 N ATOM 1198 CA THR A 84 1.515 14.587 0.678 1.00 34.13 C ATOM 1199 C THR A 84 2.640 13.864 1.420 1.00 63.11 C ATOM 1200 O THR A 84 2.486 13.499 2.583 1.00 5.11 O ATOM 1201 CB THR A 84 0.251 13.712 0.578 1.00 22.14 C ATOM 1202 OG1 THR A 84 0.378 12.807 -0.522 1.00 64.43 O ATOM 1203 CG2 THR A 84 -0.990 14.578 0.392 1.00 1.34 C ATOM 0 H THR A 84 1.985 14.364 -1.340 1.00 55.23 H new ATOM 0 HA THR A 84 1.267 15.464 1.275 1.00 34.13 H new ATOM 0 HB THR A 84 0.144 13.148 1.504 1.00 22.14 H new ATOM 0 HG1 THR A 84 0.363 13.310 -1.363 1.00 64.43 H new ATOM 0 HG21 THR A 84 -1.872 13.941 0.324 1.00 1.34 H new ATOM 0 HG22 THR A 84 -1.094 15.252 1.243 1.00 1.34 H new ATOM 0 HG23 THR A 84 -0.892 15.162 -0.523 1.00 1.34 H new ATOM 1211 N VAL A 85 3.790 13.722 0.776 1.00 71.21 N ATOM 1212 CA VAL A 85 4.910 13.067 1.406 1.00 11.44 C ATOM 1213 C VAL A 85 5.608 14.090 2.313 1.00 20.23 C ATOM 1214 O VAL A 85 5.984 15.187 1.879 1.00 51.15 O ATOM 1215 CB VAL A 85 5.910 12.435 0.350 1.00 1.21 C ATOM 1216 CG1 VAL A 85 6.640 13.480 -0.485 1.00 20.33 C ATOM 1217 CG2 VAL A 85 6.895 11.485 1.015 1.00 51.14 C ATOM 0 H VAL A 85 3.964 14.051 -0.174 1.00 71.21 H new ATOM 0 HA VAL A 85 4.551 12.227 2.001 1.00 11.44 H new ATOM 0 HB VAL A 85 5.292 11.862 -0.342 1.00 1.21 H new ATOM 0 HG11 VAL A 85 7.308 12.982 -1.188 1.00 20.33 H new ATOM 0 HG12 VAL A 85 5.914 14.077 -1.036 1.00 20.33 H new ATOM 0 HG13 VAL A 85 7.221 14.129 0.171 1.00 20.33 H new ATOM 0 HG21 VAL A 85 7.565 11.070 0.262 1.00 51.14 H new ATOM 0 HG22 VAL A 85 7.477 12.027 1.760 1.00 51.14 H new ATOM 0 HG23 VAL A 85 6.349 10.676 1.500 1.00 51.14 H new ATOM 1227 N SER A 86 5.694 13.779 3.573 1.00 3.14 N ATOM 1228 CA SER A 86 6.232 14.701 4.547 1.00 33.10 C ATOM 1229 C SER A 86 7.534 14.186 5.172 1.00 10.11 C ATOM 1230 O SER A 86 7.716 14.279 6.394 1.00 64.42 O ATOM 1231 CB SER A 86 5.157 14.929 5.614 1.00 30.21 C ATOM 1232 OG SER A 86 4.678 13.687 6.111 1.00 42.20 O ATOM 0 H SER A 86 5.396 12.884 3.960 1.00 3.14 H new ATOM 0 HA SER A 86 6.488 15.640 4.057 1.00 33.10 H new ATOM 0 HB2 SER A 86 5.568 15.521 6.432 1.00 30.21 H new ATOM 0 HB3 SER A 86 4.331 15.501 5.190 1.00 30.21 H new ATOM 0 HG SER A 86 3.993 13.850 6.793 1.00 42.20 H new ATOM 1238 N ARG A 87 8.456 13.691 4.311 1.00 42.43 N ATOM 1239 CA ARG A 87 9.767 13.128 4.733 1.00 33.24 C ATOM 1240 C ARG A 87 9.579 11.840 5.504 1.00 41.42 C ATOM 1241 O ARG A 87 9.120 11.874 6.646 1.00 63.24 O ATOM 1242 CB ARG A 87 10.574 14.096 5.614 1.00 14.43 C ATOM 1243 CG ARG A 87 10.960 15.397 4.974 1.00 42.11 C ATOM 1244 CD ARG A 87 11.623 16.291 5.989 1.00 31.33 C ATOM 1245 NE ARG A 87 12.049 17.553 5.408 1.00 40.15 N ATOM 1246 CZ ARG A 87 11.875 18.748 5.963 1.00 23.11 C ATOM 1247 NH1 ARG A 87 11.185 18.872 7.100 1.00 62.32 N ATOM 1248 NH2 ARG A 87 12.376 19.819 5.368 1.00 72.21 N ATOM 0 H ARG A 87 8.313 13.670 3.301 1.00 42.43 H new ATOM 0 HA ARG A 87 10.321 12.948 3.812 1.00 33.24 H new ATOM 0 HB2 ARG A 87 9.992 14.312 6.510 1.00 14.43 H new ATOM 0 HB3 ARG A 87 11.483 13.589 5.939 1.00 14.43 H new ATOM 0 HG2 ARG A 87 11.637 15.215 4.140 1.00 42.11 H new ATOM 0 HG3 ARG A 87 10.076 15.888 4.566 1.00 42.11 H new ATOM 0 HD2 ARG A 87 10.931 16.485 6.808 1.00 31.33 H new ATOM 0 HD3 ARG A 87 12.486 15.779 6.415 1.00 31.33 H new ATOM 0 HE ARG A 87 12.518 17.519 4.503 1.00 40.15 H new ATOM 0 HH11 ARG A 87 10.788 18.046 7.548 1.00 62.32 H new ATOM 0 HH12 ARG A 87 11.056 19.792 7.520 1.00 62.32 H new ATOM 0 HH21 ARG A 87 12.890 19.722 4.492 1.00 72.21 H new ATOM 0 HH22 ARG A 87 12.248 20.741 5.785 1.00 72.21 H new ATOM 1262 N ARG A 88 9.933 10.710 4.878 1.00 3.45 N ATOM 1263 CA ARG A 88 9.838 9.380 5.503 1.00 63.21 C ATOM 1264 C ARG A 88 8.390 9.080 5.789 1.00 61.21 C ATOM 1265 O ARG A 88 7.920 9.257 6.899 1.00 62.10 O ATOM 1266 CB ARG A 88 10.692 9.298 6.788 1.00 0.23 C ATOM 1267 CG ARG A 88 12.135 9.712 6.573 1.00 34.43 C ATOM 1268 CD ARG A 88 12.907 9.768 7.866 1.00 53.22 C ATOM 1269 NE ARG A 88 14.278 10.212 7.650 1.00 33.34 N ATOM 1270 CZ ARG A 88 15.236 10.220 8.576 1.00 22.20 C ATOM 1271 NH1 ARG A 88 15.007 9.711 9.792 1.00 34.42 N ATOM 1272 NH2 ARG A 88 16.427 10.717 8.274 1.00 4.25 N ATOM 0 H ARG A 88 10.294 10.690 3.924 1.00 3.45 H new ATOM 0 HA ARG A 88 10.234 8.632 4.816 1.00 63.21 H new ATOM 0 HB2 ARG A 88 10.248 9.935 7.553 1.00 0.23 H new ATOM 0 HB3 ARG A 88 10.666 8.277 7.169 1.00 0.23 H new ATOM 0 HG2 ARG A 88 12.616 9.008 5.894 1.00 34.43 H new ATOM 0 HG3 ARG A 88 12.163 10.690 6.092 1.00 34.43 H new ATOM 0 HD2 ARG A 88 12.409 10.446 8.559 1.00 53.22 H new ATOM 0 HD3 ARG A 88 12.912 8.782 8.331 1.00 53.22 H new ATOM 0 HE ARG A 88 14.524 10.543 6.717 1.00 33.34 H new ATOM 0 HH11 ARG A 88 14.094 9.314 10.015 1.00 34.42 H new ATOM 0 HH12 ARG A 88 15.745 9.720 10.496 1.00 34.42 H new ATOM 0 HH21 ARG A 88 16.603 11.088 7.340 1.00 4.25 H new ATOM 0 HH22 ARG A 88 17.168 10.728 8.975 1.00 4.25 H new ATOM 1286 N HIS A 89 7.667 8.701 4.777 1.00 31.30 N ATOM 1287 CA HIS A 89 6.256 8.560 4.956 1.00 44.14 C ATOM 1288 C HIS A 89 5.832 7.190 5.516 1.00 10.13 C ATOM 1289 O HIS A 89 5.386 7.107 6.657 1.00 44.32 O ATOM 1290 CB HIS A 89 5.484 8.958 3.694 1.00 34.40 C ATOM 1291 CG HIS A 89 4.017 9.077 3.934 1.00 24.12 C ATOM 1292 ND1 HIS A 89 3.462 10.243 4.389 1.00 14.31 N ATOM 1293 CD2 HIS A 89 3.070 8.135 3.856 1.00 21.21 C ATOM 1294 CE1 HIS A 89 2.185 9.962 4.591 1.00 10.22 C ATOM 1295 NE2 HIS A 89 1.911 8.691 4.288 1.00 74.40 N ATOM 0 H HIS A 89 8.020 8.489 3.844 1.00 31.30 H new ATOM 0 HA HIS A 89 5.979 9.269 5.736 1.00 44.14 H new ATOM 0 HB2 HIS A 89 5.866 9.909 3.323 1.00 34.40 H new ATOM 0 HB3 HIS A 89 5.662 8.217 2.915 1.00 34.40 H new ATOM 0 HD1 HIS A 89 3.932 11.136 4.540 1.00 14.31 H new ATOM 0 HD2 HIS A 89 3.204 7.120 3.513 1.00 21.21 H new ATOM 0 HE1 HIS A 89 1.456 10.671 4.955 1.00 10.22 H new ATOM 1303 N ALA A 90 5.996 6.122 4.768 1.00 14.23 N ATOM 1304 CA ALA A 90 5.459 4.859 5.243 1.00 74.34 C ATOM 1305 C ALA A 90 6.389 3.688 5.029 1.00 70.33 C ATOM 1306 O ALA A 90 7.278 3.709 4.159 1.00 60.13 O ATOM 1307 CB ALA A 90 4.103 4.577 4.605 1.00 40.31 C ATOM 0 H ALA A 90 6.474 6.094 3.867 1.00 14.23 H new ATOM 0 HA ALA A 90 5.342 4.969 6.321 1.00 74.34 H new ATOM 0 HB1 ALA A 90 3.718 3.626 4.974 1.00 40.31 H new ATOM 0 HB2 ALA A 90 3.407 5.375 4.863 1.00 40.31 H new ATOM 0 HB3 ALA A 90 4.214 4.528 3.522 1.00 40.31 H new ATOM 1313 N GLU A 91 6.182 2.678 5.839 1.00 22.32 N ATOM 1314 CA GLU A 91 6.875 