USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 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 9 ASN : amide:sc= -0.607 K(o=-1.6,f=-0.14) USER MOD Set 1.2: A 71 ASN : amide:sc= -1.04 K(o=-1.6,f=-0.14) USER MOD Set 2.1: A 12 SER OG : rot -114:sc= 0.3 USER MOD Set 2.2: A 14 THR OG1 : rot -139:sc= 0.654 USER MOD Set 2.3: A 59 TYR OH : rot 180:sc= 0.279 USER MOD Set 3.1: A 6 THR OG1 : rot -140:sc= -0.0449 USER MOD Set 3.2: A 41 ASN : amide:sc= -0.255 K(o=-0.3,f=-0.88) USER MOD Set 4.1: A 27 THR OG1 : rot -140:sc= 0 USER MOD Set 4.2: A 50 SER OG : rot 180:sc= 0.152 USER MOD Single : A 0 HIS : no HD1:sc= -0.708 K(o=-0.71,f=-1.4) USER MOD Single : A 1 HIS : no HD1:sc= -0.0386 K(o=-0.039,f=-1) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 3 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.0091) USER MOD Single : A 4 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.014) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00668) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET N :NH3+ 156:sc= 0.713 (180deg=0.423) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0999) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00785 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 32 ASN : amide:sc= -0.851 X(o=-0.85,f=-0.81) USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.363 USER MOD Single : A 36 THR OG1 : rot 136:sc= 0.74 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= -0.0408 X(o=-0.041,f=0) 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 30:sc= -5.89! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 46:sc= 0.0094 USER MOD Single : A 65 LYS NZ :NH3+ -153:sc= -0.213 (180deg=-1.1) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc=-0.00492 X(o=-0.0049,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 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 -0.462 -4.442 -2.654 1.00 54.25 N ATOM 2 CA MET A -2 -1.850 -4.438 -2.205 1.00 24.12 C ATOM 3 C MET A -2 -2.345 -5.858 -1.955 1.00 52.04 C ATOM 4 O MET A -2 -1.711 -6.829 -2.369 1.00 72.11 O ATOM 5 CB MET A -2 -2.740 -3.750 -3.242 1.00 25.32 C ATOM 6 CG MET A -2 -2.734 -2.234 -3.139 1.00 3.42 C ATOM 7 SD MET A -2 -1.234 -1.498 -3.817 1.00 45.21 S ATOM 8 CE MET A -2 -1.899 -0.022 -4.583 1.00 34.12 C ATOM 0 H1 MET A -2 -0.268 -3.573 -3.191 1.00 54.25 H new ATOM 0 H2 MET A -2 0.170 -4.487 -1.829 1.00 54.25 H new ATOM 0 H3 MET A -2 -0.296 -5.269 -3.262 1.00 54.25 H new ATOM 0 HA MET A -2 -1.901 -3.885 -1.267 1.00 24.12 H new ATOM 0 HB2 MET A -2 -2.411 -4.039 -4.240 1.00 25.32 H new ATOM 0 HB3 MET A -2 -3.763 -4.110 -3.127 1.00 25.32 H new ATOM 0 HG2 MET A -2 -3.600 -1.834 -3.666 1.00 3.42 H new ATOM 0 HG3 MET A -2 -2.836 -1.944 -2.093 1.00 3.42 H new ATOM 0 HE1 MET A -2 -1.091 0.543 -5.048 1.00 34.12 H new ATOM 0 HE2 MET A -2 -2.628 -0.303 -5.342 1.00 34.12 H new ATOM 0 HE3 MET A -2 -2.383 0.594 -3.826 1.00 34.12 H new ATOM 18 N GLY A -1 -3.481 -5.973 -1.274 1.00 1.43 N ATOM 19 CA GLY A -1 -4.041 -7.280 -0.980 1.00 13.04 C ATOM 20 C GLY A -1 -5.555 -7.294 -1.064 1.00 33.14 C ATOM 21 O GLY A -1 -6.137 -8.133 -1.753 1.00 21.25 O ATOM 0 H GLY A -1 -4.024 -5.185 -0.921 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -3.635 -8.012 -1.678 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -3.733 -7.588 0.019 1.00 13.04 H new ATOM 25 N HIS A 0 -6.194 -6.365 -0.361 1.00 34.31 N ATOM 26 CA HIS A 0 -7.650 -6.275 -0.359 1.00 13.52 C ATOM 27 C HIS A 0 -8.105 -4.838 -0.123 1.00 25.41 C ATOM 28 O HIS A 0 -7.555 -4.133 0.725 1.00 53.23 O ATOM 29 CB HIS A 0 -8.237 -7.191 0.715 1.00 25.24 C ATOM 30 CG HIS A 0 -8.058 -8.649 0.422 1.00 1.03 C ATOM 31 ND1 HIS A 0 -6.951 -9.367 0.824 1.00 45.34 N ATOM 32 CD2 HIS A 0 -8.853 -9.524 -0.237 1.00 43.03 C ATOM 33 CE1 HIS A 0 -7.073 -10.620 0.424 1.00 10.13 C ATOM 34 NE2 HIS A 0 -8.219 -10.742 -0.222 1.00 75.12 N ATOM 0 H HIS A 0 -5.727 -5.664 0.214 1.00 34.31 H new ATOM 0 HA HIS A 0 -8.011 -6.596 -1.336 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -7.769 -6.961 1.672 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -9.301 -6.978 0.821 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -9.808 -9.305 -0.690 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -6.357 -11.410 0.596 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -8.575 -11.601 -0.641 1.00 75.12 H new ATOM 42 N HIS A 1 -9.111 -4.409 -0.878 1.00 21.22 N ATOM 43 CA HIS A 1 -9.641 -3.056 -0.750 1.00 52.03 C ATOM 44 C HIS A 1 -10.716 -2.992 0.329 1.00 62.11 C ATOM 45 O HIS A 1 -11.644 -3.803 0.344 1.00 54.41 O ATOM 46 CB HIS A 1 -10.213 -2.582 -2.086 1.00 31.50 C ATOM 47 CG HIS A 1 -11.249 -3.502 -2.655 1.00 2.14 C ATOM 48 ND1 HIS A 1 -10.938 -4.581 -3.457 1.00 14.01 N ATOM 49 CD2 HIS A 1 -12.597 -3.502 -2.532 1.00 4.13 C ATOM 50 CE1 HIS A 1 -12.051 -5.202 -3.804 1.00 32.44 C ATOM 51 NE2 HIS A 1 -13.071 -4.569 -3.255 1.00 32.12 N ATOM 0 H HIS A 1 -9.576 -4.979 -1.585 1.00 21.22 H new ATOM 0 HA HIS A 1 -8.822 -2.398 -0.460 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -10.651 -1.593 -1.954 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -9.399 -2.477 -2.803 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -13.189 -2.795 -1.970 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -12.116 -6.079 -4.431 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -14.052 -4.830 -3.352 1.00 32.12 H new ATOM 59 N HIS A 2 -10.586 -2.026 1.232 1.00 33.54 N ATOM 60 CA HIS A 2 -11.547 -1.856 2.316 1.00 24.03 C ATOM 61 C HIS A 2 -11.701 -3.150 3.112 1.00 63.52 C ATOM 62 O HIS A 2 -12.792 -3.715 3.193 1.00 4.20 O ATOM 63 CB HIS A 2 -12.903 -1.422 1.760 1.00 32.11 C ATOM 64 CG HIS A 2 -13.711 -0.605 2.720 1.00 2.22 C ATOM 65 ND1 HIS A 2 -13.285 0.607 3.221 1.00 55.23 N ATOM 66 CD2 HIS A 2 -14.927 -0.832 3.271 1.00 45.43 C ATOM 67 CE1 HIS A 2 -14.201 1.090 4.040 1.00 2.54 C ATOM 68 NE2 HIS A 2 -15.209 0.236 4.087 1.00 72.04 N ATOM 0 H HIS A 2 -9.824 -1.348 1.235 1.00 33.54 H new ATOM 0 HA HIS A 2 -11.172 -1.081 2.984 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -12.745 -0.845 0.849 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -13.473 -2.309 1.481 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -15.557 -1.692 3.101 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -14.138 2.023 4.579 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -16.058 0.352 4.640 1.00 72.04 H new ATOM 76 N HIS A 3 -10.601 -3.613 3.697 1.00 13.21 N ATOM 77 CA HIS A 3 -10.614 -4.839 4.487 1.00 42.42 C ATOM 78 C HIS A 3 -9.754 -4.689 5.738 1.00 63.20 C ATOM 79 O HIS A 3 -8.625 -4.201 5.673 1.00 2.02 O ATOM 80 CB HIS A 3 -10.114 -6.015 3.649 1.00 1.22 C ATOM 81 CG HIS A 3 -10.532 -7.352 4.182 1.00 65.11 C ATOM 82 ND1 HIS A 3 -9.647 -8.387 4.396 1.00 71.31 N ATOM 83 CD2 HIS A 3 -11.750 -7.818 4.545 1.00 41.43 C ATOM 84 CE1 HIS A 3 -10.303 -9.432 4.867 1.00 65.21 C ATOM 85 NE2 HIS A 3 -11.580 -9.113 4.967 1.00 12.34 N ATOM 0 H HIS A 3 -9.690 -3.158 3.639 1.00 13.21 H new ATOM 0 HA HIS A 3 -11.641 -5.032 4.795 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -10.485 -5.908 2.630 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -9.026 -5.977 3.598 1.00 1.22 H new ATOM 0 HD2 HIS A 3 -12.682 -7.273 4.509 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -9.868 -10.386 5.126 1.00 65.21 H new ATOM 0 HE2 HIS A 3 -12.320 -9.729 5.303 1.00 12.34 H new ATOM 93 N HIS A 4 -10.295 -5.110 6.877 1.00 40.35 N ATOM 94 CA HIS A 4 -9.577 -5.022 8.143 1.00 22.10 C ATOM 95 C HIS A 4 -9.137 -6.404 8.616 1.00 74.02 C ATOM 96 O HIS A 4 -9.644 -7.423 8.147 1.00 44.32 O ATOM 97 CB HIS A 4 -10.454 -4.362 9.207 1.00 1.30 C ATOM 98 CG HIS A 4 -11.621 -5.203 9.627 1.00 5.31 C ATOM 99 ND1 HIS A 4 -12.893 -5.031 9.123 1.00 64.23 N ATOM 100 CD2 HIS A 4 -11.702 -6.228 10.507 1.00 51.54 C ATOM 101 CE1 HIS A 4 -13.706 -5.913 9.676 1.00 54.22 C ATOM 102 NE2 HIS A 4 -13.008 -6.652 10.520 1.00 4.14 N ATOM 0 H HIS A 4 -11.228 -5.515 6.949 1.00 40.35 H new ATOM 0 HA HIS A 4 -8.688 -4.411 7.985 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -9.844 -4.139 10.082 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -10.822 -3.410 8.824 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -10.890 -6.637 11.091 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -14.762 -6.013 9.473 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -13.379 -7.413 11.089 1.00 4.14 H new ATOM 110 N HIS A 5 -8.188 -6.432 9.547 1.00 60.24 N ATOM 111 CA HIS A 5 -7.679 -7.689 10.083 1.00 11.12 C ATOM 112 C HIS A 5 -7.572 -7.629 11.603 1.00 33.24 C ATOM 113 O HIS A 5 -7.592 -6.549 12.195 1.00 12.22 O ATOM 114 CB HIS A 5 -6.313 -8.012 9.476 1.00 22.12 C ATOM 115 CG HIS A 5 -6.364 -8.310 8.009 1.00 33.15 C ATOM 116 ND1 HIS A 5 -6.364 -7.328 7.041 1.00 43.31 N ATOM 117 CD2 HIS A 5 -6.416 -9.489 7.347 1.00 2.04 C ATOM 118 CE1 HIS A 5 -6.415 -7.891 5.846 1.00 73.02 C ATOM 119 NE2 HIS A 5 -6.446 -9.202 6.004 1.00 44.41 N ATOM 0 H HIS A 5 -7.756 -5.598 9.946 1.00 60.24 H new ATOM 0 HA HIS A 5 -8.382 -8.479 9.817 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -5.642 -7.170 9.644 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -5.886 -8.869 9.998 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -6.431 -10.473 7.792 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -6.429 -7.368 4.901 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -6.486 -9.889 5.251 1.00 44.41 H new ATOM 127 N THR A 6 -7.460 -8.796 12.231 1.00 44.42 N ATOM 128 CA THR A 6 -7.351 -8.875 13.682 1.00 11.22 C ATOM 129 C THR A 6 -6.317 -9.914 14.100 1.00 23.31 C ATOM 130 O THR A 6 -5.936 -10.779 13.312 1.00 44.55 O ATOM 131 CB THR A 6 -8.705 -9.227 14.328 1.00 11.30 C ATOM 132 OG1 THR A 6 -8.614 -9.111 15.752 1.00 25.35 O ATOM 133 CG2 THR A 6 -9.132 -10.638 13.955 1.00 51.53 C ATOM 0 H THR A 6 -7.442 -9.699 11.757 1.00 44.42 H new ATOM 0 HA THR A 6 -7.035 -7.891 14.029 1.00 11.22 H new ATOM 0 HB THR A 6 -9.453 -8.528 13.955 1.00 11.30 H new ATOM 0 HG1 THR A 6 -9.108 -9.846 16.172 1.00 25.35 H new ATOM 0 HG21 THR A 6 -10.090 -10.864 14.423 1.00 51.53 H new ATOM 0 HG22 THR A 6 -9.230 -10.714 12.872 1.00 51.53 H new ATOM 0 HG23 THR A 6 -8.382 -11.349 14.303 1.00 51.53 H new ATOM 141 N LYS A 7 -5.865 -9.823 15.347 1.00 74.22 N ATOM 142 CA LYS A 7 -4.875 -10.756 15.872 1.00 52.34 C ATOM 143 C LYS A 7 -5.340 -11.354 17.195 1.00 44.13 C ATOM 144 O LYS A 7 -5.701 -10.631 18.122 1.00 11.03 O ATOM 145 CB LYS A 7 -3.531 -10.051 16.063 1.00 74.23 C ATOM 146 CG LYS A 7 -3.641 -8.713 16.772 1.00 71.23 C ATOM 147 CD LYS A 7 -2.272 -8.112 17.044 1.00 12.54 C ATOM 148 CE LYS A 7 -2.367 -6.624 17.347 1.00 45.02 C ATOM 149 NZ LYS A 7 -2.550 -5.817 16.109 1.00 71.41 N1+ ATOM 0 H LYS A 7 -6.169 -9.112 16.013 1.00 74.22 H new ATOM 0 HA LYS A 7 -4.755 -11.564 15.150 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -2.867 -10.701 16.633 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -3.068 -9.899 15.088 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -4.227 -8.025 16.163 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -4.176 -8.842 17.713 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -1.808 -8.627 17.885 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -1.627 -8.268 16.180 