USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 689 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 28 THR OG1 : rot 180:sc= 0.00567 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.215 USER MOD Set 2.1: A 12 SER OG : rot -127:sc= 0.0349 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= -0.132 USER MOD Set 2.3: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= 0.942 F(o=0.87,f=1.8) USER MOD Set 3.2: A 71 ASN :FLIP amide:sc= 0.831 F(o=0.17,f=1.8) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS : no HD1:sc=-0.000507 X(o=-0.00051,f=-0.22) USER MOD Single : A 2 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.084) USER MOD Single : A 3 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.013) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 5 HIS : no HD1:sc= -0.265 K(o=-0.27,f=-0.89) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl -161:sc= -0.0494 (180deg=-0.429) USER MOD Single : A -2 MET N :NH3+ -164:sc= -0.0122 (180deg=-0.267) USER MOD Single : A 11 THR OG1 : rot 56:sc= 1.28 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.28 X(o=-2.3,f=-2.3) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -82:sc= 0.555 USER MOD Single : A 30 THR OG1 : rot -28:sc= 1.21 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00932 USER MOD Single : A 32 ASN : amide:sc= -0.0734 K(o=-0.073,f=-0.65) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 36 THR OG1 : rot 160:sc= 2.12 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0578 F(o=-0.67,f=-0.058) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.356 K(o=-0.36,f=-1.9) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 137:sc= 0.86 (180deg=0.0817) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -14.613 -25.609 -5.283 1.00 54.25 N ATOM 2 CA MET A -2 -15.165 -24.545 -6.115 1.00 24.12 C ATOM 3 C MET A -2 -16.012 -23.588 -5.285 1.00 52.04 C ATOM 4 O MET A -2 -17.236 -23.704 -5.243 1.00 72.11 O ATOM 5 CB MET A -2 -16.006 -25.140 -7.246 1.00 25.32 C ATOM 6 CG MET A -2 -15.197 -25.960 -8.240 1.00 3.42 C ATOM 7 SD MET A -2 -16.229 -26.752 -9.488 1.00 45.21 S ATOM 8 CE MET A -2 -17.081 -27.975 -8.495 1.00 34.12 C ATOM 0 H1 MET A -2 -13.839 -26.081 -5.792 1.00 54.25 H new ATOM 0 H2 MET A -2 -14.249 -25.203 -4.397 1.00 54.25 H new ATOM 0 H3 MET A -2 -15.358 -26.302 -5.066 1.00 54.25 H new ATOM 0 HA MET A -2 -14.334 -23.985 -6.544 1.00 24.12 H new ATOM 0 HB2 MET A -2 -16.784 -25.770 -6.816 1.00 25.32 H new ATOM 0 HB3 MET A -2 -16.508 -24.332 -7.778 1.00 25.32 H new ATOM 0 HG2 MET A -2 -14.470 -25.314 -8.732 1.00 3.42 H new ATOM 0 HG3 MET A -2 -14.633 -26.723 -7.703 1.00 3.42 H new ATOM 0 HE1 MET A -2 -17.488 -28.751 -9.143 1.00 34.12 H new ATOM 0 HE2 MET A -2 -16.381 -28.422 -7.789 1.00 34.12 H new ATOM 0 HE3 MET A -2 -17.893 -27.497 -7.947 1.00 34.12 H new ATOM 18 N GLY A -1 -15.353 -22.642 -4.623 1.00 1.43 N ATOM 19 CA GLY A -1 -16.062 -21.679 -3.802 1.00 13.04 C ATOM 20 C GLY A -1 -15.189 -20.508 -3.394 1.00 33.14 C ATOM 21 O GLY A -1 -14.009 -20.682 -3.088 1.00 21.25 O ATOM 0 H GLY A -1 -14.340 -22.526 -4.641 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -16.929 -21.308 -4.349 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -16.438 -22.176 -2.908 1.00 13.04 H new ATOM 25 N HIS A 0 -15.768 -19.312 -3.393 1.00 34.31 N ATOM 26 CA HIS A 0 -15.034 -18.108 -3.021 1.00 13.52 C ATOM 27 C HIS A 0 -15.289 -17.745 -1.562 1.00 25.41 C ATOM 28 O HIS A 0 -16.351 -18.041 -1.013 1.00 53.23 O ATOM 29 CB HIS A 0 -15.433 -16.942 -3.926 1.00 25.24 C ATOM 30 CG HIS A 0 -15.145 -17.183 -5.376 1.00 1.03 C ATOM 31 ND1 HIS A 0 -13.986 -16.763 -5.993 1.00 45.34 N ATOM 32 CD2 HIS A 0 -15.875 -17.806 -6.331 1.00 43.03 C ATOM 33 CE1 HIS A 0 -14.014 -17.117 -7.266 1.00 10.13 C ATOM 34 NE2 HIS A 0 -15.150 -17.752 -7.497 1.00 75.12 N ATOM 0 H HIS A 0 -16.743 -19.151 -3.646 1.00 34.31 H new ATOM 0 HA HIS A 0 -13.970 -18.308 -3.146 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -16.498 -16.746 -3.803 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -14.904 -16.045 -3.603 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -16.846 -18.261 -6.201 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -13.240 -16.921 -7.994 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -15.441 -18.139 -8.395 1.00 75.12 H new ATOM 42 N HIS A 1 -14.306 -17.103 -0.936 1.00 21.22 N ATOM 43 CA HIS A 1 -14.424 -16.700 0.461 1.00 52.03 C ATOM 44 C HIS A 1 -13.344 -15.687 0.827 1.00 62.11 C ATOM 45 O HIS A 1 -12.448 -15.404 0.030 1.00 54.41 O ATOM 46 CB HIS A 1 -14.325 -17.921 1.376 1.00 31.50 C ATOM 47 CG HIS A 1 -13.089 -18.736 1.156 1.00 2.14 C ATOM 48 ND1 HIS A 1 -11.873 -18.429 1.729 1.00 14.01 N ATOM 49 CD2 HIS A 1 -12.885 -19.855 0.421 1.00 4.13 C ATOM 50 CE1 HIS A 1 -10.974 -19.323 1.355 1.00 32.44 C ATOM 51 NE2 HIS A 1 -11.563 -20.199 0.561 1.00 32.12 N ATOM 0 H HIS A 1 -13.420 -16.851 -1.374 1.00 21.22 H new ATOM 0 HA HIS A 1 -15.399 -16.231 0.597 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -14.352 -17.590 2.414 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -15.199 -18.553 1.220 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -13.625 -20.379 -0.166 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -9.935 -19.335 1.649 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -11.109 -21.001 0.123 1.00 32.12 H new ATOM 59 N HIS A 2 -13.434 -15.143 2.036 1.00 33.54 N ATOM 60 CA HIS A 2 -12.465 -14.161 2.507 1.00 24.03 C ATOM 61 C HIS A 2 -11.942 -14.535 3.892 1.00 63.52 C ATOM 62 O HIS A 2 -12.523 -15.375 4.580 1.00 4.20 O ATOM 63 CB HIS A 2 -13.095 -12.769 2.546 1.00 32.11 C ATOM 64 CG HIS A 2 -14.380 -12.713 3.313 1.00 2.22 C ATOM 65 ND1 HIS A 2 -15.552 -12.216 2.783 1.00 55.23 N ATOM 66 CD2 HIS A 2 -14.674 -13.099 4.577 1.00 45.43 C ATOM 67 CE1 HIS A 2 -16.510 -12.297 3.688 1.00 2.54 C ATOM 68 NE2 HIS A 2 -16.004 -12.830 4.786 1.00 72.04 N ATOM 0 H HIS A 2 -14.169 -15.366 2.708 1.00 33.54 H new ATOM 0 HA HIS A 2 -11.626 -14.152 1.811 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -12.386 -12.071 2.990 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -13.276 -12.433 1.525 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -13.990 -13.537 5.288 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -17.534 -11.981 3.554 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -16.518 -13.012 5.648 1.00 72.04 H new ATOM 76 N HIS A 3 -10.843 -13.905 4.294 1.00 13.21 N ATOM 77 CA HIS A 3 -10.242 -14.170 5.596 1.00 42.42 C ATOM 78 C HIS A 3 -9.738 -12.881 6.236 1.00 63.20 C ATOM 79 O HIS A 3 -9.490 -11.890 5.548 1.00 2.02 O ATOM 80 CB HIS A 3 -9.092 -15.168 5.456 1.00 1.22 C ATOM 81 CG HIS A 3 -9.545 -16.579 5.238 1.00 65.11 C ATOM 82 ND1 HIS A 3 -8.868 -17.470 4.432 1.00 71.31 N ATOM 83 CD2 HIS A 3 -10.614 -17.251 5.726 1.00 41.43 C ATOM 84 CE1 HIS A 3 -9.501 -18.629 4.433 1.00 65.21 C ATOM 85 NE2 HIS A 3 -10.564 -18.523 5.210 1.00 12.34 N ATOM 0 H HIS A 3 -10.350 -13.207 3.737 1.00 13.21 H new ATOM 0 HA HIS A 3 -11.009 -14.598 6.242 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -8.459 -14.866 4.622 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -8.476 -15.128 6.354 1.00 1.22 H new ATOM 0 HD2 HIS A 3 -11.366 -16.860 6.396 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -9.201 -19.513 3.891 1.00 65.21 H new ATOM 0 HE2 HIS A 3 -11.238 -19.265 5.397 1.00 12.34 H new ATOM 93 N HIS A 4 -9.589 -12.900 7.557 1.00 40.35 N ATOM 94 CA HIS A 4 -9.114 -11.731 8.290 1.00 22.10 C ATOM 95 C HIS A 4 -7.940 -12.095 9.192 1.00 74.02 C ATOM 96 O HIS A 4 -7.676 -13.273 9.439 1.00 44.32 O ATOM 97 CB HIS A 4 -10.248 -11.131 9.124 1.00 1.30 C ATOM 98 CG HIS A 4 -11.103 -10.165 8.365 1.00 5.31 C ATOM 99 ND1 HIS A 4 -12.346 -10.493 7.864 1.00 64.23 N ATOM 100 CD2 HIS A 4 -10.891 -8.872 8.025 1.00 51.54 C ATOM 101 CE1 HIS A 4 -12.860 -9.444 7.246 1.00 54.22 C ATOM 102 NE2 HIS A 4 -11.997 -8.447 7.329 1.00 4.14 N ATOM 0 H HIS A 4 -9.790 -13.711 8.142 1.00 40.35 H new ATOM 0 HA HIS A 4 -8.775 -10.991 7.565 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -10.875 -11.938 9.504 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -9.822 -10.624 9.990 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -10.016 -8.284 8.257 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -13.822 -9.408 6.756 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -12.130 -7.514 6.940 1.00 4.14 H new ATOM 110 N HIS A 5 -7.237 -11.079 9.681 1.00 60.24 N ATOM 111 CA HIS A 5 -6.090 -11.293 10.556 1.00 11.12 C ATOM 112 C HIS A 5 -6.164 -10.385 11.780 1.00 33.24 C ATOM 113 O HIS A 5 -6.008 -9.168 11.676 1.00 12.22 O ATOM 114 CB HIS A 5 -4.788 -11.037 9.796 1.00 22.12 C ATOM 115 CG HIS A 5 -4.762 -9.725 9.076 1.00 33.15 C ATOM 116 ND1 HIS A 5 -4.182 -8.589 9.601 1.00 43.31 N ATOM 117 CD2 HIS A 5 -5.247 -9.371 7.862 1.00 2.04 C ATOM 118 CE1 HIS A 5 -4.314 -7.593 8.744 1.00 73.02 C ATOM 119 NE2 HIS A 5 -4.955 -8.041 7.680 1.00 44.41 N ATOM 0 H HIS A 5 -7.441 -10.099 9.486 1.00 60.24 H new ATOM 0 HA HIS A 5 -6.109 -12.330 10.892 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -3.955 -11.073 10.497 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -4.634 -11.840 9.076 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -5.766 -10.014 7.167 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -3.958 -6.584 8.889 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -5.195 -7.489 6.856 1.00 44.41 H new ATOM 127 N THR A 6 -6.405 -10.986 12.942 1.00 44.42 N ATOM 128 CA THR A 6 -6.501 -10.233 14.186 1.00 11.22 C ATOM 129 C THR A 6 -5.505 -10.746 15.218 1.00 23.31 C ATOM 130 O THR A 6 -5.246 -11.948 15.304 1.00 44.55 O ATOM 131 CB THR A 6 -7.922 -10.307 14.779 1.00 11.30 C ATOM 132 OG1 THR A 6 -8.870 -9.785 13.842 1.00 25.35 O ATOM 133 CG2 THR A 6 -8.005 -9.528 16.083 1.00 51.53 C ATOM 0 H THR A 6 -6.537 -11.992 13.047 1.00 44.42 H new ATOM 0 HA THR A 6 -6.268 -9.195 13.946 1.00 11.22 H new ATOM 0 HB THR A 6 -8.154 -11.352 14.985 1.00 11.30 H new ATOM 0 HG1 THR A 6 -9.771 -9.837 14.225 1.00 25.35 H new ATOM 0 HG21 THR A 6 -9.017 -9.595 16.483 1.00 51.53 H new ATOM 0 HG22 THR A 6 -7.302 -9.947 16.803 1.00 51.53 H new ATOM 0 HG23 THR A 6 -7.756 -8.483 15.899 1.00 51.53 H new ATOM 141 N LYS A 7 -4.947 -9.830 16.004 1.00 74.22 N ATOM 142 CA LYS A 7 -3.980 -10.190 17.033 1.00 52.34 C ATOM 143 C LYS A 7 -4.637 -11.022 18.130 1.00 44.13 C ATOM 144 O LYS A 7 -5.165 -10.482 19.101 1.00 11.03 O ATOM 145 CB LYS A 7 -3.356 -8.930 17.639 1.00 74.23 C ATOM 146 CG LYS A 7 -1.992 -9.167 18.263 1.00 71.23 C ATOM 147 CD LYS A 7 -0.914 -9.322 17.204 1.00 12.54 C ATOM 148 CE LYS A 7 0.388 -9.832 17.804 1.00 45.02 C ATOM 149 NZ LYS A 7 1.571 -9.397 17.013 1.00 71.41 N1+ ATOM 0 H LYS A 7 -5.149 -8.832 15.947 1.00 74.22 H new ATOM 0 HA LYS A 7 -3.197 -10.788 16.567 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -3.264 -8.171 16.862 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -4.029 -8.530 18.398 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -1.741 -8.334 18.919 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -2.025 -10.063 18.883 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -1.256 -10.013 16.434 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -0.740 -8.362 16.717 1.00 12.54 H new ATOM 0 HE2 LYS A 7 0.483 -9.470 18.828 1.00 45.02 H new ATOM 0 HE3 LYS A 7 0.364 -10.921 17.852 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 2.438 -9.765 17.454 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 1.494 -9.764 16.043 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 1.609 -8.358 16.988 1.00 71.41 H new ATOM 163 N GLY A 8 -4.600 -12.341 17.968 1.00 4.54 N ATOM 164 CA GLY A 8 -5.193 -13.227 18.953 1.00 1.12 C ATOM 165 C GLY A 8 -6.701 -13.092 19.019 1.00 12.44 C ATOM 166 O GLY A 8 -7.245 -12.012 18.797 1.00 42.34 O ATOM 0 H GLY A 8 -4.170 -12.812 17.172 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -4.934 -14.258 18.713 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.769 -13.012 19.934 1.00 1.12 H new ATOM 170 N ASN A 9 -7.380 -14.194 19.323 1.00 51.20 N ATOM 171 CA ASN A 9 -8.834 -14.195 19.415 1.00 63.11 C ATOM 172 C ASN A 9 -9.319 -15.277 20.375 1.00 4.24 C ATOM 173 O ASN A 9 -9.063 -16.464 20.171 1.00 20.25 O ATOM 174 CB ASN A 9 -9.454 -14.410 18.032 1.00 62.31 C ATOM 175 CG ASN A 9 -10.898 -14.869 18.110 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.725 -14.100 18.808 1.00 73.41 O flip ATOM 177 ND2 ASN A 9 -11.262 -15.903 17.549 1.00 54.03 N flip ATOM 0 H ASN A 9 -6.945 -15.098 19.510 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.148 -13.225 19.800 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -9.401 -13.481 17.465 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -8.869 -15.150 17.486 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -10.590 -16.462 17.023 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -12.236 -16.201 17.610 1.00 54.03 H new ATOM 184 N VAL A 10 -10.020 -14.860 21.424 1.00 11.42 N ATOM 185 CA VAL A 10 -10.541 -15.792 22.416 1.00 24.54 C ATOM 186 C VAL A 10 -12.009 -16.110 22.153 1.00 65.31 C ATOM 187 O VAL A 10 -12.852 -15.213 22.107 1.00 73.33 O ATOM 188 CB VAL A 10 -10.397 -15.232 23.844 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.765 -16.291 24.872 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.981 -14.724 24.074 1.00 42.41 C ATOM 0 H VAL A 10 -10.240 -13.881 21.609 1.00 11.42 H new ATOM 0 HA VAL A 10 -9.953 -16.706 22.331 1.00 24.54 H new ATOM 0 HB VAL A 10 -11.084 -14.394 23.959 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.657 -15.878 25.875 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.797 -16.605 24.718 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.104 -17.151 24.761 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.895 -14.332 25.087 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.274 -15.543 23.941 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.758 -13.933 23.358 1.00 42.41 H new ATOM 200 N THR A 11 -12.309 -17.394 21.982 1.00 10.10 N ATOM 201 CA THR A 11 -13.676 -17.831 21.723 1.00 34.03 C ATOM 202 C THR A 11 -14.109 -18.899 22.721 1.00 20.04 C ATOM 203 O THR A 11 -13.323 -19.331 23.563 1.00 73.43 O ATOM 204 CB THR A 11 -13.827 -18.386 20.294 1.00 22.23 C ATOM 205 OG1 THR A 11 -12.551 -18.800 19.793 1.00 45.23 O ATOM 206 CG2 THR A 11 -14.428 -17.341 19.367 1.00 3.03 C ATOM 0 H THR A 11 -11.624 -18.149 22.018 1.00 10.10 H new ATOM 0 HA THR A 11 -14.315 -16.955 21.833 1.00 34.03 H new ATOM 0 HB THR A 11 -14.499 -19.244 20.330 1.00 22.23 H new ATOM 0 HG1 THR A 11 -12.151 -19.447 20.411 1.00 45.23 H new ATOM 0 HG21 THR A 11 -14.525 -17.757 18.364 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.412 -17.050 19.736 1.00 3.03 H new ATOM 0 HG23 THR A 11 -13.779 -16.466 19.336 1.00 3.03 H new ATOM 214 N SER A 12 -15.366 -19.321 22.619 1.00 72.20 N ATOM 215 CA SER A 12 -15.905 -20.338 23.514 1.00 63.13 C ATOM 216 C SER A 12 -15.856 -21.717 22.864 1.00 64.31 C ATOM 217 O SER A 12 -15.686 -21.838 21.651 1.00 41.10 O ATOM 218 CB SER A 12 -17.346 -19.995 23.901 1.00 31.13 C ATOM 219 OG SER A 12 -17.697 -20.591 25.138 1.00 24.24 O ATOM 0 H SER A 12 -16.029 -18.974 21.926 1.00 72.20 H new ATOM 0 HA SER A 12 -15.289 -20.358 24.413 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.460 -18.913 23.970 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.027 -20.338 23.122 1.00 31.13 H new ATOM 0 HG SER A 12 -18.525 -21.105 25.030 1.00 24.24 H new ATOM 225 N LYS A 13 -16.005 -22.754 23.680 1.00 44.22 N ATOM 226 CA LYS A 13 -15.979 -24.127 23.187 1.00 60.22 C ATOM 227 C LYS A 13 -17.385 -24.715 23.143 1.00 54.30 C ATOM 228 O LYS A 13 -17.606 -25.782 22.568 1.00 2.34 O ATOM 229 CB LYS A 13 -15.080 -24.992 24.073 1.00 51.22 C ATOM 230 CG LYS A 13 -14.770 -26.354 23.478 1.00 2.31 C ATOM 231 CD LYS A 13 -15.481 -27.467 24.232 1.00 13.33 C ATOM 232 CE LYS A 13 -15.807 -28.639 23.319 1.00 53.45 C ATOM 233 NZ LYS A 13 -16.590 -29.690 24.025 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.145 -22.671 24.687 1.00 44.22 H new ATOM 0 HA LYS A 13 -15.577 -24.116 22.174 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -14.145 -24.462 24.254 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -15.562 -25.129 25.041 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -15.072 -26.372 22.431 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -13.694 -26.526 23.502 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -14.853 -27.809 25.055 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.400 -27.080 24.672 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -16.372 -28.282 22.458 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -14.882 -29.070 22.937 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -16.792 -30.471 23.369 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -16.041 -30.049 24.832 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -17.485 -29.285 24.367 1.00 51.21 H new ATOM 247 N THR A 14 -18.336 -24.013 23.751 1.00 41.41 N ATOM 248 CA THR A 14 -19.721 -24.466 23.782 1.00 75.14 C ATOM 249 C THR A 14 -20.418 -24.192 22.453 1.00 53.42 C ATOM 250 O THR A 14 -20.909 -25.111 21.798 1.00 1.11 O ATOM 251 CB THR A 14 -20.511 -23.783 24.913 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.434 -22.360 24.774 1.00 34.11 O ATOM 253 CG2 THR A 14 -19.973 -24.195 26.275 1.00 0.42 C ATOM 0 H THR A 14 -18.172 -23.127 24.229 1.00 41.41 H new ATOM 0 HA THR A 14 -19.698 -25.541 23.963 1.00 75.14 H new ATOM 0 HB THR A 14 -21.552 -24.099 24.841 1.00 22.31 H new ATOM 0 HG1 THR A 14 -20.940 -21.933 25.496 1.00 34.11 H new ATOM 0 HG21 THR A 14 -20.547 -23.700 27.058 1.00 0.42 H new ATOM 0 HG22 THR A 14 -20.061 -25.275 26.389 1.00 0.42 H new ATOM 0 HG23 THR A 14 -18.925 -23.906 26.355 1.00 0.42 H new ATOM 261 N ASP A 15 -20.454 -22.923 22.061 1.00 13.30 N ATOM 262 CA ASP A 15 -21.090 -22.529 20.809 1.00 3.24 C ATOM 263 C ASP A 15 -20.075 -21.902 19.858 1.00 54.23 C ATOM 264 O ASP A 15 -20.244 -21.939 18.641 1.00 30.21 O ATOM 265 CB ASP A 15 -22.230 -21.545 21.078 1.00 34.54 C ATOM 266 CG ASP A 15 -23.526 -22.245 21.435 1.00 5.42 C ATOM 267 OD1 ASP A 15 -23.464 -23.378 21.959 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.603 -21.661 21.193 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.051 -22.151 22.591 1.00 13.30 H new ATOM 0 HA ASP A 15 -21.497 -23.425 20.340 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -21.945 -20.877 21.891 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -22.387 -20.925 20.196 1.00 34.54 H new ATOM 273 N GLY A 16 -19.019 -21.324 20.425 1.00 45.50 N ATOM 274 CA GLY A 16 -17.993 -20.696 19.614 1.00 13.14 C ATOM 275 C GLY A 16 -18.132 -19.187 19.569 1.00 50.04 C ATOM 276 O GLY A 16 -17.756 -18.552 18.584 1.00 53.34 O ATOM 0 H GLY A 16 -18.857 -21.280 21.431 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -17.011 -20.956 20.010 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -18.042 -21.093 18.600 1.00 13.14 H new ATOM 280 N GLN A 17 -18.676 -18.613 20.637 1.00 15.14 N ATOM 281 CA GLN A 17 -18.865 -17.169 20.715 1.00 71.43 C ATOM 282 C GLN A 17 -17.600 -16.479 21.214 1.00 32.32 C ATOM 283 O GLN A 17 -16.736 -17.093 21.840 1.00 12.20 O ATOM 284 CB GLN A 17 -20.040 -16.836 21.636 1.00 54.31 C ATOM 285 CG GLN A 17 -21.385 -16.830 20.928 1.00 63.40 C ATOM 286 CD GLN A 17 -21.448 -15.820 19.801 1.00 73.24 C ATOM 287 OE1 GLN A 17 -21.118 -16.128 18.655 1.00 3.00 O ATOM 288 NE2 GLN A 17 -21.875 -14.603 20.119 1.00 74.15 N ATOM 0 H GLN A 17 -18.994 -19.125 21.460 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.084 -16.803 19.712 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.070 -17.561 22.449 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -19.872 -15.858 22.087 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.586 -17.825 20.530 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.171 -16.611 21.651 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -22.139 -14.390 21.081 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -21.939 -13.881 19.401 1.00 74.15 H new ATOM 297 N PRO A 18 -17.487 -15.172 20.932 1.00 51.11 N ATOM 298 CA PRO A 18 -16.331 -14.371 21.345 1.00 61.23 C ATOM 299 C PRO A 18 -16.287 -14.150 22.852 1.00 5.35 C ATOM 300 O PRO A 18 -17.267 -13.707 23.453 1.00 41.13 O ATOM 301 CB PRO A 18 -16.542 -13.042 20.615 1.00 11.54 C ATOM 302 CG PRO A 18 -18.014 -12.962 20.393 1.00 0.34 C ATOM 303 CD PRO A 18 -18.479 -14.377 20.190 1.00 14.12 C ATOM 0 HA PRO A 18 -15.388 -14.861 21.103 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -16.185 -12.202 21.211 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.997 -13.018 19.671 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.513 -12.506 21.248 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -18.245 -12.347 19.523 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.486 -14.528 20.578 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.500 -14.645 19.134 1.00 14.12 H new ATOM 311 N ILE A 19 -15.146 -14.461 23.459 1.00 51.31 N ATOM 312 CA ILE A 19 -14.975 -14.294 24.896 1.00 72.32 C ATOM 313 C ILE A 19 -14.740 -12.831 25.256 1.00 61.13 C ATOM 314 O ILE A 19 -13.779 -12.215 24.795 1.00 31.30 O ATOM 315 CB ILE A 19 -13.799 -15.136 25.424 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.023 -16.618 25.114 1.00 63.22 C ATOM 317 CG2 ILE A 19 -13.626 -14.924 26.921 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.282 -17.181 25.735 1.00 75.31 C ATOM 0 H ILE A 19 -14.326 -14.830 22.977 1.00 51.31 H new ATOM 0 HA ILE A 19 -15.897 -14.637 25.365 1.00 72.32 H new ATOM 0 HB ILE A 19 -12.887 -14.813 24.922 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.069 -16.752 24.033 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.165 -17.189 25.470 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -12.791 -15.526 27.280 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.426 -13.871 27.119 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -14.537 -15.223 27.439 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.377 -18.235 25.474 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.230 -17.079 26.819 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.148 -16.635 25.360 1.00 75.31 H new ATOM 330 N ILE A 20 -15.624 -12.281 26.083 1.00 