1.427 5.754 1.00 53.14 C ATOM 1315 C GLU A 91 5.843 0.320 5.701 1.00 43.11 C ATOM 1316 O GLU A 91 4.947 0.250 6.553 1.00 42.32 O ATOM 1317 CB GLU A 91 7.737 1.189 6.996 1.00 63.41 C ATOM 1318 CG GLU A 91 8.879 2.157 7.208 1.00 40.34 C ATOM 1319 CD GLU A 91 9.621 1.845 8.481 1.00 71.11 C ATOM 1320 OE1 GLU A 91 10.312 0.803 8.541 1.00 13.35 O ATOM 1321 OE2 GLU A 91 9.523 2.614 9.445 1.00 62.22 O ATOM 0 H GLU A 91 5.503 2.711 6.599 1.00 22.32 H new ATOM 0 HA GLU A 91 7.512 1.441 4.870 1.00 53.14 H new ATOM 0 HB2 GLU A 91 7.091 1.223 7.873 1.00 63.41 H new ATOM 0 HB3 GLU A 91 8.147 0.181 6.941 1.00 63.41 H new ATOM 0 HG2 GLU A 91 9.564 2.108 6.362 1.00 40.34 H new ATOM 0 HG3 GLU A 91 8.494 3.176 7.247 1.00 40.34 H new ATOM 1328 N PHE A 92 5.952 -0.528 4.736 1.00 32.15 N ATOM 1329 CA PHE A 92 5.087 -1.674 4.666 1.00 41.32 C ATOM 1330 C PHE A 92 5.940 -2.857 4.991 1.00 24.22 C ATOM 1331 O PHE A 92 6.876 -3.190 4.239 1.00 74.44 O ATOM 1332 CB PHE A 92 4.443 -1.818 3.276 1.00 25.12 C ATOM 1333 CG PHE A 92 3.618 -0.628 2.858 1.00 34.11 C ATOM 1334 CD1 PHE A 92 4.212 0.476 2.258 1.00 75.23 C ATOM 1335 CD2 PHE A 92 2.254 -0.613 3.071 1.00 30.21 C ATOM 1336 CE1 PHE A 92 3.456 1.567 1.885 1.00 14.50 C ATOM 1337 CE2 PHE A 92 1.493 0.476 2.698 1.00 1.54 C ATOM 1338 CZ PHE A 92 2.095 1.568 2.105 1.00 0.31 C ATOM 0 H PHE A 92 6.631 -0.456 3.978 1.00 32.15 H new ATOM 0 HA PHE A 92 4.258 -1.577 5.367 1.00 41.32 H new ATOM 0 HB2 PHE A 92 5.228 -1.980 2.538 1.00 25.12 H new ATOM 0 HB3 PHE A 92 3.811 -2.706 3.270 1.00 25.12 H new ATOM 0 HD1 PHE A 92 5.278 0.479 2.082 1.00 75.23 H new ATOM 0 HD2 PHE A 92 1.777 -1.464 3.535 1.00 30.21 H new ATOM 0 HE1 PHE A 92 3.929 2.420 1.421 1.00 14.50 H new ATOM 0 HE2 PHE A 92 0.427 0.474 2.870 1.00 1.54 H new ATOM 0 HZ PHE A 92 1.501 2.422 1.814 1.00 0.31 H new ATOM 1348 N ARG A 93 5.675 -3.465 6.104 1.00 61.31 N ATOM 1349 CA ARG A 93 6.521 -4.519 6.574 1.00 13.54 C ATOM 1350 C ARG A 93 5.788 -5.819 6.648 1.00 3.44 C ATOM 1351 O ARG A 93 4.600 -5.875 6.982 1.00 71.21 O ATOM 1352 CB ARG A 93 7.050 -4.215 7.983 1.00 52.43 C ATOM 1353 CG ARG A 93 7.888 -2.959 8.133 1.00 43.51 C ATOM 1354 CD ARG A 93 8.310 -2.796 9.585 1.00 35.42 C ATOM 1355 NE ARG A 93 9.134 -1.610 9.817 1.00 2.41 N ATOM 1356 CZ ARG A 93 9.730 -1.306 10.981 1.00 52.42 C ATOM 1357 NH1 ARG A 93 9.622 -2.135 12.035 1.00 14.22 N ATOM 1358 NH2 ARG A 93 10.412 -0.177 11.076 1.00 34.42 N ATOM 0 H ARG A 93 4.880 -3.251 6.705 1.00 61.31 H new ATOM 0 HA ARG A 93 7.343 -4.591 5.862 1.00 13.54 H new ATOM 0 HB2 ARG A 93 6.198 -4.140 8.659 1.00 52.43 H new ATOM 0 HB3 ARG A 93 7.646 -5.065 8.315 1.00 52.43 H new ATOM 0 HG2 ARG A 93 8.768 -3.019 7.493 1.00 43.51 H new ATOM 0 HG3 ARG A 93 7.317 -2.088 7.810 1.00 43.51 H new ATOM 0 HD2 ARG A 93 7.420 -2.740 10.211 1.00 35.42 H new ATOM 0 HD3 ARG A 93 8.864 -3.682 9.897 1.00 35.42 H new ATOM 0 HE ARG A 93 9.266 -0.966 9.037 1.00 2.41 H new ATOM 0 HH11 ARG A 93 9.086 -2.999 11.952 1.00 14.22 H new ATOM 0 HH12 ARG A 93 10.077 -1.900 12.917 1.00 14.22 H new ATOM 0 HH21 ARG A 93 10.479 0.447 10.272 1.00 34.42 H new ATOM 0 HH22 ARG A 93 10.871 0.069 11.953 1.00 34.42 H new ATOM 1372 N ILE A 94 6.482 -6.848 6.355 1.00 42.53 N ATOM 1373 CA ILE A 94 6.007 -8.143 6.634 1.00 21.32 C ATOM 1374 C ILE A 94 6.989 -8.686 7.639 1.00 62.30 C ATOM 1375 O ILE A 94 8.194 -8.733 7.387 1.00 44.44 O ATOM 1376 CB ILE A 94 5.793 -9.051 5.339 1.00 44.15 C ATOM 1377 CG1 ILE A 94 7.061 -9.282 4.490 1.00 64.55 C ATOM 1378 CG2 ILE A 94 4.682 -8.493 4.463 1.00 74.11 C ATOM 1379 CD1 ILE A 94 7.915 -10.457 4.939 1.00 63.33 C ATOM 0 H ILE A 94 7.400 -6.816 5.913 1.00 42.53 H new ATOM 0 HA ILE A 94 4.995 -8.132 7.039 1.00 21.32 H new ATOM 0 HB ILE A 94 5.513 -10.029 5.730 1.00 44.15 H new ATOM 0 HG12 ILE A 94 6.765 -9.440 3.453 1.00 64.55 H new ATOM 0 HG13 ILE A 94 7.669 -8.377 4.514 1.00 64.55 H new ATOM 0 HG21 ILE A 94 4.555 -9.129 3.587 1.00 74.11 H new ATOM 0 HG22 ILE A 94 3.751 -8.466 5.029 1.00 74.11 H new ATOM 0 HG23 ILE A 94 4.942 -7.484 4.144 1.00 74.11 H new ATOM 0 HD11 ILE A 94 8.784 -10.545 4.287 1.00 63.33 H new ATOM 0 HD12 ILE A 94 8.246 -10.295 5.965 1.00 63.33 H new ATOM 0 HD13 ILE A 94 7.328 -11.374 4.887 1.00 63.33 H new ATOM 1391 N ASN A 95 6.520 -8.955 8.810 1.00 40.34 N ATOM 1392 CA ASN A 95 7.397 -9.322 9.866 1.00 41.41 C ATOM 1393 C ASN A 95 7.209 -10.773 10.127 1.00 52.42 C ATOM 1394 O ASN A 95 6.108 -11.295 9.944 1.00 3.43 O ATOM 1395 CB ASN A 95 7.101 -8.443 11.111 1.00 62.21 C ATOM 1396 CG ASN A 95 8.124 -8.514 12.237 1.00 72.42 C ATOM 1397 OD1 ASN A 95 8.779 -9.524 12.462 1.00 15.53 O ATOM 1398 ND2 ASN A 95 8.266 -7.431 12.946 1.00 42.14 N ATOM 0 H ASN A 95 5.531 -8.927 9.059 1.00 40.34 H new ATOM 0 HA ASN A 95 8.441 -9.152 9.604 1.00 41.41 H new ATOM 0 HB2 ASN A 95 7.018 -7.406 10.787 1.00 62.21 H new ATOM 0 HB3 ASN A 95 6.129 -8.731 11.511 1.00 62.21 H new ATOM 0 HD21 ASN A 95 8.938 -7.408 13.713 1.00 42.14 H new ATOM 0 HD22 ASN A 95 7.706 -6.605 12.734 1.00 42.14 H new ATOM 1405 N GLU A 96 8.281 -11.442 10.477 1.00 12.32 N ATOM 1406 CA GLU A 96 8.264 -12.860 10.794 1.00 53.53 C ATOM 1407 C GLU A 96 7.232 -13.169 11.892 1.00 53.33 C ATOM 1408 O GLU A 96 6.694 -14.273 11.960 1.00 1.22 O ATOM 1409 CB GLU A 96 9.673 -13.324 11.176 1.00 25.01 C ATOM 1410 CG GLU A 96 10.310 -12.511 12.288 1.00 64.01 C ATOM 1411 CD GLU A 96 11.721 -12.924 12.564 1.00 43.34 C ATOM 1412 OE1 GLU A 96 11.933 -13.872 13.342 1.00 74.12 O ATOM 1413 OE2 GLU A 96 12.658 -12.282 12.028 1.00 31.14 O ATOM 0 H GLU A 96 9.205 -11.016 10.552 1.00 12.32 H new ATOM 0 HA GLU A 96 7.955 -13.419 9.911 1.00 53.53 H new ATOM 0 HB2 GLU A 96 9.630 -14.369 11.483 1.00 25.01 H new ATOM 0 HB3 GLU A 96 10.312 -13.277 10.294 1.00 25.01 H new ATOM 0 HG2 GLU A 96 10.290 -11.455 12.019 1.00 64.01 H new ATOM 0 HG3 GLU A 96 9.719 -12.619 13.197 1.00 64.01 H new ATOM 1420 N GLY A 97 6.954 -12.177 12.727 1.00 74.41 N ATOM 1421 CA GLY A 97 5.916 -12.310 13.701 1.00 43.24 C ATOM 1422 C GLY A 97 4.544 -12.255 13.041 1.00 62.40 C ATOM 1423 O GLY A 97 3.815 -13.259 13.029 1.00 3.12 O ATOM 0 H GLY A 97 7.439 -11.280 12.738 1.00 74.41 H new ATOM 0 HA2 GLY A 97 6.030 -13.254 14.234 1.00 43.24 H new ATOM 0 HA3 GLY A 97 6.001 -11.514 14.440 1.00 43.24 H new ATOM 1427 N GLU A 98 4.236 -11.105 12.433 1.00 31.42 N ATOM 1428 CA GLU A 98 2.967 -10.821 11.768 1.00 11.03 C ATOM 1429 C GLU A 98 3.236 -9.683 10.817 1.00 42.01 C ATOM 1430 O GLU A 