1.00 12.54 H new ATOM 0 HE2 LYS A 7 -3.201 -6.444 18.025 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -1.463 -6.300 17.862 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 -2.559 -4.806 16.352 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 -1.767 -6.008 15.451 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 -3.451 -6.073 15.658 1.00 71.41 H new ATOM 163 N GLY A 8 -5.328 -12.682 17.277 1.00 4.54 N ATOM 164 CA GLY A 8 -5.749 -13.354 18.492 1.00 1.12 C ATOM 165 C GLY A 8 -7.241 -13.235 18.733 1.00 12.44 C ATOM 166 O GLY A 8 -7.769 -12.131 18.864 1.00 42.34 O ATOM 0 H GLY A 8 -5.034 -13.303 16.523 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -5.476 -14.408 18.434 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -5.212 -12.932 19.342 1.00 1.12 H new ATOM 170 N ASN A 9 -7.922 -14.375 18.791 1.00 51.20 N ATOM 171 CA ASN A 9 -9.364 -14.392 19.016 1.00 63.11 C ATOM 172 C ASN A 9 -9.771 -15.614 19.833 1.00 4.24 C ATOM 173 O ASN A 9 -9.397 -16.742 19.512 1.00 20.25 O ATOM 174 CB ASN A 9 -10.110 -14.387 17.680 1.00 62.31 C ATOM 175 CG ASN A 9 -11.566 -14.779 17.829 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.090 -15.576 17.049 1.00 73.41 O ATOM 177 ND2 ASN A 9 -12.229 -14.221 18.836 1.00 54.03 N ATOM 0 H ASN A 9 -7.500 -15.298 18.686 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.630 -13.496 19.576 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -10.048 -13.393 17.236 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.620 -15.075 16.991 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -13.212 -14.448 18.987 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.755 -13.566 19.458 1.00 54.03 H new ATOM 184 N VAL A 10 -10.541 -15.382 20.892 1.00 11.42 N ATOM 185 CA VAL A 10 -11.002 -16.464 21.755 1.00 24.54 C ATOM 186 C VAL A 10 -12.523 -16.485 21.843 1.00 65.31 C ATOM 187 O VAL A 10 -13.160 -15.450 22.044 1.00 73.33 O ATOM 188 CB VAL A 10 -10.417 -16.337 23.174 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.935 -17.454 24.067 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.897 -16.343 23.126 1.00 42.41 C ATOM 0 H VAL A 10 -10.859 -14.454 21.173 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.654 -17.396 21.309 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.740 -15.386 23.598 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.511 -17.348 25.065 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -12.022 -17.398 24.127 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.644 -18.418 23.650 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.501 -16.252 24.137 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.551 -17.277 22.683 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.549 -15.504 22.523 1.00 42.41 H new ATOM 200 N THR A 11 -13.103 -17.672 21.694 1.00 10.10 N ATOM 201 CA THR A 11 -14.550 -17.830 21.756 1.00 34.03 C ATOM 202 C THR A 11 -14.940 -18.954 22.709 1.00 20.04 C ATOM 203 O THR A 11 -14.083 -19.685 23.205 1.00 73.43 O ATOM 204 CB THR A 11 -15.144 -18.122 20.365 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.383 -19.145 19.712 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.158 -16.867 19.508 1.00 3.03 C ATOM 0 H THR A 11 -12.591 -18.539 21.529 1.00 10.10 H new ATOM 0 HA THR A 11 -14.955 -16.888 22.125 1.00 34.03 H new ATOM 0 HB THR A 11 -16.171 -18.463 20.497 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.768 -19.326 18.829 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.582 -17.098 18.531 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.763 -16.101 19.994 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.139 -16.500 19.384 1.00 3.03 H new ATOM 214 N SER A 12 -16.239 -19.086 22.961 1.00 72.20 N ATOM 215 CA SER A 12 -16.742 -20.119 23.859 1.00 63.13 C ATOM 216 C SER A 12 -17.032 -21.408 23.095 1.00 64.31 C ATOM 217 O SER A 12 -17.318 -21.383 21.897 1.00 41.10 O ATOM 218 CB SER A 12 -18.009 -19.637 24.567 1.00 31.13 C ATOM 219 OG SER A 12 -18.054 -20.102 25.905 1.00 24.24 O ATOM 0 H SER A 12 -16.962 -18.491 22.556 1.00 72.20 H new ATOM 0 HA SER A 12 -15.974 -20.323 24.605 1.00 63.13 H new ATOM 0 HB2 SER A 12 -18.043 -18.548 24.556 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.888 -19.989 24.027 1.00 31.13 H new ATOM 0 HG SER A 12 -18.798 -20.731 26.008 1.00 24.24 H new ATOM 225 N LYS A 13 -16.956 -22.534 23.796 1.00 44.22 N ATOM 226 CA LYS A 13 -17.211 -23.834 23.186 1.00 60.22 C ATOM 227 C LYS A 13 -18.674 -24.233 23.347 1.00 54.30 C ATOM 228 O LYS A 13 -19.034 -25.398 23.176 1.00 2.34 O ATOM 229 CB LYS A 13 -16.308 -24.900 23.812 1.00 51.22 C ATOM 230 CG LYS A 13 -15.899 -25.995 22.844 1.00 2.31 C ATOM 231 CD LYS A 13 -14.776 -26.848 23.409 1.00 13.33 C ATOM 232 CE LYS A 13 -13.848 -27.347 22.312 1.00 53.45 C ATOM 233 NZ LYS A 13 -14.593 -28.056 21.235 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.720 -22.573 24.788 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.989 -23.758 22.122 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.411 -24.420 24.204 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.825 -25.350 24.659 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.760 -26.626 22.622 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.580 -25.549 21.902 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -14.205 -26.267 24.133 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -15.198 -27.698 23.945 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -13.306 -26.504 21.884 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -13.105 -28.019 22.742 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -13.922 -28.567 20.627 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -15.259 -28.732 21.661 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -15.120 -27.364 20.664 1.00 51.21 H new ATOM 247 N THR A 14 -19.515 -23.258 23.679 1.00 41.41 N ATOM 248 CA THR A 14 -20.940 -23.508 23.864 1.00 75.14 C ATOM 249 C THR A 14 -21.717 -23.233 22.581 1.00 53.42 C ATOM 250 O THR A 14 -22.385 -24.118 22.047 1.00 1.11 O ATOM 251 CB THR A 14 -21.519 -22.642 24.997 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.588 -21.614 25.354 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.836 -23.491 26.219 1.00 0.42 C ATOM 0 H THR A 14 -19.234 -22.288 23.825 1.00 41.41 H new ATOM 0 HA THR A 14 -21.045 -24.560 24.131 1.00 75.14 H new ATOM 0 HB THR A 14 -22.443 -22.187 24.640 1.00 22.31 H new ATOM 0 HG1 THR A 14 -20.575 -21.508 26.328 1.00 34.11 H new ATOM 0 HG21 THR A 14 -22.244 -22.857 27.006 1.00 0.42 H new ATOM 0 HG22 THR A 14 -22.567 -24.254 25.952 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.924 -23.971 26.575 1.00 0.42 H new ATOM 261 N ASP A 15 -21.624 -22.001 22.092 1.00 13.30 N ATOM 262 CA ASP A 15 -22.318 -21.609 20.870 1.00 3.24 C ATOM 263 C ASP A 15 -21.325 -21.166 19.800 1.00 54.23 C ATOM 264 O ASP A 15 -21.602 -21.259 18.605 1.00 30.21 O ATOM 265 CB ASP A 15 -23.311 -20.483 21.160 1.00 34.54 C ATOM 266 CG ASP A 15 -24.650 -21.003 21.646 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.664 -21.803 22.605 1.00 25.13 O ATOM 268 OD2 ASP A 15 -25.685 -20.611 21.067 1.00 72.52 O1- ATOM 0 H ASP A 15 -21.075 -21.257 22.523 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.864 -22.476 20.497 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.889 -19.815 21.911 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -23.460 -19.892 20.256 1.00 34.54 H new ATOM 273 N GLY A 16 -20.168 -20.681 20.239 1.00 45.50 N ATOM 274 CA GLY A 16 -19.152 -20.228 19.306 1.00 13.14 C ATOM 275 C GLY A 16 -19.053 -18.717 19.244 1.00 50.04 C ATOM 276 O GLY A 16 -18.692 -18.155 18.211 1.00 53.34 O ATOM 0 H GLY A 16 -19.916 -20.594 21.223 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.186 -20.640 19.597 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.377 -20.615 18.312 1.00 13.14 H new ATOM 280 N GLN A 17 -19.378 -18.059 20.352 1.00 15.14 N ATOM 281 CA GLN A 17 -19.326 -16.603 20.418 1.00 71.43 C ATOM 282 C GLN A 17 -18.025 -16.133 21.062 1.00 32.32 C ATOM 283 O GLN A 17 -17.349 -16.880 21.770 1.00 12.20 O ATOM 284 CB GLN A 17 -20.521 -16.064 21.205 1.00 54.31 C ATOM 285 CG GLN A 17 -21.702 -15.678 20.329 1.00 63.40 C ATOM 286 CD GLN A 17 -22.970 -15.445 21.128 1.00 73.24 C ATOM 287 OE1 GLN A 17 -23.637 -16.392 21.546 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.309 -14.180 21.345 1.00 74.15 N ATOM 0 H GLN A 17 -19.680 -18.510 21.216 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.366 -16.217 19.399 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.843 -16.819 21.923 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.205 -15.193 21.779 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.456 -14.774 19.773 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -21.878 -16.465 19.596 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -22.727 -13.426 20.980 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -24.152 -13.962 21.877 1.00 74.15 H new ATOM 297 N PRO A 18 -17.664 -14.866 20.810 1.00 51.11 N ATOM 298 CA PRO A 18 -16.443 -14.267 21.355 1.00 61.23 C ATOM 299 C PRO A 18 -16.526 -14.048 22.862 1.00 5.35 C ATOM 300 O PRO A 18 -17.598 -13.764 23.398 1.00 41.13 O ATOM 301 CB PRO A 18 -16.347 -12.927 20.623 1.00 11.54 C ATOM 302 CG PRO A 18 -17.750 -12.602 20.245 1.00 0.34 C ATOM 303 CD PRO A 18 -18.422 -13.920 19.975 1.00 14.12 C ATOM 0 HA PRO A 18 -15.575 -14.910 21.210 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.921 -12.155 21.264 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.707 -13.001 19.744 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.255 -12.063 21.047 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.778 -11.962 19.363 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.477 -13.897 20.250 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.373 -14.187 18.919 1.00 14.12 H new ATOM 311 N ILE A 19 -15.391 -14.181 23.538 1.00 51.31 N ATOM 312 CA ILE A 19 -15.338 -13.996 24.984 1.00 72.32 C ATOM 313 C ILE A 19 -14.884 -12.584 25.340 1.00 61.13 C ATOM 314 O ILE A 19 -13.765 -12.180 25.019 1.00 31.30 O ATOM 315 CB ILE A 19 -14.388 -15.010 25.646 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.683 -16.424 25.142 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.516 -14.945 27.161 1.00 24.05 C ATOM 318 CD1 ILE A 19 -16.097 -16.881 25.421 1.00 75.31 C ATOM 0 H ILE A 19 -14.496 -14.416 23.109 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.348 -14.157 25.361 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.363 -14.755 25.376 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.502 -16.463 24.068 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.986 -17.120 25.608 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.838 -15.668 27.615 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -14.261 -13.943 27.505 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.541 -15.178 27.450 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.235 -17.892 25.036 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.276 -16.874 26.496 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.800 -16.207 24.932 1.00 75.31 H new ATOM 330 N ILE A 20 -15.758 -11.838 