0.14 N ATOM 331 CA ILE A 20 -15.511 -10.891 26.506 1.00 33.25 C ATOM 332 C ILE A 20 -14.963 -10.792 27.926 1.00 4.43 C ATOM 333 O ILE A 20 -15.305 -11.597 28.792 1.00 31.01 O ATOM 334 CB ILE A 20 -16.870 -10.171 26.441 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.545 -10.430 25.093 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.690 -8.677 26.671 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.895 -9.761 24.954 1.00 42.20 C ATOM 0 H ILE A 20 -16.426 -12.777 26.473 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.819 -10.406 25.817 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.511 -10.566 27.229 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.891 -10.079 24.295 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.665 -11.505 24.957 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.660 -8.182 26.622 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.247 -8.511 27.653 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -16.034 -8.267 25.903 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.314 -9.988 23.974 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.566 -10.130 25.730 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.779 -8.682 25.058 1.00 42.20 H new ATOM 349 N GLY A 21 -14.113 -9.798 28.158 1.00 4.13 N ATOM 350 CA GLY A 21 -13.532 -9.611 29.476 1.00 62.52 C ATOM 351 C GLY A 21 -12.642 -10.766 29.887 1.00 10.52 C ATOM 352 O GLY A 21 -12.563 -11.109 31.066 1.00 13.11 O ATOM 0 H GLY A 21 -13.816 -9.118 27.458 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -12.952 -8.688 29.486 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.331 -9.494 30.208 1.00 62.52 H new ATOM 356 N ALA A 22 -11.970 -11.370 28.912 1.00 14.24 N ATOM 357 CA ALA A 22 -11.081 -12.493 29.179 1.00 24.05 C ATOM 358 C ALA A 22 -9.711 -12.010 29.645 1.00 13.45 C ATOM 359 O ALA A 22 -9.037 -11.255 28.945 1.00 23.13 O ATOM 360 CB ALA A 22 -10.941 -13.362 27.938 1.00 63.11 C ATOM 0 H ALA A 22 -12.025 -11.100 27.930 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.519 -13.089 29.979 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.274 -14.197 28.152 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.920 -13.744 27.649 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.528 -12.768 27.122 1.00 63.11 H new ATOM 366 N SER A 23 -9.307 -12.450 30.832 1.00 20.43 N ATOM 367 CA SER A 23 -8.019 -12.059 31.394 1.00 45.41 C ATOM 368 C SER A 23 -6.876 -12.780 30.685 1.00 32.33 C ATOM 369 O SER A 23 -6.672 -13.979 30.871 1.00 40.44 O ATOM 370 CB SER A 23 -7.979 -12.365 32.892 1.00 52.44 C ATOM 371 OG SER A 23 -9.199 -12.007 33.519 1.00 21.24 O ATOM 0 H SER A 23 -9.852 -13.077 31.423 1.00 20.43 H new ATOM 0 HA SER A 23 -7.896 -10.986 31.246 1.00 45.41 H new ATOM 0 HB2 SER A 23 -7.786 -13.427 33.044 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.155 -11.822 33.355 1.00 52.44 H new ATOM 0 HG SER A 23 -9.148 -12.214 34.476 1.00 21.24 H new ATOM 377 N VAL A 24 -6.131 -12.038 29.872 1.00 70.10 N ATOM 378 CA VAL A 24 -5.007 -12.603 29.135 1.00 11.40 C ATOM 379 C VAL A 24 -3.678 -12.136 29.717 1.00 21.15 C ATOM 380 O VAL A 24 -3.277 -10.986 29.535 1.00 75.44 O ATOM 381 CB VAL A 24 -5.065 -12.222 27.644 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.987 -12.958 26.863 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.444 -12.516 27.072 1.00 64.12 C ATOM 0 H VAL A 24 -6.286 -11.043 29.707 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.080 -13.687 29.228 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.880 -11.152 27.553 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -4.043 -12.676 25.811 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -3.006 -12.693 27.258 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -4.138 -14.033 26.959 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.467 -12.241 26.018 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.661 -13.579 27.174 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -7.193 -11.939 27.614 1.00 64.12 H new ATOM 393 N VAL A 25 -2.996 -13.036 30.419 1.00 54.40 N ATOM 394 CA VAL A 25 -1.710 -12.717 31.027 1.00 74.22 C ATOM 395 C VAL A 25 -0.632 -13.699 30.579 1.00 74.52 C ATOM 396 O VAL A 25 -0.871 -14.904 30.502 1.00 52.34 O ATOM 397 CB VAL A 25 -1.797 -12.733 32.564 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.894 -11.796 33.047 1.00 41.31 C ATOM 399 CG2 VAL A 25 -2.032 -14.149 33.070 1.00 31.03 C ATOM 0 H VAL A 25 -3.313 -13.992 30.580 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.443 -11.713 30.696 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.848 -12.381 32.968 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.940 -11.821 34.136 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.677 -10.780 32.716 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.852 -12.115 32.636 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -2.091 -14.141 34.158 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.966 -14.532 32.659 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -1.208 -14.789 32.756 1.00 31.03 H new ATOM 409 N GLU A 26 0.553 -13.174 30.287 1.00 60.03 N ATOM 410 CA GLU A 26 1.668 -14.005 29.846 1.00 2.03 C ATOM 411 C GLU A 26 2.244 -14.803 31.011 1.00 74.12 C ATOM 412 O GLU A 26 2.026 -14.470 32.176 1.00 32.34 O ATOM 413 CB GLU A 26 2.760 -13.139 29.216 1.00 54.12 C ATOM 414 CG GLU A 26 3.813 -13.937 28.467 1.00 11.04 C ATOM 415 CD GLU A 26 4.782 -13.055 27.702 1.00 42.11 C ATOM 416 OE1 GLU A 26 5.944 -13.471 27.516 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.375 -11.947 27.293 1.00 73.20 O1- ATOM 0 H GLU A 26 0.766 -12.178 30.347 1.00 60.03 H new ATOM 0 HA GLU A 26 1.294 -14.705 29.099 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.298 -12.429 28.530 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.246 -12.556 29.998 1.00 54.12 H new ATOM 0 HG2 GLU A 26 4.369 -14.552 29.175 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.321 -14.617 27.772 1.00 11.04 H new ATOM 424 N THR A 27 2.983 -15.861 30.689 1.00 32.44 N ATOM 425 CA THR A 27 3.591 -16.709 31.707 1.00 21.42 C ATOM 426 C THR A 27 4.652 -15.948 32.495 1.00 43.23 C ATOM 427 O THR A 27 4.740 -16.071 33.717 1.00 52.43 O ATOM 428 CB THR A 27 4.230 -17.964 31.085 1.00 43.33 C ATOM 429 OG1 THR A 27 4.998 -17.602 29.931 1.00 43.23 O ATOM 430 CG2 THR A 27 3.165 -18.977 30.693 1.00 11.11 C ATOM 0 H THR A 27 3.175 -16.151 29.730 1.00 32.44 H new ATOM 0 HA THR A 27 2.792 -17.015 32.382 1.00 21.42 H new ATOM 0 HB THR A 27 4.884 -18.418 31.829 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.403 -17.509 29.158 1.00 43.23 H new ATOM 0 HG21 THR A 27 3.641 -19.855 30.256 1.00 11.11 H new ATOM 0 HG22 THR A 27 2.601 -19.273 31.578 1.00 11.11 H new ATOM 0 HG23 THR A 27 2.489 -18.530 29.964 1.00 11.11 H new ATOM 438 N THR A 28 5.455 -15.160 31.787 1.00 30.42 N ATOM 439 CA THR A 28 6.512 -14.380 32.419 1.00 4.41 C ATOM 440 C THR A 28 6.140 -12.903 32.483 1.00 13.12 C ATOM 441 O THR A 28 6.669 -12.155 33.305 1.00 64.00 O ATOM 442 CB THR A 28 7.848 -14.531 31.668 1.00 64.03 C ATOM 443 OG1 THR A 28 7.612 -14.604 30.258 1.00 63.55 O ATOM 444 CG2 THR A 28 8.591 -15.775 32.129 1.00 20.21 C ATOM 0 H THR A 28 5.393 -15.045 30.775 1.00 30.42 H new ATOM 0 HA THR A 28 6.629 -14.767 33.431 1.00 4.41 H new ATOM 0 HB THR A 28 8.463 -13.658 31.888 1.00 64.03 H new ATOM 0 HG1 THR A 28 8.467 -14.698 29.788 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.531 -15.860 31.584 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.796 -15.702 33.197 1.00 20.21 H new ATOM 0 HG23 THR A 28 7.979 -16.656 31.937 1.00 20.21 H new ATOM 452 N ALA A 29 5.227 -12.489 31.611 1.00 21.15 N ATOM 453 CA ALA A 29 4.783 -11.102 31.570 1.00 63.21 C ATOM 454 C ALA A 29 3.303 -10.987 31.920 1.00 61.33 C ATOM 455 O ALA A 29 2.476 -10.666 31.068 1.00 2.51 O ATOM 456 CB ALA A 29 5.051 -10.501 30.198 1.00 62.41 C ATOM 0 H ALA A 29 4.780 -13.095 30.923 1.00 21.15 H new ATOM 0 HA ALA A 29 5.350 -10.544 32.316 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.714 -9.465 30.183 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.120 -10.538 29.987 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.512 -11.069 29.440 1.00 62.41 H new ATOM 462 N THR A 30 2.976 -11.254 33.181 1.00 64.05 N ATOM 463 CA THR A 30 1.595 -11.184 33.643 1.00 52.03 C ATOM 464 C THR A 30 1.194 -9.747 33.958 1.00 44.32 C ATOM 465 O THR A 30 0.051 -9.346 33.731 1.00 33.44 O ATOM 466 CB THR A 30 1.377 -12.052 34.896 1.00 73.01 C ATOM 467 OG1 THR A 30 1.672 -13.422 34.600 1.00 1.52 O ATOM 468 CG2 THR A 30 -0.055 -11.934 35.394 1.00 41.22 C ATOM 0 H THR A 30 3.649 -11.521 33.900 1.00 64.05 H new ATOM 0 HA THR A 30 0.971 -11.564 32.834 1.00 52.03 H new ATOM 0 HB THR A 30 2.048 -11.696 35.678 1.00 73.01 H new ATOM 0 HG1 THR A 30 1.516 -13.592 33.647 1.00 1.52 H new ATOM 0 HG21 THR A 30 -0.185 -12.556 36.280 1.00 41.22 H new ATOM 0 HG22 THR A 30 -0.268 -10.895 35.646 1.00 41.22 H new ATOM 0 HG23 THR A 30 -0.740 -12.266 34.614 1.00 41.22 H new ATOM 476 N THR A 31 2.140 -8.975 34.483 1.00 20.21 N ATOM 477 CA THR A 31 1.884 -7.582 34.830 1.00 74.23 C ATOM 478 C THR A 31 1.307 -6.817 33.644 1.00 5.21 C ATOM 479 O THR A 31 0.511 -5.896 33.817 1.00 44.33 O ATOM 480 CB THR A 31 3.168 -6.877 35.305 1.00 70.21 C ATOM 481 OG1 THR A 31 4.280 -7.291 34.504 1.00 65.04 O ATOM 482 CG2 THR A 31 3.447 -7.190 36.768 1.00 32.33 C ATOM 0 H THR A 31 3.090 -9.290 34.677 1.00 20.21 H new ATOM 0 HA THR A 31 1.158 -7.587 35.643 1.00 74.23 H new ATOM 0 HB THR A 31 3.025 -5.802 35.200 1.00 70.21 H new ATOM 0 HG1 THR A 31 5.092 -6.837 34.812 1.00 65.04 H new ATOM 0 HG21 THR A 31 4.359 -6.681 37.081 1.00 32.33 H new ATOM 0 HG22 THR A 31 2.612 -6.847 37.379 1.00 32.33 H new ATOM 0 HG23 THR A 31 3.571 -8.266 36.893 1.00 32.33 H new ATOM 490 N ASN A 32 1.714 -7.206 32.440 1.00 33.34 N ATOM 491 CA ASN A 32 1.236 -6.556 31.226 1.00 52.15 C ATOM 492 C ASN A 32 0.047 -7.309 30.637 1.00 70.20 C ATOM 493 O ASN A 32 -0.153 -7.323 29.424 1.00 25.25 O ATOM 494 CB ASN A 32 2.362 -6.471 30.192 1.00 21.20 C ATOM 495 CG ASN A 32 2.115 -5.390 29.157 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.690 -4.283 29.487 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.382 -5.709 27.895 1.00 53.21 N ATOM 0 H ASN A 32 2.373 -7.968 32.279 1.00 33.34 H new ATOM 0 HA ASN A 32 0.912 -5.548 31.487 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.305 -6.274 30.701 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.465 -7.433 29.691 1.00 21.20 H new ATOM 0 HD21 ASN A 32 2.236 -5.024 27.154 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.733 -6.639 27.667 1.00 53.21 H new ATOM 504 N GLY A 33 -0.741 -7.933 31.507 1.00 61.22 N ATOM 505 CA GLY A 33 -1.901 -8.678 31.057 1.00 53.12 C ATOM 506 C GLY A 33 -2.961 -7.786 30.442 1.00 52.44 C ATOM 507 O GLY A 33 -3.233 -6.695 30.945 1.00 13.13 O ATOM 0 H GLY A 33 -0.596 -7.935 32.517 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.589 -9.423 30.325 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.331 -9.219 31.900 1.00 53.12 H new ATOM 511 N THR A 34 -3.561 -8.247 29.349 1.00 73.43 N ATOM 