98 4.276 -9.068 10.913 1.00 1.45 O ATOM 1431 CB GLU A 98 1.870 -10.398 12.759 1.00 21.22 C ATOM 1432 CG GLU A 98 1.331 -11.506 13.651 1.00 2.34 C ATOM 1433 CD GLU A 98 0.246 -11.034 14.581 1.00 34.23 C ATOM 1434 OE1 GLU A 98 0.555 -10.608 15.703 1.00 1.23 O ATOM 1435 OE2 GLU A 98 -0.946 -11.100 14.220 1.00 73.23 O ATOM 0 H GLU A 98 4.888 -10.322 12.391 1.00 31.42 H new ATOM 0 HA GLU A 98 2.608 -11.719 11.264 1.00 11.03 H new ATOM 0 HB2 GLU A 98 2.264 -9.604 13.393 1.00 21.22 H new ATOM 0 HB3 GLU A 98 1.040 -9.973 12.195 1.00 21.22 H new ATOM 0 HG2 GLU A 98 0.943 -12.311 13.027 1.00 2.34 H new ATOM 0 HG3 GLU A 98 2.149 -11.923 14.238 1.00 2.34 H new ATOM 1442 N PHE A 99 2.342 -9.374 9.932 1.00 52.53 N ATOM 1443 CA PHE A 99 2.619 -8.320 8.980 1.00 31.14 C ATOM 1444 C PHE A 99 2.122 -6.980 9.539 1.00 20.33 C ATOM 1445 O PHE A 99 1.015 -6.900 10.078 1.00 31.32 O ATOM 1446 CB PHE A 99 1.987 -8.634 7.614 1.00 1.12 C ATOM 1447 CG PHE A 99 2.242 -10.042 7.108 1.00 34.55 C ATOM 1448 CD1 PHE A 99 3.498 -10.627 7.203 1.00 61.30 C ATOM 1449 CD2 PHE A 99 1.216 -10.776 6.536 1.00 40.03 C ATOM 1450 CE1 PHE A 99 3.722 -11.909 6.737 1.00 41.05 C ATOM 1451 CE2 PHE A 99 1.436 -12.058 6.069 1.00 10.33 C ATOM 1452 CZ PHE A 99 2.690 -12.624 6.172 1.00 74.53 C ATOM 0 H PHE A 99 1.429 -9.820 9.840 1.00 52.53 H new ATOM 0 HA PHE A 99 3.696 -8.251 8.825 1.00 31.14 H new ATOM 0 HB2 PHE A 99 0.911 -8.476 7.681 1.00 1.12 H new ATOM 0 HB3 PHE A 99 2.368 -7.924 6.880 1.00 1.12 H new ATOM 0 HD1 PHE A 99 4.311 -10.072 7.647 1.00 61.30 H new ATOM 0 HD2 PHE A 99 0.231 -10.341 6.454 1.00 40.03 H new ATOM 0 HE1 PHE A 99 4.705 -12.349 6.816 1.00 41.05 H new ATOM 0 HE2 PHE A 99 0.626 -12.617 5.623 1.00 10.33 H new ATOM 0 HZ PHE A 99 2.862 -13.627 5.810 1.00 74.53 H new ATOM 1462 N GLU A 100 2.936 -5.943 9.428 1.00 32.43 N ATOM 1463 CA GLU A 100 2.618 -4.636 9.998 1.00 32.23 C ATOM 1464 C GLU A 100 2.831 -3.503 9.036 1.00 32.53 C ATOM 1465 O GLU A 100 3.831 -3.439 8.322 1.00 62.25 O ATOM 1466 CB GLU A 100 3.381 -4.355 11.283 1.00 10.52 C ATOM 1467 CG GLU A 100 2.886 -5.131 12.466 1.00 72.04 C ATOM 1468 CD GLU A 100 3.635 -4.784 13.719 1.00 51.00 C ATOM 1469 OE1 GLU A 100 4.769 -5.273 13.902 1.00 11.03 O ATOM 1470 OE2 GLU A 100 3.102 -4.022 14.554 1.00 65.24 O ATOM 0 H GLU A 100 3.833 -5.979 8.943 1.00 32.43 H new ATOM 0 HA GLU A 100 1.554 -4.691 10.228 1.00 32.23 H new ATOM 0 HB2 GLU A 100 4.435 -4.584 11.126 1.00 10.52 H new ATOM 0 HB3 GLU A 100 3.317 -3.290 11.507 1.00 10.52 H new ATOM 0 HG2 GLU A 100 1.824 -4.932 12.611 1.00 72.04 H new ATOM 0 HG3 GLU A 100 2.986 -6.198 12.267 1.00 72.04 H new ATOM 1477 N VAL A 101 1.896 -2.617 9.019 1.00 63.24 N ATOM 1478 CA VAL A 101 1.992 -1.432 8.199 1.00 52.11 C ATOM 1479 C VAL A 101 2.162 -0.233 9.119 1.00 1.05 C ATOM 1480 O VAL A 101 1.319 0.008 9.992 1.00 62.24 O ATOM 1481 CB VAL A 101 0.748 -1.241 7.301 1.00 22.13 C ATOM 1482 CG1 VAL A 101 0.869 0.032 6.472 1.00 30.12 C ATOM 1483 CG2 VAL A 101 0.540 -2.449 6.393 1.00 65.15 C ATOM 0 H VAL A 101 1.039 -2.682 9.568 1.00 63.24 H new ATOM 0 HA VAL A 101 2.848 -1.535 7.532 1.00 52.11 H new ATOM 0 HB VAL A 101 -0.122 -1.148 7.951 1.00 22.13 H new ATOM 0 HG11 VAL A 101 -0.018 0.146 5.848 1.00 30.12 H new ATOM 0 HG12 VAL A 101 0.958 0.892 7.136 1.00 30.12 H new ATOM 0 HG13 VAL A 101 1.753 -0.029 5.838 1.00 30.12 H new ATOM 0 HG21 VAL A 101 -0.341 -2.290 5.772 1.00 65.15 H new ATOM 0 HG22 VAL A 101 1.415 -2.580 5.756 1.00 65.15 H new ATOM 0 HG23 VAL A 101 0.398 -3.342 7.002 1.00 65.15 H new ATOM 1493 N VAL A 102 3.260 0.471 8.963 1.00 0.34 N ATOM 1494 CA VAL A 102 3.580 1.597 9.820 1.00 12.44 C ATOM 1495 C VAL A 102 3.685 2.874 8.988 1.00 70.54 C ATOM 1496 O VAL A 102 4.545 2.968 8.103 1.00 13.15 O ATOM 1497 CB VAL A 102 4.936 1.374 10.561 1.00 61.40 C ATOM 1498 CG1 VAL A 102 5.202 2.489 11.565 1.00 10.51 C ATOM 1499 CG2 VAL A 102 4.989 0.007 11.245 1.00 35.23 C ATOM 0 H VAL A 102 3.956 0.283 8.242 1.00 0.34 H new ATOM 0 HA VAL A 102 2.781 1.690 10.556 1.00 12.44 H new ATOM 0 HB VAL A 102 5.723 1.397 9.807 1.00 61.40 H new ATOM 0 HG11 VAL A 102 6.153 2.308 12.066 1.00 10.51 H new ATOM 0 HG12 VAL A 102 5.243 3.446 11.044 1.00 10.51 H new ATOM 0 HG13 VAL A 102 4.401 2.512 12.304 1.00 10.51 H new ATOM 0 HG21 VAL A 102 5.948 -0.110 11.750 1.00 35.23 H new ATOM 0 HG22 VAL A 102 4.183 -0.066 11.975 1.00 35.23 H new ATOM 0 HG23 VAL A 102 4.874 -0.778 10.498 1.00 35.23 H new ATOM 1509 N ASP A 103 2.821 3.832 9.234 1.00 53.22 N ATOM 1510 CA ASP A 103 2.902 5.086 8.564 1.00 65.34 C ATOM 1511 C ASP A 103 3.475 6.094 9.546 1.00 24.22 C ATOM 1512 O ASP A 103 2.831 6.466 10.544 1.00 12.23 O ATOM 1513 CB ASP A 103 1.524 5.514 8.095 1.00 45.41 C ATOM 1514 CG ASP A 103 1.547 6.773 7.267 1.00 54.44 C ATOM 1515 OD1 ASP A 103 1.668 7.859 7.837 1.00 3.12 O ATOM 1516 OD2 ASP A 103 1.376 6.692 6.052 1.00 25.14 O ATOM 0 H ASP A 103 2.053 3.754 9.900 1.00 53.22 H new ATOM 0 HA ASP A 103 3.542 5.015 7.685 1.00 65.34 H new ATOM 0 HB2 ASP A 103 1.080 4.709 7.510 1.00 45.41 H new ATOM 0 HB3 ASP A 103 0.883 5.668 8.963 1.00 45.41 H new ATOM 1521 N VAL A 104 4.693 6.498 9.311 1.00 21.42 N ATOM 1522 CA VAL A 104 5.366 7.423 10.200 1.00 24.31 C ATOM 1523 C VAL A 104 5.155 8.860 9.752 1.00 4.41 C ATOM 1524 O VAL A 104 5.426 9.812 10.501 1.00 44.35 O ATOM 1525 CB VAL A 104 6.876 7.099 10.413 1.00 41.23 C ATOM 1526 CG1 VAL A 104 7.029 5.781 11.153 1.00 5.31 C ATOM 1527 CG2 VAL A 104 7.630 7.035 9.097 1.00 32.44 C ATOM 0 H VAL A 104 5.248 6.203 8.508 1.00 21.42 H new ATOM 0 HA VAL A 104 4.903 7.297 11.179 1.00 24.31 H new ATOM 0 HB VAL A 104 7.303 7.907 11.007 1.00 41.23 H new ATOM 0 HG11 VAL A 104 8.088 5.565 11.296 1.00 5.31 H new ATOM 0 HG12 VAL A 104 6.538 5.850 12.124 1.00 5.31 H new ATOM 0 HG13 VAL A 104 6.571 4.981 10.571 1.00 5.31 H new ATOM 0 HG21 VAL A 104 8.678 6.807 9.289 1.00 32.44 H new ATOM 0 HG22 VAL A 104 7.199 6.256 8.468 1.00 32.44 H new ATOM 0 HG23 VAL A 104 7.555 7.996 8.588 1.00 32.44 H new ATOM 1537 N GLY A 105 4.590 9.006 8.564 1.00 12.10 N ATOM 1538 CA GLY A 105 4.240 10.296 8.019 1.00 71.54 C ATOM 1539 C GLY A 105 2.814 10.633 8.381 1.00 20.42 C ATOM 1540 O GLY A 105 2.138 11.434 7.713 1.00 31.34 O ATOM 0 H GLY A 105 4.362 8.223 7.951 1.00 12.10 H new ATOM 0 HA2 GLY A 105 4.914 11.060 8.407 1.00 71.54 H new ATOM 0 HA3 GLY A 105 4.358 10.288 6.935 1.00 71.54 H new ATOM 1544 N SER A 106 2.385 10.068 9.499 1.00 34.02 N ATOM 1545 CA SER A 