26.006 1.00 0.14 N ATOM 331 CA ILE A 20 -15.448 -10.471 26.408 1.00 33.25 C ATOM 332 C ILE A 20 -15.074 -10.406 27.885 1.00 4.43 C ATOM 333 O ILE A 20 -15.547 -11.204 28.692 1.00 31.01 O ATOM 334 CB ILE A 20 -16.633 -9.524 26.147 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.168 -9.720 24.727 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.212 -8.078 26.365 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.401 -8.897 24.427 1.00 42.20 C ATOM 0 H ILE A 20 -16.688 -12.157 26.279 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.599 -10.149 25.805 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.431 -9.761 26.851 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.386 -9.461 24.014 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.400 -10.775 24.577 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.060 -7.420 26.177 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -15.873 -7.949 27.393 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.400 -7.828 25.682 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.725 -9.086 23.403 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.199 -9.172 25.117 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.169 -7.838 24.544 1.00 42.20 H new ATOM 349 N GLY A 21 -14.221 -9.446 28.232 1.00 4.13 N ATOM 350 CA GLY A 21 -13.800 -9.291 29.613 1.00 62.52 C ATOM 351 C GLY A 21 -12.995 -10.476 30.108 1.00 10.52 C ATOM 352 O GLY A 21 -13.249 -10.996 31.194 1.00 13.11 O ATOM 0 H GLY A 21 -13.814 -8.773 27.582 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.203 -8.384 29.708 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.678 -9.162 30.246 1.00 62.52 H new ATOM 356 N ALA A 22 -12.022 -10.905 29.310 1.00 14.24 N ATOM 357 CA ALA A 22 -11.178 -12.036 29.675 1.00 24.05 C ATOM 358 C ALA A 22 -9.888 -11.565 30.339 1.00 13.45 C ATOM 359 O ALA A 22 -9.480 -10.414 30.181 1.00 23.13 O ATOM 360 CB ALA A 22 -10.865 -12.877 28.447 1.00 63.11 C ATOM 0 H ALA A 22 -11.799 -10.486 28.407 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.723 -12.649 30.393 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.234 -13.718 28.733 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.794 -13.250 28.015 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.343 -12.266 27.711 1.00 63.11 H new ATOM 366 N SER A 23 -9.250 -12.463 31.084 1.00 20.43 N ATOM 367 CA SER A 23 -8.009 -12.139 31.777 1.00 45.41 C ATOM 368 C SER A 23 -6.814 -12.783 31.080 1.00 32.33 C ATOM 369 O SER A 23 -6.618 -13.997 31.153 1.00 40.44 O ATOM 370 CB SER A 23 -8.076 -12.602 33.232 1.00 52.44 C ATOM 371 OG SER A 23 -8.626 -11.594 34.063 1.00 21.24 O ATOM 0 H SER A 23 -9.573 -13.421 31.223 1.00 20.43 H new ATOM 0 HA SER A 23 -7.881 -11.057 31.754 1.00 45.41 H new ATOM 0 HB2 SER A 23 -8.681 -13.506 33.302 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.076 -12.860 33.581 1.00 52.44 H new ATOM 0 HG SER A 23 -8.660 -11.915 34.988 1.00 21.24 H new ATOM 377 N VAL A 24 -6.018 -11.962 30.404 1.00 70.10 N ATOM 378 CA VAL A 24 -4.841 -12.450 29.694 1.00 11.40 C ATOM 379 C VAL A 24 -3.559 -11.940 30.341 1.00 21.15 C ATOM 380 O VAL A 24 -3.410 -10.744 30.593 1.00 75.44 O ATOM 381 CB VAL A 24 -4.861 -12.024 28.214 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.790 -12.767 27.430 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.237 -12.261 27.610 1.00 64.12 C ATOM 0 H VAL A 24 -6.166 -10.955 30.333 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.866 -13.538 29.751 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.644 -10.957 28.158 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.819 -12.453 26.387 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.810 -12.541 27.849 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.973 -13.840 27.491 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.233 -11.954 26.564 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.486 -13.320 27.677 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -6.979 -11.679 28.156 1.00 64.12 H new ATOM 393 N VAL A 25 -2.632 -12.855 30.608 1.00 54.40 N ATOM 394 CA VAL A 25 -1.360 -12.500 31.225 1.00 74.22 C ATOM 395 C VAL A 25 -0.232 -13.384 30.708 1.00 74.52 C ATOM 396 O VAL A 25 -0.439 -14.562 30.414 1.00 52.34 O ATOM 397 CB VAL A 25 -1.428 -12.616 32.759 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.590 -11.802 33.306 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.544 -14.074 33.177 1.00 31.03 C ATOM 0 H VAL A 25 -2.739 -13.849 30.406 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.157 -11.464 30.956 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.506 -12.213 33.178 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.621 -11.897 34.391 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.459 -10.754 33.037 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.524 -12.171 32.882 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.591 -14.138 34.264 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.449 -14.504 32.749 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.675 -14.626 32.818 1.00 31.03 H new ATOM 409 N GLU A 26 0.963 -12.811 30.602 1.00 60.03 N ATOM 410 CA GLU A 26 2.124 -13.549 30.120 1.00 2.03 C ATOM 411 C GLU A 26 2.730 -14.398 31.234 1.00 74.12 C ATOM 412 O GLU A 26 2.305 -14.325 32.387 1.00 32.34 O ATOM 413 CB GLU A 26 3.177 -12.584 29.569 1.00 54.12 C ATOM 414 CG GLU A 26 3.317 -12.633 28.057 1.00 11.04 C ATOM 415 CD GLU A 26 4.208 -13.767 27.591 1.00 42.11 C ATOM 416 OE1 GLU A 26 4.288 -13.994 26.365 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.828 -14.427 28.452 1.00 73.20 O1- ATOM 0 H GLU A 26 1.152 -11.838 30.843 1.00 60.03 H new ATOM 0 HA GLU A 26 1.795 -14.212 29.320 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.919 -11.568 29.869 1.00 54.12 H new ATOM 0 HB3 GLU A 26 4.141 -12.815 30.022 1.00 54.12 H new ATOM 0 HG2 GLU A 26 2.330 -12.743 27.608 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.725 -11.686 27.703 1.00 11.04 H new ATOM 424 N THR A 27 3.725 -15.205 30.880 1.00 32.44 N ATOM 425 CA THR A 27 4.388 -16.070 31.847 1.00 21.42 C ATOM 426 C THR A 27 5.207 -15.256 32.843 1.00 43.23 C ATOM 427 O THR A 27 5.201 -15.533 34.042 1.00 52.43 O ATOM 428 CB THR A 27 5.312 -17.088 31.151 1.00 43.33 C ATOM 429 OG1 THR A 27 6.243 -16.404 30.305 1.00 43.23 O ATOM 430 CG2 THR A 27 4.502 -18.078 30.328 1.00 11.11 C ATOM 0 H THR A 27 4.089 -15.277 29.930 1.00 32.44 H new ATOM 0 HA THR A 27 3.603 -16.608 32.379 1.00 21.42 H new ATOM 0 HB THR A 27 5.856 -17.638 31.919 1.00 43.33 H new ATOM 0 HG1 THR A 27 6.358 -16.907 29.472 1.00 43.23 H new ATOM 0 HG21 THR A 27 5.175 -18.787 29.846 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.814 -18.617 30.980 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.935 -17.541 29.567 1.00 11.11 H new ATOM 438 N THR A 28 5.911 -14.247 32.337 1.00 30.42 N ATOM 439 CA THR A 28 6.735 -13.392 33.182 1.00 4.41 C ATOM 440 C THR A 28 6.173 -11.977 33.247 1.00 13.12 C ATOM 441 O THR A 28 6.453 -11.229 34.184 1.00 64.00 O ATOM 442 CB THR A 28 8.188 -13.332 32.673 1.00 64.03 C ATOM 443 OG1 THR A 28 8.203 -13.120 31.257 1.00 63.55 O ATOM 444 CG2 THR A 28 8.931 -14.618 33.006 1.00 20.21 C ATOM 0 H THR A 28 5.927 -14.003 31.347 1.00 30.42 H new ATOM 0 HA THR A 28 6.725 -13.830 34.180 1.00 4.41 H new ATOM 0 HB THR A 28 8.690 -12.501 33.169 1.00 64.03 H new ATOM 0 HG1 THR A 28 9.130 -13.081 30.942 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.955 -14.553 32.637 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.943 -14.762 34.086 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.428 -15.462 32.533 1.00 20.21 H new ATOM 452 N ALA A 29 5.378 -11.614 32.246 1.00 21.15 N ATOM 453 CA ALA A 29 4.774 -10.289 32.191 1.00 63.21 C ATOM 454 C ALA A 29 3.293 -10.345 32.551 1.00 61.33 C ATOM 455 O ALA A 29 2.427 -10.273 31.679 1.00 2.51 O ATOM 456 CB ALA A 29 4.960 -9.681 30.809 1.00 62.41 C ATOM 0 H ALA A 29 5.137 -12.220 31.462 1.00 21.15 H new ATOM 0 HA ALA A 29 5.276 -9.658 32.924 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.504 -8.691 30.782 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.024 -9.596 30.589 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.485 -10.319 30.064 1.00 62.41 H new ATOM 462 N THR A 30 3.007 -10.476 33.843 1.00 64.05 N ATOM 463 CA THR A 30 1.632 -10.543 34.319 1.00 52.03 C ATOM 464 C THR A 30 1.062 -9.150 34.557 1.00 44.32 C ATOM 465 O THR A 30 -0.118 -8.899 34.311 1.00 33.44 O ATOM 466 CB THR A 30 1.527 -11.358 35.622 1.00 73.01 C ATOM 467 OG1 THR A 30 2.539 -10.938 36.544 1.00 1.52 O ATOM 468 CG2 THR A 30 1.674 -12.847 35.344 1.00 41.22 C ATOM 0 H THR A 30 3.711 -10.538 34.579 1.00 64.05 H new ATOM 0 HA THR A 30 1.053 -11.040 33.540 1.00 52.03 H new ATOM 0 HB THR A 30 0.543 -11.182 36.056 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.465 -11.459 37.371 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.596 -13.401 36.279 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.885 -13.170 34.664 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.646 -13.038 34.889 1.00 41.22 H new ATOM 476 N THR A 31 1.909 -8.244 35.036 1.00 20.21 N ATOM 477 CA THR A 31 1.490 -6.874 35.308 1.00 74.23 C ATOM 478 C THR A 31 0.944 -6.207 34.051 1.00 5.21 C ATOM 479 O THR A 31 0.098 -5.317 34.127 1.00 44.33 O ATOM 480 CB THR A 31 2.655 -6.030 35.859 1.00 70.21 C ATOM 481 OG1 THR A 31 3.888 -6.447 35.262 1.00 65.04 O ATOM 482 CG2 THR A 31 2.749 -6.160 37.372 1.00 32.33 C ATOM 0 H THR A 31 2.889 -8.434 35.244 1.00 20.21 H new ATOM 0 HA THR A 31 0.702 -6.927 36.059 1.00 74.23 H new ATOM 0 HB THR A 31 2.467 -4.985 35.611 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.623 -5.904 35.616 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.579 -5.555 37.738 1.00 32.33 H new ATOM 0 HG22 THR A 31 1.820 -5.814 37.825 1.00 32.33 H new ATOM 0 HG23 THR A 31 2.916 -7.204 37.638 1.00 32.33 H new ATOM 490 N ASN A 32 1.433 -6.644 32.894 1.00 33.34 N ATOM 491 CA ASN A 32 0.992 -6.088 31.620 1.00 52.15 C ATOM 492 C ASN A 32 -0.136 -6.924 31.024 1.00 70.20 C ATOM 493 O ASN A 32 -0.270 -7.023 29.804 1.00 25.25 O ATOM 494 CB ASN A 32 2.164 -6.017 30.639 1.00 21.20 C ATOM 495 CG ASN A 32 3.472 -5.672 31.325 1.00 12.02 C ATOM 496 OD1 ASN A 32 3.497 -4.908 32.289 1.00 74.30 O ATOM 497 ND2 ASN A 32 4.566 -6.235 30.827 1.00 53.21 N ATOM 0 H ASN A 32 2.134 -7.381 32.813 1.00 33.34 H new ATOM 0 HA ASN A 32 0.617 -5.081 31.801 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.266 -6.975 30.129 1.00 21.20 H new ATOM 0 HB3 ASN A 32 1.950 -5.270 29.875 1.00 21.20 H new ATOM 0 HD21 ASN A 32 5.476 -6.040 31.245 1.00 53.21 H new ATOM 0 HD22 ASN A 32 4.497 -6.863 30.026 1.00 53.21 H new ATOM 504 N GLY A 33 -0.945 -7.522 31.891 1.00 61.22 N ATOM 505 CA GLY A 33 -2.052 -8.340 31.431 1.00 53.12 C ATOM 506 C GLY A 33 -3.043 -7.558 30.594 1.00 52.44 C ATOM 507 O GLY A 33 -3.311 -6.386 30.865 1.00 13.13 O ATOM 0 H GLY A 33 -0.854 -7.455 32.905 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.665 -9.174 30.845 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.566 -8.767 32.292 1.00 53.12 H new ATOM 511 N THR A 34 -3.590 -8.205 29.568 1.00 73.43 N ATOM 512 CA