USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 773 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 58 ASN :FLIP amide:sc= 0 F(o=-0.84,f=-0.083) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.0829 K(o=-0.083,f=-0.84) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.0661 K(o=-0.14,f=-1.7) USER MOD Set 2.2: A 52 MET CE :methyl 164:sc= -0.07 (180deg=-0.414) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0898) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 11 MET CE :methyl -170:sc= 0 (180deg=-0.0832) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0851) USER MOD Single : A 13 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.55) USER MOD Single : A 14 SER OG : rot 37:sc= 0.267 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc=-0.00244 X(o=-0.0024,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.144) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.144 F(o=-0.95,f=-0.14) USER MOD Single : A 51 MET CE :methyl 154:sc= -0.512 (180deg=-1.85) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -143:sc= 0.138 (180deg=-0.114) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0547 K(o=-0.055,f=-7.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 CYS SG : rot 4:sc= 0.313 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -116:sc= 0.593 (180deg=-0.136) USER MOD Single : A 88 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.844 30.226 19.634 1.00 5.30 N ATOM 2 CA MET A 1 7.103 28.763 19.569 1.00 43.40 C ATOM 3 C MET A 1 5.830 27.954 19.921 1.00 34.44 C ATOM 4 O MET A 1 5.108 28.302 20.860 1.00 71.31 O ATOM 5 CB MET A 1 8.276 28.375 20.515 1.00 62.14 C ATOM 6 CG MET A 1 9.627 29.013 20.146 1.00 22.55 C ATOM 7 SD MET A 1 10.944 28.538 21.289 1.00 22.15 S ATOM 8 CE MET A 1 12.370 29.373 20.588 1.00 1.02 C ATOM 0 H1 MET A 1 7.662 30.741 19.249 1.00 5.30 H new ATOM 0 H2 MET A 1 5.997 30.454 19.075 1.00 5.30 H new ATOM 0 H3 MET A 1 6.692 30.508 20.623 1.00 5.30 H new ATOM 0 HA MET A 1 7.385 28.516 18.546 1.00 43.40 H new ATOM 0 HB2 MET A 1 8.017 28.665 21.533 1.00 62.14 H new ATOM 0 HB3 MET A 1 8.387 27.291 20.511 1.00 62.14 H new ATOM 0 HG2 MET A 1 9.902 28.716 19.134 1.00 22.55 H new ATOM 0 HG3 MET A 1 9.525 30.098 20.143 1.00 22.55 H new ATOM 0 HE1 MET A 1 13.250 29.164 21.197 1.00 1.02 H new ATOM 0 HE2 MET A 1 12.538 29.015 19.572 1.00 1.02 H new ATOM 0 HE3 MET A 1 12.189 30.448 20.569 1.00 1.02 H new ATOM 20 N GLY A 2 5.570 26.874 19.152 1.00 53.25 N ATOM 21 CA GLY A 2 4.422 25.978 19.384 1.00 64.35 C ATOM 22 C GLY A 2 4.803 24.496 19.270 1.00 60.03 C ATOM 23 O GLY A 2 5.603 24.124 18.402 1.00 52.33 O ATOM 0 H GLY A 2 6.149 26.602 18.357 1.00 53.25 H new ATOM 0 HA2 GLY A 2 4.010 26.169 20.375 1.00 64.35 H new ATOM 0 HA3 GLY A 2 3.636 26.205 18.663 1.00 64.35 H new ATOM 27 N HIS A 3 4.218 23.644 20.141 1.00 72.41 N ATOM 28 CA HIS A 3 4.547 22.198 20.204 1.00 63.21 C ATOM 29 C HIS A 3 3.345 21.383 20.760 1.00 1.10 C ATOM 30 O HIS A 3 3.343 20.953 21.918 1.00 14.54 O ATOM 31 CB HIS A 3 5.846 21.984 21.052 1.00 54.34 C ATOM 32 CG HIS A 3 6.363 20.559 21.094 1.00 31.15 C ATOM 33 ND1 HIS A 3 7.074 19.981 20.065 1.00 5.21 N ATOM 34 CD2 HIS A 3 6.279 19.599 22.055 1.00 12.31 C ATOM 35 CE1 HIS A 3 7.397 18.746 20.385 1.00 72.31 C ATOM 36 NE2 HIS A 3 6.929 18.492 21.585 1.00 34.23 N ATOM 0 H HIS A 3 3.510 23.934 20.816 1.00 72.41 H new ATOM 0 HA HIS A 3 4.741 21.829 19.197 1.00 63.21 H new ATOM 0 HB2 HIS A 3 6.631 22.627 20.653 1.00 54.34 H new ATOM 0 HB3 HIS A 3 5.653 22.313 22.073 1.00 54.34 H new ATOM 0 HD2 HIS A 3 5.789 19.694 23.013 1.00 12.31 H new ATOM 0 HE1 HIS A 3 7.953 18.058 19.765 1.00 72.31 H new ATOM 0 HE2 HIS A 3 7.034 17.610 22.086 1.00 34.23 H new ATOM 45 N HIS A 4 2.289 21.241 19.928 1.00 1.20 N ATOM 46 CA HIS A 4 1.126 20.358 20.205 1.00 12.20 C ATOM 47 C HIS A 4 0.608 19.743 18.881 1.00 11.43 C ATOM 48 O HIS A 4 0.108 20.459 18.009 1.00 25.40 O ATOM 49 CB HIS A 4 -0.030 21.119 20.929 1.00 52.33 C ATOM 50 CG HIS A 4 0.267 21.503 22.362 1.00 4.21 C ATOM 51 ND1 HIS A 4 0.323 22.809 22.806 1.00 5.24 N ATOM 52 CD2 HIS A 4 0.530 20.738 23.451 1.00 23.42 C ATOM 53 CE1 HIS A 4 0.612 22.825 24.089 1.00 43.42 C ATOM 54 NE2 HIS A 4 0.739 21.587 24.504 1.00 12.01 N ATOM 0 H HIS A 4 2.216 21.737 19.040 1.00 1.20 H new ATOM 0 HA HIS A 4 1.464 19.566 20.873 1.00 12.20 H new ATOM 0 HB2 HIS A 4 -0.261 22.023 20.365 1.00 52.33 H new ATOM 0 HB3 HIS A 4 -0.924 20.496 20.912 1.00 52.33 H new ATOM 0 HD2 HIS A 4 0.568 19.659 23.481 1.00 23.42 H new ATOM 0 HE1 HIS A 4 0.726 23.709 24.699 1.00 43.42 H new ATOM 0 HE2 HIS A 4 0.958 21.303 25.459 1.00 12.01 H new ATOM 63 N HIS A 5 0.756 18.411 18.732 1.00 42.53 N ATOM 64 CA HIS A 5 0.246 17.651 17.562 1.00 41.14 C ATOM 65 C HIS A 5 -0.645 16.481 18.035 1.00 21.44 C ATOM 66 O HIS A 5 -0.173 15.573 18.727 1.00 45.12 O ATOM 67 CB HIS A 5 1.419 17.141 16.684 1.00 60.13 C ATOM 68 CG HIS A 5 2.181 18.247 15.993 1.00 10.25 C ATOM 69 ND1 HIS A 5 3.440 18.656 16.374 1.00 0.21 N ATOM 70 CD2 HIS A 5 1.844 19.034 14.940 1.00 34.40 C ATOM 71 CE1 HIS A 5 3.838 19.639 15.598 1.00 72.44 C ATOM 72 NE2 HIS A 5 2.891 19.890 14.721 1.00 24.34 N ATOM 0 H HIS A 5 1.233 17.827 19.419 1.00 42.53 H new ATOM 0 HA HIS A 5 -0.361 18.318 16.949 1.00 41.14 H new ATOM 0 HB2 HIS A 5 2.108 16.571 17.308 1.00 60.13 H new ATOM 0 HB3 HIS A 5 1.028 16.456 15.932 1.00 60.13 H new ATOM 0 HD2 HIS A 5 0.922 18.993 14.379 1.00 34.40 H new ATOM 0 HE1 HIS A 5 4.784 20.154 15.669 1.00 72.44 H new ATOM 0 HE2 HIS A 5 2.930 20.606 13.995 1.00 24.34 H new ATOM 81 N HIS A 6 -1.945 16.531 17.670 1.00 41.22 N ATOM 82 CA HIS A 6 -2.975 15.566 18.132 1.00 41.13 C ATOM 83 C HIS A 6 -3.846 15.078 16.949 1.00 43.42 C ATOM 84 O HIS A 6 -4.294 15.885 16.130 1.00 70.41 O ATOM 85 CB HIS A 6 -3.891 16.235 19.199 1.00 0.31 C ATOM 86 CG HIS A 6 -3.160 16.731 20.422 1.00 51.14 C ATOM 87 ND1 HIS A 6 -2.931 18.066 20.678 1.00 63.43 N ATOM 88 CD2 HIS A 6 -2.610 16.060 21.462 1.00 70.22 C ATOM 89 CE1 HIS A 6 -2.268 18.188 21.804 1.00 1.33 C ATOM 90 NE2 HIS A 6 -2.062 16.991 22.300 1.00 44.44 N ATOM 0 H HIS A 6 -2.314 17.245 17.043 1.00 41.22 H new ATOM 0 HA HIS A 6 -2.462 14.709 18.569 1.00 41.13 H new ATOM 0 HB2 HIS A 6 -4.414 17.073 18.738 1.00 0.31 H new ATOM 0 HB3 HIS A 6 -4.650 15.518 19.510 1.00 0.31 H new ATOM 0 HD2 HIS A 6 -2.605 14.989 21.603 1.00 70.22 H new ATOM 0 HE1 HIS A 6 -1.946 19.118 22.248 1.00 1.33 H new ATOM 0 HE2 HIS A 6 -1.572 16.788 23.171 1.00 44.44 H new ATOM 99 N HIS A 7 -4.066 13.749 16.868 1.00 43.23 N ATOM 100 CA HIS A 7 -5.039 13.125 15.939 1.00 20.40 C ATOM 101 C HIS A 7 -5.702 11.908 16.626 1.00 35.31 C ATOM 102 O HIS A 7 -5.299 10.755 16.403 1.00 74.23 O ATOM 103 CB HIS A 7 -4.374 12.696 14.590 1.00 13.24 C ATOM 104 CG HIS A 7 -3.977 13.836 13.685 1.00 13.23 C ATOM 105 ND1 HIS A 7 -2.673 14.246 13.504 1.00 73.45 N ATOM 106 CD2 HIS A 7 -4.723 14.629 12.882 1.00 71.23 C ATOM 107 CE1 HIS A 7 -2.640 15.233 12.638 1.00 31.12 C ATOM 108 NE2 HIS A 7 -3.869 15.487 12.241 1.00 24.35 N ATOM 0 H HIS A 7 -3.571 13.072 17.448 1.00 43.23 H new ATOM 0 HA HIS A 7 -5.798 13.869 15.697 1.00 20.40 H new ATOM 0 HB2 HIS A 7 -3.487 12.102 14.812 1.00 13.24 H new ATOM 0 HB3 HIS A 7 -5.065 12.048 14.051 1.00 13.24 H new ATOM 0 HD2 HIS A 7 -5.796 14.592 12.767 1.00 71.23 H new ATOM 0 HE1 HIS A 7 -1.752 15.750 12.307 1.00 31.12 H new ATOM 0 HE2 HIS A 7 -4.140 16.204 11.568 1.00 24.35 H new ATOM 117 N HIS A 8 -6.685 12.177 17.509 1.00 74.44 N ATOM 118 CA HIS A 8 -7.442 11.113 18.206 1.00 51.34 C ATOM 119 C HIS A 8 -8.435 10.442 17.222 1.00 75.20 C ATOM 120 O HIS A 8 -9.577 10.886 17.066 1.00 42.12 O ATOM 121 CB HIS A 8 -8.164 11.689 19.451 1.00 43.21 C ATOM 122 CG HIS A 8 -8.837 10.653 20.318 1.00 34.13 C ATOM 123 ND1 HIS A 8 -10.197 10.425 20.315 1.00 12.54 N ATOM 124 CD2 HIS A 8 -8.324 9.794 21.233 1.00 75.15 C ATOM 125 CE1 HIS A 8 -10.486 9.479 21.179 1.00 42.45 C ATOM 126 NE2 HIS A 8 -9.371 9.077 21.749 1.00 73.04 N ATOM 0 H HIS A 8 -6.975 13.123 17.758 1.00 74.44 H new ATOM 0 HA HIS A 8 -6.750 10.348 18.558 1.00 51.34 H new ATOM 0 HB2 HIS A 8 -7.440 12.235 20.055 1.00 43.21 H new ATOM 0 HB3 HIS A 8 -8.912 12.410 19.121 1.00 43.21 H new ATOM 0 HD2 HIS A 8 -7.284 9.694 21.505 1.00 75.15 H new ATOM 0 HE1 HIS A 8 -11.474 9.095 21.387 1.00 42.45 H new ATOM 0 HE2 HIS A 8 -9.298 8.349 22.460 1.00 73.04 H new ATOM 135 N SER A 9 -7.957 9.393 16.535 1.00 32.11 N ATOM 136 CA SER A 9 -8.687 8.718 15.435 1.00 72.42 C ATOM 137 C SER A 9 -9.110 7.282 15.821 1.00 73.25 C ATOM 