512 CA THR A 34 -4.594 -7.482 28.664 1.00 24.51 C ATOM 513 C THR A 34 -5.928 -8.219 28.683 1.00 64.20 C ATOM 514 O THR A 34 -5.993 -9.396 29.040 1.00 40.52 O ATOM 515 CB THR A 34 -4.201 -7.192 27.202 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.125 -6.264 26.622 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.181 -8.474 26.383 1.00 1.21 C ATOM 0 H THR A 34 -3.349 -9.147 28.919 1.00 73.43 H new ATOM 0 HA THR A 34 -4.696 -6.538 29.200 1.00 24.51 H new ATOM 0 HB THR A 34 -3.200 -6.760 27.196 1.00 43.53 H new ATOM 0 HG1 THR A 34 -4.868 -6.083 25.694 1.00 72.33 H new ATOM 0 HG21 THR A 34 -3.901 -8.245 25.355 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.457 -9.167 26.810 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.171 -8.930 26.396 1.00 1.21 H new ATOM 525 N ILE A 35 -6.990 -7.521 28.296 1.00 53.35 N ATOM 526 CA ILE A 35 -8.323 -8.111 28.268 1.00 41.13 C ATOM 527 C ILE A 35 -8.862 -8.182 26.843 1.00 31.20 C ATOM 528 O ILE A 35 -8.298 -7.590 25.922 1.00 21.21 O ATOM 529 CB ILE A 35 -9.311 -7.313 29.139 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.457 -5.885 28.606 1.00 3.53 C ATOM 531 CG2 ILE A 35 -8.846 -7.297 30.588 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.693 -5.681 27.759 1.00 62.41 C ATOM 0 H ILE A 35 -6.954 -6.546 27.997 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.230 -9.120 28.670 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.286 -7.799 29.095 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -9.484 -5.193 29.447 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -8.576 -5.634 28.015 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.554 -6.729 31.191 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -8.788 -8.319 30.963 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -7.862 -6.831 30.649 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.732 -4.647 27.415 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -10.658 -6.348 26.898 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -11.581 -5.900 28.352 1.00 62.41 H new ATOM 544 N THR A 36 -9.961 -8.911 26.667 1.00 11.05 N ATOM 545 CA THR A 36 -10.577 -9.059 25.355 1.00 11.35 C ATOM 546 C THR A 36 -11.793 -8.150 25.213 1.00 20.04 C ATOM 547 O THR A 36 -12.464 -7.837 26.197 1.00 42.14 O ATOM 548 CB THR A 36 -11.008 -10.516 25.100 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.915 -10.946 26.120 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.800 -11.440 25.067 1.00 55.34 C ATOM 0 H THR A 36 -10.442 -9.408 27.417 1.00 11.05 H new ATOM 0 HA THR A 36 -9.826 -8.774 24.618 1.00 11.35 H new ATOM 0 HB THR A 36 -11.506 -10.559 24.131 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.420 -11.724 25.802 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.129 -12.463 24.886 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.126 -11.129 24.269 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.278 -11.391 26.023 1.00 55.34 H new ATOM 558 N ASP A 37 -12.070 -7.730 23.984 1.00 12.13 N ATOM 559 CA ASP A 37 -13.206 -6.857 23.712 1.00 12.53 C ATOM 560 C ASP A 37 -14.453 -7.674 23.386 1.00 15.53 C ATOM 561 O ASP A 37 -14.436 -8.903 23.446 1.00 0.31 O ATOM 562 CB ASP A 37 -12.884 -5.910 22.555 1.00 5.44 C ATOM 563 CG ASP A 37 -13.506 -4.539 22.740 1.00 34.54 C ATOM 564 OD1 ASP A 37 -13.148 -3.619 21.975 1.00 11.40 O ATOM 565 OD2 ASP A 37 -14.348 -4.386 23.648 1.00 5.53 O1- ATOM 0 H ASP A 37 -11.523 -7.980 23.160 1.00 12.13 H new ATOM 0 HA ASP A 37 -13.403 -6.268 24.608 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.803 -5.806 22.464 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -13.242 -6.346 21.622 1.00 5.44 H new ATOM 570 N PHE A 38 -15.534 -6.982 23.041 1.00 33.31 N ATOM 571 CA PHE A 38 -16.790 -7.643 22.707 1.00 53.25 C ATOM 572 C PHE A 38 -16.608 -8.589 21.525 1.00 61.41 C ATOM 573 O PHE A 38 -17.292 -9.608 21.421 1.00 72.12 O ATOM 574 CB PHE A 38 -17.866 -6.605 22.383 1.00 35.41 C ATOM 575 CG PHE A 38 -17.594 -5.832 21.124 1.00 23.40 C ATOM 576 CD1 PHE A 38 -16.808 -4.692 21.151 1.00 64.43 C ATOM 577 CD2 PHE A 38 -18.126 -6.246 19.914 1.00 13.51 C ATOM 578 CE1 PHE A 38 -16.556 -3.979 19.994 1.00 20.23 C ATOM 579 CE2 PHE A 38 -17.877 -5.538 18.753 1.00 23.43 C ATOM 580 CZ PHE A 38 -17.091 -4.404 18.793 1.00 34.05 C ATOM 0 H PHE A 38 -15.565 -5.964 22.985 1.00 33.31 H new ATOM 0 HA PHE A 38 -17.106 -8.226 23.572 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -18.828 -7.108 22.290 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.950 -5.908 23.217 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -16.387 -4.356 22.087 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -18.742 -7.132 19.877 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -15.942 -3.091 20.029 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -18.297 -5.872 17.816 1.00 23.43 H new ATOM 0 HZ PHE A 38 -16.895 -3.850 17.887 1.00 34.05 H new ATOM 590 N ASP A 39 -15.684 -8.245 20.636 1.00 22.51 N ATOM 591 CA ASP A 39 -15.411 -9.065 19.460 1.00 30.24 C ATOM 592 C ASP A 39 -14.647 -10.328 19.843 1.00 3.40 C ATOM 593 O ASP A 39 -14.628 -11.304 19.096 1.00 20.40 O ATOM 594 CB ASP A 39 -14.613 -8.265 18.429 1.00 73.22 C ATOM 595 CG ASP A 39 -15.501 -7.412 17.545 1.00 23.23 C ATOM 596 OD1 ASP A 39 -16.535 -7.927 17.071 1.00 51.04 O ATOM 597 OD2 ASP A 39 -15.162 -6.230 17.325 1.00 72.53 O1- ATOM 0 H ASP A 39 -15.111 -7.404 20.706 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.365 -9.358 19.023 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.897 -7.625 18.945 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -14.038 -8.951 17.807 1.00 73.22 H new ATOM 602 N GLY A 40 -14.018 -10.301 21.015 1.00 73.03 N ATOM 603 CA GLY A 40 -13.261 -11.450 21.476 1.00 73.43 C ATOM 604 C GLY A 40 -11.802 -11.384 21.069 1.00 75.31 C ATOM 605 O GLY A 40 -11.151 -12.414 20.900 1.00 64.34 O ATOM 0 H GLY A 40 -14.019 -9.505 21.652 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.330 -11.515 22.562 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.706 -12.360 21.074 1.00 73.43 H new ATOM 609 N ASN A 41 -11.288 -10.169 20.909 1.00 12.43 N ATOM 610 CA ASN A 41 -9.898 -9.973 20.516 1.00 23.51 C ATOM 611 C ASN A 41 -9.193 -9.012 21.469 1.00 23.24 C ATOM 612 O ASN A 41 -9.837 -8.211 22.148 1.00 21.02 O ATOM 613 CB ASN A 41 -9.820 -9.438 19.086 1.00 52.24 C ATOM 614 CG ASN A 41 -10.150 -7.960 19.002 1.00 71.23 C ATOM 615 OD1 ASN A 41 -11.419 -7.625 19.206 1.00 52.35 O flip ATOM 616 ND2 ASN A 41 -9.275 -7.130 18.757 1.00 22.41 N flip ATOM 0 H ASN A 41 -11.813 -9.305 21.046 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.395 -10.939 20.563 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.818 -9.606 18.692 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -10.509 -9.998 18.454 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -8.313 -7.433 18.607 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -9.512 -6.139 18.704 1.00 22.41 H new ATOM 623 N PHE A 42 -7.867 -9.096 21.514 1.00 71.21 N ATOM 624 CA PHE A 42 -7.076 -8.234 22.383 1.00 52.03 C ATOM 625 C PHE A 42 -5.762 -7.844 21.712 1.00 31.22 C ATOM 626 O PHE A 42 -5.377 -8.418 20.694 1.00 60.33 O ATOM 627 CB PHE A 42 -6.793 -8.937 23.713 1.00 2.54 C ATOM 628 CG PHE A 42 -6.166 -10.291 23.553 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.795 -10.453 23.677 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.946 -11.404 23.280 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.214 -11.699 23.531 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.370 -12.651 23.134 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.003 -12.799 23.258 1.00 22.53 C ATOM 0 H PHE A 42 -7.318 -9.752 20.959 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.650 -7.327 22.574 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -6.135 -8.309 24.314 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.727 -9.041 24.266 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.173 -9.596 23.890 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -8.016 -11.295 23.180 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.145 -11.812 23.630 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -6.989 -13.510 22.923 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.552 -13.773 23.142 1.00 22.53 H new ATOM 643 N THR A 43 -5.078 -6.862 22.290 1.00 70.14 N ATOM 644 CA THR A 43 -3.808 -6.393 21.749 1.00 1.25 C ATOM 645 C THR A 43 -2.696 -6.494 22.787 1.00 72.34 C ATOM 646 O THR A 43 -2.786 -5.908 23.866 1.00 32.41 O ATOM 647 CB THR A 43 -3.910 -4.934 21.263 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.626 -4.472 20.830 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.433 -4.030 22.369 1.00 0.43 C ATOM 0 H THR A 43 -5.382 -6.376 23.133 1.00 70.14 H new ATOM 0 HA THR A 43 -3.569 -7.036 20.902 1.00 1.25 H new ATOM 0 HB THR A 43 -4.609 -4.900 20.427 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.699 -3.545 20.521 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.496 -3.006 22.002 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.423 -4.367 22.677 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.755 -4.069 23.222 1.00 0.43 H new ATOM 657 N LEU A 44 -1.649 -7.240 22.454 1.00 30.33 N ATOM 658 CA LEU A 44 -0.518 -7.418 23.357 1.00 30.51 C ATOM 659 C LEU A 44 0.793 -7.487 22.582 1.00 15.23 C ATOM 660 O LEU A 44 0.944 -8.300 21.669 1.00 43.42 O ATOM 661 CB LEU A 44 -0.700 -8.689 24.189 1.00 2.24 C ATOM 662 CG LEU A 44 -0.050 -8.683 25.574 1.00 41.34 C ATOM 663 CD1 LEU A 44 -0.369 -9.971 26.317 1.00 14.32 C ATOM 664 CD2 LEU A 44 1.455 -8.491 25.457 1.00 72.23 C ATOM 0 H LEU A 44 -1.560 -7.732 21.565 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.478 -6.557 24.024 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.768 -8.869 24.312 1.00 2.24 H new ATOM 0 HB3 LEU A 44 -0.297 -9.530 23.624 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.458 -7.848 26.143 1.00 41.34 H new ATOM 0 HD11 LEU A 44 0.101 -9.950 27.300 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -1.449 -10.066 26.433 1.00 14.32 H new ATOM 0 HD13 LEU A 44 0.012 -10.821 25.751 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.900 -8.489 26.452 1.00 72.23 H new ATOM 0 HD22 LEU A 44 1.881 -9.305 24.870 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.663 -7.541 24.965 1.00 72.23 H new ATOM 676 N SER A 45 1.741 -6.631 22.952 1.00 73.42 N ATOM 677 CA SER A 45 3.039 -6.593 22.290 1.00 30.11 C ATOM 678 C SER A 45 4.097 -7.302 23.129 1.00 54.45 C ATOM 679 O SER A 45 4.431 -6.862 24.230 1.00 53.14 O ATOM 680 CB SER A 45 3.461 -5.146 22.031 1.00 12.24 C ATOM 681 OG SER A 45 4.715 -5.090 21.372 1.00 52.35 O ATOM 0 H SER A 45 1.634 -5.954 23.707 1.00 73.42 H new ATOM 0 HA SER A 45 2.949 -7.113 21.336 1.00 30.11 H new ATOM 0 HB2 SER A 45 2.705 -4.647 21.425 1.00 12.24 H new ATOM 0 HB3 SER A 45 3.519 -4.606 22.976 1.00 12.24 H new ATOM 0 HG SER A 45 4.961 -4.154 21.217 1.00 52.35 H new ATOM 687 N VAL A 46 4.622 -8.403 22.602 1.00 11.02 N ATOM 688 CA VAL A 46 5.643 -9.173 23.301 1.00 13.10 C ATOM 689 C VAL A 46 6.926 -9.261 22.479 1.00 41.33 C ATOM 690 O VAL A 46 6.906 -9.544 