THR A 34 -4.555 -7.561 28.686 1.00 24.51 C ATOM 513 C THR A 34 -5.906 -8.264 28.742 1.00 64.20 C ATOM 514 O THR A 34 -5.998 -9.417 29.163 1.00 40.52 O ATOM 515 CB THR A 34 -4.058 -7.544 27.228 1.00 43.53 C ATOM 516 OG1 THR A 34 -2.661 -7.231 27.190 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.833 -6.526 26.404 1.00 1.21 C ATOM 0 H THR A 34 -3.381 -9.174 29.328 1.00 73.43 H new ATOM 0 HA THR A 34 -4.668 -6.535 29.036 1.00 24.51 H new ATOM 0 HB THR A 34 -4.220 -8.534 26.801 1.00 43.53 H new ATOM 0 HG1 THR A 34 -2.453 -6.766 26.353 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.465 -6.532 25.378 1.00 1.21 H new ATOM 0 HG22 THR A 34 -5.892 -6.783 26.411 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.698 -5.533 26.832 1.00 1.21 H new ATOM 525 N ILE A 35 -6.951 -7.563 28.315 1.00 53.35 N ATOM 526 CA ILE A 35 -8.297 -8.122 28.316 1.00 41.13 C ATOM 527 C ILE A 35 -8.845 -8.236 26.897 1.00 31.20 C ATOM 528 O ILE A 35 -8.507 -7.438 26.023 1.00 21.21 O ATOM 529 CB ILE A 35 -9.261 -7.268 29.160 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.177 -5.799 28.740 1.00 3.53 C ATOM 531 CG2 ILE A 35 -8.945 -7.420 30.641 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.430 -5.011 29.048 1.00 62.41 C ATOM 0 H ILE A 35 -6.891 -6.607 27.964 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.226 -9.116 28.757 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.279 -7.618 28.988 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.331 -5.333 29.245 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -8.978 -5.746 27.670 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.635 -6.810 31.225 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.051 -8.466 30.930 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -7.923 -7.093 30.830 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.300 -3.979 28.724 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.276 -5.453 28.522 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.619 -5.033 30.121 1.00 62.41 H new ATOM 544 N THR A 36 -9.696 -9.233 26.676 1.00 11.05 N ATOM 545 CA THR A 36 -10.293 -9.451 25.365 1.00 11.35 C ATOM 546 C THR A 36 -11.293 -8.352 25.025 1.00 20.04 C ATOM 547 O THR A 36 -11.915 -7.770 25.914 1.00 42.14 O ATOM 548 CB THR A 36 -11.004 -10.816 25.290 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.815 -11.009 26.454 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.993 -11.947 25.178 1.00 55.34 C ATOM 0 H THR A 36 -9.987 -9.902 27.389 1.00 11.05 H new ATOM 0 HA THR A 36 -9.478 -9.433 24.642 1.00 11.35 H new ATOM 0 HB THR A 36 -11.635 -10.824 24.401 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.684 -11.376 26.190 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.518 -12.901 25.127 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.395 -11.813 24.276 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.340 -11.939 26.051 1.00 55.34 H new ATOM 558 N ASP A 37 -11.443 -8.073 23.735 1.00 12.13 N ATOM 559 CA ASP A 37 -12.370 -7.044 23.279 1.00 12.53 C ATOM 560 C ASP A 37 -13.784 -7.601 23.157 1.00 15.53 C ATOM 561 O ASP A 37 -14.041 -8.754 23.506 1.00 0.31 O ATOM 562 CB ASP A 37 -11.914 -6.479 21.932 1.00 5.44 C ATOM 563 CG ASP A 37 -10.699 -5.582 22.062 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.328 -4.935 21.060 1.00 11.40 O ATOM 565 OD2 ASP A 37 -10.119 -5.525 23.167 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.935 -8.545 22.987 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.377 -6.243 24.018 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.684 -7.302 21.255 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.731 -5.916 21.482 1.00 5.44 H new ATOM 570 N PHE A 38 -14.700 -6.775 22.662 1.00 33.31 N ATOM 571 CA PHE A 38 -16.090 -7.185 22.497 1.00 53.25 C ATOM 572 C PHE A 38 -16.193 -8.403 21.584 1.00 61.41 C ATOM 573 O PHE A 38 -17.095 -9.228 21.732 1.00 72.12 O ATOM 574 CB PHE A 38 -16.918 -6.033 21.925 1.00 35.41 C ATOM 575 CG PHE A 38 -18.376 -6.108 22.279 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.265 -6.797 21.470 1.00 64.43 C ATOM 577 CD2 PHE A 38 -18.857 -5.490 23.422 1.00 13.51 C ATOM 578 CE1 PHE A 38 -20.607 -6.869 21.795 1.00 20.23 C ATOM 579 CE2 PHE A 38 -20.197 -5.558 23.752 1.00 23.43 C ATOM 580 CZ PHE A 38 -21.073 -6.248 22.937 1.00 34.05 C ATOM 0 H PHE A 38 -14.505 -5.818 22.368 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.483 -7.454 23.478 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.512 -5.089 22.289 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -16.816 -6.027 20.840 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -18.906 -7.283 20.575 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -18.176 -4.949 24.063 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -21.290 -7.410 21.157 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -20.559 -5.072 24.646 1.00 23.43 H new ATOM 0 HZ PHE A 38 -22.121 -6.302 23.193 1.00 34.05 H new ATOM 590 N ASP A 39 -15.264 -8.509 20.641 1.00 22.51 N ATOM 591 CA ASP A 39 -15.248 -9.627 19.704 1.00 30.24 C ATOM 592 C ASP A 39 -14.238 -10.685 20.137 1.00 3.40 C ATOM 593 O ASP A 39 -13.775 -11.484 19.325 1.00 20.40 O ATOM 594 CB ASP A 39 -14.917 -9.133 18.295 1.00 73.22 C ATOM 595 CG ASP A 39 -15.937 -8.141 17.774 1.00 23.23 C ATOM 596 OD1 ASP A 39 -17.138 -8.313 18.071 1.00 51.04 O ATOM 597 OD2 ASP A 39 -15.536 -7.191 17.070 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.511 -7.834 20.505 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.240 -10.079 19.698 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.931 -8.668 18.299 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -14.865 -9.985 17.617 1.00 73.22 H new ATOM 602 N GLY A 40 -13.900 -10.682 21.423 1.00 73.03 N ATOM 603 CA GLY A 40 -12.946 -11.646 21.940 1.00 73.43 C ATOM 604 C GLY A 40 -11.570 -11.487 21.327 1.00 75.31 C ATOM 605 O GLY A 40 -10.813 -12.451 21.223 1.00 64.34 O ATOM 0 H GLY A 40 -14.269 -10.030 22.115 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -12.873 -11.536 23.022 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.312 -12.654 21.746 1.00 73.43 H new ATOM 609 N ASN A 41 -11.244 -10.264 20.916 1.00 12.43 N ATOM 610 CA ASN A 41 -9.951 -9.983 20.306 1.00 23.51 C ATOM 611 C ASN A 41 -9.087 -9.131 21.231 1.00 23.24 C ATOM 612 O ASN A 41 -9.540 -8.116 21.760 1.00 21.02 O ATOM 613 CB ASN A 41 -10.139 -9.269 18.965 1.00 52.24 C ATOM 614 CG ASN A 41 -11.078 -10.018 18.039 1.00 71.23 C ATOM 615 OD1 ASN A 41 -11.211 -11.239 18.127 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.735 -9.287 17.146 1.00 22.41 N ATOM 0 H ASN A 41 -11.858 -9.454 20.995 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.444 -10.933 20.136 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -10.530 -8.267 19.141 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -9.170 -9.152 18.479 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -12.381 -9.735 16.497 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -11.593 -8.278 17.110 1.00 22.41 H new ATOM 623 N PHE A 42 -7.841 -9.551 21.422 1.00 71.21 N ATOM 624 CA PHE A 42 -6.913 -8.827 22.283 1.00 52.03 C ATOM 625 C PHE A 42 -5.606 -8.534 21.552 1.00 31.22 C ATOM 626 O PHE A 42 -5.346 -9.080 20.479 1.00 60.33 O ATOM 627 CB PHE A 42 -6.631 -9.631 23.554 1.00 2.54 C ATOM 628 CG PHE A 42 -6.265 -11.064 23.287 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.938 -11.454 23.220 1.00 24.02 C ATOM 630 CD2 PHE A 42 -7.251 -12.020 23.103 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.600 -12.771 22.975 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.919 -13.339 22.858 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.590 -13.715 22.794 1.00 22.53 C ATOM 0 H PHE A 42 -7.450 -10.389 20.992 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.375 -7.878 22.556 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.820 -9.154 24.104 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.512 -9.603 24.196 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.158 -10.720 23.361 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -8.291 -11.731 23.152 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.561 -13.062 22.925 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.697 -14.075 22.717 1.00 3.45 H new ATOM 0 HZ PHE A 42 -5.327 -14.745 22.603 1.00 22.53 H new ATOM 643 N THR A 43 -4.787 -7.667 22.139 1.00 70.14 N ATOM 644 CA THR A 43 -3.509 -7.300 21.543 1.00 1.25 C ATOM 645 C THR A 43 -2.408 -7.244 22.597 1.00 72.34 C ATOM 646 O THR A 43 -2.478 -6.457 23.542 1.00 32.41 O ATOM 647 CB THR A 43 -3.593 -5.936 20.831 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.298 -5.553 20.353 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.129 -4.867 21.771 1.00 0.43 C ATOM 0 H THR A 43 -4.986 -7.206 23.027 1.00 70.14 H new ATOM 0 HA THR A 43 -3.268 -8.070 20.810 1.00 1.25 H new ATOM 0 HB THR A 43 -4.277 -6.032 19.988 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.360 -4.686 19.900 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.179 -3.913 21.246 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.126 -5.148 22.110 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.466 -4.773 22.631 1.00 0.43 H new ATOM 657 N LEU A 44 -1.391 -8.082 22.428 1.00 30.33 N ATOM 658 CA LEU A 44 -0.273 -8.128 23.364 1.00 30.51 C ATOM 659 C LEU A 44 1.021 -8.501 22.648 1.00 15.23 C ATOM 660 O LEU A 44 1.216 -9.652 22.258 1.00 43.42 O ATOM 661 CB LEU A 44 -0.560 -9.131 24.481 1.00 2.24 C ATOM 662 CG LEU A 44 -0.054 -8.748 25.873 1.00 41.34 C ATOM 663 CD1 LEU A 44 -0.314 -9.873 26.863 1.00 14.32 C ATOM 664 CD2 LEU A 44 1.428 -8.407 25.827 1.00 72.23 C ATOM 0 H LEU A 44 -1.318 -8.739 21.651 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.152 -7.136 23.798 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.638 -9.283 24.537 1.00 2.24 H new ATOM 0 HB3 LEU A 44 -0.117 -10.088 24.206 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.599 -7.865 26.207 1.00 41.34 H new ATOM 0 HD11 LEU A 44 0.052 -9.583 27.848 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -1.385 -10.069 26.918 1.00 14.32 H new ATOM 0 HD13 LEU A 44 0.204 -10.774 26.534 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.770 -8.137 26.826 1.00 72.23 H new ATOM 0 HD22 LEU A 44 1.989 -9.271 25.472 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.587 -7.568 25.150 1.00 72.23 H new ATOM 676 N SER A 45 1.903 -7.520 22.482 1.00 73.42 N ATOM 677 CA SER A 45 3.179 -7.746 21.813 1.00 30.11 C ATOM 678 C SER A 45 4.327 -7.741 22.817 1.00 54.45 C ATOM 679 O SER A 45 4.535 -6.764 23.537 1.00 53.14 O ATOM 680 CB SER A 45 3.415 -6.675 20.746 1.00 12.24 C ATOM 681 OG SER A 45 4.774 -6.645 20.346 1.00 52.35 O ATOM 0 H SER A 45 1.757 -6.562 22.801 1.00 73.42 H new ATOM 0 HA SER A 45 3.142 -8.725 21.334 1.00 30.11 H new ATOM 0 HB2 SER A 45 2.782 -6.873 19.881 1.00 12.24 H new ATOM 0 HB3 SER A 45 3.126 -5.699 21.136 1.00 12.24 H new ATOM 0 HG SER A 45 4.899 -5.954 19.663 1.00 52.35 H new ATOM 687 N VAL A 46 5.073 -8.841 22.860 1.00 11.02 N ATOM 688 CA VAL A 46 6.201 -8.965 23.775 1.00 13.10 C ATOM 689 C VAL A 46 7.504 -9.184 23.012 1.00 41.33 C ATOM 690 O VAL A 46 7.516 -9.668 21.880 