106 1.050 10.184 10.040 1.00 74.34 C ATOM 1546 C SER A 106 0.730 11.588 10.569 1.00 33.04 C ATOM 1547 O SER A 106 -0.316 11.821 11.173 1.00 54.30 O ATOM 1548 CB SER A 106 0.866 9.094 11.086 1.00 71.20 C ATOM 1549 OG SER A 106 2.122 8.806 11.724 1.00 70.11 O ATOM 0 H SER A 106 2.993 9.489 10.078 1.00 34.02 H new ATOM 0 HA SER A 106 0.326 10.039 9.238 1.00 74.34 H new ATOM 0 HB2 SER A 106 0.136 9.412 11.830 1.00 71.20 H new ATOM 0 HB3 SER A 106 0.472 8.192 10.618 1.00 71.20 H new ATOM 0 HG SER A 106 2.459 7.942 11.408 1.00 70.11 H new ATOM 1555 N LEU A 107 1.625 12.523 10.268 1.00 12.12 N ATOM 1556 CA LEU A 107 1.456 13.933 10.537 1.00 61.51 C ATOM 1557 C LEU A 107 0.330 14.416 9.609 1.00 72.14 C ATOM 1558 O LEU A 107 -0.398 15.349 9.912 1.00 14.33 O ATOM 1559 CB LEU A 107 2.813 14.648 10.234 1.00 4.32 C ATOM 1560 CG LEU A 107 3.019 16.124 10.684 1.00 52.44 C ATOM 1561 CD1 LEU A 107 4.482 16.499 10.524 1.00 23.53 C ATOM 1562 CD2 LEU A 107 2.174 17.103 9.876 1.00 71.22 C ATOM 0 H LEU A 107 2.513 12.306 9.816 1.00 12.12 H new ATOM 0 HA LEU A 107 1.191 14.148 11.572 1.00 61.51 H new ATOM 0 HB2 LEU A 107 3.604 14.054 10.691 1.00 4.32 H new ATOM 0 HB3 LEU A 107 2.968 14.611 9.156 1.00 4.32 H new ATOM 0 HG LEU A 107 2.707 16.191 11.726 1.00 52.44 H new ATOM 0 HD11 LEU A 107 4.629 17.532 10.838 1.00 23.53 H new ATOM 0 HD12 LEU A 107 5.096 15.841 11.140 1.00 23.53 H new ATOM 0 HD13 LEU A 107 4.773 16.393 9.479 1.00 23.53 H new ATOM 0 HD21 LEU A 107 2.355 18.118 10.230 1.00 71.22 H new ATOM 0 HD22 LEU A 107 2.443 17.033 8.822 1.00 71.22 H new ATOM 0 HD23 LEU A 107 1.119 16.859 9.998 1.00 71.22 H new ATOM 1574 N ASN A 108 0.157 13.688 8.504 1.00 3.22 N ATOM 1575 CA ASN A 108 -0.901 13.965 7.535 1.00 20.14 C ATOM 1576 C ASN A 108 -2.243 13.442 8.039 1.00 53.42 C ATOM 1577 O ASN A 108 -3.265 13.611 7.375 1.00 3.33 O ATOM 1578 CB ASN A 108 -0.604 13.321 6.160 1.00 11.14 C ATOM 1579 CG ASN A 108 0.622 13.878 5.458 1.00 62.14 C ATOM 1580 OD1 ASN A 108 0.538 14.874 4.734 1.00 31.32 O ATOM 1581 ND2 ASN A 108 1.748 13.237 5.628 1.00 21.42 N ATOM 0 H ASN A 108 0.746 12.892 8.258 1.00 3.22 H new ATOM 0 HA ASN A 108 -0.943 15.048 7.416 1.00 20.14 H new ATOM 0 HB2 ASN A 108 -0.473 12.247 6.296 1.00 11.14 H new ATOM 0 HB3 ASN A 108 -1.471 13.457 5.514 1.00 11.14 H new ATOM 0 HD21 ASN A 108 2.593 13.557 5.155 1.00 21.42 H new ATOM 0 HD22 ASN A 108 1.782 12.417 6.234 1.00 21.42 H new ATOM 1588 N GLY A 109 -2.229 12.812 9.207 1.00 53.31 N ATOM 1589 CA GLY A 109 -3.425 12.241 9.768 1.00 14.34 C ATOM 1590 C GLY A 109 -3.758 10.949 9.087 1.00 4.12 C ATOM 1591 O GLY A 109 -4.847 10.796 8.539 1.00 71.33 O ATOM 0 H GLY A 109 -1.393 12.689 9.779 1.00 53.31 H new ATOM 0 HA2 GLY A 109 -3.288 12.071 10.836 1.00 14.34 H new ATOM 0 HA3 GLY A 109 -4.254 12.940 9.660 1.00 14.34 H new ATOM 1595 N THR A 110 -2.825 10.030 9.100 1.00 11.42 N ATOM 1596 CA THR A 110 -3.000 8.781 8.422 1.00 32.45 C ATOM 1597 C THR A 110 -3.981 7.888 9.149 1.00 3.42 C ATOM 1598 O THR A 110 -3.822 7.582 10.344 1.00 11.44 O ATOM 1599 CB THR A 110 -1.655 8.051 8.231 1.00 53.35 C ATOM 1600 OG1 THR A 110 -0.716 8.993 7.683 1.00 22.42 O ATOM 1601 CG2 THR A 110 -1.853 6.905 7.242 1.00 20.54 C ATOM 0 H THR A 110 -1.930 10.130 9.579 1.00 11.42 H new ATOM 0 HA THR A 110 -3.410 9.008 7.438 1.00 32.45 H new ATOM 0 HB THR A 110 -1.289 7.656 9.179 1.00 53.35 H new ATOM 0 HG1 THR A 110 0.196 8.721 7.919 1.00 22.42 H new ATOM 0 HG21 THR A 110 -0.908 6.381 7.099 1.00 20.54 H new ATOM 0 HG22 THR A 110 -2.597 6.211 7.633 1.00 20.54 H new ATOM 0 HG23 THR A 110 -2.195 7.304 6.287 1.00 20.54 H new ATOM 1609 N TYR A 111 -5.018 7.524 8.453 1.00 3.15 N ATOM 1610 CA TYR A 111 -5.963 6.612 8.982 1.00 42.10 C ATOM 1611 C TYR A 111 -5.665 5.281 8.344 1.00 61.11 C ATOM 1612 O TYR A 111 -5.488 5.204 7.131 1.00 0.21 O ATOM 1613 CB TYR A 111 -7.399 7.049 8.636 1.00 72.34 C ATOM 1614 CG TYR A 111 -7.721 8.491 8.999 1.00 43.04 C ATOM 1615 CD1 TYR A 111 -7.685 8.924 10.314 1.00 25.43 C ATOM 1616 CD2 TYR A 111 -8.040 9.423 8.019 1.00 72.12 C ATOM 1617 CE1 TYR A 111 -7.961 10.239 10.647 1.00 13.33 C ATOM 1618 CE2 TYR A 111 -8.316 10.740 8.348 1.00 70.42 C ATOM 1619 CZ TYR A 111 -8.271 11.139 9.659 1.00 4.50 C ATOM 1620 OH TYR A 111 -8.546 12.453 9.989 1.00 11.14 O ATOM 0 H TYR A 111 -5.223 7.854 7.510 1.00 3.15 H new ATOM 0 HA TYR A 111 -5.892 6.565 10.069 1.00 42.10 H new ATOM 0 HB2 TYR A 111 -7.560 6.911 7.567 1.00 72.34 H new ATOM 0 HB3 TYR A 111 -8.100 6.392 9.151 1.00 72.34 H new ATOM 0 HD1 TYR A 111 -7.437 8.221 11.096 1.00 25.43 H new ATOM 0 HD2 TYR A 111 -8.073 9.116 6.984 1.00 72.12 H new ATOM 0 HE1 TYR A 111 -7.932 10.555 11.679 1.00 13.33 H new ATOM 0 HE2 TYR A 111 -8.566 11.451 7.574 1.00 70.42 H new ATOM 0 HH TYR A 111 -8.745 12.960 9.174 1.00 11.14 H new ATOM 1630 N VAL A 112 -5.617 4.258 9.126 1.00 51.42 N ATOM 1631 CA VAL A 112 -5.346 2.934 8.643 1.00 74.12 C ATOM 1632 C VAL A 112 -6.488 2.091 9.121 1.00 61.22 C ATOM 1633 O VAL A 112 -6.856 2.175 10.288 1.00 21.40 O ATOM 1634 CB VAL A 112 -4.003 2.368 9.190 1.00 25.04 C ATOM 1635 CG1 VAL A 112 -3.677 1.042 8.532 1.00 33.10 C ATOM 1636 CG2 VAL A 112 -2.854 3.356 8.989 1.00 71.12 C ATOM 0 H VAL A 112 -5.766 4.311 10.134 1.00 51.42 H new ATOM 0 HA VAL A 112 -5.251 2.938 7.557 1.00 74.12 H new ATOM 0 HB VAL A 112 -4.125 2.210 10.262 1.00 25.04 H new ATOM 0 HG11 VAL A 112 -2.735 0.662 8.927 1.00 33.10 H new ATOM 0 HG12 VAL A 112 -4.473 0.327 8.741 1.00 33.10 H new ATOM 0 HG13 VAL A 112 -3.589 1.182 7.455 1.00 33.10 H new ATOM 0 HG21 VAL A 112 -1.932 2.927 9.383 1.00 71.12 H new ATOM 0 HG22 VAL A 112 -2.733 3.562 7.925 1.00 71.12 H new ATOM 0 HG23 VAL A 112 -3.076 4.284 9.515 1.00 71.12 H new ATOM 1646 N ASN A 113 -7.096 1.357 8.215 1.00 54.12 N ATOM 1647 CA ASN A 113 -8.315 0.576 8.478 1.00 10.41 C ATOM 1648 C ASN A 113 -9.443 1.567 8.840 1.00 61.42 C ATOM 1649 O ASN A 113 -10.393 1.237 9.536 1.00 63.43 O ATOM 1650 CB ASN A 113 -8.083 -0.425 9.637 1.00 73.32 C ATOM 1651 CG ASN A 113 -9.041 -1.596 9.614 1.00 64.14 C ATOM 1652 OD1 ASN A 113 -10.151 -1.539 10.152 1.00 55.32 O ATOM 1653 ND2 ASN A 113 -8.603 -2.678 9.044 1.00 15.40 N ATOM 0 H ASN A 113 -6.763 1.276 7.255 1.00 54.12 H new ATOM 0 HA ASN A 113 -8.587 -0.002 7.595 1.00 10.41 H new ATOM 0 HB2 ASN A 113 -7.061 -0.799 9.586 1.00 73.32 H new ATOM 0 HB3 ASN A 113 -8.183 0.100 10.587 1.00 73.32 H new ATOM 0 HD21 ASN A 113 -9.182 -3.518 9.031 1.00 15.40 H new ATOM 