138 O SER A 9 -8.574 6.690 16.767 1.00 72.15 O ATOM 139 CB SER A 9 -7.788 8.687 14.174 1.00 24.43 C ATOM 140 OG SER A 9 -8.448 8.096 13.063 1.00 30.14 O ATOM 0 H SER A 9 -7.044 8.980 16.725 1.00 32.11 H new ATOM 0 HA SER A 9 -9.598 9.281 15.233 1.00 72.42 H new ATOM 0 HB2 SER A 9 -7.487 9.703 13.918 1.00 24.43 H new ATOM 0 HB3 SER A 9 -6.877 8.130 14.392 1.00 24.43 H new ATOM 0 HG SER A 9 -7.848 8.097 12.288 1.00 30.14 H new ATOM 146 N HIS A 10 -10.073 6.732 15.061 1.00 73.33 N ATOM 147 CA HIS A 10 -10.591 5.359 15.258 1.00 22.51 C ATOM 148 C HIS A 10 -9.690 4.311 14.549 1.00 74.42 C ATOM 149 O HIS A 10 -9.266 4.512 13.403 1.00 74.34 O ATOM 150 CB HIS A 10 -12.040 5.261 14.724 1.00 4.32 C ATOM 151 CG HIS A 10 -13.025 6.167 15.415 1.00 74.43 C ATOM 152 ND1 HIS A 10 -13.680 7.192 14.778 1.00 70.33 N ATOM 153 CD2 HIS A 10 -13.485 6.177 16.688 1.00 23.41 C ATOM 154 CE1 HIS A 10 -14.493 7.787 15.616 1.00 14.14 C ATOM 155 NE2 HIS A 10 -14.394 7.192 16.782 1.00 72.30 N ATOM 0 H HIS A 10 -10.519 7.227 14.288 1.00 73.33 H new ATOM 0 HA HIS A 10 -10.584 5.143 16.326 1.00 22.51 H new ATOM 0 HB2 HIS A 10 -12.037 5.494 13.659 1.00 4.32 H new ATOM 0 HB3 HIS A 10 -12.381 4.231 14.824 1.00 4.32 H new ATOM 0 HD2 HIS A 10 -13.188 5.507 17.482 1.00 23.41 H new ATOM 0 HE1 HIS A 10 -15.135 8.624 15.386 1.00 14.14 H new ATOM 0 HE2 HIS A 10 -14.912 7.447 17.623 1.00 72.30 H new ATOM 164 N MET A 11 -9.432 3.192 15.248 1.00 62.22 N ATOM 165 CA MET A 11 -8.601 2.072 14.742 1.00 44.41 C ATOM 166 C MET A 11 -8.984 0.775 15.512 1.00 1.33 C ATOM 167 O MET A 11 -9.444 0.860 16.658 1.00 4.33 O ATOM 168 CB MET A 11 -7.076 2.423 14.902 1.00 32.20 C ATOM 169 CG MET A 11 -6.110 1.654 13.971 1.00 22.31 C ATOM 170 SD MET A 11 -5.891 -0.090 14.397 1.00 73.12 S ATOM 171 CE MET A 11 -4.929 0.003 15.911 1.00 34.31 C ATOM 0 H MET A 11 -9.795 3.033 16.188 1.00 62.22 H new ATOM 0 HA MET A 11 -8.786 1.908 13.680 1.00 44.41 H new ATOM 0 HB2 MET A 11 -6.947 3.491 14.726 1.00 32.20 H new ATOM 0 HB3 MET A 11 -6.785 2.233 15.935 1.00 32.20 H new ATOM 0 HG2 MET A 11 -6.480 1.722 12.948 1.00 22.31 H new ATOM 0 HG3 MET A 11 -5.137 2.145 13.991 1.00 22.31 H new ATOM 0 HE1 MET A 11 -4.576 -0.993 16.180 1.00 34.31 H new ATOM 0 HE2 MET A 11 -4.074 0.662 15.759 1.00 34.31 H new ATOM 0 HE3 MET A 11 -5.552 0.396 16.714 1.00 34.31 H new ATOM 181 N LYS A 12 -8.795 -0.406 14.871 1.00 24.14 N ATOM 182 CA LYS A 12 -9.149 -1.742 15.450 1.00 70.04 C ATOM 183 C LYS A 12 -8.592 -1.949 16.886 1.00 64.13 C ATOM 184 O LYS A 12 -7.390 -1.799 17.120 1.00 62.54 O ATOM 185 CB LYS A 12 -8.639 -2.886 14.520 1.00 52.23 C ATOM 186 CG LYS A 12 -9.337 -2.953 13.143 1.00 4.23 C ATOM 187 CD LYS A 12 -10.839 -3.316 13.248 1.00 51.44 C ATOM 188 CE LYS A 12 -11.553 -3.298 11.886 1.00 42.13 C ATOM 189 NZ LYS A 12 -11.567 -1.940 11.275 1.00 62.30 N ATOM 0 H LYS A 12 -8.392 -0.467 13.936 1.00 24.14 H new ATOM 0 HA LYS A 12 -10.236 -1.772 15.519 1.00 70.04 H new ATOM 0 HB2 LYS A 12 -7.568 -2.760 14.364 1.00 52.23 H new ATOM 0 HB3 LYS A 12 -8.777 -3.840 15.030 1.00 52.23 H new ATOM 0 HG2 LYS A 12 -9.235 -1.990 12.642 1.00 4.23 H new ATOM 0 HG3 LYS A 12 -8.832 -3.692 12.520 1.00 4.23 H new ATOM 0 HD2 LYS A 12 -10.939 -4.306 13.692 1.00 51.44 H new ATOM 0 HD3 LYS A 12 -11.332 -2.614 13.921 1.00 51.44 H new ATOM 0 HE2 LYS A 12 -11.058 -3.994 11.209 1.00 42.13 H new ATOM 0 HE3 LYS A 12 -12.577 -3.649 12.010 1.00 42.13 H new ATOM 0 HZ1 LYS A 12 -12.172 -1.946 10.429 1.00 62.30 H new ATOM 0 HZ2 LYS A 12 -11.940 -1.254 11.962 1.00 62.30 H new ATOM 0 HZ3 LYS A 12 -10.599 -1.670 11.007 1.00 62.30 H new ATOM 203 N HIS A 13 -9.498 -2.265 17.840 1.00 63.31 N ATOM 204 CA HIS A 13 -9.133 -2.488 19.258 1.00 51.43 C ATOM 205 C HIS A 13 -8.223 -3.745 19.428 1.00 54.35 C ATOM 206 O HIS A 13 -8.690 -4.886 19.503 1.00 64.24 O ATOM 207 CB HIS A 13 -10.407 -2.547 20.159 1.00 45.14 C ATOM 208 CG HIS A 13 -11.371 -3.672 19.855 1.00 24.34 C ATOM 209 ND1 HIS A 13 -11.381 -4.863 20.558 1.00 60.03 N ATOM 210 CD2 HIS A 13 -12.357 -3.788 18.932 1.00 73.03 C ATOM 211 CE1 HIS A 13 -12.310 -5.652 20.078 1.00 10.41 C ATOM 212 NE2 HIS A 13 -12.919 -5.026 19.095 1.00 13.10 N ATOM 0 H HIS A 13 -10.495 -2.372 17.651 1.00 63.31 H new ATOM 0 HA HIS A 13 -8.542 -1.635 19.592 1.00 51.43 H new ATOM 0 HB2 HIS A 13 -10.091 -2.634 21.199 1.00 45.14 H new ATOM 0 HB3 HIS A 13 -10.940 -1.601 20.066 1.00 45.14 H new ATOM 0 HD2 HIS A 13 -12.645 -3.044 18.205 1.00 73.03 H new ATOM 0 HE1 HIS A 13 -12.537 -6.647 20.430 1.00 10.41 H new ATOM 0 HE2 HIS A 13 -13.688 -5.403 18.541 1.00 13.10 H new ATOM 221 N SER A 14 -6.909 -3.502 19.423 1.00 12.12 N ATOM 222 CA SER A 14 -5.875 -4.544 19.606 1.00 43.11 C ATOM 223 C SER A 14 -4.664 -3.953 20.364 1.00 62.34 C ATOM 224 O SER A 14 -3.878 -3.185 19.794 1.00 61.24 O ATOM 225 CB SER A 14 -5.445 -5.138 18.232 1.00 70.13 C ATOM 226 OG SER A 14 -5.029 -4.129 17.319 1.00 13.02 O ATOM 0 H SER A 14 -6.521 -2.568 19.291 1.00 12.12 H new ATOM 0 HA SER A 14 -6.291 -5.357 20.201 1.00 43.11 H new ATOM 0 HB2 SER A 14 -4.631 -5.847 18.383 1.00 70.13 H new ATOM 0 HB3 SER A 14 -6.278 -5.695 17.802 1.00 70.13 H new ATOM 0 HG SER A 14 -4.544 -3.429 17.804 1.00 13.02 H new ATOM 232 N SER A 15 -4.544 -4.292 21.666 1.00 73.10 N ATOM 233 CA SER A 15 -3.440 -3.819 22.537 1.00 14.41 C ATOM 234 C SER A 15 -2.150 -4.639 22.280 1.00 23.21 C ATOM 235 O SER A 15 -1.733 -5.470 23.098 1.00 42.10 O ATOM 236 CB SER A 15 -3.864 -3.890 24.029 1.00 52.10 C ATOM 237 OG SER A 15 -5.029 -3.110 24.284 1.00 22.30 O ATOM 0 H SER A 15 -5.208 -4.901 22.145 1.00 73.10 H new ATOM 0 HA SER A 15 -3.225 -2.778 22.295 1.00 14.41 H new ATOM 0 HB2 SER A 15 -4.053 -4.927 24.304 1.00 52.10 H new ATOM 0 HB3 SER A 15 -3.046 -3.538 24.657 1.00 52.10 H new ATOM 0 HG SER A 15 -5.268 -3.179 25.232 1.00 22.30 H new ATOM 243 N ARG A 16 -1.559 -4.419 21.092 1.00 3.14 N ATOM 244 CA ARG A 16 -0.353 -5.131 20.613 1.00 34.33 C ATOM 245 C ARG A 16 0.551 -4.179 19.796 1.00 72.32 C ATOM 246 O ARG A 16 0.096 -3.563 18.826 1.00 1.41 O ATOM 247 CB ARG A 16 -0.749 -6.368 19.733 1.00 53.43 C ATOM 248 CG ARG A 16 -1.205 -7.620 20.521 1.00 40.13 C ATOM 249 CD ARG A 16 -0.062 -8.245 21.349 1.00 42.13 C ATOM 250 NE ARG A 16 -0.535 -9.382 22.157 1.00 65.34 N ATOM 251 CZ ARG A 16 0.219 -10.340 22.660 1.00 25.44 C ATOM 252 NH1 ARG A 16 1.496 -10.406 22.433 1.00 61.13 N ATOM 253 NH2 ARG A 16 -0.329 -11.249 23.393 1.00 11.25 N ATOM 0 H ARG A 16 -1.909 -3.731 20.425 1.00 3.14 H new ATOM 0 HA ARG A 16 0.197 -5.482 21.486 1.00 34.33 H new ATOM 0 HB2 ARG A 16 -1.552 -6.071 19.058 1.00 53.43 H new ATOM 0 HB3 ARG A 16 0.105 -6.640 19.113 1.00 53.43 H new ATOM 0 HG2 ARG A 16 -2.025 -7.348 21.186 1.00 40.13 H new ATOM 0 HG3 ARG A 16 -1.593 -8.363 19.824 1.00 40.13 H new ATOM 0 HD2 ARG A 16 0.732 -8.579 20.680 1.00 42.13 H new ATOM 0 HD3 ARG A 16 0.370 -7.488 22.003 1.00 42.13 H new ATOM 0 HE ARG A 16 -1.536 -9.433 22.344 1.00 65.34 H new ATOM 0 HH11 ARG A 16 1.947 -9.702 21.849 1.00 61.13 H new ATOM 0 HH12 ARG A 16 2.048 -11.162 22.839 1.00 61.13 H new ATOM 0 HH21 ARG A 16 -1.332 -11.220 23.576 1.00 11.25 H new ATOM 0 HH22 ARG A 16 0.241 -11.997 23.789 1.00 11.25 H new ATOM 267 N LEU A 17 1.828 -4.056 20.209 1.00 24.32 N ATOM 268 CA LEU A 17 2.869 -3.366 19.417 1.00 33.23 C ATOM 269 C LEU A 17 3.285 -4.291 18.251 1.00 55.13 C ATOM 270 O LEU A 17 3.406 -5.507 18.436 1.00 63.12 O ATOM 271 CB LEU A 17 4.075 -2.982 20.347 1.00 23.02 C ATOM 272 CG LEU A 17 5.166 -1.974 19.797 1.00 70.12 C ATOM 273 CD1 LEU A 17 6.166 -2.635 18.820 1.00 31.11 C ATOM 274 CD2 LEU A 17 4.508 -0.728 19.158 1.00 75.40 C ATOM 0 H LEU A 17 2.167 -4.429 21.096 1.00 24.32 H new ATOM 0 HA LEU A 17 2.491 -2.435 18.994 1.00 33.23 H new ATOM 0 HB2 LEU A 17 3.664 -2.558 21.263 1.00 23.02 H new ATOM 0 HB3 LEU A 17 4.586 -3.904 20.624 1.00 23.02 H new ATOM 0 HG LEU A 17 5.746 -1.653 20.662 1.00 70.12 H new ATOM 0 HD11 LEU A 17 6.887 -1.892 18.479 1.00 31.11 H new ATOM 0 HD12 LEU A 17 6.691 -3.444 19.329 1.00 31.11 H new ATOM 0 HD13 LEU A 17 5.626 -3.036 17.962 1.00 31.11 H new ATOM 0 HD21 LEU A 17 5.283 -0.056 18.790 1.00 75.40 H new ATOM 0 HD22 LEU A 17 3.872 -1.037 18.328 1.00 75.40 H new ATOM 0 HD23 LEU A 17 3.904 -0.212 19.905 1.00 75.40 H new ATOM 286 N GLU A 18 3.474 -3.701 17.064 1.00 53.52 N ATOM 287 CA GLU A 18 3.833 -4.444 15.837 1.00 64.13 C ATOM 288 C GLU A 18 5.241 -5.083 15.965 1.00 4.34 C ATOM 289 O GLU A 18 6.260 -4.434 15.730 1.00 2.42 O ATOM 290 CB GLU A 18 3.740 -3.515 14.590 1.00 33.31 C ATOM 291 CG GLU