1.00 34.03 O ATOM 691 CB VAL A 46 5.997 -10.127 24.765 1.00 71.43 C ATOM 692 CG1 VAL A 46 5.019 -9.729 25.859 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.515 -11.371 24.034 1.00 21.52 C ATOM 0 H VAL A 46 4.916 -9.659 22.271 1.00 11.02 H new ATOM 0 HA VAL A 46 6.261 -8.030 24.333 1.00 13.10 H new ATOM 0 HB VAL A 46 6.955 -10.357 25.232 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.887 -10.562 26.549 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.410 -8.867 26.400 1.00 64.43 H new ATOM 0 HG13 VAL A 46 4.058 -9.472 25.412 1.00 64.43 H new ATOM 0 HG21 VAL A 46 5.376 -12.182 24.749 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.568 -11.158 23.539 1.00 21.52 H new ATOM 0 HG23 VAL A 46 6.255 -11.666 23.290 1.00 21.52 H new ATOM 703 N PRO A 47 8.628 -8.823 23.648 1.00 12.13 N ATOM 704 CA PRO A 47 9.958 -8.971 23.049 1.00 2.21 C ATOM 705 C PRO A 47 10.380 -10.432 22.928 1.00 41.24 C ATOM 706 O PRO A 47 10.834 -10.872 21.873 1.00 33.23 O ATOM 707 CB PRO A 47 10.872 -8.230 24.027 1.00 32.44 C ATOM 708 CG PRO A 47 10.155 -8.283 25.332 1.00 60.01 C ATOM 709 CD PRO A 47 8.689 -8.241 24.999 1.00 52.01 C ATOM 0 HA PRO A 47 9.993 -8.580 22.032 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.850 -8.707 24.093 1.00 32.44 H new ATOM 0 HB3 PRO A 47 11.040 -7.201 23.709 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.405 -9.192 25.879 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.436 -7.442 25.966 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.099 -8.817 25.712 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.303 -7.222 25.015 1.00 52.01 H new ATOM 717 N VAL A 48 10.225 -11.180 24.017 1.00 62.33 N ATOM 718 CA VAL A 48 10.588 -12.591 24.033 1.00 40.41 C ATOM 719 C VAL A 48 9.447 -13.458 23.514 1.00 23.10 C ATOM 720 O VAL A 48 8.275 -13.112 23.662 1.00 71.24 O ATOM 721 CB VAL A 48 10.969 -13.057 25.451 1.00 11.01 C ATOM 722 CG1 VAL A 48 11.537 -14.468 25.416 1.00 61.40 C ATOM 723 CG2 VAL A 48 11.961 -12.091 26.081 1.00 30.33 C ATOM 0 H VAL A 48 9.850 -10.831 24.899 1.00 62.33 H new ATOM 0 HA VAL A 48 11.452 -12.703 23.378 1.00 40.41 H new ATOM 0 HB VAL A 48 10.068 -13.069 26.064 1.00 11.01 H new ATOM 0 HG11 VAL A 48 11.800 -14.779 26.427 1.00 61.40 H new ATOM 0 HG12 VAL A 48 10.791 -15.150 25.009 1.00 61.40 H new ATOM 0 HG13 VAL A 48 12.427 -14.486 24.787 1.00 61.40 H new ATOM 0 HG21 VAL A 48 12.219 -12.436 27.082 1.00 30.33 H new ATOM 0 HG22 VAL A 48 12.862 -12.045 25.470 1.00 30.33 H new ATOM 0 HG23 VAL A 48 11.514 -11.099 26.143 1.00 30.33 H new ATOM 733 N ASN A 49 9.797 -14.587 22.907 1.00 53.04 N ATOM 734 CA ASN A 49 8.801 -15.505 22.366 1.00 3.42 C ATOM 735 C ASN A 49 8.493 -16.621 23.360 1.00 15.14 C ATOM 736 O ASN A 49 8.816 -17.784 23.122 1.00 41.55 O ATOM 737 CB ASN A 49 9.292 -16.103 21.047 1.00 63.41 C ATOM 738 CG ASN A 49 9.232 -15.109 19.904 1.00 20.23 C ATOM 739 OD1 ASN A 49 10.254 -14.780 19.299 1.00 0.21 O ATOM 740 ND2 ASN A 49 8.033 -14.624 19.602 1.00 2.13 N ATOM 0 H ASN A 49 10.763 -14.888 22.777 1.00 53.04 H new ATOM 0 HA ASN A 49 7.885 -14.942 22.184 1.00 3.42 H new ATOM 0 HB2 ASN A 49 10.318 -16.451 21.169 1.00 63.41 H new ATOM 0 HB3 ASN A 49 8.687 -16.975 20.799 1.00 63.41 H new ATOM 0 HD21 ASN A 49 7.932 -13.951 18.842 1.00 2.13 H new ATOM 0 HD22 ASN A 49 7.214 -14.925 20.130 1.00 2.13 H new ATOM 747 N SER A 50 7.866 -16.257 24.474 1.00 44.25 N ATOM 748 CA SER A 50 7.516 -17.227 25.506 1.00 32.14 C ATOM 749 C SER A 50 6.045 -17.616 25.410 1.00 64.13 C ATOM 750 O SER A 50 5.365 -17.288 24.436 1.00 43.22 O ATOM 751 CB SER A 50 7.815 -16.656 26.894 1.00 24.20 C ATOM 752 OG SER A 50 7.995 -17.693 27.844 1.00 2.44 O ATOM 0 H SER A 50 7.590 -15.298 24.685 1.00 44.25 H new ATOM 0 HA SER A 50 8.120 -18.121 25.350 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.712 -16.038 26.851 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.997 -16.008 27.208 1.00 24.20 H new ATOM 0 HG SER A 50 8.186 -17.302 28.722 1.00 2.44 H new ATOM 758 N THR A 51 5.557 -18.320 26.426 1.00 5.13 N ATOM 759 CA THR A 51 4.167 -18.757 26.458 1.00 65.34 C ATOM 760 C THR A 51 3.269 -17.690 27.074 1.00 50.11 C ATOM 761 O THR A 51 3.747 -16.772 27.742 1.00 60.11 O ATOM 762 CB THR A 51 4.007 -20.067 27.252 1.00 55.53 C ATOM 763 OG1 THR A 51 5.218 -20.828 27.189 1.00 72.33 O ATOM 764 CG2 THR A 51 2.852 -20.893 26.704 1.00 1.44 C ATOM 0 H THR A 51 6.105 -18.600 27.239 1.00 5.13 H new ATOM 0 HA THR A 51 3.867 -18.929 25.424 1.00 65.34 H new ATOM 0 HB THR A 51 3.791 -19.814 28.290 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.109 -21.659 27.698 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.758 -21.814 27.280 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.927 -20.321 26.780 1.00 1.44 H new ATOM 0 HG23 THR A 51 3.043 -21.137 25.659 1.00 1.44 H new ATOM 772 N LEU A 52 1.967 -17.815 26.846 1.00 33.00 N ATOM 773 CA LEU A 52 1.001 -16.861 27.380 1.00 60.43 C ATOM 774 C LEU A 52 -0.140 -17.582 28.092 1.00 61.44 C ATOM 775 O LEU A 52 -0.719 -18.528 27.559 1.00 62.04 O ATOM 776 CB LEU A 52 0.444 -15.986 26.256 1.00 25.32 C ATOM 777 CG LEU A 52 1.118 -14.627 26.066 1.00 24.22 C ATOM 778 CD1 LEU A 52 1.622 -14.475 24.639 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.155 -13.500 26.416 1.00 44.14 C ATOM 0 H LEU A 52 1.555 -18.568 26.295 1.00 33.00 H new ATOM 0 HA LEU A 52 1.514 -16.228 28.104 1.00 60.43 H new ATOM 0 HB2 LEU A 52 0.519 -16.540 25.320 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.617 -15.820 26.444 1.00 25.32 H new ATOM 0 HG LEU A 52 1.973 -14.570 26.739 1.00 24.22 H new ATOM 0 HD11 LEU A 52 2.099 -13.502 24.523 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.345 -15.261 24.423 1.00 0.43 H new ATOM 0 HD13 LEU A 52 0.784 -14.553 23.947 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.652 -12.540 26.275 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -0.720 -13.555 25.768 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -0.157 -13.598 27.456 1.00 44.14 H new ATOM 791 N LYS A 53 -0.459 -17.126 29.299 1.00 74.15 N ATOM 792 CA LYS A 53 -1.532 -17.723 30.084 1.00 74.21 C ATOM 793 C LYS A 53 -2.801 -16.881 30.000 1.00 31.10 C ATOM 794 O LYS A 53 -2.780 -15.681 30.275 1.00 13.00 O ATOM 795 CB LYS A 53 -1.101 -17.872 31.545 1.00 14.13 C ATOM 796 CG LYS A 53 -2.193 -18.419 32.448 1.00 13.04 C ATOM 797 CD LYS A 53 -1.659 -18.749 33.832 1.00 71.31 C ATOM 798 CE LYS A 53 -2.022 -17.671 34.841 1.00 44.24 C ATOM 799 NZ LYS A 53 -0.930 -17.445 35.828 1.00 24.22 N1+ ATOM 0 H LYS A 53 0.011 -16.344 29.755 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.744 -18.710 29.672 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.235 -18.533 31.594 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.782 -16.900 31.922 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -2.997 -17.688 32.532 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.622 -19.315 32.000 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.063 -19.707 34.160 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.575 -18.858 33.789 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.236 -16.740 34.316 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.933 -17.957 35.366 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -1.216 -16.703 36.498 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -0.743 -18.327 36.347 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -0.067 -17.147 35.329 1.00 24.22 H new ATOM 813 N ILE A 54 -3.904 -17.517 29.619 1.00 64.31 N ATOM 814 CA ILE A 54 -5.182 -16.826 29.502 1.00 34.23 C ATOM 815 C ILE A 54 -6.249 -17.495 30.362 1.00 24.45 C ATOM 816 O ILE A 54 -6.525 -18.686 30.214 1.00 52.53 O ATOM 817 CB ILE A 54 -5.667 -16.784 28.041 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.504 -16.453 27.103 1.00 50.32 C ATOM 819 CG2 ILE A 54 -6.787 -15.766 27.885 1.00 55.33 C ATOM 820 CD1 ILE A 54 -3.873 -17.673 26.470 1.00 73.40 C ATOM 0 H ILE A 54 -3.938 -18.509 29.386 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.023 -15.806 29.853 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.055 -17.767 27.774 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.860 -15.788 26.316 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -3.742 -15.908 27.660 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.120 -15.747 26.847 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.622 -16.042 28.529 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -6.423 -14.778 28.167 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.056 -17.363 25.818 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -3.486 -18.329 27.250 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -4.621 -18.208 25.885 1.00 73.40 H new ATOM 832 N THR A 55 -6.850 -16.720 31.260 1.00 53.10 N ATOM 833 CA THR A 55 -7.888 -17.238 32.142 1.00 62.11 C ATOM 834 C THR A 55 -9.206 -16.503 31.929 1.00 50.41 C ATOM 835 O THR A 55 -9.222 -15.309 31.632 1.00 11.34 O ATOM 836 CB THR A 55 -7.478 -17.115 33.622 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.359 -15.735 33.985 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.160 -17.827 33.881 1.00 13.32 C ATOM 0 H THR A 55 -6.636 -15.732 31.395 1.00 53.10 H new ATOM 0 HA THR A 55 -8.018 -18.291 31.894 1.00 62.11 H new ATOM 0 HB THR A 55 -8.252 -17.585 34.229 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.100 -15.666 34.928 1.00 12.50 H new ATOM 0 HG21 THR A 55 -5.892 -17.726 34.933 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.262 -18.883 33.633 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.379 -17.383 33.263 1.00 13.32 H new ATOM 846 N TYR A 56 -10.311 -17.224 32.084 1.00 11.42 N ATOM 847 CA TYR A 56 -11.636 -16.641 31.907 1.00 11.02 C ATOM 848 C TYR A 56 -12.531 -16.949 33.102 1.00 62.40 C ATOM 849 O TYR A 56 -12.327 -17.939 33.807 1.00 41.44 O ATOM 850 CB TYR A 56 -12.280 -17.168 30.623 1.00 44.12 C ATOM 851 CG TYR A 56 -11.402 -17.027 29.402 1.00 65.43 C ATOM 852 CD1 TYR A 56 -10.360 -17.915 29.163 1.00 22.43 C ATOM 853 CD2 TYR A 56 -11.614 -16.004 28.485 1.00 4.15 C ATOM 854 CE1 TYR A 56 -9.554 -17.788 28.049 1.00 32.34 C ATOM 855 CE2 TYR A 56 -10.814 -15.872 27.366 1.00 41.03 C ATOM 856 CZ TYR A 56 -9.785 -16.765 27.153 1.00 31.42 C ATOM 857 OH TYR A 56 -8.986 -16.636 26.040 1.00 41.25 O ATOM 0 H TYR A 56 -10.315 -18.213 32.332 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.522 -15.560 31.831 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.533 -18.220 30.759 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.215 -16.635 30.451 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -10.177 -18.719 29.861 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -12.417 -15.301 28.650 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -8.747 -18.486 27.880 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -10.994 -15.073 26.662 1.00 41.03 H new ATOM 0 HH TYR A 56 -8.661 -17.519 25.766 1.00 41.25 H new ATOM 867 N ILE A 57 -13.523 -16.093 33.326 1.00 62.21 N ATOM 868 CA ILE A 57 -14.451 -16.273 34.435 1.00 35.22 C ATOM 869 C ILE A 57 -15.670 -17.083 34.006 1.00 41.02 C ATOM 870 O ILE A 57 -16.522 -16.597 33.264 1.00 74.23 O ATOM 871 CB ILE A 57 -14.922 -14.921 35.002 