0 HD22 ASN A 113 -7.680 -2.688 8.609 1.00 15.40 H new ATOM 1660 N ARG A 114 -9.309 2.803 8.310 1.00 42.22 N ATOM 1661 CA ARG A 114 -10.212 3.958 8.596 1.00 70.13 C ATOM 1662 C ARG A 114 -10.089 4.447 10.046 1.00 44.13 C ATOM 1663 O ARG A 114 -10.841 5.306 10.485 1.00 71.15 O ATOM 1664 CB ARG A 114 -11.695 3.685 8.245 1.00 73.51 C ATOM 1665 CG ARG A 114 -11.987 3.535 6.763 1.00 50.22 C ATOM 1666 CD ARG A 114 -13.471 3.286 6.512 1.00 1.05 C ATOM 1667 NE ARG A 114 -13.785 3.173 5.077 1.00 52.33 N ATOM 1668 CZ ARG A 114 -14.994 2.922 4.564 1.00 24.01 C ATOM 1669 NH1 ARG A 114 -15.997 2.585 5.356 1.00 70.54 N ATOM 1670 NH2 ARG A 114 -15.179 2.957 3.251 1.00 53.11 N ATOM 0 H ARG A 114 -8.560 3.038 7.659 1.00 42.22 H new ATOM 0 HA ARG A 114 -9.868 4.752 7.933 1.00 70.13 H new ATOM 0 HB2 ARG A 114 -12.012 2.776 8.756 1.00 73.51 H new ATOM 0 HB3 ARG A 114 -12.302 4.500 8.639 1.00 73.51 H new ATOM 0 HG2 ARG A 114 -11.673 4.436 6.236 1.00 50.22 H new ATOM 0 HG3 ARG A 114 -11.404 2.708 6.357 1.00 50.22 H new ATOM 0 HD2 ARG A 114 -13.775 2.371 7.021 1.00 1.05 H new ATOM 0 HD3 ARG A 114 -14.052 4.100 6.946 1.00 1.05 H new ATOM 0 HE ARG A 114 -13.015 3.297 4.419 1.00 52.33 H new ATOM 0 HH11 ARG A 114 -15.851 2.516 6.363 1.00 70.54 H new ATOM 0 HH12 ARG A 114 -16.918 2.394 4.960 1.00 70.54 H new ATOM 0 HH21 ARG A 114 -14.399 3.176 2.632 1.00 53.11 H new ATOM 0 HH22 ARG A 114 -16.102 2.765 2.861 1.00 53.11 H new ATOM 1684 N GLU A 115 -9.115 3.939 10.750 1.00 2.35 N ATOM 1685 CA GLU A 115 -8.883 4.278 12.132 1.00 75.12 C ATOM 1686 C GLU A 115 -7.578 5.078 12.223 1.00 71.01 C ATOM 1687 O GLU A 115 -6.579 4.655 11.658 1.00 71.14 O ATOM 1688 CB GLU A 115 -8.753 2.956 12.925 1.00 1.43 C ATOM 1689 CG GLU A 115 -8.499 3.093 14.420 1.00 3.15 C ATOM 1690 CD GLU A 115 -9.654 3.697 15.176 1.00 74.30 C ATOM 1691 OE1 GLU A 115 -9.735 4.926 15.267 1.00 32.03 O ATOM 1692 OE2 GLU A 115 -10.470 2.950 15.738 1.00 2.21 O ATOM 0 H GLU A 115 -8.447 3.266 10.375 1.00 2.35 H new ATOM 0 HA GLU A 115 -9.698 4.876 12.539 1.00 75.12 H new ATOM 0 HB2 GLU A 115 -9.668 2.380 12.784 1.00 1.43 H new ATOM 0 HB3 GLU A 115 -7.940 2.374 12.491 1.00 1.43 H new ATOM 0 HG2 GLU A 115 -8.280 2.109 14.834 1.00 3.15 H new ATOM 0 HG3 GLU A 115 -7.613 3.709 14.574 1.00 3.15 H new ATOM 1699 N PRO A 116 -7.581 6.282 12.839 1.00 1.43 N ATOM 1700 CA PRO A 116 -6.343 7.029 13.091 1.00 25.42 C ATOM 1701 C PRO A 116 -5.363 6.140 13.838 1.00 53.45 C ATOM 1702 O PRO A 116 -5.626 5.724 14.987 1.00 5.11 O ATOM 1703 CB PRO A 116 -6.780 8.188 13.988 1.00 63.25 C ATOM 1704 CG PRO A 116 -8.245 8.343 13.759 1.00 74.42 C ATOM 1705 CD PRO A 116 -8.771 7.005 13.302 1.00 64.01 C ATOM 0 HA PRO A 116 -5.855 7.368 12.177 1.00 25.42 H new ATOM 0 HB2 PRO A 116 -6.568 7.974 15.036 1.00 63.25 H new ATOM 0 HB3 PRO A 116 -6.245 9.103 13.734 1.00 63.25 H new ATOM 0 HG2 PRO A 116 -8.746 8.661 14.674 1.00 74.42 H new ATOM 0 HG3 PRO A 116 -8.438 9.109 13.008 1.00 74.42 H new ATOM 0 HD2 PRO A 116 -9.267 6.474 14.115 1.00 64.01 H new ATOM 0 HD3 PRO A 116 -9.503 7.118 12.502 1.00 64.01 H new ATOM 1713 N ARG A 117 -4.280 5.798 13.190 1.00 42.33 N ATOM 1714 CA ARG A 117 -3.365 4.856 13.743 1.00 61.44 C ATOM 1715 C ARG A 117 -2.029 5.023 13.054 1.00 1.24 C ATOM 1716 O ARG A 117 -1.989 5.320 11.869 1.00 21.23 O ATOM 1717 CB ARG A 117 -3.945 3.453 13.502 1.00 74.32 C ATOM 1718 CG ARG A 117 -3.299 2.331 14.272 1.00 41.22 C ATOM 1719 CD ARG A 117 -3.334 2.574 15.775 1.00 22.14 C ATOM 1720 NE ARG A 117 -4.672 2.931 16.271 1.00 32.41 N ATOM 1721 CZ ARG A 117 -5.483 2.135 16.992 1.00 61.23 C ATOM 1722 NH1 ARG A 117 -5.179 0.860 17.198 1.00 71.24 N ATOM 1723 NH2 ARG A 117 -6.601 2.634 17.496 1.00 4.05 N ATOM 0 H ARG A 117 -4.016 6.164 12.275 1.00 42.33 H new ATOM 0 HA ARG A 117 -3.219 5.007 14.813 1.00 61.44 H new ATOM 0 HB2 ARG A 117 -5.006 3.473 13.749 1.00 74.32 H new ATOM 0 HB3 ARG A 117 -3.869 3.228 12.438 1.00 74.32 H new ATOM 0 HG2 ARG A 117 -3.809 1.395 14.044 1.00 41.22 H new ATOM 0 HG3 ARG A 117 -2.265 2.217 13.947 1.00 41.22 H new ATOM 0 HD2 ARG A 117 -2.989 1.677 16.290 1.00 22.14 H new ATOM 0 HD3 ARG A 117 -2.636 3.373 16.024 1.00 22.14 H new ATOM 0 HE ARG A 117 -5.016 3.865 16.049 1.00 32.41 H new ATOM 0 HH11 ARG A 117 -4.321 0.471 16.808 1.00 71.24 H new ATOM 0 HH12 ARG A 117 -5.804 0.269 17.747 1.00 71.24 H new ATOM 0 HH21 ARG A 117 -6.840 3.613 17.336 1.00 4.05 H new ATOM 0 HH22 ARG A 117 -7.223 2.040 18.044 1.00 4.05 H new ATOM 1737 N ASN A 118 -0.947 4.869 13.790 1.00 50.13 N ATOM 1738 CA ASN A 118 0.379 5.033 13.208 1.00 43.55 C ATOM 1739 C ASN A 118 0.843 3.714 12.633 1.00 33.10 C ATOM 1740 O ASN A 118 1.406 3.662 11.555 1.00 74.13 O ATOM 1741 CB ASN A 118 1.404 5.546 14.240 1.00 62.32 C ATOM 1742 CG ASN A 118 0.972 6.821 14.946 1.00 31.02 C ATOM 1743 OD1 ASN A 118 0.334 6.769 16.006 1.00 10.11 O ATOM 1744 ND2 ASN A 118 1.294 7.959 14.387 1.00 43.42 N ATOM 0 H ASN A 118 -0.953 4.633 14.782 1.00 50.13 H new ATOM 0 HA ASN A 118 0.308 5.781 12.419 1.00 43.55 H new ATOM 0 HB2 ASN A 118 1.577 4.769 14.985 1.00 62.32 H new ATOM 0 HB3 ASN A 118 2.355 5.723 13.738 1.00 62.32 H new ATOM 0 HD21 ASN A 118 1.019 8.838 14.825 1.00 43.42 H new ATOM 0 HD22 ASN A 118 1.820 7.967 13.513 1.00 43.42 H new ATOM 1751 N ALA A 119 0.591 2.645 13.353 1.00 4.04 N ATOM 1752 CA ALA A 119 0.933 1.322 12.891 1.00 22.53 C ATOM 1753 C ALA A 119 -0.252 0.427 13.099 1.00 1.44 C ATOM 1754 O ALA A 119 -0.895 0.493 14.144 1.00 31.43 O ATOM 1755 CB ALA A 119 2.138 0.786 13.651 1.00 23.31 C ATOM 0 H ALA A 119 0.146 2.669 14.270 1.00 4.04 H new ATOM 0 HA ALA A 119 1.193 1.357 11.833 1.00 22.53 H new ATOM 0 HB1 ALA A 119 2.382 -0.213 13.289 1.00 23.31 H new ATOM 0 HB2 ALA A 119 2.991 1.447 13.494 1.00 23.31 H new ATOM 0 HB3 ALA A 119 1.906 0.740 14.715 1.00 23.31 H new ATOM 1761 N GLN A 120 -0.521 -0.420 12.162 1.00 25.31 N ATOM 1762 CA GLN A 120 -1.675 -1.276 12.231 1.00 70.30 C ATOM 1763 C GLN A 120 -1.236 -2.662 11.783 1.00 73.42 C ATOM 1764 O GLN A 120 -0.303 -2.791 10.967 1.00 53.02 O ATOM 1765 CB GLN A 120 -2.758 -0.707 11.288 1.00 31.14 C ATOM 1766 CG GLN A 120 -4.232 -0.876 11.720 1.00 70.33 C ATOM 1767 CD GLN A 120 -4.695 -2.303 11.843 1.00 10.12 C ATOM 1768 OE1 GLN A 120 -4.596 -2.908 12.923 1.00 20.11 O ATOM 1769 NE2 GLN A 120 -5.226 -2.853 10.786 1.00 44.23 N ATOM 0 H GLN A 120 0.048 -0.544 11.324 1.00 25.31 H new ATOM 0 HA GLN A 120 -2.087 -1.331 13.239 1.00 70.30 H new ATOM 0 HB2 GLN A 