A 18 2.306 -3.084 14.179 1.00 43.11 C ATOM 292 CD GLU A 18 1.523 -2.332 15.275 1.00 54.45 C ATOM 293 OE1 GLU A 18 1.956 -1.228 15.674 1.00 62.11 O ATOM 294 OE2 GLU A 18 0.493 -2.851 15.762 1.00 73.23 O ATOM 0 H GLU A 18 3.384 -2.695 16.921 1.00 53.52 H new ATOM 0 HA GLU A 18 3.118 -5.256 15.705 1.00 64.13 H new ATOM 0 HB2 GLU A 18 4.328 -2.618 14.783 1.00 33.31 H new ATOM 0 HB3 GLU A 18 4.203 -4.024 13.745 1.00 33.31 H new ATOM 0 HG2 GLU A 18 2.371 -2.448 13.296 1.00 43.11 H new ATOM 0 HG3 GLU A 18 1.742 -3.972 13.892 1.00 43.11 H new ATOM 301 N ALA A 19 5.263 -6.349 16.412 1.00 62.55 N ATOM 302 CA ALA A 19 6.495 -7.147 16.576 1.00 32.35 C ATOM 303 C ALA A 19 6.924 -7.796 15.244 1.00 12.12 C ATOM 304 O ALA A 19 8.119 -7.890 14.945 1.00 34.42 O ATOM 305 CB ALA A 19 6.280 -8.217 17.660 1.00 53.21 C ATOM 0 H ALA A 19 4.417 -6.856 16.674 1.00 62.55 H new ATOM 0 HA ALA A 19 7.299 -6.481 16.888 1.00 32.35 H new ATOM 0 HB1 ALA A 19 7.191 -8.804 17.778 1.00 53.21 H new ATOM 0 HB2 ALA A 19 6.035 -7.733 18.605 1.00 53.21 H new ATOM 0 HB3 ALA A 19 5.461 -8.874 17.366 1.00 53.21 H new ATOM 311 N HIS A 20 5.935 -8.233 14.436 1.00 31.04 N ATOM 312 CA HIS A 20 6.172 -8.891 13.132 1.00 53.52 C ATOM 313 C HIS A 20 6.343 -7.824 12.011 1.00 71.32 C ATOM 314 O HIS A 20 5.515 -7.695 11.095 1.00 5.34 O ATOM 315 CB HIS A 20 5.003 -9.885 12.839 1.00 14.42 C ATOM 316 CG HIS A 20 5.261 -10.872 11.721 1.00 24.54 C ATOM 317 ND1 HIS A 20 5.803 -12.124 11.937 1.00 33.10 N ATOM 318 CD2 HIS A 20 5.032 -10.804 10.385 1.00 21.42 C ATOM 319 CE1 HIS A 20 5.899 -12.766 10.794 1.00 5.34 C ATOM 320 NE2 HIS A 20 5.439 -11.993 9.841 1.00 64.21 N ATOM 0 H HIS A 20 4.947 -8.139 14.670 1.00 31.04 H new ATOM 0 HA HIS A 20 7.099 -9.464 13.162 1.00 53.52 H new ATOM 0 HB2 HIS A 20 4.784 -10.442 13.750 1.00 14.42 H new ATOM 0 HB3 HIS A 20 4.110 -9.309 12.595 1.00 14.42 H new ATOM 0 HD2 HIS A 20 4.607 -9.967 9.850 1.00 21.42 H new ATOM 0 HE1 HIS A 20 6.291 -13.764 10.662 1.00 5.34 H new ATOM 0 HE2 HIS A 20 5.392 -12.238 8.852 1.00 64.21 H new ATOM 329 N LEU A 21 7.417 -7.027 12.128 1.00 10.40 N ATOM 330 CA LEU A 21 7.786 -6.002 11.130 1.00 51.20 C ATOM 331 C LEU A 21 8.681 -6.616 10.038 1.00 74.45 C ATOM 332 O LEU A 21 9.904 -6.715 10.198 1.00 33.50 O ATOM 333 CB LEU A 21 8.493 -4.802 11.818 1.00 11.04 C ATOM 334 CG LEU A 21 7.598 -3.928 12.751 1.00 72.33 C ATOM 335 CD1 LEU A 21 8.443 -2.917 13.557 1.00 1.31 C ATOM 336 CD2 LEU A 21 6.487 -3.205 11.946 1.00 73.22 C ATOM 0 H LEU A 21 8.059 -7.073 12.920 1.00 10.40 H new ATOM 0 HA LEU A 21 6.876 -5.632 10.657 1.00 51.20 H new ATOM 0 HB2 LEU A 21 9.329 -5.185 12.403 1.00 11.04 H new ATOM 0 HB3 LEU A 21 8.913 -4.160 11.044 1.00 11.04 H new ATOM 0 HG LEU A 21 7.115 -4.598 13.462 1.00 72.33 H new ATOM 0 HD11 LEU A 21 7.789 -2.324 14.197 1.00 1.31 H new ATOM 0 HD12 LEU A 21 9.163 -3.455 14.174 1.00 1.31 H new ATOM 0 HD13 LEU A 21 8.974 -2.258 12.870 1.00 1.31 H new ATOM 0 HD21 LEU A 21 5.880 -2.604 12.623 1.00 73.22 H new ATOM 0 HD22 LEU A 21 6.943 -2.558 11.196 1.00 73.22 H new ATOM 0 HD23 LEU A 21 5.856 -3.944 11.452 1.00 73.22 H new ATOM 348 N THR A 22 8.044 -7.076 8.953 1.00 4.25 N ATOM 349 CA THR A 22 8.736 -7.637 7.775 1.00 52.11 C ATOM 350 C THR A 22 9.390 -6.527 6.918 1.00 12.03 C ATOM 351 O THR A 22 9.194 -5.335 7.179 1.00 5.24 O ATOM 352 CB THR A 22 7.749 -8.486 6.899 1.00 21.34 C ATOM 353 OG1 THR A 22 6.602 -7.705 6.567 1.00 4.50 O ATOM 354 CG2 THR A 22 7.288 -9.758 7.626 1.00 41.25 C ATOM 0 H THR A 22 7.028 -7.071 8.863 1.00 4.25 H new ATOM 0 HA THR A 22 9.528 -8.289 8.144 1.00 52.11 H new ATOM 0 HB THR A 22 8.285 -8.780 5.997 1.00 21.34 H new ATOM 0 HG1 THR A 22 5.990 -8.239 6.019 1.00 4.50 H new ATOM 0 HG21 THR A 22 6.606 -10.317 6.985 1.00 41.25 H new ATOM 0 HG22 THR A 22 8.154 -10.377 7.861 1.00 41.25 H new ATOM 0 HG23 THR A 22 6.776 -9.484 8.549 1.00 41.25 H new ATOM 362 N ARG A 23 10.159 -6.940 5.889 1.00 74.34 N ATOM 363 CA ARG A 23 10.930 -6.025 5.001 1.00 10.33 C ATOM 364 C ARG A 23 10.040 -4.887 4.410 1.00 44.02 C ATOM 365 O ARG A 23 10.419 -3.712 4.400 1.00 54.35 O ATOM 366 CB ARG A 23 11.564 -6.864 3.858 1.00 71.22 C ATOM 367 CG ARG A 23 12.654 -6.148 3.026 1.00 74.51 C ATOM 368 CD ARG A 23 13.985 -5.975 3.790 1.00 44.33 C ATOM 369 NE ARG A 23 15.072 -5.498 2.904 1.00 14.02 N ATOM 370 CZ ARG A 23 15.925 -4.536 3.181 1.00 2.31 C ATOM 371 NH1 ARG A 23 15.834 -3.844 4.270 1.00 51.33 N ATOM 372 NH2 ARG A 23 16.874 -4.268 2.347 1.00 51.54 N ATOM 0 H ARG A 23 10.268 -7.924 5.644 1.00 74.34 H new ATOM 0 HA ARG A 23 11.706 -5.540 5.593 1.00 10.33 H new ATOM 0 HB2 ARG A 23 11.997 -7.766 4.291 1.00 71.22 H new ATOM 0 HB3 ARG A 23 10.770 -7.184 3.184 1.00 71.22 H new ATOM 0 HG2 ARG A 23 12.837 -6.715 2.114 1.00 74.51 H new ATOM 0 HG3 ARG A 23 12.286 -5.168 2.723 1.00 74.51 H new ATOM 0 HD2 ARG A 23 13.845 -5.267 4.607 1.00 44.33 H new ATOM 0 HD3 ARG A 23 14.273 -6.926 4.238 1.00 44.33 H new ATOM 0 HE ARG A 23 15.168 -5.957 1.998 1.00 14.02 H new ATOM 0 HH11 ARG A 23 15.088 -4.039 4.937 1.00 51.33 H new ATOM 0 HH12 ARG A 23 16.508 -3.103 4.461 1.00 51.33 H new ATOM 0 HH21 ARG A 23 16.958 -4.801 1.481 1.00 51.54 H new ATOM 0 HH22 ARG A 23 17.540 -3.524 2.554 1.00 51.54 H new ATOM 386 N ASP A 24 8.844 -5.274 3.958 1.00 42.21 N ATOM 387 CA ASP A 24 7.813 -4.358 3.413 1.00 72.41 C ATOM 388 C ASP A 24 7.203 -3.425 4.506 1.00 73.41 C ATOM 389 O ASP A 24 6.994 -2.238 4.246 1.00 32.21 O ATOM 390 CB ASP A 24 6.713 -5.204 2.710 1.00 54.04 C ATOM 391 CG ASP A 24 6.262 -6.407 3.564 1.00 1.12 C ATOM 392 OD1 ASP A 24 5.390 -6.251 4.426 1.00 2.40 O ATOM 393 OD2 ASP A 24 6.837 -7.505 3.409 1.00 20.13 O ATOM 0 H ASP A 24 8.550 -6.251 3.956 1.00 42.21 H new ATOM 0 HA ASP A 24 8.286 -3.695 2.689 1.00 72.41 H new ATOM 0 HB2 ASP A 24 5.852 -4.570 2.496 1.00 54.04 H new ATOM 0 HB3 ASP A 24 7.091 -5.563 1.752 1.00 54.04 H new ATOM 398 N GLU A 25 6.924 -3.975 5.718 1.00 52.53 N ATOM 399 CA GLU A 25 6.383 -3.192 6.872 1.00 3.21 C ATOM 400 C GLU A 25 7.319 -2.018 7.265 1.00 1.40 C ATOM 401 O GLU A 25 6.855 -0.910 7.577 1.00 64.41 O ATOM 402 CB GLU A 25 6.148 -4.120 8.101 1.00 15.43 C ATOM 403 CG GLU A 25 5.063 -5.217 7.928 1.00 3.11 C ATOM 404 CD GLU A 25 3.593 -4.725 7.876 1.00 33.24 C ATOM 405 OE1 GLU A 25 3.306 -3.549 8.210 1.00 51.12 O ATOM 406 OE2 GLU A 25 2.703 -5.539 7.522 1.00 3.34 O ATOM 0 H GLU A 25 7.065 -4.964 5.926 1.00 52.53 H new ATOM 0 HA GLU A 25 5.430 -2.767 6.555 1.00 3.21 H new ATOM 0 HB2 GLU A 25 7.091 -4.606 8.350 1.00 15.43 H new ATOM 0 HB3 GLU A 25 5.875 -3.498 8.954 1.00 15.43 H new ATOM 0 HG2 GLU A 25 5.273 -5.765 7.010 1.00 3.11 H new ATOM 0 HG3 GLU A 25 5.158 -5.926 8.751 1.00 3.11 H new ATOM 413 N LEU A 26 8.632 -2.281 7.224 1.00 11.12 N ATOM 414 CA LEU A 26 9.680 -1.272 7.507 1.00 2.30 C ATOM 415 C LEU A 26 9.654 -0.110 6.473 1.00 53.41 C ATOM 416 O LEU A 26 9.822 1.060 6.835 1.00 33.01 O ATOM 417 CB LEU A 26 11.069 -1.961 7.491 1.00 75.23 C ATOM 418 CG LEU A 26 11.258 -3.135 8.507 1.00 31.21 C ATOM 419 CD1 LEU A 26 12.580 -3.899 8.260 1.00 25.24 C ATOM 420 CD2 LEU A 26 11.160 -2.641 9.972 1.00 4.13 C ATOM 0 H LEU A 26 9.006 -3.201 6.993 1.00 11.12 H new ATOM 0 HA LEU A 26 9.485 -0.843 8.490 1.00 2.30 H new ATOM 0 HB2 LEU A 26 11.253 -2.342 6.486 1.00 75.23 H new ATOM 0 HB3 LEU A 26 11.830 -1.207 7.691 1.00 75.23 H new ATOM 0 HG LEU A 26 10.441 -3.837 8.341 1.00 31.21 H new ATOM 0 HD11 LEU A 26 12.675 -4.707 8.986 1.00 25.24 H new ATOM 0 HD12 LEU A 26 12.577 -4.315 7.253 1.00 25.24 H new ATOM 0 HD13 LEU A 26 13.421 -3.214 8.367 1.00 25.24 H new ATOM 0 HD21 LEU A 26 11.296 -3.484 10.650 1.00 4.13 H new ATOM 0 HD22 LEU A 26 11.935 -1.897 10.158 1.00 4.13 H new ATOM 0 HD23 LEU A 26 10.180 -2.194 10.141 1.00 4.13 H new ATOM 432 N ARG A 27 9.426 -0.470 5.189 1.00 54.24 N ATOM 433 CA ARG A 27 9.385 0.498 4.065 1.00 21.15 C ATOM 434 C ARG A 27 8.115 1.384 4.097 1.00 75.01 C ATOM 435 O ARG A 27 8.170 2.570 3.741 1.00 15.32 O ATOM 436 CB ARG A 27 9.462 -0.243 2.703 1.00 4.22 C ATOM 437 CG ARG A 27 10.776 -1.018 2.464 1.00 25.55 C ATOM 438 CD ARG A 27 10.868 -1.606 1.045 1.00 53.44 C ATOM 439 NE ARG A 27 10.815 -0.556 0.009 1.00 53.40 N ATOM 440 CZ ARG A 27 11.077 -0.727 -1.269 1.00 44.22 C ATOM 441 NH1 ARG A 27 11.453 -1.872 -1.744 1.00 24.32 N ATOM 442 NH2 ARG A 27 10.971 0.278 -2.072 1.00 75.11 N ATOM 0 H ARG A 27 9.266 -1.436 4.902 1.00 54.24 H new ATOM 0 HA ARG A 27 10.252 1.149 4.181 1.00 21.15 H new ATOM 0 HB2 ARG A 27 8.627 -0.941 2.637 1.00 4.22 H new ATOM 0 HB3 ARG A 27 9.334 