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.983 -15.137 36.082 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.465 -14.040 33.886 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.514 -16.010 37.224 1.00 34.03 C ATOM 0 H ILE A 57 -13.704 -15.268 32.754 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.911 -16.815 35.212 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.069 -14.416 35.455 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.289 -14.169 36.478 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -16.865 -15.589 35.628 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.794 -13.088 34.302 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.682 -13.863 33.149 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.308 -14.538 33.407 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.318 -16.120 37.952 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.235 -16.992 36.841 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -14.651 -15.549 37.704 1.00 34.03 H new ATOM 886 N GLY A 58 -15.747 -18.324 34.480 1.00 41.22 N ATOM 887 CA GLY A 58 -16.866 -19.181 34.136 1.00 34.45 C ATOM 888 C GLY A 58 -16.423 -20.487 33.507 1.00 45.03 C ATOM 889 O GLY A 58 -16.839 -21.564 33.936 1.00 23.42 O ATOM 0 H GLY A 58 -15.054 -18.750 35.096 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.447 -19.392 35.033 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.525 -18.654 33.446 1.00 34.45 H new ATOM 893 N TYR A 59 -15.580 -20.393 32.484 1.00 61.23 N ATOM 894 CA TYR A 59 -15.085 -21.576 31.792 1.00 30.13 C ATOM 895 C TYR A 59 -13.629 -21.852 32.156 1.00 1.25 C ATOM 896 O TYR A 59 -12.974 -21.037 32.806 1.00 60.34 O ATOM 897 CB TYR A 59 -15.218 -21.400 30.278 1.00 42.25 C ATOM 898 CG TYR A 59 -16.648 -21.439 29.787 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.073 -22.425 28.905 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.573 -20.489 30.203 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.379 -22.464 28.454 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.880 -20.522 29.758 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.278 -21.511 28.884 1.00 4.31 C ATOM 904 OH TYR A 59 -20.579 -21.545 28.436 1.00 24.41 O ATOM 0 H TYR A 59 -15.226 -19.510 32.116 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.687 -22.428 32.107 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.770 -20.449 29.990 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.650 -22.184 29.778 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.371 -23.173 28.566 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.264 -19.711 30.886 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.694 -23.237 27.768 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.586 -19.777 30.093 1.00 61.12 H new ATOM 0 HH TYR A 59 -21.082 -20.804 28.835 1.00 24.41 H new ATOM 914 N LYS A 60 -13.129 -23.008 31.734 1.00 52.23 N ATOM 915 CA LYS A 60 -11.751 -23.393 32.013 1.00 72.32 C ATOM 916 C LYS A 60 -10.772 -22.489 31.270 1.00 51.35 C ATOM 917 O LYS A 60 -11.039 -22.021 30.163 1.00 73.04 O ATOM 918 CB LYS A 60 -11.517 -24.852 31.614 1.00 13.13 C ATOM 919 CG LYS A 60 -11.817 -25.843 32.726 1.00 75.30 C ATOM 920 CD LYS A 60 -10.866 -27.027 32.690 1.00 4.44 C ATOM 921 CE LYS A 60 -10.755 -27.694 34.053 1.00 2.10 C ATOM 922 NZ LYS A 60 -9.681 -27.083 34.883 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.658 -23.695 31.197 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.579 -23.283 33.084 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.139 -25.088 30.751 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.480 -24.972 31.302 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -11.740 -25.342 33.691 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -12.844 -26.197 32.632 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.215 -27.753 31.956 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -9.880 -26.694 32.365 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.708 -27.613 34.576 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -10.552 -28.757 33.922 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -9.637 -27.565 35.804 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -8.767 -27.182 34.396 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -9.887 -26.074 35.030 1.00 3.41 H new ATOM 936 N PRO A 61 -9.610 -22.237 31.891 1.00 20.42 N ATOM 937 CA PRO A 61 -8.567 -21.389 31.306 1.00 52.34 C ATOM 938 C PRO A 61 -7.896 -22.043 30.104 1.00 43.11 C ATOM 939 O PRO A 61 -8.187 -23.190 29.765 1.00 71.32 O ATOM 940 CB PRO A 61 -7.565 -21.218 32.451 1.00 12.55 C ATOM 941 CG PRO A 61 -7.764 -22.419 33.311 1.00 64.21 C ATOM 942 CD PRO A 61 -9.224 -22.762 33.212 1.00 62.33 C ATOM 0 HA PRO A 61 -8.969 -20.448 30.930 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.542 -21.164 32.077 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.751 -20.298 33.006 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.144 -23.249 32.972 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.481 -22.211 34.343 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.390 -23.837 33.281 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.801 -22.299 34.013 1.00 62.33 H new ATOM 950 N VAL A 62 -6.995 -21.306 29.462 1.00 41.12 N ATOM 951 CA VAL A 62 -6.280 -21.815 28.298 1.00 22.22 C ATOM 952 C VAL A 62 -4.890 -21.198 28.193 1.00 13.54 C ATOM 953 O VAL A 62 -4.697 -20.019 28.493 1.00 74.11 O ATOM 954 CB VAL A 62 -7.054 -21.532 26.996 1.00 23.31 C ATOM 955 CG1 VAL A 62 -8.471 -22.079 27.087 1.00 24.54 C ATOM 956 CG2 VAL A 62 -7.068 -20.041 26.697 1.00 33.21 C ATOM 0 H VAL A 62 -6.743 -20.354 29.729 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.187 -22.893 28.431 1.00 22.22 H new ATOM 0 HB VAL A 62 -6.546 -22.039 26.175 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -9.002 -21.870 26.158 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.435 -23.156 27.250 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -8.992 -21.603 27.918 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.619 -19.860 25.774 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -7.550 -19.510 27.518 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.045 -19.683 26.585 1.00 33.21 H new ATOM 966 N THR A 63 -3.922 -22.002 27.765 1.00 11.33 N ATOM 967 CA THR A 63 -2.548 -21.537 27.621 1.00 11.40 C ATOM 968 C THR A 63 -2.052 -21.721 26.192 1.00 54.21 C ATOM 969 O THR A 63 -2.210 -22.790 25.602 1.00 35.44 O ATOM 970 CB THR A 63 -1.600 -22.279 28.581 1.00 13.53 C ATOM 971 OG1 THR A 63 -1.865 -23.686 28.542 1.00 22.11 O ATOM 972 CG2 THR A 63 -1.761 -21.768 30.005 1.00 60.11 C ATOM 0 H THR A 63 -4.064 -22.980 27.512 1.00 11.33 H new ATOM 0 HA THR A 63 -2.546 -20.476 27.869 1.00 11.40 H new ATOM 0 HB THR A 63 -0.576 -22.093 28.259 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.949 -23.977 27.610 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.081 -22.307 30.664 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.530 -20.703 30.038 1.00 60.11 H new ATOM 0 HG23 THR A 63 -2.788 -21.927 30.335 1.00 60.11 H new ATOM 980 N VAL A 64 -1.451 -20.673 25.639 1.00 54.51 N ATOM 981 CA VAL A 64 -0.930 -20.719 24.279 1.00 53.21 C ATOM 982 C VAL A 64 0.230 -19.747 24.100 1.00 13.32 C ATOM 983 O VAL A 64 0.354 -18.768 24.838 1.00 10.04 O ATOM 984 CB VAL A 64 -2.024 -20.391 23.246 1.00 74.21 C ATOM 985 CG1 VAL A 64 -2.985 -21.560 23.097 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.769 -19.125 23.645 1.00 14.45 C ATOM 0 H VAL A 64 -1.313 -19.780 26.113 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.576 -21.736 24.112 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.549 -20.217 22.281 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -3.751 -21.310 22.363 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -2.437 -22.441 22.764 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.457 -21.768 24.057 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.539 -18.907 22.905 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.234 -19.269 24.620 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.069 -18.291 23.696 1.00 14.45 H new ATOM 996 N LYS A 65 1.079 -20.020 23.115 1.00 23.50 N ATOM 997 CA LYS A 65 2.229 -19.168 22.838 1.00 33.44 C ATOM 998 C LYS A 65 1.817 -17.946 22.021 1.00 51.13 C ATOM 999 O LYS A 65 0.824 -17.980 21.295 1.00 14.12 O ATOM 1000 CB LYS A 65 3.305 -19.957 22.087 1.00 53.40 C ATOM 1001 CG LYS A 65 4.135 -20.857 22.985 1.00 44.43 C ATOM 1002 CD LYS A 65 3.534 -22.249 23.088 1.00 43.14 C ATOM 1003 CE LYS A 65 4.019 -23.152 21.964 1.00 1.42 C ATOM 1004 NZ LYS A 65 3.153 -23.051 20.758 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.992 -20.825 22.495 1.00 23.50 H new ATOM 0 HA LYS A 65 2.635 -18.827 23.790 1.00 33.44 H new ATOM 0 HB2 LYS A 65 2.828 -20.565 21.318 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.967 -19.258 21.576 1.00 53.40 H new ATOM 0 HG2 LYS A 65 5.150 -20.926 22.594 1.00 44.43 H new ATOM 0 HG3 LYS A 65 4.205 -20.416 23.979 1.00 44.43 H new ATOM 0 HD2 LYS A 65 3.798 -22.690 24.049 1.00 43.14 H new ATOM 0 HD3 LYS A 65 2.447 -22.180 23.057 1.00 43.14 H new ATOM 0 HE2 LYS A 65 5.042 -22.885 21.700 1.00 1.42 H new ATOM 0 HE3 LYS A 65 4.039 -24.185 22.311 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 3.201 -23.940 20.221 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 2.170 -22.875 21.050 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 3.482 -22.267 20.159 1.00 70.32 H new ATOM 1018 N ALA A 66 2.587 -16.870 22.145 1.00 25.33 N ATOM 1019 CA ALA A 66 2.304 -15.640 21.416 1.00 72.41 C ATOM 1020 C ALA A 66 2.424 -15.855 19.910 1.00 62.14 C ATOM 1021 O ALA A 66 3.525 -15.997 19.380 1.00 13.22 O ATOM 1022 CB ALA A 66 3.241 -14.530 21.869 1.00 71.52 C ATOM 0 H ALA A 66 3.412 -16.825 22.744 1.00 25.33 H new ATOM 0 HA ALA A 66 1.278 -15.345 21.634 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.018 -13.617 21.316 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.104 -14.351 22.935 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.273 -14.826 21.680 1.00 71.52 H new ATOM 1028 N ALA A 67 1.283 -15.877 19.228 1.00 60.43 N ATOM 1029 CA ALA A 67 1.262 -16.072 17.784 1.00 33.34 C ATOM 1030 C ALA A 67 0.392 -15.023 17.101 1.00 63.13 C ATOM 1031 O ALA A 67 -0.468 -14.408 17.733 1.00 55.04 O ATOM 1032 CB ALA A 67 0.765 -17.471 17.447 1.00 32.31 C ATOM 0 H ALA A 67 0.363 -15.762 19.652 1.00 60.43 H new ATOM 0 HA ALA A 67 2.281 -15.960 17.413 1.00 33.34 H new ATOM 0 HB1 ALA A 67 0.755 -17.603 16.365 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.428 -18.211 17.896 1.00 32.31 H new ATOM 0 HB3 ALA A 67 -0.244 -17.603 17.838 1.00 32.31 H new ATOM 1038 N ALA A 68 0.620 -14.822 15.807 1.00 60.23 N ATOM 1039 CA ALA A 68 -0.144 -13.847 15.039 1.00 73.13 C ATOM 1040 C ALA A 68 -1.643 -14.090 15.179 1.00 2.42 C ATOM 1041 O ALA A 68 -2.392 -13.196 15.574 1.00 53.41 O ATOM 1042 CB ALA A 68 0.265 -13.891 13.574 1.00 13.31 C ATOM 0 H ALA A 68 1.328 -15.322 15.269 1.00 60.23 H new ATOM 0 HA ALA A 68 0.076 -12.856 15.437 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.314 -13.158 13.012 