21.281 1.00 34.03 O ATOM 691 CB VAL A 46 5.154 -10.599 23.619 1.00 71.43 C ATOM 692 CG1 VAL A 46 6.226 -11.380 24.363 1.00 64.43 C ATOM 693 CG2 VAL A 46 3.863 -10.551 24.423 1.00 21.52 C ATOM 0 H VAL A 46 4.357 -8.782 21.693 1.00 11.02 H new ATOM 0 HA VAL A 46 5.847 -8.650 24.235 1.00 13.10 H new ATOM 0 HB VAL A 46 4.953 -11.113 22.679 1.00 71.43 H new ATOM 0 HG11 VAL A 46 5.861 -12.384 24.578 1.00 64.43 H new ATOM 0 HG12 VAL A 46 7.123 -11.444 23.747 1.00 64.43 H new ATOM 0 HG13 VAL A 46 6.463 -10.872 25.298 1.00 64.43 H new ATOM 0 HG21 VAL A 46 3.531 -11.566 24.639 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.036 -10.019 25.358 1.00 21.52 H new ATOM 0 HG23 VAL A 46 3.095 -10.033 23.848 1.00 21.52 H new ATOM 703 N PRO A 47 8.068 -9.011 23.136 1.00 12.13 N ATOM 704 CA PRO A 47 9.380 -9.055 22.486 1.00 2.21 C ATOM 705 C PRO A 47 9.793 -10.474 22.109 1.00 41.24 C ATOM 706 O PRO A 47 10.227 -10.728 20.986 1.00 33.23 O ATOM 707 CB PRO A 47 10.323 -8.489 23.551 1.00 32.44 C ATOM 708 CG PRO A 47 9.639 -8.763 24.846 1.00 60.01 C ATOM 709 CD PRO A 47 8.165 -8.666 24.565 1.00 52.01 C ATOM 0 HA PRO A 47 9.389 -8.498 21.549 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.301 -8.970 23.510 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.487 -7.421 23.408 1.00 32.44 H new ATOM 0 HG2 PRO A 47 9.900 -9.752 25.224 1.00 60.01 H new ATOM 0 HG3 PRO A 47 9.940 -8.042 25.606 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.591 -9.355 25.185 1.00 52.01 H new ATOM 0 HD3 PRO A 47 7.783 -7.665 24.764 1.00 52.01 H new ATOM 717 N VAL A 48 9.655 -11.397 23.056 1.00 62.33 N ATOM 718 CA VAL A 48 10.011 -12.791 22.823 1.00 40.41 C ATOM 719 C VAL A 48 8.785 -13.617 22.449 1.00 23.10 C ATOM 720 O VAL A 48 7.671 -13.099 22.383 1.00 71.24 O ATOM 721 CB VAL A 48 10.678 -13.415 24.063 1.00 11.01 C ATOM 722 CG1 VAL A 48 11.977 -12.695 24.390 1.00 61.40 C ATOM 723 CG2 VAL A 48 9.728 -13.384 25.250 1.00 30.33 C ATOM 0 H VAL A 48 9.299 -11.204 23.992 1.00 62.33 H new ATOM 0 HA VAL A 48 10.719 -12.802 21.994 1.00 40.41 H new ATOM 0 HB VAL A 48 10.914 -14.456 23.842 1.00 11.01 H new ATOM 0 HG11 VAL A 48 12.434 -13.150 25.269 1.00 61.40 H new ATOM 0 HG12 VAL A 48 12.660 -12.774 23.544 1.00 61.40 H new ATOM 0 HG13 VAL A 48 11.770 -11.644 24.592 1.00 61.40 H new ATOM 0 HG21 VAL A 48 10.215 -13.829 26.118 1.00 30.33 H new ATOM 0 HG22 VAL A 48 9.459 -12.352 25.474 1.00 30.33 H new ATOM 0 HG23 VAL A 48 8.827 -13.949 25.010 1.00 30.33 H new ATOM 733 N ASN A 49 8.999 -14.906 22.205 1.00 53.04 N ATOM 734 CA ASN A 49 7.911 -15.805 21.837 1.00 3.42 C ATOM 735 C ASN A 49 7.641 -16.816 22.948 1.00 15.14 C ATOM 736 O ASN A 49 7.788 -18.022 22.753 1.00 41.55 O ATOM 737 CB ASN A 49 8.244 -16.537 20.536 1.00 63.41 C ATOM 738 CG ASN A 49 9.536 -17.324 20.630 1.00 20.23 C ATOM 739 OD1 ASN A 49 10.620 -16.749 20.743 1.00 0.21 O ATOM 740 ND2 ASN A 49 9.429 -18.646 20.582 1.00 2.13 N ATOM 0 H ASN A 49 9.915 -15.351 22.255 1.00 53.04 H new ATOM 0 HA ASN A 49 7.013 -15.206 21.689 1.00 3.42 H new ATOM 0 HB2 ASN A 49 7.427 -17.213 20.284 1.00 63.41 H new ATOM 0 HB3 ASN A 49 8.321 -15.813 19.725 1.00 63.41 H new ATOM 0 HD21 ASN A 49 10.265 -19.228 20.639 1.00 2.13 H new ATOM 0 HD22 ASN A 49 8.511 -19.080 20.488 1.00 2.13 H new ATOM 747 N SER A 50 7.245 -16.314 24.113 1.00 44.25 N ATOM 748 CA SER A 50 6.957 -17.173 25.257 1.00 32.14 C ATOM 749 C SER A 50 5.512 -17.656 25.223 1.00 64.13 C ATOM 750 O SER A 50 4.791 -17.432 24.249 1.00 43.22 O ATOM 751 CB SER A 50 7.227 -16.425 26.564 1.00 24.20 C ATOM 752 OG SER A 50 7.371 -17.327 27.648 1.00 2.44 O ATOM 0 H SER A 50 7.116 -15.318 24.290 1.00 44.25 H new ATOM 0 HA SER A 50 7.613 -18.042 25.202 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.132 -15.825 26.463 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.408 -15.735 26.767 1.00 24.20 H new ATOM 0 HG SER A 50 7.544 -16.824 28.471 1.00 2.44 H new ATOM 758 N THR A 51 5.092 -18.322 26.295 1.00 5.13 N ATOM 759 CA THR A 51 3.731 -18.839 26.389 1.00 65.34 C ATOM 760 C THR A 51 2.792 -17.806 27.000 1.00 50.11 C ATOM 761 O THR A 51 3.229 -16.890 27.697 1.00 60.11 O ATOM 762 CB THR A 51 3.678 -20.127 27.231 1.00 55.53 C ATOM 763 OG1 THR A 51 4.920 -20.832 27.129 1.00 72.33 O ATOM 764 CG2 THR A 51 2.540 -21.027 26.772 1.00 1.44 C ATOM 0 H THR A 51 5.674 -18.516 27.110 1.00 5.13 H new ATOM 0 HA THR A 51 3.406 -19.064 25.373 1.00 65.34 H new ATOM 0 HB THR A 51 3.504 -19.848 28.270 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.878 -21.649 27.669 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.522 -21.931 27.381 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.593 -20.499 26.879 1.00 1.44 H new ATOM 0 HG23 THR A 51 2.689 -21.297 25.727 1.00 1.44 H new ATOM 772 N LEU A 52 1.499 -17.960 26.737 1.00 33.00 N ATOM 773 CA LEU A 52 0.496 -17.041 27.263 1.00 60.43 C ATOM 774 C LEU A 52 -0.624 -17.801 27.968 1.00 61.44 C ATOM 775 O LEU A 52 -1.022 -18.882 27.535 1.00 62.04 O ATOM 776 CB LEU A 52 -0.084 -16.187 26.134 1.00 25.32 C ATOM 777 CG LEU A 52 0.806 -15.054 25.625 1.00 24.22 C ATOM 778 CD1 LEU A 52 0.378 -14.624 24.230 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.769 -13.873 26.584 1.00 44.14 C ATOM 0 H LEU A 52 1.120 -18.713 26.162 1.00 33.00 H new ATOM 0 HA LEU A 52 0.982 -16.390 27.990 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.320 -16.841 25.295 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -1.025 -15.757 26.477 1.00 25.32 H new ATOM 0 HG LEU A 52 1.831 -15.420 25.572 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.023 -13.816 23.884 1.00 0.43 H new ATOM 0 HD12 LEU A 52 0.459 -15.470 23.548 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -0.655 -14.277 24.257 1.00 0.43 H new ATOM 0 HD21 LEU A 52 1.409 -13.076 26.205 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -0.254 -13.507 26.671 1.00 44.14 H new ATOM 0 HD23 LEU A 52 1.126 -14.189 27.564 1.00 44.14 H new ATOM 791 N LYS A 53 -1.128 -17.227 29.055 1.00 74.15 N ATOM 792 CA LYS A 53 -2.204 -17.846 29.818 1.00 74.21 C ATOM 793 C LYS A 53 -3.460 -16.982 29.790 1.00 31.10 C ATOM 794 O LYS A 53 -3.411 -15.791 30.102 1.00 13.00 O ATOM 795 CB LYS A 53 -1.763 -18.077 31.266 1.00 14.13 C ATOM 796 CG LYS A 53 -2.893 -18.509 32.185 1.00 13.04 C ATOM 797 CD LYS A 53 -2.364 -19.056 33.500 1.00 71.31 C ATOM 798 CE LYS A 53 -2.340 -17.984 34.580 1.00 44.24 C ATOM 799 NZ LYS A 53 -1.197 -18.167 35.516 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.808 -16.333 29.427 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.436 -18.806 29.357 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.982 -18.837 31.282 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -1.322 -17.159 31.653 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.549 -17.661 32.380 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -3.496 -19.270 31.689 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.987 -19.889 33.826 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -1.358 -19.449 33.353 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.275 -17.001 34.114 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -3.275 -18.010 35.139 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -1.215 -17.418 36.237 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -1.273 -19.095 35.979 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -0.303 -18.116 34.987 1.00 24.22 H new ATOM 813 N ILE A 54 -4.582 -17.588 29.418 1.00 64.31 N ATOM 814 CA ILE A 54 -5.850 -16.872 29.351 1.00 34.23 C ATOM 815 C ILE A 54 -6.881 -17.495 30.286 1.00 24.45 C ATOM 816 O ILE A 54 -6.998 -18.718 30.375 1.00 52.53 O ATOM 817 CB ILE A 54 -6.414 -16.857 27.919 1.00 12.32 C ATOM 818 CG1 ILE A 54 -5.421 -16.194 26.963 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.753 -16.135 27.884 1.00 55.33 C ATOM 820 CD1 ILE A 54 -5.780 -16.367 25.504 1.00 73.40 C ATOM 0 H ILE A 54 -4.639 -18.573 29.158 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.651 -15.847 29.663 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.569 -17.886 27.595 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -5.365 -15.130 27.191 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.429 -16.610 27.137 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -8.139 -16.133 26.865 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.459 -16.646 28.538 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.622 -15.108 28.224 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -5.033 -15.872 24.884 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -5.808 -17.429 25.260 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -6.758 -15.925 25.315 1.00 73.40 H new ATOM 832 N THR A 55 -7.632 -16.646 30.982 1.00 53.10 N ATOM 833 CA THR A 55 -8.655 -17.112 31.909 1.00 62.11 C ATOM 834 C THR A 55 -9.823 -16.136 31.976 1.00 50.41 C ATOM 835 O THR A 55 -9.628 -14.920 31.997 1.00 11.34 O ATOM 836 CB THR A 55 -8.082 -17.307 33.326 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.733 -16.038 33.891 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.857 -18.209 33.295 1.00 13.32 C ATOM 0 H THR A 55 -7.550 -15.631 30.920 1.00 53.10 H new ATOM 0 HA THR A 55 -9.009 -18.072 31.532 1.00 62.11 H new ATOM 0 HB THR A 55 -8.846 -17.781 33.942 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.371 -16.170 34.792 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.470 -18.332 34.307 1.00 13.32 H new ATOM 0 HG22 THR A 55 -7.133 -19.183 32.891 1.00 13.32 H new ATOM 0 HG23 THR A 55 -6.090 -17.759 32.665 1.00 13.32 H new ATOM 846 N TYR A 56 -11.036 -16.674 32.009 1.00 11.42 N ATOM 847 CA TYR A 56 -12.238 -15.849 32.071 1.00 11.02 C ATOM 848 C TYR A 56 -13.230 -16.408 33.086 1.00 62.40 C ATOM 849 O TYR A 56 -13.595 -17.583 33.033 1.00 41.44 O ATOM 850 CB TYR A 56 -12.895 -15.764 30.692 1.00 44.12 C ATOM 851 CG TYR A 56 -14.170 -14.951 30.680 1.00 65.43 C ATOM 852 CD1 TYR A 56 -14.254 -13.743 31.360 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.291 -15.392 29.987 1.00 4.15 C ATOM 854 CE1 TYR A 56 -15.417 -12.997 31.352 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.457 -14.652 29.971 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.516 -13.455 30.655 1.00 31.42 C ATOM 857 OH TYR A 56 -17.676 -12.717 30.644 1.00 41.25 O ATOM 0 H TYR A 56 -11.214 -17.678 31.994 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.946 -14.848 32.389 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.188 -15.326 29.988 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.113 -16.772 30.339 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -13.395 -13.380 31.905 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.250 -16.329 29.452 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -15.465 -12.061 31.888 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.318 -15.008 29.426 1.00 41.03 H new ATOM 0 HH TYR A 56 -18.353 -13.179 30.107 1.00 41.25 H new ATOM 867 N ILE A 57 -13.663 -15.557 34.010 1.00 62.21 N ATOM 868 CA ILE A 57 -14.615 -15.963 35.036 1.00 35.22 C ATOM 869 C ILE A 57 -15.830 -16.647 34.419 1.00 41.02 C ATOM 870 O ILE A 57 -16.562 -16.046 33.634 1.00 74.23 O