0.484 1.901 1.00 4.22 H new ATOM 0 HG2 ARG A 27 11.622 -0.352 2.632 1.00 25.55 H new ATOM 0 HG3 ARG A 27 10.855 -1.824 3.193 1.00 25.55 H new ATOM 0 HD2 ARG A 27 11.796 -2.168 0.945 1.00 53.44 H new ATOM 0 HD3 ARG A 27 10.051 -2.310 0.890 1.00 53.44 H new ATOM 0 HE ARG A 27 10.553 0.383 0.310 1.00 53.40 H new ATOM 0 HH11 ARG A 27 11.554 -2.674 -1.122 1.00 24.32 H new ATOM 0 HH12 ARG A 27 11.648 -1.972 -2.740 1.00 24.32 H new ATOM 0 HH21 ARG A 27 10.687 1.190 -1.713 1.00 75.11 H new ATOM 0 HH22 ARG A 27 11.171 0.160 -3.065 1.00 75.11 H new ATOM 456 N ALA A 28 6.974 0.793 4.502 1.00 2.14 N ATOM 457 CA ALA A 28 5.689 1.518 4.617 1.00 34.13 C ATOM 458 C ALA A 28 5.763 2.597 5.712 1.00 24.25 C ATOM 459 O ALA A 28 5.416 3.754 5.477 1.00 52.53 O ATOM 460 CB ALA A 28 4.536 0.542 4.889 1.00 44.43 C ATOM 0 H ALA A 28 6.914 -0.193 4.757 1.00 2.14 H new ATOM 0 HA ALA A 28 5.495 2.016 3.667 1.00 34.13 H new ATOM 0 HB1 ALA A 28 3.601 1.097 4.970 1.00 44.43 H new ATOM 0 HB2 ALA A 28 4.464 -0.173 4.070 1.00 44.43 H new ATOM 0 HB3 ALA A 28 4.723 0.009 5.821 1.00 44.43 H new ATOM 466 N LYS A 29 6.262 2.195 6.893 1.00 24.21 N ATOM 467 CA LYS A 29 6.474 3.109 8.036 1.00 2.04 C ATOM 468 C LYS A 29 7.530 4.206 7.699 1.00 1.30 C ATOM 469 O LYS A 29 7.466 5.321 8.224 1.00 64.21 O ATOM 470 CB LYS A 29 6.892 2.295 9.286 1.00 74.13 C ATOM 471 CG LYS A 29 6.983 3.121 10.593 1.00 4.30 C ATOM 472 CD LYS A 29 7.437 2.272 11.801 1.00 43.44 C ATOM 473 CE LYS A 29 7.600 3.103 13.087 1.00 54.33 C ATOM 474 NZ LYS A 29 8.169 2.302 14.205 1.00 63.03 N ATOM 0 H LYS A 29 6.530 1.230 7.085 1.00 24.21 H new ATOM 0 HA LYS A 29 5.536 3.623 8.249 1.00 2.04 H new ATOM 0 HB2 LYS A 29 6.177 1.486 9.432 1.00 74.13 H new ATOM 0 HB3 LYS A 29 7.861 1.833 9.095 1.00 74.13 H new ATOM 0 HG2 LYS A 29 7.682 3.945 10.450 1.00 4.30 H new ATOM 0 HG3 LYS A 29 6.010 3.562 10.809 1.00 4.30 H new ATOM 0 HD2 LYS A 29 6.710 1.479 11.976 1.00 43.44 H new ATOM 0 HD3 LYS A 29 8.385 1.788 11.564 1.00 43.44 H new ATOM 0 HE2 LYS A 29 8.248 3.956 12.887 1.00 54.33 H new ATOM 0 HE3 LYS A 29 6.631 3.502 13.385 1.00 54.33 H new ATOM 0 HZ1 LYS A 29 8.261 2.901 15.050 1.00 63.03 H new ATOM 0 HZ2 LYS A 29 7.538 1.502 14.415 1.00 63.03 H new ATOM 0 HZ3 LYS A 29 9.106 1.942 13.932 1.00 63.03 H new ATOM 488 N ALA A 30 8.473 3.884 6.789 1.00 10.21 N ATOM 489 CA ALA A 30 9.465 4.858 6.274 1.00 14.23 C ATOM 490 C ALA A 30 8.787 5.991 5.454 1.00 1.20 C ATOM 491 O ALA A 30 9.134 7.167 5.603 1.00 72.23 O ATOM 492 CB ALA A 30 10.538 4.138 5.439 1.00 2.02 C ATOM 0 H ALA A 30 8.570 2.950 6.392 1.00 10.21 H new ATOM 0 HA ALA A 30 9.948 5.327 7.131 1.00 14.23 H new ATOM 0 HB1 ALA A 30 11.259 4.866 5.068 1.00 2.02 H new ATOM 0 HB2 ALA A 30 11.051 3.404 6.060 1.00 2.02 H new ATOM 0 HB3 ALA A 30 10.065 3.633 4.596 1.00 2.02 H new ATOM 498 N LEU A 31 7.808 5.622 4.598 1.00 72.43 N ATOM 499 CA LEU A 31 6.989 6.600 3.822 1.00 44.12 C ATOM 500 C LEU A 31 5.792 7.163 4.644 1.00 45.24 C ATOM 501 O LEU A 31 5.083 8.054 4.159 1.00 74.43 O ATOM 502 CB LEU A 31 6.465 5.946 2.512 1.00 2.51 C ATOM 503 CG LEU A 31 7.540 5.589 1.435 1.00 62.34 C ATOM 504 CD1 LEU A 31 6.888 4.916 0.211 1.00 64.10 C ATOM 505 CD2 LEU A 31 8.348 6.841 1.002 1.00 21.12 C ATOM 0 H LEU A 31 7.559 4.649 4.421 1.00 72.43 H new ATOM 0 HA LEU A 31 7.643 7.438 3.581 1.00 44.12 H new ATOM 0 HB2 LEU A 31 5.930 5.034 2.776 1.00 2.51 H new ATOM 0 HB3 LEU A 31 5.739 6.622 2.059 1.00 2.51 H new ATOM 0 HG LEU A 31 8.236 4.883 1.888 1.00 62.34 H new ATOM 0 HD11 LEU A 31 7.656 4.677 -0.525 1.00 64.10 H new ATOM 0 HD12 LEU A 31 6.387 4.000 0.523 1.00 64.10 H new ATOM 0 HD13 LEU A 31 6.159 5.595 -0.232 1.00 64.10 H new ATOM 0 HD21 LEU A 31 9.086 6.556 0.252 1.00 21.12 H new ATOM 0 HD22 LEU A 31 7.670 7.583 0.580 1.00 21.12 H new ATOM 0 HD23 LEU A 31 8.856 7.264 1.869 1.00 21.12 H new ATOM 517 N HIS A 32 5.590 6.630 5.871 1.00 54.24 N ATOM 518 CA HIS A 32 4.473 7.001 6.779 1.00 73.25 C ATOM 519 C HIS A 32 3.092 6.668 6.131 1.00 43.52 C ATOM 520 O HIS A 32 2.179 7.500 6.079 1.00 24.41 O ATOM 521 CB HIS A 32 4.589 8.499 7.229 1.00 14.01 C ATOM 522 CG HIS A 32 3.689 8.903 8.387 1.00 13.12 C ATOM 523 ND1 HIS A 32 2.373 9.286 8.227 1.00 60.24 N ATOM 524 CD2 HIS A 32 3.930 9.000 9.719 1.00 73.43 C ATOM 525 CE1 HIS A 32 1.854 9.596 9.391 1.00 32.23 C ATOM 526 NE2 HIS A 32 2.774 9.432 10.313 1.00 22.31 N ATOM 0 H HIS A 32 6.206 5.920 6.267 1.00 54.24 H new ATOM 0 HA HIS A 32 4.545 6.398 7.684 1.00 73.25 H new ATOM 0 HB2 HIS A 32 5.624 8.698 7.508 1.00 14.01 H new ATOM 0 HB3 HIS A 32 4.361 9.136 6.374 1.00 14.01 H new ATOM 0 HD1 HIS A 32 1.878 9.323 7.336 1.00 60.24 H new ATOM 0 HD2 HIS A 32 4.861 8.778 10.218 1.00 73.43 H new ATOM 0 HE1 HIS A 32 0.841 9.930 9.562 1.00 32.23 H new ATOM 535 N ILE A 33 2.976 5.431 5.617 1.00 52.13 N ATOM 536 CA ILE A 33 1.710 4.882 5.082 1.00 72.13 C ATOM 537 C ILE A 33 0.726 4.612 6.260 1.00 60.12 C ATOM 538 O ILE A 33 1.100 3.937 7.221 1.00 71.34 O ATOM 539 CB ILE A 33 1.979 3.554 4.258 1.00 44.14 C ATOM 540 CG1 ILE A 33 2.966 3.821 3.068 1.00 31.42 C ATOM 541 CG2 ILE A 33 0.667 2.897 3.746 1.00 50.04 C ATOM 542 CD1 ILE A 33 2.479 4.828 2.033 1.00 42.03 C ATOM 0 H ILE A 33 3.758 4.779 5.559 1.00 52.13 H new ATOM 0 HA ILE A 33 1.263 5.608 4.403 1.00 72.13 H new ATOM 0 HB ILE A 33 2.444 2.847 4.945 1.00 44.14 H new ATOM 0 HG12 ILE A 33 3.914 4.173 3.475 1.00 31.42 H new ATOM 0 HG13 ILE A 33 3.167 2.875 2.565 1.00 31.42 H new ATOM 0 HG21 ILE A 33 0.907 1.992 3.188 1.00 50.04 H new ATOM 0 HG22 ILE A 33 0.032 2.643 4.595 1.00 50.04 H new ATOM 0 HG23 ILE A 33 0.140 3.595 3.095 1.00 50.04 H new ATOM 0 HD11 ILE A 33 3.232 4.942 1.253 1.00 42.03 H new ATOM 0 HD12 ILE A 33 1.549 4.473 1.590 1.00 42.03 H new ATOM 0 HD13 ILE A 33 2.307 5.791 2.515 1.00 42.03 H new ATOM 554 N PRO A 34 -0.545 5.153 6.215 1.00 55.45 N ATOM 555 CA PRO A 34 -1.521 5.050 7.351 1.00 24.20 C ATOM 556 C PRO A 34 -1.989 3.608 7.684 1.00 64.44 C ATOM 557 O PRO A 34 -2.648 3.389 8.708 1.00 61.53 O ATOM 558 CB PRO A 34 -2.723 5.928 6.876 1.00 42.33 C ATOM 559 CG PRO A 34 -2.169 6.785 5.773 1.00 23.14 C ATOM 560 CD PRO A 34 -1.126 5.931 5.090 1.00 23.21 C ATOM 0 HA PRO A 34 -1.058 5.378 8.282 1.00 24.20 H new ATOM 0 HB2 PRO A 34 -3.546 5.309 6.519 1.00 42.33 H new ATOM 0 HB3 PRO A 34 -3.113 6.538 7.691 1.00 42.33 H new ATOM 0 HG2 PRO A 34 -2.952 7.083 5.075 1.00 23.14 H new ATOM 0 HG3 PRO A 34 -1.730 7.701 6.169 1.00 23.14 H new ATOM 0 HD2 PRO A 34 -1.568 5.281 4.335 1.00 23.21 H new ATOM 0 HD3 PRO A 34 -0.373 6.538 4.587 1.00 23.21 H new ATOM 568 N PHE A 35 -1.657 2.638 6.813 1.00 14.54 N ATOM 569 CA PHE A 35 -2.119 1.235 6.936 1.00 43.20 C ATOM 570 C PHE A 35 -0.941 0.282 7.265 1.00 3.44 C ATOM 571 O PHE A 35 0.205 0.559 6.883 1.00 1.14 O ATOM 572 CB PHE A 35 -2.776 0.755 5.605 1.00 44.05 C ATOM 573 CG PHE A 35 -3.582 1.823 4.881 1.00 43.01 C ATOM 574 CD1 PHE A 35 -4.854 2.185 5.317 1.00 12.41 C ATOM 575 CD2 PHE A 35 -3.046 2.487 3.776 1.00 15.24 C ATOM 576 CE1 PHE A 35 -5.564 3.169 4.667 1.00 52.43 C ATOM 577 CE2 PHE A 35 -3.755 3.470 3.133 1.00 21.52 C ATOM 578 CZ PHE A 35 -5.013 3.812 3.577 1.00 11.51 C ATOM 0 H PHE A 35 -1.060 2.800 6.002 1.00 14.54 H new ATOM 0 HA PHE A 35 -2.847 1.208 7.747 1.00 43.20 H new ATOM 0 HB2 PHE A 35 -1.994 0.393 4.938 1.00 44.05 H new ATOM 0 HB3 PHE A 35 -3.428 -0.091 5.821 1.00 44.05 H new ATOM 0 HD1 PHE A 35 -5.287 1.689 6.173 1.00 12.41 H new ATOM 0 HD2 PHE A 35 -2.060 2.223 3.423 1.00 15.24 H new ATOM 0 HE1 PHE A 35 -6.552 3.438 5.010 1.00 52.43 H new ATOM 0 HE2 PHE A 35 -3.327 3.975 2.280 1.00 21.52 H new ATOM 0 HZ PHE A 35 -5.570 4.586 3.071 1.00 11.51 H new ATOM 588 N PRO A 36 -1.207 -0.865 7.966 1.00 30.14 N ATOM 589 CA PRO A 36 -0.290 -2.032 7.942 1.00 31.22 C ATOM 590 C PRO A 36 -0.247 -2.643 6.516 1.00 33.21 C ATOM 591 O PRO A 36 -1.276 -2.674 5.833 1.00 51.11 O ATOM 592 CB PRO A 36 -0.923 -3.016 8.970 1.00 42.05 C ATOM 593 CG PRO A 36 -1.830 -2.158 9.811 1.00 2.05 C ATOM 594 CD PRO A 36 -2.364 -1.102 8.868 1.00 12.34 C ATOM 0 HA PRO A 36 0.741 -1.784 8.193 1.00 31.22 H new ATOM 0 HB2 PRO A 36 -1.479 -3.808 8.469 1.00 42.05 H new ATOM 0 HB3 PRO A 36 -0.158 -3.499 9.578 1.00 42.05 H new ATOM 0 HG2 PRO A 36 -2.640 -2.746 10.243 1.00 2.05 H new ATOM 0 HG3 PRO A 36 -1.287 -1.706 10.641 1.00 2.05 H new ATOM 0 HD2 PRO A 36 -3.240 -1.451 8.322 1.00 12.34 H new ATOM 0 HD3 PRO A 36 -2.659 -0.196 9.398 1.00 12.34 H new ATOM 602 N VAL A 37 0.927 -3.130 6.077 1.00 34.14 N ATOM 603 CA VAL A 37 1.135 -3.607 4.683 1.00 54.23 