120 -2.565 0.358 11.156 1.00 31.14 H new ATOM 0 HB3 GLN A 120 -2.636 -1.177 10.312 1.00 31.14 H new ATOM 0 HG2 GLN A 120 -4.374 -0.379 12.680 1.00 70.33 H new ATOM 0 HG3 GLN A 120 -4.868 -0.363 10.999 1.00 70.33 H new ATOM 0 HE21 GLN A 120 -5.291 -2.326 9.915 1.00 44.23 H new ATOM 0 HE22 GLN A 120 -5.576 -3.810 10.830 1.00 44.23 H new ATOM 1778 N VAL A 121 -1.859 -3.675 12.325 1.00 60.30 N ATOM 1779 CA VAL A 121 -1.537 -5.035 11.982 1.00 1.05 C ATOM 1780 C VAL A 121 -2.308 -5.412 10.726 1.00 12.12 C ATOM 1781 O VAL A 121 -3.482 -5.082 10.601 1.00 42.14 O ATOM 1782 CB VAL A 121 -1.812 -6.032 13.164 1.00 74.21 C ATOM 1783 CG1 VAL A 121 -3.276 -6.033 13.596 1.00 1.25 C ATOM 1784 CG2 VAL A 121 -1.339 -7.443 12.817 1.00 12.14 C ATOM 0 H VAL A 121 -2.603 -3.581 13.016 1.00 60.30 H new ATOM 0 HA VAL A 121 -0.467 -5.109 11.787 1.00 1.05 H new ATOM 0 HB VAL A 121 -1.232 -5.678 14.016 1.00 74.21 H new ATOM 0 HG11 VAL A 121 -3.413 -6.739 14.415 1.00 1.25 H new ATOM 0 HG12 VAL A 121 -3.558 -5.033 13.927 1.00 1.25 H new ATOM 0 HG13 VAL A 121 -3.903 -6.328 12.755 1.00 1.25 H new ATOM 0 HG21 VAL A 121 -1.542 -8.111 13.654 1.00 12.14 H new ATOM 0 HG22 VAL A 121 -1.869 -7.797 11.933 1.00 12.14 H new ATOM 0 HG23 VAL A 121 -0.268 -7.429 12.616 1.00 12.14 H new ATOM 1794 N MET A 122 -1.623 -6.036 9.796 1.00 4.23 N ATOM 1795 CA MET A 122 -2.176 -6.385 8.495 1.00 64.14 C ATOM 1796 C MET A 122 -3.502 -7.100 8.599 1.00 72.03 C ATOM 1797 O MET A 122 -3.631 -8.109 9.302 1.00 4.51 O ATOM 1798 CB MET A 122 -1.164 -7.239 7.717 1.00 4.51 C ATOM 1799 CG MET A 122 -1.586 -7.693 6.315 1.00 30.40 C ATOM 1800 SD MET A 122 -2.764 -9.068 6.273 1.00 3.31 S ATOM 1801 CE MET A 122 -3.069 -9.190 4.518 1.00 40.15 C ATOM 0 H MET A 122 -0.652 -6.322 9.917 1.00 4.23 H new ATOM 0 HA MET A 122 -2.365 -5.455 7.958 1.00 64.14 H new ATOM 0 HB2 MET A 122 -0.237 -6.672 7.627 1.00 4.51 H new ATOM 0 HB3 MET A 122 -0.939 -8.126 8.309 1.00 4.51 H new ATOM 0 HG2 MET A 122 -2.025 -6.843 5.792 1.00 30.40 H new ATOM 0 HG3 MET A 122 -0.694 -7.983 5.760 1.00 30.40 H new ATOM 0 HE1 MET A 122 -3.978 -9.767 4.346 1.00 40.15 H new ATOM 0 HE2 MET A 122 -3.189 -8.191 4.099 1.00 40.15 H new ATOM 0 HE3 MET A 122 -2.227 -9.687 4.036 1.00 40.15 H new ATOM 1811 N GLN A 123 -4.484 -6.547 7.939 1.00 23.40 N ATOM 1812 CA GLN A 123 -5.762 -7.163 7.819 1.00 1.23 C ATOM 1813 C GLN A 123 -6.162 -7.171 6.371 1.00 40.04 C ATOM 1814 O GLN A 123 -5.734 -6.315 5.587 1.00 13.10 O ATOM 1815 CB GLN A 123 -6.844 -6.473 8.665 1.00 50.42 C ATOM 1816 CG GLN A 123 -6.626 -6.566 10.165 1.00 21.12 C ATOM 1817 CD GLN A 123 -7.834 -6.117 10.947 1.00 11.25 C ATOM 1818 OE1 GLN A 123 -7.984 -4.943 11.294 1.00 61.22 O ATOM 1819 NE2 GLN A 123 -8.718 -7.036 11.218 1.00 72.22 N ATOM 0 H GLN A 123 -4.410 -5.646 7.467 1.00 23.40 H new ATOM 0 HA GLN A 123 -5.678 -8.180 8.201 1.00 1.23 H new ATOM 0 HB2 GLN A 123 -6.892 -5.421 8.382 1.00 50.42 H new ATOM 0 HB3 GLN A 123 -7.812 -6.913 8.423 1.00 50.42 H new ATOM 0 HG2 GLN A 123 -6.385 -7.595 10.432 1.00 21.12 H new ATOM 0 HG3 GLN A 123 -5.768 -5.955 10.444 1.00 21.12 H new ATOM 0 HE21 GLN A 123 -8.563 -7.998 10.916 1.00 72.22 H new ATOM 0 HE22 GLN A 123 -9.565 -6.793 11.732 1.00 72.22 H new ATOM 1828 N THR A 124 -6.932 -8.132 6.011 1.00 71.53 N ATOM 1829 CA THR A 124 -7.440 -8.258 4.691 1.00 62.41 C ATOM 1830 C THR A 124 -8.612 -7.297 4.498 1.00 52.51 C ATOM 1831 O THR A 124 -9.641 -7.409 5.172 1.00 43.02 O ATOM 1832 CB THR A 124 -7.887 -9.717 4.480 1.00 21.11 C ATOM 1833 OG1 THR A 124 -8.587 -10.171 5.662 1.00 0.22 O ATOM 1834 CG2 THR A 124 -6.689 -10.616 4.228 1.00 41.54 C ATOM 0 H THR A 124 -7.236 -8.874 6.642 1.00 71.53 H new ATOM 0 HA THR A 124 -6.672 -8.006 3.960 1.00 62.41 H new ATOM 0 HB THR A 124 -8.543 -9.763 3.611 1.00 21.11 H new ATOM 0 HG1 THR A 124 -9.197 -9.469 5.971 1.00 0.22 H new ATOM 0 HG21 THR A 124 -7.028 -11.642 4.082 1.00 41.54 H new ATOM 0 HG22 THR A 124 -6.161 -10.278 3.336 1.00 41.54 H new ATOM 0 HG23 THR A 124 -6.017 -10.575 5.085 1.00 41.54 H new ATOM 1842 N GLY A 125 -8.437 -6.336 3.622 1.00 1.42 N ATOM 1843 CA GLY A 125 -9.465 -5.358 3.395 1.00 15.51 C ATOM 1844 C GLY A 125 -9.214 -4.136 4.226 1.00 14.03 C ATOM 1845 O GLY A 125 -10.151 -3.480 4.698 1.00 73.24 O ATOM 0 H GLY A 125 -7.595 -6.214 3.059 1.00 1.42 H new ATOM 0 HA2 GLY A 125 -9.493 -5.088 2.339 1.00 15.51 H new ATOM 0 HA3 GLY A 125 -10.439 -5.780 3.642 1.00 15.51 H new ATOM 1849 N ASP A 126 -7.953 -3.836 4.421 1.00 72.33 N ATOM 1850 CA ASP A 126 -7.565 -2.688 5.206 1.00 24.05 C ATOM 1851 C ASP A 126 -7.420 -1.525 4.252 1.00 51.10 C ATOM 1852 O ASP A 126 -7.100 -1.730 3.080 1.00 64.10 O ATOM 1853 CB ASP A 126 -6.232 -2.946 5.917 1.00 13.10 C ATOM 1854 CG ASP A 126 -5.969 -1.962 7.037 1.00 10.41 C ATOM 1855 OD1 ASP A 126 -5.719 -0.779 6.764 1.00 52.31 O ATOM 1856 OD2 ASP A 126 -6.050 -2.378 8.217 1.00 51.45 O ATOM 0 H ASP A 126 -7.173 -4.374 4.044 1.00 72.33 H new ATOM 0 HA ASP A 126 -8.314 -2.480 5.970 1.00 24.05 H new ATOM 0 HB2 ASP A 126 -6.230 -3.959 6.320 1.00 13.10 H new ATOM 0 HB3 ASP A 126 -5.421 -2.890 5.191 1.00 13.10 H new ATOM 1861 N GLU A 127 -7.653 -0.343 4.713 1.00 33.24 N ATOM 1862 CA GLU A 127 -7.598 0.804 3.859 1.00 2.51 C ATOM 1863 C GLU A 127 -6.900 1.961 4.545 1.00 12.12 C ATOM 1864 O GLU A 127 -7.285 2.410 5.637 1.00 24.42 O ATOM 1865 CB GLU A 127 -8.987 1.170 3.343 1.00 11.21 C ATOM 1866 CG GLU A 127 -9.997 1.449 4.424 1.00 25.24 C ATOM 1867 CD GLU A 127 -11.384 1.554 3.886 1.00 22.33 C ATOM 1868 OE1 GLU A 127 -11.750 2.624 3.337 1.00 53.12 O ATOM 1869 OE2 GLU A 127 -12.152 0.571 4.018 1.00 12.05 O ATOM 0 H GLU A 127 -7.886 -0.141 5.685 1.00 33.24 H new ATOM 0 HA GLU A 127 -6.998 0.556 2.984 1.00 2.51 H new ATOM 0 HB2 GLU A 127 -8.904 2.049 2.704 1.00 11.21 H new ATOM 0 HB3 GLU A 127 -9.356 0.356 2.719 1.00 11.21 H new ATOM 0 HG2 GLU A 127 -9.958 0.655 5.169 1.00 25.24 H new ATOM 0 HG3 GLU A 127 -9.735 2.377 4.933 1.00 25.24 H new ATOM 1876 N ILE A 128 -5.884 2.417 3.904 1.00 22.34 N ATOM 1877 CA ILE A 128 -5.035 3.457 4.388 1.00 3.13 C ATOM 1878 C ILE A 128 -5.407 4.747 3.684 1.00 50.43 C ATOM 1879 O ILE A 128 -5.467 4.794 2.451 1.00 14.23 O ATOM 1880 CB ILE A 128 -3.556 3.119 4.061 1.00 70.42 C ATOM 1881 CG1 ILE A 128 -3.206 1.720 4.594 1.00 62.55 C ATOM 1882 CG2 ILE A 128 -2.617 4.172 4.654 1.00 1.25 C ATOM 1883 CD1 ILE A 128 -1.845 1.216 4.181 1.00 51.02 C ATOM 0 H ILE A 128 -5.606 2.063 2.989 1.00 22.34 H new ATOM 