ATOM 871 CB ILE A 57 -15.087 -14.761 35.874 1.00 72.44 C ATOM 872 CG1 ILE A 57 -16.142 -15.202 36.891 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.640 -13.669 34.970 1.00 21.35 C ATOM 874 CD1 ILE A 57 -16.473 -14.142 37.917 1.00 34.03 C ATOM 0 H ILE A 57 -13.370 -14.582 34.069 1.00 62.21 H new ATOM 0 HA ILE A 57 -14.096 -16.667 35.686 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.232 -14.358 36.417 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -17.053 -15.479 36.360 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.788 -16.096 37.405 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.970 -12.826 35.577 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.862 -13.338 34.282 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.485 -14.060 34.403 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -17.227 -14.524 38.605 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.573 -13.881 38.474 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.858 -13.255 37.413 1.00 34.03 H new ATOM 886 N GLY A 58 -16.041 -17.909 34.781 1.00 41.22 N ATOM 887 CA GLY A 58 -17.169 -18.655 34.256 1.00 34.45 C ATOM 888 C GLY A 58 -16.756 -19.978 33.644 1.00 45.03 C ATOM 889 O GLY A 58 -17.316 -21.024 33.973 1.00 23.42 O ATOM 0 H GLY A 58 -15.449 -18.428 35.430 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.885 -18.837 35.058 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.679 -18.054 33.503 1.00 34.45 H new ATOM 893 N TYR A 59 -15.775 -19.933 32.749 1.00 61.23 N ATOM 894 CA TYR A 59 -15.290 -21.138 32.086 1.00 30.13 C ATOM 895 C TYR A 59 -13.906 -21.523 32.600 1.00 1.25 C ATOM 896 O TYR A 59 -13.264 -20.761 33.324 1.00 60.34 O ATOM 897 CB TYR A 59 -15.244 -20.929 30.571 1.00 42.25 C ATOM 898 CG TYR A 59 -16.611 -20.861 29.929 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.017 -21.821 29.009 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.497 -19.837 30.239 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.264 -21.763 28.419 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.747 -19.771 29.655 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.126 -20.735 28.745 1.00 4.31 C ATOM 904 OH TYR A 59 -20.370 -20.674 28.159 1.00 24.41 O ATOM 0 H TYR A 59 -15.300 -19.076 32.466 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.981 -21.950 32.313 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.704 -20.007 30.356 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.678 -21.743 30.117 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.345 -22.626 28.751 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.203 -19.079 30.950 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.563 -22.517 27.707 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.424 -18.969 29.910 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.853 -19.891 28.497 1.00 24.41 H new ATOM 914 N LYS A 60 -13.450 -22.711 32.218 1.00 52.23 N ATOM 915 CA LYS A 60 -12.140 -23.199 32.636 1.00 72.32 C ATOM 916 C LYS A 60 -11.024 -22.392 31.982 1.00 51.35 C ATOM 917 O LYS A 60 -11.212 -21.754 30.945 1.00 73.04 O ATOM 918 CB LYS A 60 -11.989 -24.680 32.281 1.00 13.13 C ATOM 919 CG LYS A 60 -12.649 -25.615 33.280 1.00 75.30 C ATOM 920 CD LYS A 60 -11.661 -26.101 34.327 1.00 4.44 C ATOM 921 CE LYS A 60 -11.927 -27.547 34.716 1.00 2.10 C ATOM 922 NZ LYS A 60 -12.917 -27.650 35.825 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.968 -23.354 31.619 1.00 52.23 H new ATOM 0 HA LYS A 60 -12.063 -23.080 33.717 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.418 -24.854 31.294 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.928 -24.923 32.214 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -13.476 -25.100 33.770 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.073 -26.470 32.754 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -10.646 -26.008 33.942 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -11.726 -25.467 35.212 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -12.295 -28.095 33.848 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -10.992 -28.020 35.018 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -13.589 -28.417 35.621 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -12.420 -27.853 36.716 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -13.434 -26.752 35.913 1.00 3.41 H new ATOM 936 N PRO A 61 -9.833 -22.419 32.597 1.00 20.42 N ATOM 937 CA PRO A 61 -8.663 -21.697 32.090 1.00 52.34 C ATOM 938 C PRO A 61 -8.120 -22.304 30.801 1.00 43.11 C ATOM 939 O PRO A 61 -8.474 -23.424 30.434 1.00 71.32 O ATOM 940 CB PRO A 61 -7.640 -21.840 33.221 1.00 12.55 C ATOM 941 CG PRO A 61 -8.039 -23.085 33.936 1.00 64.21 C ATOM 942 CD PRO A 61 -9.537 -23.158 33.836 1.00 62.33 C ATOM 0 HA PRO A 61 -8.900 -20.663 31.839 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.625 -21.916 32.830 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.662 -20.977 33.886 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.575 -23.961 33.483 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.718 -23.057 34.977 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.886 -24.189 33.782 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -10.020 -22.703 34.701 1.00 62.33 H new ATOM 950 N VAL A 62 -7.257 -21.558 30.118 1.00 41.12 N ATOM 951 CA VAL A 62 -6.664 -22.025 28.870 1.00 22.22 C ATOM 952 C VAL A 62 -5.289 -21.404 28.650 1.00 13.54 C ATOM 953 O VAL A 62 -5.035 -20.269 29.056 1.00 74.11 O ATOM 954 CB VAL A 62 -7.563 -21.695 27.664 1.00 23.31 C ATOM 955 CG1 VAL A 62 -7.745 -20.191 27.528 1.00 24.54 C ATOM 956 CG2 VAL A 62 -6.982 -22.287 26.389 1.00 33.21 C ATOM 0 H VAL A 62 -6.953 -20.628 30.408 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.562 -23.107 28.952 1.00 22.22 H new ATOM 0 HB VAL A 62 -8.543 -22.141 27.831 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -8.383 -19.978 26.670 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.209 -19.797 28.432 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -6.773 -19.719 27.384 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.630 -22.044 25.547 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -5.989 -21.872 26.215 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.910 -23.370 26.491 1.00 33.21 H new ATOM 966 N THR A 63 -4.404 -22.155 28.003 1.00 11.33 N ATOM 967 CA THR A 63 -3.054 -21.680 27.729 1.00 11.40 C ATOM 968 C THR A 63 -2.671 -21.921 26.273 1.00 54.21 C ATOM 969 O THR A 63 -2.988 -22.965 25.702 1.00 35.44 O ATOM 970 CB THR A 63 -2.020 -22.367 28.640 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.142 -23.790 28.533 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.210 -21.943 30.089 1.00 60.11 C ATOM 0 H THR A 63 -4.598 -23.095 27.659 1.00 11.33 H new ATOM 0 HA THR A 63 -3.050 -20.609 27.931 1.00 11.40 H new ATOM 0 HB THR A 63 -1.024 -22.063 28.317 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.480 -24.220 29.114 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.469 -22.441 30.714 1.00 60.11 H new ATOM 0 HG22 THR A 63 -2.088 -20.863 30.171 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.210 -22.221 30.421 1.00 60.11 H new ATOM 980 N VAL A 64 -1.988 -20.949 25.676 1.00 54.51 N ATOM 981 CA VAL A 64 -1.560 -21.058 24.286 1.00 53.21 C ATOM 982 C VAL A 64 -0.280 -20.267 24.043 1.00 13.32 C ATOM 983 O VAL A 64 0.177 -19.522 24.908 1.00 10.04 O ATOM 984 CB VAL A 64 -2.652 -20.557 23.322 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.876 -21.457 23.387 1.00 21.00 C ATOM 986 CG2 VAL A 64 -3.022 -19.116 23.641 1.00 14.45 C ATOM 0 H VAL A 64 -1.719 -20.078 26.133 1.00 54.51 H new ATOM 0 HA VAL A 64 -1.373 -22.114 24.093 1.00 53.21 H new ATOM 0 HB VAL A 64 -2.260 -20.592 22.306 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.636 -21.087 22.699 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -3.596 -22.472 23.107 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -4.274 -21.457 24.402 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.795 -18.777 22.951 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.396 -19.054 24.663 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.141 -18.483 23.538 1.00 14.45 H new ATOM 996 N LYS A 65 0.296 -20.435 22.857 1.00 23.50 N ATOM 997 CA LYS A 65 1.524 -19.736 22.496 1.00 33.44 C ATOM 998 C LYS A 65 1.213 -18.386 21.856 1.00 51.13 C ATOM 999 O LYS A 65 0.124 -18.178 21.323 1.00 14.12 O ATOM 1000 CB LYS A 65 2.357 -20.589 21.535 1.00 53.40 C ATOM 1001 CG LYS A 65 1.655 -20.886 20.221 1.00 44.43 C ATOM 1002 CD LYS A 65 2.155 -19.982 19.107 1.00 43.14 C ATOM 1003 CE LYS A 65 3.208 -20.676 18.256 1.00 1.42 C ATOM 1004 NZ LYS A 65 2.595 -21.524 17.197 1.00 70.32 N1+ ATOM 0 H LYS A 65 -0.068 -21.050 22.129 1.00 23.50 H new ATOM 0 HA LYS A 65 2.096 -19.563 23.407 1.00 33.44 H new ATOM 0 HB2 LYS A 65 3.296 -20.076 21.328 1.00 53.40 H new ATOM 0 HB3 LYS A 65 2.609 -21.530 22.023 1.00 53.40 H new ATOM 0 HG2 LYS A 65 1.819 -21.928 19.947 1.00 44.43 H new ATOM 0 HG3 LYS A 65 0.580 -20.754 20.343 1.00 44.43 H new ATOM 0 HD2 LYS A 65 1.317 -19.681 18.478 1.00 43.14 H new ATOM 0 HD3 LYS A 65 2.574 -19.072 19.536 1.00 43.14 H new ATOM 0 HE2 LYS A 65 3.852 -19.928 17.794 1.00 1.42 H new ATOM 0 HE3 LYS A 65 3.841 -21.293 18.894 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 3.345 -21.979 16.639 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 2.000 -22.254 17.638 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 2.011 -20.932 16.573 1.00 70.32 H new ATOM 1018 N ALA A 66 2.178 -17.475 21.911 1.00 25.33 N ATOM 1019 CA ALA A 66 2.010 -16.147 21.333 1.00 72.41 C ATOM 1020 C ALA A 66 2.373 -16.143 19.852 1.00 62.14 C ATOM 1021 O ALA A 66 3.400 -16.690 19.454 1.00 13.22 O ATOM 1022 CB ALA A 66 2.854 -15.131 22.089 1.00 71.52 C ATOM 0 H ALA A 66 3.085 -17.632 22.350 1.00 25.33 H new ATOM 0 HA ALA A 66 0.960 -15.869 21.423 1.00 72.41 H new ATOM 0 HB1 ALA A 66 2.719 -14.144 21.646 1.00 71.52 H new ATOM 0 HB2 ALA A 66 2.544 -15.106 23.134 1.00 71.52 H new ATOM 0 HB3 ALA A 66 3.905 -15.414 22.029 1.00 71.52 H new ATOM 1028 N ALA A 67 1.523 -15.522 19.041 1.00 60.43 N ATOM 1029 CA ALA A 67 1.755 -15.445 17.604 1.00 33.34 C ATOM 1030 C ALA A 67 0.867 -14.386 16.960 1.00 63.13 C ATOM 1031 O ALA A 67 0.080 -13.726 17.639 1.00 55.04 O ATOM 1032 CB ALA A 67 1.517 -16.802 16.958 1.00 32.31 C ATOM 0 H ALA A 67 0.667 -15.065 19.355 1.00 60.43 H new ATOM 0 HA ALA A 67 2.794 -15.156 17.443 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.694 -16.730 15.885 1.00 32.31 H new ATOM 0 HB2 ALA A 67 2.198 -17.535 17.390 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.488 -17.114 17.136 1.00 32.31 H new ATOM 1038 N ALA A 68 0.999 -14.229 15.647 1.00 60.23 N ATOM 1039 CA ALA A 68 0.207 -13.251 14.911 1.00 73.13 C ATOM 1040 C ALA A 68 -1.284 -13.452 15.161 1.00 2.42 C ATOM 1041 O ALA A 68 -1.973 -12.542 15.623 1.00 53.41 O ATOM 1042 CB ALA A 68 0.511 -13.337 13.423 1.00 13.31 C ATOM 0 H ALA A 68 1.647 -14.767 15.071 1.00 60.23 H new ATOM 0 HA ALA A 68 0.478 -12.258 15.269 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.088 -12.601 12.886 