C ATOM 604 C VAL A 37 0.176 -4.763 4.285 1.00 21.13 C ATOM 605 O VAL A 37 -0.247 -4.847 3.123 1.00 12.23 O ATOM 606 CB VAL A 37 2.629 -4.030 4.466 1.00 63.13 C ATOM 607 CG1 VAL A 37 2.863 -4.713 3.109 1.00 20.42 C ATOM 608 CG2 VAL A 37 3.564 -2.817 4.629 1.00 31.25 C ATOM 0 H VAL A 37 1.756 -3.207 6.666 1.00 34.14 H new ATOM 0 HA VAL A 37 0.898 -2.769 4.027 1.00 54.23 H new ATOM 0 HB VAL A 37 2.862 -4.767 5.234 1.00 63.13 H new ATOM 0 HG11 VAL A 37 3.915 -4.984 3.014 1.00 20.42 H new ATOM 0 HG12 VAL A 37 2.250 -5.612 3.043 1.00 20.42 H new ATOM 0 HG13 VAL A 37 2.591 -4.029 2.305 1.00 20.42 H new ATOM 0 HG21 VAL A 37 4.597 -3.130 4.475 1.00 31.25 H new ATOM 0 HG22 VAL A 37 3.303 -2.055 3.895 1.00 31.25 H new ATOM 0 HG23 VAL A 37 3.456 -2.406 5.633 1.00 31.25 H new ATOM 618 N GLU A 38 -0.185 -5.620 5.259 1.00 1.02 N ATOM 619 CA GLU A 38 -1.158 -6.718 5.046 1.00 24.23 C ATOM 620 C GLU A 38 -2.502 -6.210 4.446 1.00 74.41 C ATOM 621 O GLU A 38 -3.096 -6.902 3.631 1.00 43.45 O ATOM 622 CB GLU A 38 -1.404 -7.494 6.363 1.00 51.30 C ATOM 623 CG GLU A 38 -0.140 -8.181 6.936 1.00 31.21 C ATOM 624 CD GLU A 38 -0.425 -9.135 8.112 1.00 14.54 C ATOM 625 OE1 GLU A 38 -0.488 -8.673 9.274 1.00 55.53 O ATOM 626 OE2 GLU A 38 -0.590 -10.357 7.877 1.00 72.24 O ATOM 0 H GLU A 38 0.184 -5.575 6.209 1.00 1.02 H new ATOM 0 HA GLU A 38 -0.719 -7.397 4.315 1.00 24.23 H new ATOM 0 HB2 GLU A 38 -1.801 -6.806 7.109 1.00 51.30 H new ATOM 0 HB3 GLU A 38 -2.169 -8.251 6.189 1.00 51.30 H new ATOM 0 HG2 GLU A 38 0.351 -8.740 6.139 1.00 31.21 H new ATOM 0 HG3 GLU A 38 0.561 -7.414 7.265 1.00 31.21 H new ATOM 633 N LYS A 39 -2.942 -4.989 4.839 1.00 20.13 N ATOM 634 CA LYS A 39 -4.115 -4.301 4.218 1.00 24.05 C ATOM 635 C LYS A 39 -3.950 -4.146 2.687 1.00 30.05 C ATOM 636 O LYS A 39 -4.827 -4.549 1.925 1.00 13.12 O ATOM 637 CB LYS A 39 -4.349 -2.899 4.873 1.00 1.13 C ATOM 638 CG LYS A 39 -5.196 -2.936 6.159 1.00 74.20 C ATOM 639 CD LYS A 39 -6.669 -3.311 5.855 1.00 32.22 C ATOM 640 CE LYS A 39 -7.517 -3.477 7.118 1.00 21.00 C ATOM 641 NZ LYS A 39 -7.028 -4.590 7.971 1.00 34.50 N ATOM 0 H LYS A 39 -2.503 -4.453 5.587 1.00 20.13 H new ATOM 0 HA LYS A 39 -4.986 -4.930 4.400 1.00 24.05 H new ATOM 0 HB2 LYS A 39 -3.382 -2.451 5.101 1.00 1.13 H new ATOM 0 HB3 LYS A 39 -4.838 -2.249 4.148 1.00 1.13 H new ATOM 0 HG2 LYS A 39 -4.771 -3.659 6.856 1.00 74.20 H new ATOM 0 HG3 LYS A 39 -5.160 -1.963 6.648 1.00 74.20 H new ATOM 0 HD2 LYS A 39 -7.112 -2.539 5.226 1.00 32.22 H new ATOM 0 HD3 LYS A 39 -6.691 -4.239 5.284 1.00 32.22 H new ATOM 0 HE2 LYS A 39 -7.503 -2.549 7.689 1.00 21.00 H new ATOM 0 HE3 LYS A 39 -8.554 -3.663 6.837 1.00 21.00 H new ATOM 0 HZ1 LYS A 39 -7.735 -4.803 8.703 1.00 34.50 H new ATOM 0 HZ2 LYS A 39 -6.872 -5.434 7.384 1.00 34.50 H new ATOM 0 HZ3 LYS A 39 -6.134 -4.313 8.424 1.00 34.50 H new ATOM 655 N ILE A 40 -2.796 -3.599 2.269 1.00 51.31 N ATOM 656 CA ILE A 40 -2.472 -3.358 0.843 1.00 21.34 C ATOM 657 C ILE A 40 -2.415 -4.708 0.056 1.00 31.22 C ATOM 658 O ILE A 40 -2.863 -4.790 -1.092 1.00 72.55 O ATOM 659 CB ILE A 40 -1.107 -2.548 0.684 1.00 21.23 C ATOM 660 CG1 ILE A 40 -1.202 -1.080 1.245 1.00 63.51 C ATOM 661 CG2 ILE A 40 -0.629 -2.498 -0.780 1.00 44.13 C ATOM 662 CD1 ILE A 40 -1.200 -0.946 2.759 1.00 41.51 C ATOM 0 H ILE A 40 -2.056 -3.309 2.908 1.00 51.31 H new ATOM 0 HA ILE A 40 -3.268 -2.746 0.419 1.00 21.34 H new ATOM 0 HB ILE A 40 -0.378 -3.098 1.279 1.00 21.23 H new ATOM 0 HG12 ILE A 40 -0.365 -0.505 0.848 1.00 63.51 H new ATOM 0 HG13 ILE A 40 -2.114 -0.623 0.860 1.00 63.51 H new ATOM 0 HG21 ILE A 40 0.303 -1.937 -0.839 1.00 44.13 H new ATOM 0 HG22 ILE A 40 -0.466 -3.512 -1.144 1.00 44.13 H new ATOM 0 HG23 ILE A 40 -1.386 -2.010 -1.393 1.00 44.13 H new ATOM 0 HD11 ILE A 40 -1.269 0.107 3.031 1.00 41.51 H new ATOM 0 HD12 ILE A 40 -2.052 -1.484 3.173 1.00 41.51 H new ATOM 0 HD13 ILE A 40 -0.277 -1.365 3.160 1.00 41.51 H new ATOM 674 N ILE A 41 -1.886 -5.759 0.719 1.00 21.10 N ATOM 675 CA ILE A 41 -1.818 -7.136 0.168 1.00 40.44 C ATOM 676 C ILE A 41 -3.237 -7.760 -0.021 1.00 64.05 C ATOM 677 O ILE A 41 -3.504 -8.432 -1.031 1.00 63.50 O ATOM 678 CB ILE A 41 -0.949 -8.067 1.108 1.00 30.10 C ATOM 679 CG1 ILE A 41 0.524 -7.544 1.193 1.00 15.15 C ATOM 680 CG2 ILE A 41 -0.988 -9.551 0.654 1.00 41.10 C ATOM 681 CD1 ILE A 41 1.436 -8.309 2.148 1.00 61.50 C ATOM 0 H ILE A 41 -1.491 -5.679 1.656 1.00 21.10 H new ATOM 0 HA ILE A 41 -1.347 -7.066 -0.812 1.00 40.44 H new ATOM 0 HB ILE A 41 -1.388 -8.027 2.105 1.00 30.10 H new ATOM 0 HG12 ILE A 41 0.961 -7.577 0.195 1.00 15.15 H new ATOM 0 HG13 ILE A 41 0.503 -6.498 1.497 1.00 15.15 H new ATOM 0 HG21 ILE A 41 -0.378 -10.154 1.327 1.00 41.10 H new ATOM 0 HG22 ILE A 41 -2.017 -9.911 0.676 1.00 41.10 H new ATOM 0 HG23 ILE A 41 -0.597 -9.632 -0.360 1.00 41.10 H new ATOM 0 HD11 ILE A 41 2.432 -7.867 2.132 1.00 61.50 H new ATOM 0 HD12 ILE A 41 1.031 -8.256 3.159 1.00 61.50 H new ATOM 0 HD13 ILE A 41 1.497 -9.352 1.836 1.00 61.50 H new ATOM 693 N ASN A 42 -4.138 -7.525 0.956 1.00 35.41 N ATOM 694 CA ASN A 42 -5.494 -8.129 0.967 1.00 62.32 C ATOM 695 C ASN A 42 -6.459 -7.436 -0.025 1.00 61.24 C ATOM 696 O ASN A 42 -7.436 -8.051 -0.459 1.00 41.45 O ATOM 697 CB ASN A 42 -6.109 -8.092 2.396 1.00 63.33 C ATOM 698 CG ASN A 42 -5.322 -8.886 3.454 1.00 13.53 C ATOM 699 OD1 ASN A 42 -4.615 -9.930 3.061 1.00 11.02 O flip ATOM 700 ND2 ASN A 42 -5.348 -8.552 4.634 1.00 31.30 N flip ATOM 0 H ASN A 42 -3.952 -6.918 1.754 1.00 35.41 H new ATOM 0 HA ASN A 42 -5.370 -9.164 0.649 1.00 62.32 H new ATOM 0 HB2 ASN A 42 -6.181 -7.054 2.719 1.00 63.33 H new ATOM 0 HB3 ASN A 42 -7.126 -8.482 2.350 1.00 63.33 H new ATOM 0 HD21 ASN A 42 -5.898 -7.743 4.923 1.00 31.30 H new ATOM 0 HD22 ASN A 42 -4.819 -9.083 5.326 1.00 31.30 H new ATOM 707 N LEU A 43 -6.187 -6.161 -0.353 1.00 44.14 N ATOM 708 CA LEU A 43 -7.034 -5.358 -1.268 1.00 71.32 C ATOM 709 C LEU A 43 -6.595 -5.530 -2.761 1.00 30.54 C ATOM 710 O LEU A 43 -5.525 -5.040 -3.158 1.00 50.13 O ATOM 711 CB LEU A 43 -6.987 -3.855 -0.848 1.00 64.42 C ATOM 712 CG LEU A 43 -7.519 -3.513 0.586 1.00 50.33 C ATOM 713 CD1 LEU A 43 -7.383 -2.003 0.893 1.00 53.34 C ATOM 714 CD2 LEU A 43 -8.976 -3.997 0.795 1.00 30.13 C ATOM 0 H LEU A 43 -5.377 -5.654 0.005 1.00 44.14 H new ATOM 0 HA LEU A 43 -8.059 -5.720 -1.189 1.00 71.32 H new ATOM 0 HB2 LEU A 43 -5.955 -3.513 -0.919 1.00 64.42 H new ATOM 0 HB3 LEU A 43 -7.564 -3.280 -1.572 1.00 64.42 H new ATOM 0 HG LEU A 43 -6.894 -4.056 1.295 1.00 50.33 H new ATOM 0 HD11 LEU A 43 -7.761 -1.800 1.895 1.00 53.34 H new ATOM 0 HD12 LEU A 43 -6.334 -1.713 0.835 1.00 53.34 H new ATOM 0 HD13 LEU A 43 -7.958 -1.431 0.165 1.00 53.34 H new ATOM 0 HD21 LEU A 43 -9.304 -3.739 1.802 1.00 30.13 H new ATOM 0 HD22 LEU A 43 -9.628 -3.515 0.066 1.00 30.13 H new ATOM 0 HD23 LEU A 43 -9.023 -5.078 0.664 1.00 30.13 H new ATOM 726 N PRO A 44 -7.412 -6.251 -3.619 1.00 3.24 N ATOM 727 CA PRO A 44 -7.173 -6.336 -5.087 1.00 12.51 C ATOM 728 C PRO A 44 -7.556 -5.019 -5.820 1.00 43.31 C ATOM 729 O PRO A 44 -7.870 -4.030 -5.174 1.00 4.12 O ATOM 730 CB PRO A 44 -8.071 -7.537 -5.544 1.00 4.11 C ATOM 731 CG PRO A 44 -8.591 -8.154 -4.273 1.00 11.15 C ATOM 732 CD PRO A 44 -8.595 -7.052 -3.243 1.00 55.54 C ATOM 0 HA PRO A 44 -6.120 -6.484 -5.326 1.00 12.51 H new ATOM 0 HB2 PRO A 44 -8.889 -7.197 -6.179 1.00 4.11 H new ATOM 0 HB3 PRO A 44 -7.496 -8.259 -6.125 1.00 4.11 H new ATOM 0 HG2 PRO A 44 -9.594 -8.556 -4.417 1.00 11.15 H new ATOM 0 HG3 PRO A 44 -7.958 -8.982 -3.955 1.00 11.15 H new ATOM 0 HD2 PRO A 44 -9.512 -6.464 -3.283 1.00 55.54 H new ATOM 0 HD3 PRO A 44 -8.513 -7.445 -2.230 1.00 55.54 H new ATOM 740 N VAL A 45 -7.540 -5.031 -7.171 1.00 63.04 N ATOM 741 CA VAL A 45 -7.815 -3.825 -8.007 1.00 70.15 C ATOM 742 C VAL A 45 -9.157 -3.128 -7.656 1.00 42.33 C ATOM 743 O VAL A 45 -9.157 -1.950 -7.287 1.00 34.41 O ATOM 744 CB VAL A 45 -7.733 -4.177 -9.545 1.00 40.51 C ATOM 745 CG1 VAL A 45 -8.225 -3.019 -10.454 1.00 60.01 C ATOM 746 CG2 VAL A 45 -6.283 -4.578 -9.916 1.00 60.40 C ATOM 0 H VAL A 45 -7.338 -5.868 -7.717 1.00 63.04 H new ATOM 0 HA VAL A 45 -7.034 -3.102 -7.774 1.00 70.15 H new ATOM 0 HB VAL A 45 -8.404 -5.018 -9.721 1.00 40.51 H new ATOM 0 HG11 VAL A 45 -8.146 -3.318 -11.499 1.00 60.01 H new ATOM 0 HG12 VAL A 45 -9.265 -2.789 -10.220 1.00 60.01 H new ATOM 0 HG13 VAL A 45 -7.611 -2.135 -10.282 1.00 60.01 H new ATOM 0 HG21 VAL A 45 -6.233 -4.820 -10.978 1.00 60.40 H new ATOM 0 HG22 VAL A 45 -5.610 -3.748 -9.700 1.00 60.40 H new ATOM 0 HG23 VAL A 45 -5.985 -5.448 -9.331 1.00 60.40 H new ATOM 756 N VAL A 46 -10.269 -3.874 -7.720 1.00 24.14 N ATOM 757 CA VAL A 46 -11.624 -3.325 -7.459 1.00 11.11 C ATOM 758 C VAL A 46 -11.739 -2.715 -6.032 1.00 3.43 C ATOM 759 O VAL A 46 -12.115 -1.549 -5.864 1.00 0.42 O ATOM 760 CB VAL A 46 -12.728 -4.437 -7.648 1.00 12.14 C ATOM 761 CG1 VAL A 46 -14.152 -3.882 -7.412 1.00 53.33 C ATOM 762 CG2 VAL A 46 -12.623 -5.104 -9.041 1.00 43.52 C ATOM 0 H VAL A 46 -10.265 -4.867 -7.951 1.00 24.14 H new ATOM 0 HA VAL A 46 -11.786 -2.528 -8.185 1.00 11.11 H new ATOM 0 HB VAL A 46 -12.543 -5.200 -6.891 1.00 12.14 H new ATOM 0 HG11 VAL A 46 -14.881 -4.680 -7.552 1.00 53.33 H new ATOM 0 HG12 VAL A 46 -14.228 -3.495 -6.396 1.00 53.33 H new ATOM 0 HG13 VAL A 46 -14.352 -3.079 -8.122 1.00 53.33 H new ATOM 0 HG21 VAL A 46 -13.397 -5.865 -9.139 1.00 43.52 H new ATOM 0 HG22 VAL A 46 -12.755 -4.350 -9.817 1.00 43.52 H new ATOM 0 HG23 VAL A 46 -11.643 -5.568 -9.149 1.00 43.52 H new ATOM 772 N ASP A 47 -11.367 -3.517 -5.024 1.00 62.10 N ATOM 773 CA ASP A 47 -11.506 -3.156 -3.596 1.00 2.04 C ATOM 774 C ASP A 47 -10.565 -1.994 -3.169 1.00 50.34 C ATOM 775 O ASP A 47 -10.968 -1.123 -2.389 1.00 72.13 O ATOM 776 CB ASP A 47 -11.244 -4.405 -2.726 1.00 33.12 C ATOM 777 CG ASP A 47 -12.178 -5.577 -3.079 1.00 22.50 C ATOM 778 OD1 ASP A 47 -11.878 -6.323 -4.035 1.00 63.04 O ATOM 779 OD2 ASP A 47 -13.225 -5.742 -2.414 1.00 53.53 O ATOM 0 H ASP A 47 -10.959 -4.440 -5.172 1.00 62.10 H new ATOM 0 HA ASP A 47 -12.525 -2.798 -3.447 1.00 2.04 H new ATOM 0 HB2 ASP A 47 -10.208 -4.720 -2.851 1.00 33.12 H new ATOM 0 HB3 ASP A 47 -11.373 -4.145 -1.675 1.00 33.12 H new ATOM 784 N PHE A 48 -9.323 -1.988 -3.692 1.00 55.14 N ATOM 785 CA PHE A 48 -8.288 -0.994 -3.312 1.00 52.31 C ATOM 786 C PHE A 48 -8.586 0.413 -3.885 1.00 2.45 C ATOM 787 O PHE A 48 -8.426 1.428 -3.180 1.00 11.03 O ATOM 788 CB PHE A 48 -6.874 -1.461 -3.758 1.00 23.11 C ATOM 789 CG PHE A 48 -5.776 -0.470 -3.385 1.00 41.13 C ATOM 790 CD1 PHE A 48 -5.487 -0.227 -2.042 1.00 5.22 C ATOM 791 CD2 PHE A 48 -5.096 0.269 -4.358 1.00 54.24 C ATOM 792 CE1 PHE A 48 -4.549 0.709 -1.678 1.00 12.23 C ATOM 793 CE2 PHE A 48 -4.162 1.217 -3.991 1.00 24.02 C ATOM 794 CZ PHE A 48 -3.890 1.435 -2.649 1.00 21.43 C ATOM 0 H PHE A 48 -9.006 -2.665 -4.386 1.00 55.14 H new ATOM 0 HA PHE A 48 -8.312 -0.921 -2.225 1.00 52.31 H new ATOM 0 HB2 PHE A 48 -6.655 -2.426 -3.302 1.00 23.11 H new ATOM 0 HB3 PHE A 48 -6.870 -1.610 -4.838 1.00 23.11 H new ATOM 0 HD1 PHE A 48 -6.008 -0.783 -1.277 1.00 5.22 H new ATOM 0 HD2 PHE A 48 -5.303 0.097 -5.404 1.00 54.24 H new ATOM 0 HE1 PHE A 48 -4.328 0.876 -0.634 1.00 12.23 H new ATOM 0 HE2 PHE A 48 -3.644 1.788 -4.748 1.00 24.02 H new ATOM 0 HZ PHE A 48 -3.159 2.176 -2.362 1.00 21.43 H new ATOM 804 N ASN A 49 -9.005 0.457 -5.165 1.00 22.22 N ATOM 805 CA ASN A 49 -9.302 1.720 -5.886 1.00 13.33 C ATOM 806 C ASN A 49 -10.358 2.596 -5.161 1.00 45.34 C ATOM 807 O ASN A 49 -10.354 3.815 -5.324 1.00 53.51 O ATOM 808 CB ASN A 49 -9.729 1.431 -7.354 1.00 52.12 C ATOM 809 CG ASN A 49 -8.582 0.899 -8.229 1.00 43.53 C ATOM 810 OD1 ASN A 49 -7.404 1.132 -7.961 1.00 14.40 O ATOM 811 ND2 ASN A 49 -8.917 0.200 -9.296 1.00 1.30 N ATOM 0 H ASN A 49 -9.148 -0.379 -5.732 1.00 22.22 H new ATOM 0 HA ASN A 49 -8.378 2.298 -5.898 1.00 13.33 H new ATOM 0 HB2 ASN A 49 -10.542 0.705 -7.352 1.00 52.12 H new ATOM 0 HB3 ASN A 49 -10.120 2.346 -7.798 1.00 52.12 H new ATOM 0 HD21 ASN A 49 -8.193 -0.159 -9.918 1.00 1.30 H new ATOM 0 HD22 ASN A 49 -9.900 0.019 -9.499 1.00 1.30 H new ATOM 818 N GLU A 50 -11.253 1.954 -4.373 1.00 73.02 N ATOM 819 CA GLU A 50 -12.243 2.653 -3.517 1.00 35.35 C ATOM 820 C GLU A 50 -11.566 3.654 -2.528 1.00 61.30 C ATOM 821 O GLU A 50 -11.974 4.817 -2.440 1.00 51.32 O ATOM 822 CB GLU A 50 -13.062 1.610 -2.708 1.00 1.25 C ATOM 823 CG GLU A 50 -14.083 2.211 -1.711 1.00 40.41 C ATOM 824 CD GLU A 50 -14.672 1.185 -0.726 1.00 74.53 C ATOM 825 OE1 GLU A 50 -13.894 0.550 0.017 1.00 25.42 O ATOM 826 OE2 GLU A 50 -15.912 1.035 -0.658 1.00 11.35 O ATOM 0 H GLU A 50 -11.310 0.937 -4.312 1.00 73.02 H new ATOM 0 HA GLU A 50 -12.897 3.225 -4.175 1.00 35.35 H new ATOM 0 HB2 GLU A 50 -13.596 0.967 -3.408 1.00 1.25 H new ATOM 0 HB3 GLU A 50 -12.369 0.975 -2.156 1.00 1.25 H new ATOM 0 HG2 GLU A 50 -13.598 3.006 -1.145 1.00 40.41 H new ATOM 0 HG3 GLU A 50 -14.897 2.670 -2.272 1.00 40.41 H new ATOM 833 N MET A 51 -10.518 3.185 -1.815 1.00 14.50 N ATOM 834 CA MET A 51 -9.805 3.989 -0.785 1.00 3.02 C ATOM 835 C MET A 51 -8.972 5.127 -1.424 1.00 13.11 C ATOM 836 O MET A 51 -8.976 6.270 -0.944 1.00 33.35 O ATOM 837 CB MET A 51 -8.891 3.065 0.062 1.00 14.42 C ATOM 838 CG MET A 51 -8.126 3.780 1.190 1.00 45.54 C ATOM 839 SD MET A 51 -9.235 4.618 2.346 1.00 34.34 S ATOM 840 CE MET A 51 -8.077 5.528 3.369 1.00 10.21 C ATOM 0 H MET A 51 -10.141 2.245 -1.933 1.00 14.50 H new ATOM 0 HA MET A 51 -10.553 4.451 -0.141 1.00 3.02 H new ATOM 0 HB2 MET A 51 -9.501 2.274 0.499 1.00 14.42 H new ATOM 0 HB3 MET A 51 -8.171 2.583 -0.599 1.00 14.42 H new ATOM 0 HG2 MET A 51 -7.520 3.054 1.732 1.00 45.54 H new ATOM 0 HG3 MET A 51 -7.440 4.507 0.756 1.00 45.54 H new ATOM 0 HE1 MET A 51 -8.573 6.403 3.789 1.00 10.21 H new ATOM 0 HE2 MET A 51 -7.725 4.888 4.178 1.00 10.21 H new ATOM 0 HE3 MET A 51 -7.229 5.847 2.763 1.00 10.21 H new ATOM 850 N MET A 52 -8.271 4.787 -2.516 1.00 20.25 N ATOM 851 CA MET A 52 -7.431 5.738 -3.281 1.00 72.01 C ATOM 852 C MET A 52 -8.287 6.851 -3.951 1.00 20.31 C ATOM 853 O MET A 52 -7.833 7.990 -4.112 1.00 13.42 O ATOM 854 CB MET A 52 -6.612 4.942 -4.335 1.00 73.01 C ATOM 855 CG MET A 52 -5.579 5.760 -5.129 1.00 41.23 C ATOM 856 SD MET A 52 -4.649 4.746 -6.309 1.00 43.02 S ATOM 857 CE MET A 52 -5.940 4.172 -7.424 1.00 73.41 C ATOM 0 H MET A 52 -8.267 3.842 -2.900 1.00 20.25 H new ATOM 0 HA MET A 52 -6.750 6.244 -2.597 1.00 72.01 H new ATOM 0 HB2 MET A 52 -6.093 4.129 -3.827 1.00 73.01 H new ATOM 0 HB3 MET A 52 -7.307 4.485 -5.040 1.00 73.01 H new ATOM 0 HG2 MET A 52 -6.089 6.560 -5.665 1.00 41.23 H new ATOM 0 HG3 MET A 52 -4.884 6.233 -4.435 1.00 41.23 H new ATOM 0 HE1 MET A 52 -5.487 3.787 -8.338 1.00 73.41 H new ATOM 0 HE2 MET A 52 -6.512 3.380 -6.941 1.00 73.41 H new ATOM 0 HE3 MET A 52 -6.604 5.001 -7.670 1.00 73.41 H new ATOM 867 N SER A 53 -9.531 6.493 -4.330 1.00 73.54 N ATOM 868 CA SER A 53 -10.531 7.448 -4.877 1.00 35.43 C ATOM 869 C SER A 53 -11.047 8.398 -3.778 1.00 3.31 C ATOM 870 O SER A 53 -11.222 9.604 -3.997 1.00 54.12 O ATOM 871 CB SER A 53 -11.743 6.678 -5.452 1.00 43.44 C ATOM 872 OG SER A 53 -12.629 7.535 -6.158 1.00 3.43 O ATOM 0 H SER A 53 -9.876 5.535 -4.268 1.00 73.54 H new ATOM 0 HA SER A 53 -10.039 8.026 -5.659 1.00 35.43 H new ATOM 0 HB2 SER A 53 -11.390 5.892 -6.119 1.00 43.44 H new ATOM 0 HB3 SER A 53 -12.281 6.189 -4.640 1.00 43.44 H new ATOM 0 HG SER A 53 -13.381 7.012 -6.507 1.00 3.43 H new ATOM 878 N LYS A 54 -11.283 7.804 -2.597 1.00 64.32 N ATOM 879 CA LYS A 54 -11.935 8.458 -1.454 1.00 30.31 C ATOM 880 C LYS A 54 -11.083 9.632 -0.903 1.00 54.14 C ATOM 881 O LYS A 54 -11.592 10.738 -0.683 1.00 32.35 O ATOM 882 CB LYS A 54 -12.210 7.378 -0.380 1.00 61.45 C ATOM 883 CG LYS A 54 -13.106 7.836 0.774 1.00 0.13 C ATOM 884 CD LYS A 54 -13.346 6.719 1.819 1.00 14.14 C ATOM 885 CE LYS A 54 -13.972 7.252 3.115 1.00 65.22 C ATOM 886 NZ LYS A 54 -13.062 8.191 3.826 1.00 34.25 N ATOM 0 H LYS A 54 -11.020 6.837 -2.408 1.00 64.32 H new ATOM 0 HA LYS A 54 -12.878 8.905 -1.768 1.00 30.31 H new ATOM 0 HB2 LYS A 54 -12.673 6.516 -0.861 1.00 61.45 H new ATOM 0 HB3 LYS A 54 -11.257 7.041 0.029 1.00 61.45 H new ATOM 0 HG2 LYS A 54 -12.650 8.696 1.265 1.00 0.13 H new ATOM 0 HG3 LYS A 54 -14.065 8.168 0.375 1.00 0.13 H new ATOM 0 HD2 LYS A 54 -13.999 5.959 1.390 1.00 14.14 H new ATOM 0 HD3 LYS A 54 -12.398 6.232 2.050 1.00 14.14 H new ATOM 0 HE2 LYS A 54 -14.909 7.759 2.884 1.00 65.22 H new ATOM 0 HE3 LYS A 54 -14.216 6.416 3.771 1.00 65.22 H new ATOM 0 HZ1 LYS A 54 -13.153 8.052 4.853 1.00 34.25 H new ATOM 0 HZ2 LYS A 54 -12.080 8.008 3.538 1.00 34.25 H new ATOM 0 HZ3 LYS A 54 -13.316 9.170 3.585 1.00 34.25 H new ATOM 900 N GLU A 55 -9.789 9.369 -0.670 1.00 4.31 N ATOM 901 CA GLU A 55 -8.781 10.420 -0.410 1.00 15.25 C ATOM 902 C GLU A 55 -7.423 10.016 -1.037 1.00 71.51 C ATOM 903 O GLU A 55 -6.938 8.896 -0.839 1.00 3.23 O ATOM 904 CB GLU A 55 -8.634 10.776 1.108 1.00 32.12 C ATOM 905 CG GLU A 55 -8.600 9.596 2.114 1.00 74.34 C ATOM 906 CD GLU A 55 -9.994 9.056 2.509 1.00 11.21 C ATOM 907 OE1 GLU