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.327 -13.660 13.486 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.075 -14.887 13.173 1.00 13.31 H new ATOM 1048 N ILE A 69 -2.073 -15.304 14.853 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.483 -15.664 14.942 1.00 43.13 C ATOM 1050 C ILE A 69 -3.677 -16.917 15.789 1.00 23.51 C ATOM 1051 O ILE A 69 -2.994 -17.923 15.595 1.00 14.30 O ATOM 1052 CB ILE A 69 -4.094 -15.900 13.549 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.881 -14.673 12.660 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.576 -16.223 13.668 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -4.338 -14.874 11.232 1.00 23.11 C ATOM 0 H ILE A 69 -1.466 -16.055 14.525 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.993 -14.825 15.415 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.592 -16.751 13.088 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.417 -13.826 13.089 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.822 -14.413 12.661 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.994 -16.387 12.675 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.705 -17.123 14.269 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -6.093 -15.390 14.146 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -4.156 -13.964 10.660 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.784 -15.700 10.785 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -5.403 -15.104 11.220 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.615 -16.851 16.728 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.902 -17.981 17.604 1.00 74.42 C ATOM 1069 C VAL A 70 -6.395 -18.084 17.898 1.00 52.51 C ATOM 1070 O VAL A 70 -7.007 -17.137 18.391 1.00 11.54 O ATOM 1071 CB VAL A 70 -4.134 -17.870 18.934 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -4.307 -19.137 19.759 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -2.661 -17.589 18.678 1.00 74.33 C ATOM 0 H VAL A 70 -5.190 -16.026 16.902 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.576 -18.879 17.079 1.00 74.42 H new ATOM 0 HB VAL A 70 -4.546 -17.036 19.502 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.757 -19.040 20.695 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -5.365 -19.290 19.974 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -3.923 -19.990 19.200 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.134 -17.514 19.629 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -2.233 -18.400 18.089 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -2.559 -16.651 18.132 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.975 -19.240 17.592 1.00 53.23 N ATOM 1084 CA ASN A 71 -8.397 -19.466 17.824 1.00 11.52 C ATOM 1085 C ASN A 71 -8.612 -20.634 18.782 1.00 55.40 C ATOM 1086 O ASN A 71 -8.380 -21.790 18.431 1.00 31.34 O ATOM 1087 CB ASN A 71 -9.113 -19.739 16.500 1.00 53.52 C ATOM 1088 CG ASN A 71 -9.191 -18.506 15.621 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -8.834 -18.548 14.443 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.660 -17.403 16.190 1.00 50.40 N ATOM 0 H ASN A 71 -6.483 -20.034 17.183 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.814 -18.566 18.276 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.591 -20.532 15.964 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -10.121 -20.102 16.703 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.737 -16.542 15.648 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.944 -17.416 17.170 1.00 50.40 H new ATOM 1097 N VAL A 72 -9.058 -20.323 19.995 1.00 51.53 N ATOM 1098 CA VAL A 72 -9.308 -21.345 21.004 1.00 24.20 C ATOM 1099 C VAL A 72 -10.732 -21.255 21.537 1.00 31.43 C ATOM 1100 O VAL A 72 -11.316 -20.172 21.600 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.322 -21.224 22.182 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.493 -22.389 23.143 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.891 -21.148 21.672 1.00 24.11 C ATOM 0 H VAL A 72 -9.254 -19.370 20.303 1.00 51.53 H new ATOM 0 HA VAL A 72 -9.166 -22.310 20.518 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.540 -20.303 22.723 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.788 -22.286 23.968 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.511 -22.392 23.533 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -8.303 -23.325 22.618 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.208 -21.063 22.517 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.658 -22.050 21.106 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.781 -20.276 21.027 1.00 24.11 H new ATOM 1113 N LEU A 73 -11.289 -22.399 21.922 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.646 -22.451 22.452 1.00 72.02 C ATOM 1115 C LEU A 73 -12.633 -22.614 23.968 1.00 3.23 C ATOM 1116 O LEU A 73 -11.771 -23.296 24.523 1.00 44.43 O ATOM 1117 CB LEU A 73 -13.422 -23.603 21.809 1.00 3.23 C ATOM 1118 CG LEU A 73 -13.498 -23.591 20.283 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -12.339 -24.372 19.684 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -14.827 -24.163 19.811 1.00 64.32 C ATOM 0 H LEU A 73 -10.820 -23.304 21.876 1.00 10.54 H new ATOM 0 HA LEU A 73 -13.140 -21.510 22.211 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -12.966 -24.542 22.123 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -14.438 -23.595 22.204 1.00 3.23 H new ATOM 0 HG LEU A 73 -13.427 -22.558 19.944 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -12.410 -24.352 18.597 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -11.397 -23.920 19.994 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.378 -25.404 20.031 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -14.864 -24.147 18.722 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -14.926 -25.190 20.162 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -15.644 -23.562 20.211 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.596 -21.984 24.633 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.697 -22.060 26.086 1.00 22.25 C ATOM 1134 C LEU A 74 -14.546 -23.255 26.511 1.00 10.24 C ATOM 1135 O LEU A 74 -15.727 -23.340 26.177 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.300 -20.770 26.643 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.486 -20.063 27.727 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -12.075 -19.777 27.234 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.173 -18.776 28.157 1.00 34.41 C ATOM 0 H LEU A 74 -14.317 -21.415 24.189 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.692 -22.189 26.489 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.448 -20.075 25.816 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.286 -20.998 27.048 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.420 -20.722 28.592 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.510 -19.274 28.019 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.582 -20.715 26.977 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.120 -19.138 26.352 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.579 -18.287 28.929 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.271 -18.111 27.299 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.162 -19.006 28.552 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.934 -24.176 27.249 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.634 -25.366 27.720 1.00 73.42 C ATOM 1153 C GLU A 75 -15.087 -25.194 29.167 1.00 44.11 C ATOM 1154 O GLU A 75 -14.297 -24.820 30.034 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.734 -26.596 27.598 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.339 -26.389 28.165 1.00 21.34 C ATOM 1157 CD GLU A 75 -11.883 -27.547 29.031 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -12.699 -28.041 29.838 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -10.712 -27.960 28.902 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.956 -24.121 27.533 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.516 -25.508 27.096 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -14.206 -27.433 28.113 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.652 -26.873 26.547 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -11.634 -26.254 27.345 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -12.323 -25.472 28.754 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.362 -25.470 29.419 1.00 14.42 N ATOM 1167 CA GLU A 76 -16.920 -25.343 30.760 1.00 55.40 C ATOM 1168 C GLU A 76 -16.021 -26.024 31.789 1.00 52.44 C ATOM 1169 O GLU A 76 -15.367 -27.025 31.493 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.324 -25.951 30.813 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.497 -27.161 29.911 1.00 75.12 C ATOM 1172 CD GLU A 76 -17.376 -28.171 30.067 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -17.334 -28.855 31.111 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -16.541 -28.277 29.145 1.00 33.35 O1- ATOM 0 H GLU A 76 -17.028 -25.783 28.713 1.00 14.42 H new ATOM 0 HA GLU A 76 -16.982 -24.282 31.001 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.548 -26.239 31.840 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.051 -25.190 30.530 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -19.449 -27.643 30.135 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.543 -26.832 28.873 1.00 75.12 H new ATOM 1181 N ASP A 77 -15.993 -25.473 32.998 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.175 -26.026 34.071 1.00 14.13 C ATOM 1183 C ASP A 77 -16.051 -26.622 35.170 1.00 2.45 C ATOM 1184 O ASP A 77 -16.858 -25.923 35.782 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.266 -24.945 34.657 1.00 0.41 C ATOM 1186 CG ASP A 77 -13.257 -25.507 35.639 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -13.337 -26.714 35.946 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -12.388 -24.739 36.102 1.00 33.42 O1- ATOM 0 H ASP A 77 -16.527 -24.644 33.259 1.00 24.14 H new ATOM 0 HA ASP A 77 -14.558 -26.821 33.652 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -13.739 -24.440 33.848 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -14.876 -24.193 35.158 1.00 0.41 H new ATOM 1193 N THR A 78 -15.886 -27.918 35.413 1.00 73.11 N ATOM 1194 CA THR A 78 -16.662 -28.609 36.435 1.00 32.45 C ATOM 1195 C THR A 78 -15.805 -28.928 37.654 1.00 35.21 C ATOM 1196 O THR A 78 -14.646 -29.321 37.523 1.00 74.43 O ATOM 1197 CB THR A 78 -17.270 -29.916 35.892 1.00 13.32 C ATOM 1198 OG1 THR A 78 -16.272 -30.663 35.186 1.00 10.33 O ATOM 1199 CG2 THR A 78 -18.441 -29.625 34.967 1.00 23.12 C ATOM 0 H THR A 78 -15.221 -28.511 34.916 1.00 73.11 H new ATOM 0 HA THR A 78 -17.469 -27.937 36.727 1.00 32.45 H new ATOM 0 HB THR A 78 -17.632 -30.501 36.737 1.00 13.32 H new ATOM 0 HG1 THR A 78 -16.665 -31.493 34.845 1.00 10.33 H new ATOM 0 HG21 THR A 78 -18.854 -30.563 34.596 1.00 23.12 H new ATOM 0 HG22 THR A 78 -19.211 -29.081 35.515 1.00 23.12 H new ATOM 0 HG23 THR A 78 -18.099 -29.022 34.126 1.00 23.12 H new ATOM 1207 N GLN A 79 -16.383 -28.757 38.839 1.00 71.11 N ATOM 1208 CA GLN A 79 -15.670 -29.028 40.082 1.00 23.05 C ATOM 1209 C GLN A 79 -15.446 -30.526 40.266 1.00 15.21 C ATOM 1210 O GLN A 79 -16.221 -31.343 39.771 1.00 62.32 O ATOM 1211 CB GLN A 79 -16.447 -28.465 41.273 1.00 33.22 C ATOM 1212 CG GLN A 79 -15.582 -28.207 42.497 1.00 21.24 C ATOM 1213 CD GLN A 79 -16.146 -27.120 43.390 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -16.596 -27.387 44.505 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -16.124 -25.884 42.905 1.00 4.20 N ATOM 0 H GLN A 79 -17.342 -28.432 38.964 1.00 71.11 H new ATOM 0 HA GLN A 79 -14.698 -28.539 40.028 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -16.927 -27.533 40.975 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -17.241 -29.162 41.540 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -15.485 -29.129 43.070 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -14.579 -27.925 42.176 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -15.742 -25.707 41.976 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -16.489 -25.111 43.462 1.00 4.20 H new ATOM 1224 N MET A 80 -14.383 -30.876 40.981 1.00 10.55 N ATOM 1225 CA MET A 80 -14.058 -32.275 41.232 1.00 33.12 C ATOM 1226 C MET A 80 -13.952 -32.549 42.729 1.00 54.10 C ATOM 1227 O MET A 80 -12.987 -32.145 43.377 1.00 32.25 O ATOM 1228 CB MET A 80 -12.747 -32.649 40.538 1.00 43.24 C ATOM 1229 CG MET A 80 -12.692 -34.098 40.081 1.00 33.52 C ATOM 1230 SD MET A 80 -13.495 -34.353 38.487 1.00 41.55 S ATOM 1231 CE MET A 80 -12.094 -34.816 37.472 1.00 74.23 C ATOM 0 H MET A 80 -13.732 -30.210 41.397 1.00 10.55 H new ATOM 0 HA MET A 80 -14.863 -32.887 40.825 1.00 33.12 H new ATOM 0 HB2 MET A 80 -12.604 -31.999 39.675 1.00 43.24 H new ATOM 0 HB3 MET A 80 -11.918 -32.460 41.220 1.00 43.24 H new ATOM 0 HG2 MET A 80 -11.651 -34.415 40.014 1.00 33.52 H new ATOM 0 HG3 MET A 80 -13.170 -34.730 40.830 1.00 33.52 H new ATOM 0 HE1 MET A 80 -12.430 -35.007 36.453 1.00 74.23 H new ATOM 0 HE2 MET A 80 -11.364 -34.006 37.468 1.00 74.23 H new ATOM 0 HE3 MET A 80 -11.633 -35.717 37.877 1.00 74.23 H new ATOM 1241 N VAL A 81 -14.950 -33.239 43.272 1.00 0.53 N ATOM 1242 CA VAL A 81 -14.968 -33.567 44.693 1.00 1.25 C ATOM 1243 C VAL A 81 -14.672 -35.046 44.918 1.00 62.43 C ATOM 1244 O VAL A 81 -15.461 -35.760 45.537 1.00 3.11 O ATOM 1245 CB VAL A 81 -16.327 -33.224 45.331 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -16.241 -33.308 46.847 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -16.788 -31.843 44.890 1.00 54.24 C ATOM 0 H VAL A 81 -15.756 -33.582 42.750 1.00 0.53 H new ATOM 0 HA VAL A 81 -14.191 -32.967 45.167 1.00 1.25 H new ATOM 0 HB VAL A 81 -17.063 -33.953 44.992 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -17.210 -33.062 47.281 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -15.958 -34.319 47.140 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -15.493 -32.603 47.209 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -17.750 -31.616 45.350 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -16.054 -31.099 45.199 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -16.891 -31.823 43.805 1.00 54.24 H new ATOM 1257 N ASP A 82 -13.529 -35.498 44.413 1.00 21.33 N ATOM 1258 CA ASP A 82 -13.127 -36.892 44.561 1.00 52.35 C ATOM 1259 C ASP A 82 -12.059 -37.038 45.641 1.00 42.13 C ATOM 1260 O ASP A 82 -11.004 -36.410 45.572 1.00 40.40 O ATOM 1261 CB ASP A 82 -12.603 -37.438 43.232 1.00 62.52 C ATOM 1262 CG ASP A 82 -13.617 -37.306 42.112 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -13.225 -37.459 40.936 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -14.802 -37.049 42.411 1.00 1.31 O1- ATOM 0 H ASP A 82 -12.865 -34.920 43.898 1.00 21.33 H new ATOM 0 HA ASP A 82 -14.003 -37.467 44.861 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -11.692 -36.906 42.958 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -12.335 -38.488 43.354 1.00 62.52 H new ATOM 1269 N GLU A 83 -12.343 -37.871 46.637 1.00 63.12 N ATOM 1270 CA GLU A 83 -11.407 -38.097 47.733 1.00 23.02 C ATOM 1271 C GLU A 83 -11.247 -39.589 48.012 1.00 10.51 C ATOM 1272 O GLU A 83 -11.791 -40.111 48.986 1.00 50.40 O ATOM 1273 CB GLU A 83 -11.883 -37.378 48.996 1.00 13.42 C ATOM 1274 CG GLU A 83 -13.347 -37.626 49.323 1.00 3.23 C ATOM 1275 CD GLU A 83 -13.638 -37.526 50.808 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -13.536 -36.410 51.359 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -13.969 -38.563 51.418 1.00 64.43 O1- ATOM 0 H GLU A 83 -13.212 -38.400 46.708 1.00 63.12 H new ATOM 0 HA GLU A 83 -10.438 -37.694 47.439 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -11.272 -37.700 49.839 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -11.723 -36.307 48.876 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -13.963 -36.904 48.786 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -13.633 -38.616 48.966 1.00 3.23 H new ATOM 1284 N VAL A 84 -10.497 -40.269 47.152 1.00 23.40 N ATOM 1285 CA VAL A 84 -10.265 -41.701 47.305 1.00 2.42 C ATOM 1286 C VAL A 84 -8.869 -42.085 46.827 1.00 11.52 C ATOM 1287 O VAL A 84 -8.308 -41.445 45.938 1.00 34.13 O ATOM 1288 CB VAL A 84 -11.307 -42.526 46.527 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -11.135 -42.329 45.029 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -11.204 -43.998 46.896 1.00 53.25 C ATOM 0 H VAL A 84 -10.039 -39.852 46.342 1.00 23.40 H new ATOM 0 HA VAL A 84 -10.357 -41.924 48.368 1.00 2.42 H new ATOM 0 HB VAL A 84 -12.302 -42.175 46.802 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -11.880 -42.920 44.496 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -11.264 -41.275 44.783 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -10.137 -42.651 44.732 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -11.948 -44.566 46.337 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -10.207 -44.366 46.651 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -11.383 -44.119 47.964 1.00 53.25 H new ATOM 1300 N VAL A 85 -8.314 -43.136 47.422 1.00 23.03 N ATOM 1301 CA VAL A 85 -6.984 -43.607 47.057 1.00 53.43 C ATOM 1302 C VAL A 85 -6.957 -44.114 45.620 1.00 23.44 C ATOM 1303 O VAL A 85 -7.889 -44.779 45.166 1.00 52.44 O ATOM 1304 CB VAL A 85 -6.510 -44.733 47.995 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -7.392 -45.962 47.843 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -5.053 -45.075 47.723 1.00 13.25 C ATOM 0 H VAL A 85 -8.765 -43.677 48.159 1.00 23.03 H new ATOM 0 HA VAL A 85 -6.309 -42.756 47.153 1.00 53.43 H new ATOM 0 HB VAL A 85 -6.591 -44.383 49.024 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -7.041 -46.747 48.514 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -8.421 -45.704 48.093 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -7.346 -46.317 46.814 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -4.735 -45.872 48.395 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -4.944 -45.405 46.690 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -4.435 -44.193 47.889 1.00 13.25 H new ATOM 1316 N VAL A 86 -5.881 -43.796 44.905 1.00 13.51 N ATOM 1317 CA VAL A 86 -5.731 -44.222 43.519 1.00 11.22 C ATOM 1318 C VAL A 86 -4.399 -44.931 43.303 1.00 63.12 C ATOM 1319 O VAL A 86 -3.707 -44.688 42.314 1.00 25.30 O ATOM 1320 CB VAL A 86 -5.826 -43.025 42.553 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -7.266 -42.549 42.431 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -4.919 -41.895 43.014 1.00 73.01 C ATOM 0 H VAL A 86 -5.101 -43.245 45.264 1.00 13.51 H new ATOM 0 HA VAL A 86 -6.546 -44.915 43.310 1.00 11.22 H new ATOM 0 HB VAL A 86 -5.492 -43.349 41.567 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -7.313 -41.703 41.745 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -7.886 -43.360 42.050 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -7.632 -42.242 43.411 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -4.999 -41.058 42.320 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -5.220 -41.570 44.010 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -3.887 -42.245 43.043 1.00 73.01 H new ATOM 1332 N THR A 87 -4.046 -45.810 44.235 1.00 32.30 N ATOM 1333 CA THR A 87 -2.796 -46.556 44.147 1.00 63.34 C ATOM 1334 C THR A 87 -2.816 -47.773 45.065 1.00 32.24 C ATOM 1335 O THR A 87 -3.308 -47.705 46.191 1.00 11.13 O ATOM 1336 CB THR A 87 -1.588 -45.673 44.510 1.00 65.24 C ATOM 1337 OG1 THR A 87 -0.398 -46.467 44.566 1.00 1.23 O ATOM 1338 CG2 THR A 87 -1.806 -44.982 45.848 1.00 64.13 C ATOM 0 H THR A 87 -4.607 -46.023 45.059 1.00 32.30 H new ATOM 0 HA THR A 87 -2.697 -46.886 43.113 1.00 63.34 H new ATOM 0 HB THR A 87 -1.479 -44.911 43.738 1.00 65.24 H new ATOM 0 HG1 THR A 87 0.365 -45.897 44.796 1.00 1.23 H new ATOM 0 HG21 THR A 87 -0.940 -44.364 46.084 1.00 64.13 H new ATOM 0 HG22 THR A 87 -2.695 -44.354 45.793 1.00 64.13 H new ATOM 0 HG23 THR A 87 -1.939 -45.732 46.627 1.00 64.13 H new ATOM 1346 N GLY A 88 -2.277 -48.886 44.577 1.00 61.42 N ATOM 1347 CA GLY A 88 -2.243 -50.102 45.368 1.00 23.00 C ATOM 1348 C GLY A 88 -0.837 -50.479 45.792 1.00 61.32 C ATOM 1349 O GLY A 88 0.132 -49.832 45.397 1.00 11.31 O ATOM 0 H GLY A 88 -1.863 -48.967 43.648 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -2.864 -49.973 46.254 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -2.677 -50.919 44.791 1.00 23.00 H new ATOM 1353 N TYR A 89 -0.726 -51.528 46.599 1.00 75.33 N ATOM 1354 CA TYR A 89 0.571 -51.987 47.081 1.00 31.00 C ATOM 1355 C TYR A 89 0.772 -53.469 46.778 1.00 2.11 C ATOM 1356 O TYR A 89 -0.190 -54.233 46.688 1.00 10.14 O ATOM 1357 CB TYR A 89 0.697 -51.742 48.585 1.00 63.35 C ATOM 1358 CG TYR A 89 2.081 -52.014 49.130 1.00 22.31 C ATOM 1359 CD1 TYR A 89 2.330 -53.126 49.925 1.00 11.32 C ATOM 1360 CD2 TYR A 89 3.140 -51.159 48.848 1.00 75.11 C ATOM 1361 CE1 TYR A 89 3.593 -53.378 50.425 1.00 30.34 C ATOM 1362 CE2 TYR A 89 4.407 -51.404 49.342 1.00 50.14 C ATOM 1363 CZ TYR A 89 4.628 -52.514 50.131 1.00 73.01 C ATOM 1364 OH TYR A 89 5.888 -52.762 50.626 1.00 13.23 O ATOM 0 H TYR A 89 -1.518 -52.076 46.933 1.00 75.33 H new ATOM 0 HA TYR A 89 1.343 -51.420 46.561 1.00 31.00 H new ATOM 0 HB2 TYR A 89 0.428 -50.708 48.800 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -0.021 -52.373 49.109 1.00 63.35 H new ATOM 0 HD1 TYR A 89 1.522 -53.805 50.156 1.00 11.32 H new ATOM 0 HD2 TYR A 89 2.970 -50.288 48.232 1.00 75.11 H new ATOM 0 HE1 TYR A 89 3.769 -54.246 51.043 1.00 30.34 H new ATOM 0 HE2 TYR A 89 5.219 -50.731 49.112 1.00 50.14 H new ATOM 0 HH TYR A 89 6.502 -52.060 50.325 1.00 13.23 H new ATOM 1374 N THR A 90 2.029 -53.870 46.619 1.00 63.13 N ATOM 1375 CA THR A 90 2.358 -55.259 46.326 1.00 73.03 C ATOM 1376 C THR A 90 1.883 -56.184 47.441 1.00 22.02 C ATOM 1377 O THR A 90 2.348 -57.319 47.561 1.00 3.25 O ATOM 1378 CB THR A 90 3.873 -55.448 46.127 1.00 65.23 C ATOM 1379 OG1 THR A 90 4.577 -55.037 47.306 1.00 50.24 O ATOM 1380 CG2 THR A 90 4.367 -54.649 44.931 1.00 14.03 C ATOM 0 H THR A 90 2.837 -53.251 46.688 1.00 63.13 H new ATOM 0 HA THR A 90 1.843 -55.517 45.400 1.00 73.03 H new ATOM 0 HB THR A 90 4.063 -56.505 45.940 1.00 65.23 H new ATOM 0 HG1 THR A 90 5.540 -55.162 47.172 1.00 50.24 H new ATOM 0 HG21 THR A 90 5.440 -54.799 44.811 1.00 14.03 H new ATOM 0 HG22 THR A 90 3.851 -54.984 44.031 1.00 14.03 H new ATOM 0 HG23 THR A 90 4.164 -53.590 45.092 1.00 14.03 H new TER 1388 THR A 90