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.569 -13.136 13.256 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.270 -14.336 13.059 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.775 -14.648 14.853 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.184 -14.967 15.045 1.00 43.13 C ATOM 1050 C ILE A 69 -3.352 -16.305 15.758 1.00 23.51 C ATOM 1051 O ILE A 69 -3.050 -17.359 15.200 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.938 -15.015 13.703 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.820 -13.672 12.979 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.399 -15.373 13.930 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -2.604 -13.573 12.086 1.00 23.11 C ATOM 0 H ILE A 69 -1.218 -15.412 14.470 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.606 -14.174 15.662 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.488 -15.785 13.077 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.716 -13.512 12.379 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -3.784 -12.872 13.718 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.919 -15.403 12.973 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.464 -16.350 14.409 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.862 -14.623 14.571 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -2.584 -12.595 11.605 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -1.702 -13.701 12.684 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -2.648 -14.351 11.324 1.00 23.11 H new ATOM 1067 N VAL A 70 -3.839 -16.254 16.994 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.051 -17.461 17.783 1.00 74.42 C ATOM 1069 C VAL A 70 -5.485 -17.539 18.293 1.00 52.51 C ATOM 1070 O VAL A 70 -5.974 -16.617 18.945 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.086 -17.525 18.982 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.243 -16.292 19.860 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -3.320 -18.794 19.787 1.00 74.33 C ATOM 0 H VAL A 70 -4.094 -15.389 17.470 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.856 -18.308 17.125 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.064 -17.545 18.603 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -2.554 -16.355 20.702 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.022 -15.399 19.276 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -4.266 -16.238 20.232 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.630 -18.823 20.630 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -4.345 -18.806 20.157 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.153 -19.664 19.152 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.154 -18.648 17.994 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.534 -18.847 18.422 1.00 11.52 C ATOM 1085 C ASN A 71 -7.591 -19.652 19.717 1.00 55.40 C ATOM 1086 O ASN A 71 -6.877 -20.642 19.876 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.331 -19.561 17.329 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.623 -18.661 16.143 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -9.160 -17.478 16.418 1.00 10.31 O flip ATOM 1090 ND2 ASN A 71 -8.366 -19.024 14.996 1.00 50.40 N flip ATOM 0 H ASN A 71 -5.763 -19.422 17.457 1.00 53.23 H new ATOM 0 HA ASN A 71 -7.977 -17.868 18.604 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.775 -20.435 16.990 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.270 -19.923 17.746 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -7.953 -19.942 14.832 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -8.565 -18.407 14.209 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.446 -19.221 20.638 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.597 -19.902 21.918 1.00 24.20 C ATOM 1099 C VAL A 72 -10.032 -20.376 22.122 1.00 31.43 C ATOM 1100 O VAL A 72 -10.977 -19.759 21.631 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.199 -18.987 23.092 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.177 -19.769 24.396 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.849 -18.339 22.828 1.00 24.11 C ATOM 0 H VAL A 72 -9.045 -18.403 20.522 1.00 51.53 H new ATOM 0 HA VAL A 72 -7.931 -20.765 21.898 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.945 -18.197 23.182 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.894 -19.106 25.213 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.167 -20.181 24.590 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.454 -20.581 24.321 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.584 -17.696 23.667 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.091 -19.113 22.710 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.904 -17.743 21.917 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.187 -21.477 22.850 1.00 10.54 N ATOM 1114 CA LEU A 73 -11.507 -22.035 23.119 1.00 72.02 C ATOM 1115 C LEU A 73 -11.730 -22.206 24.619 1.00 3.23 C ATOM 1116 O LEU A 73 -10.949 -22.870 25.302 1.00 44.43 O ATOM 1117 CB LEU A 73 -11.668 -23.382 22.411 1.00 3.23 C ATOM 1118 CG LEU A 73 -11.437 -23.378 20.900 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -11.005 -24.755 20.422 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -12.694 -22.927 20.170 1.00 64.32 C ATOM 0 H LEU A 73 -9.415 -22.000 23.264 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.253 -21.339 22.736 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -10.975 -24.092 22.862 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -12.675 -23.753 22.603 1.00 3.23 H new ATOM 0 HG LEU A 73 -10.638 -22.672 20.676 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -10.845 -24.732 19.344 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -10.078 -25.039 20.920 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -11.782 -25.482 20.659 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -12.512 -22.930 19.095 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -13.513 -23.608 20.401 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -12.959 -21.919 20.490 1.00 64.32 H new ATOM 1132 N LEU A 74 -12.802 -21.606 25.124 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.130 -21.694 26.544 1.00 22.25 C ATOM 1134 C LEU A 74 -13.981 -22.926 26.830 1.00 10.24 C ATOM 1135 O LEU A 74 -15.058 -23.095 26.259 1.00 22.34 O ATOM 1136 CB LEU A 74 -13.870 -20.432 26.995 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.244 -19.670 28.163 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.792 -19.332 27.864 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.037 -18.406 28.461 1.00 34.41 C ATOM 0 H LEU A 74 -13.459 -21.054 24.573 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.198 -21.781 27.103 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -13.945 -19.755 26.144 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -14.887 -20.710 27.272 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.272 -20.310 29.045 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.364 -18.790 28.707 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.230 -20.252 27.701 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.740 -18.712 26.969 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.577 -17.876 29.295 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.041 -17.763 27.581 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.062 -18.672 28.721 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.491 -23.784 27.721 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.208 -25.000 28.085 1.00 73.42 C ATOM 1153 C GLU A 75 -15.137 -24.751 29.269 1.00 44.11 C ATOM 1154 O GLU A 75 -14.763 -24.084 30.233 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.221 -26.118 28.424 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.749 -27.510 28.117 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.653 -28.557 28.092 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.472 -28.176 27.948 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -12.975 -29.758 28.215 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.601 -23.659 28.203 1.00 25.11 H new ATOM 0 HA GLU A 75 -14.812 -25.304 27.230 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.298 -25.958 27.867 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -12.968 -26.060 29.483 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -14.493 -27.786 28.865 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -14.256 -27.497 27.152 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.350 -25.289 29.187 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.333 -25.123 30.251 1.00 55.40 C ATOM 1168 C GLU A 76 -16.768 -25.591 31.589 1.00 52.44 C ATOM 1169 O GLU A 76 -16.030 -26.573 31.655 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.608 -25.901 29.922 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.348 -27.293 29.371 1.00 75.12 C ATOM 1172 CD GLU A 76 -19.520 -28.232 29.580 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -20.415 -28.270 28.711 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -19.541 -28.931 30.615 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.675 -25.843 28.395 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.574 -24.063 30.329 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -19.215 -25.984 30.823 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.191 -25.335 29.196 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.129 -27.223 28.305 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -17.463 -27.710 29.851 1.00 75.12 H new ATOM 1181 N ASP A 77 -17.123 -24.880 32.654 1.00 24.14 N ATOM 1182 CA ASP A 77 -16.653 -25.222 33.992 1.00 14.13 C ATOM 1183 C ASP A 77 -17.802 -25.728 34.858 1.00 2.45 C ATOM 1184 O ASP A 77 -17.922 -25.360 36.027 1.00 35.31 O ATOM 1185 CB ASP A 77 -15.998 -24.007 34.651 1.00 0.41 C ATOM 1186 CG ASP A 77 -15.312 -24.356 35.958 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -14.284 -25.064 35.919 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -15.805 -23.922 37.020 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.734 -24.064 32.617 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.914 -26.018 33.899 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -15.269 -23.575 33.966 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -16.755 -23.244 34.834 1.00 0.41 H new ATOM 1193 N THR A 78 -18.646 -26.575 34.277 1.00 73.11 N ATOM 1194 CA THR A 78 -19.787 -27.130 34.995 1.00 32.45 C ATOM 1195 C THR A 78 -19.506 -28.556 35.452 1.00 35.21 C ATOM 1196 O THR A 78 -20.345 -29.443 35.296 1.00 74.43 O ATOM 1197 CB THR A 78 -21.056 -27.123 34.122 1.00 13.32 C ATOM 1198 OG1 THR A 78 -20.804 -27.795 32.883 1.00 10.33 O ATOM 1199 CG2 THR A 78 -21.517 -25.700 33.848 1.00 23.12 C ATOM 0 H THR A 78 -18.561 -26.892 33.311 1.00 73.11 H new ATOM 0 HA THR A 78 -19.952 -26.497 35.867 1.00 32.45 H new ATOM 0 HB THR A 78 -21.844 -27.646 34.664 1.00 13.32 H new ATOM 0 HG1 THR A 78 -21.617 -27.787 32.335 1.00 10.33 H new ATOM 0 HG21 THR A 78 -22.414 -25.721 33.230 1.00 23.12 H new ATOM 0 HG22 THR A 78 -21.738 -25.201 34.792 1.00 23.12 H new ATOM 0 HG23 THR A 78 -20.729 -25.157 33.326 1.00 23.12 H new ATOM 1207 N GLN A 79 -18.323 -28.769 36.020 1.00 71.11 N ATOM 