A 55 -10.895 9.868 2.808 1.00 54.34 O ATOM 908 OE2 GLU A 55 -10.187 7.833 2.588 1.00 1.32 O ATOM 0 H GLU A 55 -9.407 8.423 -0.655 1.00 4.31 H new ATOM 0 HA GLU A 55 -9.136 11.333 -0.887 1.00 15.25 H new ATOM 0 HB2 GLU A 55 -7.717 11.352 1.232 1.00 32.12 H new ATOM 0 HB3 GLU A 55 -9.461 11.430 1.383 1.00 32.12 H new ATOM 0 HG2 GLU A 55 -8.017 8.782 1.682 1.00 74.34 H new ATOM 0 HG3 GLU A 55 -8.079 9.918 3.016 1.00 74.34 H new ATOM 915 N GLN A 56 -6.825 10.957 -1.798 1.00 22.33 N ATOM 916 CA GLN A 56 -5.600 10.719 -2.591 1.00 1.34 C ATOM 917 C GLN A 56 -4.331 10.567 -1.714 1.00 61.32 C ATOM 918 O GLN A 56 -4.250 11.089 -0.596 1.00 11.23 O ATOM 919 CB GLN A 56 -5.381 11.882 -3.607 1.00 71.44 C ATOM 920 CG GLN A 56 -5.084 13.260 -2.963 1.00 71.14 C ATOM 921 CD GLN A 56 -4.694 14.356 -3.960 1.00 11.31 C ATOM 922 OE1 GLN A 56 -5.116 14.358 -5.115 1.00 32.32 O ATOM 923 NE2 GLN A 56 -3.877 15.297 -3.516 1.00 12.42 N ATOM 0 H GLN A 56 -7.181 11.909 -1.880 1.00 22.33 H new ATOM 0 HA GLN A 56 -5.752 9.776 -3.117 1.00 1.34 H new ATOM 0 HB2 GLN A 56 -4.554 11.619 -4.266 1.00 71.44 H new ATOM 0 HB3 GLN A 56 -6.270 11.972 -4.231 1.00 71.44 H new ATOM 0 HG2 GLN A 56 -5.965 13.586 -2.410 1.00 71.14 H new ATOM 0 HG3 GLN A 56 -4.278 13.142 -2.238 1.00 71.14 H new ATOM 0 HE21 GLN A 56 -3.543 15.269 -2.553 1.00 12.42 H new ATOM 0 HE22 GLN A 56 -3.581 16.050 -4.137 1.00 12.42 H new ATOM 932 N PHE A 57 -3.348 9.841 -2.258 1.00 52.10 N ATOM 933 CA PHE A 57 -1.989 9.720 -1.689 1.00 63.34 C ATOM 934 C PHE A 57 -0.975 10.244 -2.732 1.00 62.43 C ATOM 935 O PHE A 57 -1.268 10.240 -3.938 1.00 32.43 O ATOM 936 CB PHE A 57 -1.680 8.236 -1.325 1.00 3.11 C ATOM 937 CG PHE A 57 -2.742 7.570 -0.435 1.00 45.13 C ATOM 938 CD1 PHE A 57 -3.851 6.920 -1.002 1.00 3.43 C ATOM 939 CD2 PHE A 57 -2.647 7.604 0.957 1.00 70.41 C ATOM 940 CE1 PHE A 57 -4.814 6.329 -0.207 1.00 71.43 C ATOM 941 CE2 PHE A 57 -3.616 7.011 1.750 1.00 45.21 C ATOM 942 CZ PHE A 57 -4.698 6.376 1.166 1.00 45.32 C ATOM 0 H PHE A 57 -3.470 9.310 -3.120 1.00 52.10 H new ATOM 0 HA PHE A 57 -1.917 10.308 -0.774 1.00 63.34 H new ATOM 0 HB2 PHE A 57 -1.582 7.661 -2.246 1.00 3.11 H new ATOM 0 HB3 PHE A 57 -0.717 8.191 -0.817 1.00 3.11 H new ATOM 0 HD1 PHE A 57 -3.952 6.882 -2.077 1.00 3.43 H new ATOM 0 HD2 PHE A 57 -1.807 8.099 1.422 1.00 70.41 H new ATOM 0 HE1 PHE A 57 -5.658 5.830 -0.661 1.00 71.43 H new ATOM 0 HE2 PHE A 57 -3.527 7.044 2.826 1.00 45.21 H new ATOM 0 HZ PHE A 57 -5.453 5.916 1.787 1.00 45.32 H new ATOM 952 N ASN A 58 0.212 10.680 -2.278 1.00 73.53 N ATOM 953 CA ASN A 58 1.281 11.165 -3.188 1.00 12.02 C ATOM 954 C ASN A 58 1.883 10.002 -4.014 1.00 24.32 C ATOM 955 O ASN A 58 1.806 8.839 -3.609 1.00 14.21 O ATOM 956 CB ASN A 58 2.387 11.889 -2.384 1.00 61.32 C ATOM 957 CG ASN A 58 1.923 13.230 -1.806 1.00 33.41 C ATOM 958 OD1 ASN A 58 1.305 13.209 -0.642 1.00 54.52 O flip ATOM 959 ND2 ASN A 58 2.101 14.277 -2.417 1.00 64.14 N flip ATOM 0 H ASN A 58 0.462 10.709 -1.290 1.00 73.53 H new ATOM 0 HA ASN A 58 0.834 11.874 -3.885 1.00 12.02 H new ATOM 0 HB2 ASN A 58 2.719 11.244 -1.571 1.00 61.32 H new ATOM 0 HB3 ASN A 58 3.249 12.056 -3.030 1.00 61.32 H new ATOM 0 HD21 ASN A 58 2.582 14.267 -3.316 1.00 64.14 H new ATOM 0 HD22 ASN A 58 1.768 15.158 -2.026 1.00 64.14 H new ATOM 966 N GLU A 59 2.479 10.345 -5.174 1.00 24.55 N ATOM 967 CA GLU A 59 3.062 9.361 -6.119 1.00 3.41 C ATOM 968 C GLU A 59 4.180 8.500 -5.475 1.00 51.42 C ATOM 969 O GLU A 59 4.317 7.323 -5.801 1.00 14.24 O ATOM 970 CB GLU A 59 3.590 10.077 -7.394 1.00 41.02 C ATOM 971 CG GLU A 59 4.681 11.142 -7.136 1.00 24.31 C ATOM 972 CD GLU A 59 5.209 11.791 -8.427 1.00 3.55 C ATOM 973 OE1 GLU A 59 6.129 11.229 -9.054 1.00 74.22 O ATOM 974 OE2 GLU A 59 4.699 12.861 -8.829 1.00 15.34 O ATOM 0 H GLU A 59 2.572 11.312 -5.485 1.00 24.55 H new ATOM 0 HA GLU A 59 2.260 8.678 -6.398 1.00 3.41 H new ATOM 0 HB2 GLU A 59 3.989 9.326 -8.076 1.00 41.02 H new ATOM 0 HB3 GLU A 59 2.750 10.553 -7.900 1.00 41.02 H new ATOM 0 HG2 GLU A 59 4.276 11.918 -6.486 1.00 24.31 H new ATOM 0 HG3 GLU A 59 5.512 10.680 -6.603 1.00 24.31 H new ATOM 981 N ALA A 60 4.953 9.102 -4.546 1.00 61.14 N ATOM 982 CA ALA A 60 6.011 8.400 -3.777 1.00 4.25 C ATOM 983 C ALA A 60 5.423 7.295 -2.866 1.00 1.05 C ATOM 984 O ALA A 60 5.987 6.203 -2.749 1.00 54.42 O ATOM 985 CB ALA A 60 6.806 9.416 -2.942 1.00 21.42 C ATOM 0 H ALA A 60 4.863 10.089 -4.306 1.00 61.14 H new ATOM 0 HA ALA A 60 6.678 7.913 -4.488 1.00 4.25 H new ATOM 0 HB1 ALA A 60 7.582 8.897 -2.379 1.00 21.42 H new ATOM 0 HB2 ALA A 60 7.267 10.149 -3.604 1.00 21.42 H new ATOM 0 HB3 ALA A 60 6.134 9.924 -2.250 1.00 21.42 H new ATOM 991 N GLN A 61 4.279 7.615 -2.245 1.00 24.13 N ATOM 992 CA GLN A 61 3.543 6.708 -1.344 1.00 61.54 C ATOM 993 C GLN A 61 2.912 5.530 -2.130 1.00 13.34 C ATOM 994 O GLN A 61 3.158 4.360 -1.821 1.00 63.24 O ATOM 995 CB GLN A 61 2.446 7.525 -0.609 1.00 24.22 C ATOM 996 CG GLN A 61 2.992 8.676 0.275 1.00 74.21 C ATOM 997 CD GLN A 61 1.909 9.646 0.754 1.00 60.03 C ATOM 998 OE1 GLN A 61 0.745 9.290 0.871 1.00 34.23 O ATOM 999 NE2 GLN A 61 2.285 10.880 1.040 1.00 10.41 N ATOM 0 H GLN A 61 3.830 8.524 -2.354 1.00 24.13 H new ATOM 0 HA GLN A 61 4.235 6.279 -0.619 1.00 61.54 H new ATOM 0 HB2 GLN A 61 1.764 7.943 -1.349 1.00 24.22 H new ATOM 0 HB3 GLN A 61 1.863 6.848 0.015 1.00 24.22 H new ATOM 0 HG2 GLN A 61 3.496 8.249 1.142 1.00 74.21 H new ATOM 0 HG3 GLN A 61 3.742 9.231 -0.288 1.00 74.21 H new ATOM 0 HE21 GLN A 61 3.262 11.153 0.934 1.00 10.41 H new ATOM 0 HE22 GLN A 61 1.598 11.560 1.367 1.00 10.41 H new ATOM 1008 N LEU A 62 2.120 5.876 -3.167 1.00 41.11 N ATOM 1009 CA LEU A 62 1.437 4.898 -4.045 1.00 72.43 C ATOM 1010 C LEU A 62 2.428 4.000 -4.820 1.00 51.11 C ATOM 1011 O LEU A 62 2.080 2.871 -5.152 1.00 22.44 O ATOM 1012 CB LEU A 62 0.483 5.630 -5.031 1.00 12.42 C ATOM 1013 CG LEU A 62 -0.791 6.273 -4.390 1.00 50.33 C ATOM 1014 CD1 LEU A 62 -1.624 7.066 -5.422 1.00 43.13 C ATOM 1015 CD2 LEU A 62 -1.664 5.206 -3.681 1.00 23.51 C ATOM 0 H LEU A 62 1.935 6.846 -3.421 1.00 41.11 H new ATOM 0 HA LEU A 62 0.854 4.242 -3.398 1.00 72.43 H new ATOM 0 HB2 LEU A 62 1.046 6.413 -5.539 1.00 12.42 H new ATOM 0 HB3 LEU A 62 0.164 4.920 -5.794 1.00 12.42 H new ATOM 0 HG LEU A 62 -0.443 6.982 -3.639 1.00 50.33 H new ATOM 0 HD11 LEU A 62 -2.498 7.494 -4.932 1.00 43.13 H new ATOM 0 HD12 LEU A 62 -1.015 7.866 -5.843 1.00 43.13 H new ATOM 0 HD13 LEU A 62 -1.947 6.397 -6.220 1.00 43.13 H new ATOM 0 HD21 LEU A 62 -2.541 5.684 -3.246 1.00 23.51 H new ATOM 0 HD22 LEU A 62 -1.981 4.456 -4.405 1.00 23.51 H new ATOM 0 HD23 LEU A 62 -1.084 4.726 -2.893 1.00 23.51 H new ATOM 1027 N ALA A 63 3.651 4.520 -5.087 1.00 41.44 N ATOM 1028 CA ALA A 63 4.729 3.777 -5.792 1.00 73.43 C ATOM 1029 C ALA A 63 5.032 2.425 -5.110 1.00 71.32 C ATOM 1030 O ALA A 63 4.864 1.366 -5.721 1.00 21.50 O ATOM 1031 CB ALA A 63 6.002 4.642 -5.875 1.00 5.32 C ATOM 0 H ALA A 63 3.920 5.467 -4.820 1.00 41.44 H new ATOM 0 HA ALA A 63 4.381 3.560 -6.802 1.00 73.43 H new ATOM 0 HB1 ALA A 63 6.785 4.088 -6.393 1.00 5.32 H new ATOM 0 HB2 ALA A 63 5.784 5.559 -6.422 1.00 5.32 H new ATOM 0 HB3 ALA A 63 6.339 4.891 -4.869 1.00 5.32 H new ATOM 1037 N LEU A 64 5.430 2.495 -3.826 1.00 75.03 N ATOM 1038 CA LEU A 64 5.683 1.309 -2.979 1.00 4.11 C ATOM 1039 C LEU A 64 4.429 0.407 -2.887 1.00 3.23 C ATOM 1040 O LEU A 64 4.530 -0.811 -3.018 1.00 34.24 O ATOM 1041 CB LEU A 64 6.107 1.759 -1.559 1.00 74.12 C ATOM 1042 CG LEU A 64 6.268 0.625 -0.488 1.00 23.44 C ATOM 1043 CD1 LEU A 64 7.436 -0.331 -0.821 1.00 1.55 C ATOM 1044 CD2 LEU A 64 6.405 1.210 0.930 1.00 32.23 C ATOM 0 H LEU A 64 5.587 3.379 -3.342 1.00 75.03 H new ATOM 0 HA LEU A 64 6.486 0.731 -3.437 1.00 4.11 H new ATOM 0 HB2 LEU A 64 7.055 2.292 -1.638 1.00 74.12 H new ATOM 0 HB3 LEU A 64 5.370 2.473 -1.192 1.00 74.12 H new ATOM 0 HG LEU A 64 5.356 0.029 -0.515 1.00 23.44 H new ATOM 0 HD11 LEU A 64 7.508 -1.099 -0.051 1.00 1.55 H new ATOM 0 HD12 LEU A 64 7.257 -0.802 -1.788 1.00 1.55 H new ATOM 0 HD13 LEU A 64 8.368 0.233 -0.859 1.00 1.55 H new ATOM 0 HD21 LEU A 64 6.515 0.398 1.649 1.00 32.23 H new ATOM 0 HD22 LEU A 64 7.282 1.855 0.974 1.00 32.23 H new ATOM 0 HD23 LEU A 64 5.515 1.791 1.172 1.00 32.23 H new ATOM 1056 N ILE A 65 3.260 1.043 -2.667 1.00 63.41 N ATOM 1057 CA ILE A 65 1.953 0.353 -2.561 1.00 42.24 C ATOM 1058 C ILE A 65 1.636 -0.518 -3.819 1.00 31.20 C ATOM 1059 O ILE A 65 1.049 -1.602 -3.688 1.00 61.32 O ATOM 1060 CB ILE A 65 0.802 1.404 -2.296 1.00 12.31 C ATOM 1061 