0 HA ILE A 128 -5.155 3.559 5.467 1.00 3.13 H new ATOM 0 HB ILE A 128 -3.428 3.124 2.979 1.00 70.42 H new ATOM 0 HG12 ILE A 128 -3.259 1.736 5.683 1.00 62.55 H new ATOM 0 HG13 ILE A 128 -3.961 1.014 4.249 1.00 62.55 H new ATOM 0 HG21 ILE A 128 -1.585 3.916 4.413 1.00 1.25 H new ATOM 0 HG22 ILE A 128 -2.856 5.150 4.235 1.00 1.25 H new ATOM 0 HG23 ILE A 128 -2.740 4.201 5.737 1.00 1.25 H new ATOM 0 HD11 ILE A 128 -1.682 0.223 4.601 1.00 51.02 H new ATOM 0 HD12 ILE A 128 -1.791 1.163 3.094 1.00 51.02 H new ATOM 0 HD13 ILE A 128 -1.078 1.897 4.550 1.00 51.02 H new ATOM 1895 N GLN A 129 -5.685 5.764 4.440 1.00 12.53 N ATOM 1896 CA GLN A 129 -6.004 7.034 3.871 1.00 33.11 C ATOM 1897 C GLN A 129 -5.003 8.058 4.339 1.00 51.04 C ATOM 1898 O GLN A 129 -4.940 8.397 5.530 1.00 63.31 O ATOM 1899 CB GLN A 129 -7.442 7.456 4.193 1.00 15.43 C ATOM 1900 CG GLN A 129 -7.857 8.768 3.527 1.00 12.40 C ATOM 1901 CD GLN A 129 -9.328 9.055 3.683 1.00 11.22 C ATOM 1902 OE1 GLN A 129 -10.137 8.645 2.854 1.00 15.34 O ATOM 1903 NE2 GLN A 129 -9.690 9.768 4.702 1.00 33.40 N ATOM 0 H GLN A 129 -5.697 5.737 5.460 1.00 12.53 H new ATOM 0 HA GLN A 129 -5.945 6.957 2.785 1.00 33.11 H new ATOM 0 HB2 GLN A 129 -8.123 6.666 3.877 1.00 15.43 H new ATOM 0 HB3 GLN A 129 -7.549 7.556 5.273 1.00 15.43 H new ATOM 0 HG2 GLN A 129 -7.283 9.588 3.958 1.00 12.40 H new ATOM 0 HG3 GLN A 129 -7.609 8.728 2.466 1.00 12.40 H new ATOM 0 HE21 GLN A 129 -8.992 10.092 5.371 1.00 33.40 H new ATOM 0 HE22 GLN A 129 -10.673 10.005 4.835 1.00 33.40 H new ATOM 1912 N ILE A 130 -4.220 8.530 3.412 1.00 1.45 N ATOM 1913 CA ILE A 130 -3.195 9.494 3.693 1.00 4.20 C ATOM 1914 C ILE A 130 -3.618 10.866 3.186 1.00 12.24 C ATOM 1915 O ILE A 130 -3.524 11.172 1.985 1.00 4.40 O ATOM 1916 CB ILE A 130 -1.806 9.070 3.090 1.00 43.33 C ATOM 1917 CG1 ILE A 130 -1.905 8.746 1.576 1.00 14.42 C ATOM 1918 CG2 ILE A 130 -1.250 7.878 3.849 1.00 55.52 C ATOM 1919 CD1 ILE A 130 -0.585 8.374 0.922 1.00 33.15 C ATOM 0 H ILE A 130 -4.275 8.254 2.432 1.00 1.45 H new ATOM 0 HA ILE A 130 -3.066 9.542 4.774 1.00 4.20 H new ATOM 0 HB ILE A 130 -1.127 9.916 3.198 1.00 43.33 H new ATOM 0 HG12 ILE A 130 -2.608 7.924 1.439 1.00 14.42 H new ATOM 0 HG13 ILE A 130 -2.321 9.611 1.059 1.00 14.42 H new ATOM 0 HG21 ILE A 130 -0.288 7.592 3.424 1.00 55.52 H new ATOM 0 HG22 ILE A 130 -1.118 8.144 4.898 1.00 55.52 H new ATOM 0 HG23 ILE A 130 -1.944 7.041 3.771 1.00 55.52 H new ATOM 0 HD11 ILE A 130 -0.749 8.164 -0.135 1.00 33.15 H new ATOM 0 HD12 ILE A 130 0.117 9.202 1.023 1.00 33.15 H new ATOM 0 HD13 ILE A 130 -0.175 7.489 1.408 1.00 33.15 H new ATOM 1931 N GLY A 131 -4.146 11.669 4.094 1.00 31.01 N ATOM 1932 CA GLY A 131 -4.571 13.023 3.778 1.00 50.20 C ATOM 1933 C GLY A 131 -5.801 13.085 2.877 1.00 31.13 C ATOM 1934 O GLY A 131 -6.909 13.403 3.320 1.00 62.23 O ATOM 0 H GLY A 131 -4.292 11.403 5.068 1.00 31.01 H new ATOM 0 HA2 GLY A 131 -4.784 13.553 4.706 1.00 50.20 H new ATOM 0 HA3 GLY A 131 -3.749 13.548 3.292 1.00 50.20 H new ATOM 1938 N LYS A 132 -5.608 12.754 1.631 1.00 21.11 N ATOM 1939 CA LYS A 132 -6.640 12.835 0.625 1.00 71.11 C ATOM 1940 C LYS A 132 -6.693 11.528 -0.192 1.00 32.24 C ATOM 1941 O LYS A 132 -7.645 11.272 -0.920 1.00 55.45 O ATOM 1942 CB LYS A 132 -6.305 14.024 -0.307 1.00 71.12 C ATOM 1943 CG LYS A 132 -7.366 14.364 -1.347 1.00 12.32 C ATOM 1944 CD LYS A 132 -6.884 15.422 -2.353 1.00 61.25 C ATOM 1945 CE LYS A 132 -6.510 16.751 -1.693 1.00 12.31 C ATOM 1946 NZ LYS A 132 -7.651 17.384 -0.995 1.00 43.43 N ATOM 0 H LYS A 132 -4.715 12.414 1.276 1.00 21.11 H new ATOM 0 HA LYS A 132 -7.612 12.981 1.096 1.00 71.11 H new ATOM 0 HB2 LYS A 132 -6.129 14.906 0.308 1.00 71.12 H new ATOM 0 HB3 LYS A 132 -5.371 13.805 -0.825 1.00 71.12 H new ATOM 0 HG2 LYS A 132 -7.648 13.458 -1.884 1.00 12.32 H new ATOM 0 HG3 LYS A 132 -8.261 14.727 -0.843 1.00 12.32 H new ATOM 0 HD2 LYS A 132 -6.019 15.035 -2.892 1.00 61.25 H new ATOM 0 HD3 LYS A 132 -7.667 15.597 -3.090 1.00 61.25 H new ATOM 0 HE2 LYS A 132 -5.702 16.583 -0.981 1.00 12.31 H new ATOM 0 HE3 LYS A 132 -6.130 17.434 -2.452 1.00 12.31 H new ATOM 0 HZ1 LYS A 132 -7.360 18.311 -0.625 1.00 43.43 H new ATOM 0 HZ2 LYS A 132 -8.440 17.509 -1.661 1.00 43.43 H new ATOM 0 HZ3 LYS A 132 -7.956 16.777 -0.208 1.00 43.43 H new ATOM 1960 N PHE A 133 -5.682 10.690 -0.049 1.00 20.45 N ATOM 1961 CA PHE A 133 -5.561 9.525 -0.924 1.00 30.24 C ATOM 1962 C PHE A 133 -5.877 8.236 -0.199 1.00 15.40 C ATOM 1963 O PHE A 133 -5.747 8.165 1.021 1.00 62.05 O ATOM 1964 CB PHE A 133 -4.174 9.497 -1.550 1.00 72.51 C ATOM 1965 CG PHE A 133 -3.821 10.817 -2.160 1.00 62.42 C ATOM 1966 CD1 PHE A 133 -4.670 11.418 -3.084 1.00 41.11 C ATOM 1967 CD2 PHE A 133 -2.673 11.477 -1.786 1.00 51.41 C ATOM 1968 CE1 PHE A 133 -4.369 12.647 -3.611 1.00 43.40 C ATOM 1969 CE2 PHE A 133 -2.366 12.702 -2.324 1.00 61.31 C ATOM 1970 CZ PHE A 133 -3.215 13.287 -3.229 1.00 0.21 C ATOM 0 H PHE A 133 -4.944 10.785 0.648 1.00 20.45 H new ATOM 0 HA PHE A 133 -6.301 9.613 -1.720 1.00 30.24 H new ATOM 0 HB2 PHE A 133 -3.436 9.237 -0.791 1.00 72.51 H new ATOM 0 HB3 PHE A 133 -4.134 8.720 -2.313 1.00 72.51 H new ATOM 0 HD1 PHE A 133 -5.574 10.912 -3.389 1.00 41.11 H new ATOM 0 HD2 PHE A 133 -2.008 11.028 -1.063 1.00 51.41 H new ATOM 0 HE1 PHE A 133 -5.036 13.110 -4.323 1.00 43.40 H new ATOM 0 HE2 PHE A 133 -1.455 13.206 -2.035 1.00 61.31 H new ATOM 0 HZ PHE A 133 -2.975 14.255 -3.643 1.00 0.21 H new ATOM 1980 N ARG A 134 -6.272 7.212 -0.950 1.00 31.44 N ATOM 1981 CA ARG A 134 -6.714 5.951 -0.372 1.00 62.43 C ATOM 1982 C ARG A 134 -6.038 4.759 -1.033 1.00 73.00 C ATOM 1983 O ARG A 134 -6.078 4.586 -2.271 1.00 44.21 O ATOM 1984 CB ARG A 134 -8.236 5.790 -0.461 1.00 55.03 C ATOM 1985 CG ARG A 134 -9.028 6.818 0.329 1.00 12.11 C ATOM 1986 CD ARG A 134 -10.522 6.572 0.215 1.00 32.12 C ATOM 1987 NE ARG A 134 -10.930 5.273 0.792 1.00 44.24 N ATOM 1988 CZ ARG A 134 -11.648 4.336 0.143 1.00 5.43 C ATOM 1989 NH1 ARG A 134 -11.914 4.482 -1.159 1.00 0.21 N ATOM 1990 NH2 ARG A 134 -12.071 3.249 0.786 1.00 21.41 N ATOM 0 H ARG A 134 -6.294 7.234 -1.970 1.00 31.44 H new ATOM 0 HA ARG A 134 -6.425 5.977 0.679 1.00 62.43 H new ATOM 0 HB2 ARG A 134 -8.534 5.848 -1.508 1.00 55.03 H new ATOM 0 HB3 ARG A 134 -8.504 4.794 -0.108 1.00 55.03 H new ATOM 0 HG2 ARG A 134 -8.731 6.782 1.377 1.00 12.11 H new ATOM 0 HG3 ARG A 134 -8.793 7.818 -0.035 1.00 12.11 H new ATOM 0 HD2 ARG A 134 -11.058 7.375 0.721 