1208 CA GLN A 79 -17.934 -30.089 36.500 1.00 23.05 C ATOM 1209 C GLN A 79 -17.121 -29.982 37.787 1.00 15.21 C ATOM 1210 O GLN A 79 -16.213 -29.158 37.891 1.00 62.32 O ATOM 1211 CB GLN A 79 -17.124 -30.826 35.432 1.00 33.22 C ATOM 1212 CG GLN A 79 -15.867 -30.087 35.003 1.00 21.24 C ATOM 1213 CD GLN A 79 -15.166 -30.755 33.837 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -14.642 -31.863 33.965 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -15.152 -30.086 32.691 1.00 4.20 N ATOM 0 H GLN A 79 -17.618 -28.045 36.159 1.00 71.11 H new ATOM 0 HA GLN A 79 -18.843 -30.653 36.710 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -16.845 -31.809 35.813 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -17.755 -30.990 34.558 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -16.127 -29.065 34.728 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -15.181 -30.025 35.847 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -15.598 -29.171 32.629 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -14.695 -30.487 31.872 1.00 4.20 H new ATOM 1224 N MET A 80 -17.454 -30.821 38.763 1.00 10.55 N ATOM 1225 CA MET A 80 -16.754 -30.820 40.042 1.00 33.12 C ATOM 1226 C MET A 80 -15.449 -31.603 39.948 1.00 54.10 C ATOM 1227 O MET A 80 -15.432 -32.747 39.496 1.00 32.25 O ATOM 1228 CB MET A 80 -17.643 -31.417 41.134 1.00 43.24 C ATOM 1229 CG MET A 80 -17.041 -31.324 42.527 1.00 33.52 C ATOM 1230 SD MET A 80 -18.280 -31.448 43.831 1.00 41.55 S ATOM 1231 CE MET A 80 -18.295 -29.765 44.445 1.00 74.23 C ATOM 0 H MET A 80 -18.203 -31.509 38.692 1.00 10.55 H new ATOM 0 HA MET A 80 -16.519 -29.787 40.299 1.00 33.12 H new ATOM 0 HB2 MET A 80 -18.605 -30.905 41.128 1.00 43.24 H new ATOM 0 HB3 MET A 80 -17.838 -32.464 40.901 1.00 43.24 H new ATOM 0 HG2 MET A 80 -16.305 -32.118 42.654 1.00 33.52 H new ATOM 0 HG3 MET A 80 -16.509 -30.378 42.626 1.00 33.52 H new ATOM 0 HE1 MET A 80 -19.015 -29.681 45.259 1.00 74.23 H new ATOM 0 HE2 MET A 80 -17.302 -29.502 44.811 1.00 74.23 H new ATOM 0 HE3 MET A 80 -18.576 -29.086 43.640 1.00 74.23 H new ATOM 1241 N VAL A 81 -14.356 -30.979 40.379 1.00 0.53 N ATOM 1242 CA VAL A 81 -13.047 -31.619 40.343 1.00 1.25 C ATOM 1243 C VAL A 81 -12.035 -30.844 41.180 1.00 62.43 C ATOM 1244 O VAL A 81 -11.922 -29.624 41.063 1.00 3.11 O ATOM 1245 CB VAL A 81 -12.520 -31.740 38.901 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -12.373 -30.364 38.269 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -11.197 -32.491 38.879 1.00 54.24 C ATOM 0 H VAL A 81 -14.352 -30.032 40.757 1.00 0.53 H new ATOM 0 HA VAL A 81 -13.171 -32.618 40.760 1.00 1.25 H new ATOM 0 HB VAL A 81 -13.243 -32.307 38.314 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -12.000 -30.469 37.250 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -13.343 -29.867 38.250 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -11.671 -29.769 38.853 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -10.839 -32.567 37.852 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -10.464 -31.954 39.480 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -11.339 -33.491 39.289 1.00 54.24 H new ATOM 1257 N ASP A 82 -11.300 -31.562 42.023 1.00 21.33 N ATOM 1258 CA ASP A 82 -10.294 -30.941 42.877 1.00 52.35 C ATOM 1259 C ASP A 82 -9.191 -30.300 42.043 1.00 42.13 C ATOM 1260 O ASP A 82 -8.692 -30.899 41.091 1.00 40.40 O ATOM 1261 CB ASP A 82 -9.694 -31.979 43.828 1.00 62.52 C ATOM 1262 CG ASP A 82 -8.632 -31.387 44.734 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -7.508 -31.932 44.765 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -8.923 -30.380 45.413 1.00 1.31 O1- ATOM 0 H ASP A 82 -11.382 -32.573 42.133 1.00 21.33 H new ATOM 0 HA ASP A 82 -10.781 -30.160 43.461 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -10.488 -32.411 44.437 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -9.260 -32.792 43.247 1.00 62.52 H new ATOM 1269 N GLU A 83 -8.817 -29.077 42.406 1.00 63.12 N ATOM 1270 CA GLU A 83 -7.773 -28.354 41.688 1.00 23.02 C ATOM 1271 C GLU A 83 -6.719 -27.820 42.653 1.00 10.51 C ATOM 1272 O GLU A 83 -6.674 -26.625 42.943 1.00 50.40 O ATOM 1273 CB GLU A 83 -8.380 -27.199 40.888 1.00 13.42 C ATOM 1274 CG GLU A 83 -9.387 -26.376 41.676 1.00 3.23 C ATOM 1275 CD GLU A 83 -9.604 -24.998 41.084 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -10.675 -24.772 40.482 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -8.703 -24.145 41.222 1.00 64.43 O1- ATOM 0 H GLU A 83 -9.220 -28.567 43.192 1.00 63.12 H new ATOM 0 HA GLU A 83 -7.292 -29.050 41.000 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -7.578 -26.545 40.544 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -8.867 -27.600 39.999 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -10.338 -26.907 41.709 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -9.042 -26.275 42.705 1.00 3.23 H new ATOM 1284 N VAL A 84 -5.870 -28.716 43.148 1.00 23.40 N ATOM 1285 CA VAL A 84 -4.815 -28.337 44.080 1.00 2.42 C ATOM 1286 C VAL A 84 -3.884 -27.298 43.463 1.00 11.52 C ATOM 1287 O VAL A 84 -3.601 -27.337 42.265 1.00 34.13 O ATOM 1288 CB VAL A 84 -3.986 -29.559 44.517 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -4.772 -30.414 45.499 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -3.563 -30.375 43.305 1.00 53.25 C ATOM 0 H VAL A 84 -5.893 -29.710 42.919 1.00 23.40 H new ATOM 0 HA VAL A 84 -5.304 -27.908 44.955 1.00 2.42 H new ATOM 0 HB VAL A 84 -3.086 -29.206 45.021 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -4.170 -31.273 45.797 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -5.020 -29.822 46.380 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -5.690 -30.761 45.025 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -2.978 -31.235 43.631 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -4.449 -30.720 42.772 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -2.959 -29.756 42.642 1.00 53.25 H new ATOM 1300 N VAL A 85 -3.411 -26.371 44.289 1.00 23.03 N ATOM 1301 CA VAL A 85 -2.509 -25.324 43.826 1.00 53.43 C ATOM 1302 C VAL A 85 -1.058 -25.662 44.151 1.00 23.44 C ATOM 1303 O VAL A 85 -0.720 -25.952 45.298 1.00 52.44 O ATOM 1304 CB VAL A 85 -2.861 -23.962 44.455 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -1.926 -22.878 43.941 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -4.312 -23.604 44.172 1.00 13.25 C ATOM 0 H VAL A 85 -3.638 -26.324 45.282 1.00 23.03 H new ATOM 0 HA VAL A 85 -2.629 -25.259 42.745 1.00 53.43 H new ATOM 0 HB VAL A 85 -2.733 -24.036 45.535 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -2.190 -21.924 44.396 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -0.898 -23.131 44.200 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -2.019 -22.801 42.858 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -4.543 -22.639 44.623 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -4.469 -23.548 43.095 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -4.964 -24.368 44.595 1.00 13.25 H new ATOM 1316 N VAL A 86 -0.204 -25.621 43.133 1.00 13.51 N ATOM 1317 CA VAL A 86 1.211 -25.922 43.311 1.00 11.22 C ATOM 1318 C VAL A 86 2.062 -24.666 43.169 1.00 63.12 C ATOM 1319 O VAL A 86 1.792 -23.811 42.324 1.00 25.30 O ATOM 1320 CB VAL A 86 1.694 -26.974 42.294 1.00 50.12 C ATOM 1321 CG1 VAL A 86 1.625 -26.419 40.879 1.00 3.22 C ATOM 1322 CG2 VAL A 86 3.105 -27.430 42.629 1.00 73.01 C ATOM 0 H VAL A 86 -0.468 -25.382 42.177 1.00 13.51 H new ATOM 0 HA VAL A 86 1.325 -26.323 44.318 1.00 11.22 H new ATOM 0 HB VAL A 86 1.034 -27.840 42.351 1.00 50.12 H new ATOM 0 HG11 VAL A 86 1.970 -27.176 40.174 1.00 3.22 H new ATOM 0 HG12 VAL A 86 0.596 -26.147 40.645 1.00 3.22 H new ATOM 0 HG13 VAL A 86 2.260 -25.536 40.803 1.00 3.22 H new ATOM 0 HG21 VAL A 86 3.430 -28.173 41.900 1.00 73.01 H new ATOM 0 HG22 VAL A 86 3.780 -26.575 42.601 1.00 73.01 H new ATOM 0 HG23 VAL A 86 3.118 -27.870 43.626 1.00 73.01 H new ATOM 1332 N THR A 87 3.093 -24.558 44.000 1.00 32.30 N ATOM 1333 CA THR A 87 3.985 -23.405 43.969 1.00 63.34 C ATOM 1334 C THR A 87 5.314 -23.756 43.310 1.00 32.24 C ATOM 1335 O THR A 87 5.618 -24.927 43.089 1.00 11.13 O ATOM 1336 CB THR A 87 4.254 -22.863 45.385 1.00 65.24 C ATOM 1337 OG1 THR A 87 4.981 -21.632 45.308 1.00 1.23 O ATOM 1338 CG2 THR A 87 5.038 -23.872 46.210 1.00 64.13 C ATOM 0 H THR A 87 3.332 -25.256 44.704 1.00 32.30 H new ATOM 0 HA THR A 87 3.484 -22.634 43.383 1.00 63.34 H new ATOM 0 HB THR A 87 3.295 -22.687 45.872 1.00 65.24 H new ATOM 0 HG1 THR A 87 5.147 -21.293 46.212 1.00 1.23 H new ATOM 0 HG21 THR A 87 5.216 -23.467 47.206 1.00 64.13 H new ATOM 0 HG22 THR A 87 4.468 -24.797 46.291 1.00 64.13 H new ATOM 0 HG23 THR A 87 5.993 -24.075 45.725 1.00 64.13 H new ATOM 1346 N GLY A 88 6.104 -22.733 42.998 1.00 61.42 N ATOM 1347 CA GLY A 88 7.391 -22.954 42.368 1.00 23.00 C ATOM 1348 C GLY A 88 8.097 -21.659 42.017 1.00 61.32 C ATOM 1349 O GLY A 88 9.150 -21.348 42.572 1.00 11.31 O ATOM 0 H GLY A 88 5.874 -21.754 43.171 1.00 61.42 H new ATOM 0 HA2 GLY A 88 8.023 -23.539 43.036 1.00 23.00 H new ATOM 0 HA3 GLY A 88 7.252 -23.545 41.463 1.00 23.00 H new ATOM 1353 N TYR A 89 7.515 -20.904 41.092 1.00 75.33 N ATOM 1354 CA TYR A 89 8.096 -19.636 40.664 1.00 31.00 C ATOM 1355 C TYR A 89 7.181 -18.469 41.023 1.00 2.11 C ATOM 1356 O TYR A 89 5.956 -18.583 40.962 1.00 10.14 O ATOM 1357 CB TYR A 89 8.354 -19.653 39.157 1.00 63.35 C ATOM 1358 CG TYR A 89 9.177 -18.481 38.670 1.00 22.31 C ATOM 1359 CD1 TYR A 89 8.672 -17.595 37.728 1.00 11.32 C ATOM 1360 CD2 TYR A 89 10.460 -18.261 39.154 1.00 75.11 C ATOM 1361 CE1 TYR A 89 9.420 -16.524 37.281 1.00 30.34 C ATOM 1362 CE2 TYR A 89 11.216 -17.191 38.714 1.00 50.14 C ATOM 1363 CZ TYR A 89 10.692 -16.326 37.777 1.00 73.01 C ATOM 1364 OH TYR A 89 11.441 -15.260 37.334 1.00 13.23 O ATOM 0 H TYR A 89 6.642 -21.147 40.624 1.00 75.33 H new ATOM 0 HA TYR A 89 9.044 -19.504 41.186 1.00 31.00 H new ATOM 0 HB2 TYR A 89 8.865 -20.579 38.895 1.00 63.35 H new ATOM 0 HB3 TYR A 89 7.398 -19.658 38.633 1.00 63.35 H new ATOM 0 HD1 TYR A 89 7.676 -17.746 37.338 1.00 11.32 H new ATOM 0 HD2 TYR A 89 10.874 -18.938 39.887 1.00 75.11 H new ATOM 0 HE1 TYR A 89 9.012 -15.845 36.547 1.00 30.34 H new ATOM 0 HE2 TYR A 89 12.212 -17.033 39.102 1.00 50.14 H new ATOM 0 HH TYR A 89 12.312 -15.263 37.783 1.00 13.23 H new ATOM 1374 N THR A 90 7.786 -17.345 41.396 1.00 63.13 N ATOM 1375 CA THR A 90 7.028 -16.156 41.765 1.00 73.03 C ATOM 1376 C THR A 90 6.800 -15.253 40.558 1.00 22.02 C ATOM 1377 O THR A 90 7.668 -15.125 39.693 1.00 3.25 O ATOM 1378 CB THR A 90 7.744 -15.352 42.866 1.00 65.23 C ATOM 1379 OG1 THR A 90 8.344 -16.244 43.812 1.00 50.24 O ATOM 1380 CG2 THR A 90 6.772 -14.426 43.580 1.00 14.03 C ATOM 0 H THR A 90 8.798 -17.234 41.450 1.00 63.13 H new ATOM 0 HA THR A 90 6.066 -16.500 42.145 1.00 73.03 H new ATOM 0 HB THR A 90 8.519 -14.746 42.397 1.00 65.23 H new ATOM 0 HG1 THR A 90 8.799 -15.725 44.508 1.00 50.24 H new ATOM 0 HG21 THR A 90 7.301 -13.869 44.353 1.00 14.03 H new ATOM 0 HG22 THR A 90 6.340 -13.729 42.862 1.00 14.03 H new ATOM 0 HG23 THR A 90 5.977 -15.015 44.037 1.00 14.03 H new TER 1388 THR A 90