1.00 32.12 H new ATOM 0 HD3 ARG A 134 -10.813 6.607 -0.835 1.00 32.12 H new ATOM 0 HE ARG A 134 -10.647 5.072 1.751 1.00 44.24 H new ATOM 0 HH11 ARG A 134 -11.573 5.302 -1.660 1.00 0.21 H new ATOM 0 HH12 ARG A 134 -12.458 3.773 -1.651 1.00 0.21 H new ATOM 0 HH21 ARG A 134 -11.852 3.123 1.774 1.00 21.41 H new ATOM 0 HH22 ARG A 134 -12.614 2.542 0.290 1.00 21.41 H new ATOM 2004 N LEU A 135 -5.462 3.945 -0.211 1.00 52.22 N ATOM 2005 CA LEU A 135 -4.758 2.759 -0.602 1.00 12.12 C ATOM 2006 C LEU A 135 -5.417 1.573 0.101 1.00 11.41 C ATOM 2007 O LEU A 135 -5.733 1.667 1.276 1.00 52.21 O ATOM 2008 CB LEU A 135 -3.306 2.914 -0.133 1.00 11.22 C ATOM 2009 CG LEU A 135 -2.343 1.767 -0.405 1.00 23.04 C ATOM 2010 CD1 LEU A 135 -2.124 1.595 -1.891 1.00 72.13 C ATOM 2011 CD2 LEU A 135 -1.031 2.032 0.299 1.00 52.23 C ATOM 0 H LEU A 135 -5.467 4.092 0.798 1.00 52.22 H new ATOM 0 HA LEU A 135 -4.783 2.601 -1.680 1.00 12.12 H new ATOM 0 HB2 LEU A 135 -2.898 3.811 -0.599 1.00 11.22 H new ATOM 0 HB3 LEU A 135 -3.319 3.092 0.942 1.00 11.22 H new ATOM 0 HG LEU A 135 -2.774 0.842 -0.021 1.00 23.04 H new ATOM 0 HD11 LEU A 135 -1.433 0.770 -2.064 1.00 72.13 H new ATOM 0 HD12 LEU A 135 -3.076 1.379 -2.376 1.00 72.13 H new ATOM 0 HD13 LEU A 135 -1.706 2.512 -2.306 1.00 72.13 H new ATOM 0 HD21 LEU A 135 -0.341 1.211 0.104 1.00 52.23 H new ATOM 0 HD22 LEU A 135 -0.601 2.963 -0.071 1.00 52.23 H new ATOM 0 HD23 LEU A 135 -1.204 2.114 1.372 1.00 52.23 H new ATOM 2023 N VAL A 136 -5.654 0.494 -0.601 1.00 63.12 N ATOM 2024 CA VAL A 136 -6.284 -0.662 0.015 1.00 41.52 C ATOM 2025 C VAL A 136 -5.278 -1.806 0.088 1.00 35.51 C ATOM 2026 O VAL A 136 -4.498 -2.014 -0.840 1.00 60.45 O ATOM 2027 CB VAL A 136 -7.607 -1.091 -0.724 1.00 65.22 C ATOM 2028 CG1 VAL A 136 -7.350 -1.544 -2.153 1.00 55.32 C ATOM 2029 CG2 VAL A 136 -8.373 -2.158 0.055 1.00 44.42 C ATOM 0 H VAL A 136 -5.426 0.385 -1.589 1.00 63.12 H new ATOM 0 HA VAL A 136 -6.587 -0.390 1.026 1.00 41.52 H new ATOM 0 HB VAL A 136 -8.232 -0.199 -0.773 1.00 65.22 H new ATOM 0 HG11 VAL A 136 -8.293 -1.829 -2.619 1.00 55.32 H new ATOM 0 HG12 VAL A 136 -6.898 -0.728 -2.718 1.00 55.32 H new ATOM 0 HG13 VAL A 136 -6.675 -2.399 -2.148 1.00 55.32 H new ATOM 0 HG21 VAL A 136 -9.279 -2.426 -0.489 1.00 44.42 H new ATOM 0 HG22 VAL A 136 -7.746 -3.042 0.174 1.00 44.42 H new ATOM 0 HG23 VAL A 136 -8.641 -1.769 1.037 1.00 44.42 H new ATOM 2039 N PHE A 137 -5.267 -2.502 1.179 1.00 23.42 N ATOM 2040 CA PHE A 137 -4.330 -3.562 1.382 1.00 64.04 C ATOM 2041 C PHE A 137 -5.086 -4.892 1.504 1.00 64.44 C ATOM 2042 O PHE A 137 -6.059 -5.012 2.281 1.00 34.23 O ATOM 2043 CB PHE A 137 -3.509 -3.269 2.638 1.00 60.03 C ATOM 2044 CG PHE A 137 -2.273 -4.096 2.765 1.00 51.41 C ATOM 2045 CD1 PHE A 137 -2.320 -5.345 3.334 1.00 50.22 C ATOM 2046 CD2 PHE A 137 -1.057 -3.612 2.309 1.00 55.43 C ATOM 2047 CE1 PHE A 137 -1.190 -6.103 3.447 1.00 23.43 C ATOM 2048 CE2 PHE A 137 0.089 -4.368 2.419 1.00 31.22 C ATOM 2049 CZ PHE A 137 0.023 -5.617 2.991 1.00 30.41 C ATOM 0 H PHE A 137 -5.909 -2.352 1.957 1.00 23.42 H new ATOM 0 HA PHE A 137 -3.648 -3.636 0.535 1.00 64.04 H new ATOM 0 HB2 PHE A 137 -3.230 -2.215 2.639 1.00 60.03 H new ATOM 0 HB3 PHE A 137 -4.135 -3.434 3.515 1.00 60.03 H new ATOM 0 HD1 PHE A 137 -3.261 -5.732 3.696 1.00 50.22 H new ATOM 0 HD2 PHE A 137 -1.007 -2.630 1.862 1.00 55.43 H new ATOM 0 HE1 PHE A 137 -1.243 -7.085 3.894 1.00 23.43 H new ATOM 0 HE2 PHE A 137 1.032 -3.983 2.059 1.00 31.22 H new ATOM 0 HZ PHE A 137 0.916 -6.217 3.084 1.00 30.41 H new ATOM 2059 N LEU A 138 -4.655 -5.878 0.745 1.00 2.34 N ATOM 2060 CA LEU A 138 -5.309 -7.179 0.705 1.00 64.43 C ATOM 2061 C LEU A 138 -4.256 -8.272 0.755 1.00 61.50 C ATOM 2062 O LEU A 138 -3.058 -7.990 0.666 1.00 31.15 O ATOM 2063 CB LEU A 138 -6.104 -7.328 -0.605 1.00 10.22 C ATOM 2064 CG LEU A 138 -7.159 -6.259 -0.904 1.00 41.01 C ATOM 2065 CD1 LEU A 138 -7.695 -6.433 -2.307 1.00 31.11 C ATOM 2066 CD2 LEU A 138 -8.305 -6.321 0.086 1.00 13.00 C ATOM 0 H LEU A 138 -3.840 -5.805 0.136 1.00 2.34 H new ATOM 0 HA LEU A 138 -5.984 -7.262 1.557 1.00 64.43 H new ATOM 0 HB2 LEU A 138 -5.394 -7.344 -1.432 1.00 10.22 H new ATOM 0 HB3 LEU A 138 -6.600 -8.299 -0.592 1.00 10.22 H new ATOM 0 HG LEU A 138 -6.678 -5.285 -0.813 1.00 41.01 H new ATOM 0 HD11 LEU A 138 -8.444 -5.667 -2.508 1.00 31.11 H new ATOM 0 HD12 LEU A 138 -6.878 -6.338 -3.023 1.00 31.11 H new ATOM 0 HD13 LEU A 138 -8.149 -7.419 -2.403 1.00 31.11 H new ATOM 0 HD21 LEU A 138 -9.036 -5.549 -0.155 1.00 13.00 H new ATOM 0 HD22 LEU A 138 -8.780 -7.300 0.032 1.00 13.00 H new ATOM 0 HD23 LEU A 138 -7.924 -6.158 1.094 1.00 13.00 H new ATOM 2078 N ALA A 139 -4.687 -9.505 0.880 1.00 32.55 N ATOM 2079 CA ALA A 139 -3.766 -10.623 0.844 1.00 21.15 C ATOM 2080 C ALA A 139 -3.659 -11.081 -0.589 1.00 50.32 C ATOM 2081 O ALA A 139 -4.636 -10.993 -1.338 1.00 73.13 O ATOM 2082 CB ALA A 139 -4.228 -11.765 1.738 1.00 42.23 C ATOM 0 H ALA A 139 -5.666 -9.762 1.007 1.00 32.55 H new ATOM 0 HA ALA A 139 -2.794 -10.307 1.222 1.00 21.15 H new ATOM 0 HB1 ALA A 139 -3.510 -12.584 1.683 1.00 42.23 H new ATOM 0 HB2 ALA A 139 -4.300 -11.415 2.768 1.00 42.23 H new ATOM 0 HB3 ALA A 139 -5.205 -12.116 1.405 1.00 42.23 H new ATOM 2088 N GLY A 140 -2.511 -11.547 -0.981 1.00 71.41 N ATOM 2089 CA GLY A 140 -2.315 -11.934 -2.343 1.00 62.35 C ATOM 2090 C GLY A 140 -2.506 -13.412 -2.533 1.00 15.51 C ATOM 2091 O GLY A 140 -3.539 -13.958 -2.122 1.00 21.22 O ATOM 0 H GLY A 140 -1.698 -11.668 -0.377 1.00 71.41 H new ATOM 0 HA2 GLY A 140 -3.014 -11.392 -2.980 1.00 62.35 H new ATOM 0 HA3 GLY A 140 -1.311 -11.653 -2.660 1.00 62.35 H new ATOM 2095 N PRO A 141 -1.540 -14.098 -3.140 1.00 60.34 N ATOM 2096 CA PRO A 141 -1.633 -15.521 -3.367 1.00 64.12 C ATOM 2097 C PRO A 141 -1.494 -16.313 -2.080 1.00 3.02 C ATOM 2098 O PRO A 141 -0.548 -16.117 -1.306 1.00 23.24 O ATOM 2099 CB PRO A 141 -0.463 -15.842 -4.301 1.00 45.15 C ATOM 2100 CG PRO A 141 0.115 -14.527 -4.705 1.00 34.25 C ATOM 2101 CD PRO A 141 -0.277 -13.548 -3.646 1.00 23.44 C ATOM 0 HA PRO A 141 -2.604 -15.789 -3.784 1.00 64.12 H new ATOM 0 HB2 PRO A 141 0.282 -16.457 -3.796 1.00 45.15 H new ATOM 0 HB3 PRO A 141 -0.802 -16.403 -5.172 1.00 45.15 H new ATOM 0 HG2 PRO A 141 1.200 -14.590 -4.792 1.00 34.25 H new ATOM 0 HG3 PRO A 141 -0.266 -14.219 -5.679 1.00 34.25 H new ATOM 0 HD2 PRO A 141 0.476 -13.479 -2.861 1.00 23.44 H new ATOM 0 HD3 PRO A 141 -0.407 -12.545 -4.052 1.00 23.44 H new