CG1 ILE A 65 0.995 2.096 -0.896 1.00 44.41 C ATOM 1062 CG2 ILE A 65 -0.601 0.769 -2.415 1.00 3.23 C ATOM 1063 CD1 ILE A 65 -0.028 3.177 -0.550 1.00 71.01 C ATOM 0 H ILE A 65 3.193 2.055 -2.557 1.00 63.41 H new ATOM 0 HA ILE A 65 2.011 -0.331 -1.714 1.00 42.24 H new ATOM 0 HB ILE A 65 0.871 2.168 -3.071 1.00 12.31 H new ATOM 0 HG12 ILE A 65 0.962 1.328 -0.123 1.00 44.41 H new ATOM 0 HG13 ILE A 65 1.991 2.539 -0.863 1.00 44.41 H new ATOM 0 HG21 ILE A 65 -1.361 1.527 -2.225 1.00 3.23 H new ATOM 0 HG22 ILE A 65 -0.734 0.365 -3.419 1.00 3.23 H new ATOM 0 HG23 ILE A 65 -0.700 -0.034 -1.685 1.00 3.23 H new ATOM 0 HD11 ILE A 65 0.196 3.588 0.434 1.00 71.01 H new ATOM 0 HD12 ILE A 65 0.017 3.972 -1.294 1.00 71.01 H new ATOM 0 HD13 ILE A 65 -1.028 2.743 -0.543 1.00 71.01 H new ATOM 1075 N ARG A 66 2.040 -0.055 -5.027 1.00 3.30 N ATOM 1076 CA ARG A 66 1.877 -0.850 -6.269 1.00 63.32 C ATOM 1077 C ARG A 66 2.730 -2.131 -6.194 1.00 45.11 C ATOM 1078 O ARG A 66 2.204 -3.231 -6.371 1.00 73.20 O ATOM 1079 CB ARG A 66 2.262 -0.035 -7.542 1.00 71.14 C ATOM 1080 CG ARG A 66 1.463 1.265 -7.772 1.00 70.13 C ATOM 1081 CD ARG A 66 -0.062 1.055 -7.769 1.00 40.10 C ATOM 1082 NE ARG A 66 -0.780 2.315 -8.025 1.00 61.30 N ATOM 1083 CZ ARG A 66 -1.481 3.006 -7.152 1.00 3.53 C ATOM 1084 NH1 ARG A 66 -1.603 2.623 -5.915 1.00 62.31 N ATOM 1085 NH2 ARG A 66 -2.049 4.098 -7.530 1.00 75.04 N ATOM 0 H ARG A 66 2.477 0.856 -5.167 1.00 3.30 H new ATOM 0 HA ARG A 66 0.822 -1.113 -6.350 1.00 63.32 H new ATOM 0 HB2 ARG A 66 3.321 0.217 -7.483 1.00 71.14 H new ATOM 0 HB3 ARG A 66 2.135 -0.677 -8.414 1.00 71.14 H new ATOM 0 HG2 ARG A 66 1.724 1.985 -6.997 1.00 70.13 H new ATOM 0 HG3 ARG A 66 1.760 1.701 -8.726 1.00 70.13 H new ATOM 0 HD2 ARG A 66 -0.331 0.321 -8.528 1.00 40.10 H new ATOM 0 HD3 ARG A 66 -0.372 0.647 -6.807 1.00 40.10 H new ATOM 0 HE ARG A 66 -0.729 2.689 -8.973 1.00 61.30 H new ATOM 0 HH11 ARG A 66 -1.149 1.766 -5.599 1.00 62.31 H new ATOM 0 HH12 ARG A 66 -2.153 3.180 -5.261 1.00 62.31 H new ATOM 0 HH21 ARG A 66 -1.952 4.416 -8.494 1.00 75.04 H new ATOM 0 HH22 ARG A 66 -2.596 4.645 -6.865 1.00 75.04 H new ATOM 1099 N ASP A 67 4.032 -1.956 -5.862 1.00 30.23 N ATOM 1100 CA ASP A 67 5.015 -3.063 -5.743 1.00 33.21 C ATOM 1101 C ASP A 67 4.600 -4.109 -4.680 1.00 1.41 C ATOM 1102 O ASP A 67 4.781 -5.309 -4.888 1.00 64.53 O ATOM 1103 CB ASP A 67 6.423 -2.496 -5.421 1.00 0.31 C ATOM 1104 CG ASP A 67 6.983 -1.631 -6.562 1.00 41.21 C ATOM 1105 OD1 ASP A 67 7.469 -2.194 -7.565 1.00 44.24 O ATOM 1106 OD2 ASP A 67 6.933 -0.395 -6.477 1.00 61.13 O ATOM 0 H ASP A 67 4.433 -1.038 -5.668 1.00 30.23 H new ATOM 0 HA ASP A 67 5.042 -3.577 -6.704 1.00 33.21 H new ATOM 0 HB2 ASP A 67 6.372 -1.901 -4.509 1.00 0.31 H new ATOM 0 HB3 ASP A 67 7.108 -3.321 -5.225 1.00 0.31 H new ATOM 1111 N ILE A 68 4.028 -3.638 -3.557 1.00 22.13 N ATOM 1112 CA ILE A 68 3.499 -4.512 -2.482 1.00 63.21 C ATOM 1113 C ILE A 68 2.351 -5.413 -3.008 1.00 4.00 C ATOM 1114 O ILE A 68 2.324 -6.609 -2.730 1.00 54.10 O ATOM 1115 CB ILE A 68 2.991 -3.673 -1.249 1.00 25.04 C ATOM 1116 CG1 ILE A 68 4.174 -2.917 -0.549 1.00 63.32 C ATOM 1117 CG2 ILE A 68 2.216 -4.559 -0.241 1.00 32.33 C ATOM 1118 CD1 ILE A 68 3.759 -1.989 0.587 1.00 72.31 C ATOM 0 H ILE A 68 3.917 -2.642 -3.365 1.00 22.13 H new ATOM 0 HA ILE A 68 4.324 -5.144 -2.153 1.00 63.21 H new ATOM 0 HB ILE A 68 2.296 -2.923 -1.627 1.00 25.04 H new ATOM 0 HG12 ILE A 68 4.877 -3.653 -0.159 1.00 63.32 H new ATOM 0 HG13 ILE A 68 4.708 -2.333 -1.299 1.00 63.32 H new ATOM 0 HG21 ILE A 68 1.880 -3.948 0.597 1.00 32.33 H new ATOM 0 HG22 ILE A 68 1.352 -5.003 -0.736 1.00 32.33 H new ATOM 0 HG23 ILE A 68 2.870 -5.350 0.126 1.00 32.33 H new ATOM 0 HD11 ILE A 68 4.644 -1.512 1.009 1.00 72.31 H new ATOM 0 HD12 ILE A 68 3.082 -1.225 0.204 1.00 72.31 H new ATOM 0 HD13 ILE A 68 3.254 -2.566 1.362 1.00 72.31 H new ATOM 1130 N ARG A 69 1.415 -4.808 -3.764 1.00 24.42 N ATOM 1131 CA ARG A 69 0.289 -5.534 -4.397 1.00 2.23 C ATOM 1132 C ARG A 69 0.777 -6.547 -5.472 1.00 35.04 C ATOM 1133 O ARG A 69 0.147 -7.588 -5.673 1.00 14.42 O ATOM 1134 CB ARG A 69 -0.728 -4.512 -4.990 1.00 23.31 C ATOM 1135 CG ARG A 69 -1.545 -3.759 -3.916 1.00 72.01 C ATOM 1136 CD ARG A 69 -2.494 -2.697 -4.494 1.00 14.53 C ATOM 1137 NE ARG A 69 -3.467 -3.286 -5.424 1.00 12.05 N ATOM 1138 CZ ARG A 69 -3.960 -2.694 -6.485 1.00 63.43 C ATOM 1139 NH1 ARG A 69 -3.646 -1.476 -6.795 1.00 74.31 N ATOM 1140 NH2 ARG A 69 -4.777 -3.333 -7.239 1.00 65.15 N ATOM 0 H ARG A 69 1.415 -3.806 -3.955 1.00 24.42 H new ATOM 0 HA ARG A 69 -0.213 -6.123 -3.629 1.00 2.23 H new ATOM 0 HB2 ARG A 69 -0.188 -3.787 -5.599 1.00 23.31 H new ATOM 0 HB3 ARG A 69 -1.414 -5.038 -5.654 1.00 23.31 H new ATOM 0 HG2 ARG A 69 -2.127 -4.481 -3.343 1.00 72.01 H new ATOM 0 HG3 ARG A 69 -0.858 -3.279 -3.220 1.00 72.01 H new ATOM 0 HD2 ARG A 69 -3.023 -2.200 -3.681 1.00 14.53 H new ATOM 0 HD3 ARG A 69 -1.913 -1.933 -5.011 1.00 14.53 H new ATOM 0 HE ARG A 69 -3.786 -4.235 -5.228 1.00 12.05 H new ATOM 0 HH11 ARG A 69 -2.999 -0.951 -6.207 1.00 74.31 H new ATOM 0 HH12 ARG A 69 -4.046 -1.042 -7.627 1.00 74.31 H new ATOM 0 HH21 ARG A 69 -5.038 -4.292 -7.011 1.00 65.15 H new ATOM 0 HH22 ARG A 69 -5.166 -2.882 -8.067 1.00 65.15 H new ATOM 1154 N ARG A 70 1.916 -6.242 -6.130 1.00 53.31 N ATOM 1155 CA ARG A 70 2.567 -7.175 -7.086 1.00 13.32 C ATOM 1156 C ARG A 70 3.068 -8.439 -6.344 1.00 43.04 C ATOM 1157 O ARG A 70 2.830 -9.564 -6.786 1.00 63.33 O ATOM 1158 CB ARG A 70 3.769 -6.498 -7.803 1.00 22.34 C ATOM 1159 CG ARG A 70 3.458 -5.159 -8.494 1.00 13.14 C ATOM 1160 CD ARG A 70 2.498 -5.264 -9.692 1.00 50.45 C ATOM 1161 NE ARG A 70 2.161 -3.931 -10.233 1.00 31.12 N ATOM 1162 CZ ARG A 70 3.001 -3.099 -10.834 1.00 62.44 C ATOM 1163 NH1 ARG A 70 4.245 -3.410 -11.050 1.00 73.13 N ATOM 1164 NH2 ARG A 70 2.575 -1.943 -11.224 1.00 10.34 N ATOM 0 H ARG A 70 2.408 -5.355 -6.019 1.00 53.31 H new ATOM 0 HA ARG A 70 1.824 -7.454 -7.833 1.00 13.32 H new ATOM 0 HB2 ARG A 70 4.561 -6.335 -7.072 1.00 22.34 H new ATOM 0 HB3 ARG A 70 4.161 -7.189 -8.549 1.00 22.34 H new ATOM 0 HG2 ARG A 70 3.029 -4.477 -7.760 1.00 13.14 H new ATOM 0 HG3 ARG A 70 4.394 -4.714 -8.833 1.00 13.14 H new ATOM 0 HD2 ARG A 70 2.955 -5.870 -10.474 1.00 50.45 H new ATOM 0 HD3 ARG A 70 1.585 -5.775 -9.385 1.00 50.45 H new ATOM 0 HE ARG A 70 1.194 -3.622 -10.135 1.00 31.12 H new ATOM 0 HH11 ARG A 70 4.602 -4.318 -10.754 1.00 73.13 H new ATOM 0 HH12 ARG A 70 4.863 -2.746 -11.515 1.00 73.13 H new ATOM 0 HH21 ARG A 70 1.602 -1.679 -11.068 1.00 10.34 H new ATOM 0 HH22 ARG A 70 3.212 -1.295 -11.687 1.00 10.34 H new ATOM 1178 N ARG A 71 3.769 -8.223 -5.205 1.00 43.54 N ATOM 1179 CA ARG A 71 4.335 -9.327 -4.385 1.00 43.31 C ATOM 1180 C ARG A 71 3.226 -10.044 -3.576 1.00 53.25 C ATOM 1181 O ARG A 71 3.371 -11.212 -3.194 1.00 61.25 O ATOM 1182 CB ARG A 71 5.445 -8.811 -3.418 1.00 44.44 C ATOM 1183 CG ARG A 71 6.499 -7.852 -4.035 1.00 72.54 C ATOM 1184 CD ARG A 71 7.052 -8.297 -5.406 1.00 53.22 C ATOM 1185 NE ARG A 71 7.631 -9.651 -5.395 1.00 62.50 N ATOM 1186 CZ ARG A 71 8.434 -10.143 -6.312 1.00 42.42 C ATOM 1187 NH1 ARG A 71 8.895 -9.419 -7.283 1.00 33.52 N ATOM 1188 NH2 ARG A 71 8.789 -11.378 -6.241 1.00 25.21 N ATOM 0 H ARG A 71 3.958 -7.293 -4.831 1.00 43.54 H new ATOM 0 HA ARG A 71 4.785 -10.040 -5.076 1.00 43.31 H new ATOM 0 HB2 ARG A 71 4.963 -8.300 -2.584 1.00 44.44 H new ATOM 0 HB3 ARG A 71 5.967 -9.674 -3.004 1.00 44.44 H new ATOM 0 HG2 ARG A 71 6.052 -6.864 -4.142 1.00 72.54 H new ATOM 0 HG3 ARG A 71 7.331 -7.752 -3.338 1.00 72.54 H new ATOM 0 HD2 ARG A 71 6.249 -8.260 -6.142 1.00 53.22 H new ATOM 0 HD3 ARG A 71 7.814 -7.587 -5.729 1.00 53.22 H new ATOM 0 HE ARG A 71 7.389 -10.257 -4.611 1.00 62.50 H new ATOM 0 HH11 ARG A 71 8.636 -8.435 -7.353 1.00 33.52 H new ATOM 0 HH12 ARG A 71 9.516 -9.833 -7.978 1.00 33.52 H new ATOM 0 HH21 ARG A 71 8.448 -11.964 -5.479 1.00 25.21 H new ATOM 0 HH22 ARG A 71 9.412 -11.771 -6.947 1.00 25.21 H new ATOM 1202 N GLY A 72 2.132 -9.308 -3.315 1.00 32.24 N ATOM 1203 CA GLY A 72 0.963 -9.819 -2.596 1.00 33.11 C ATOM 1204 C GLY A 72 -0.073 -10.438 -3.527 1.00 10.32 C ATOM 1205 O GLY A 72 0.183 -10.614 -4.726 1.00 2.52 O ATOM 0 H GLY A 72 2.038 -8.334 -3.602 1.00 32.24 H new ATOM 0 HA2 GLY A 72 1.285 -10.565 -1.870 1.00 33.11 H new ATOM 0 HA3 GLY A 72 0.502 -9.006 -2.035 1.00 33.11 H new ATOM 1209 N LYS A 73 -1.259 -10.755 -2.989 1.00 10.23 N ATOM 1210 CA LYS A 73 -2.310 -11.468 -3.752 1.00 40.21 C ATOM 1211 C LYS A 73 -3.309 -10.498 -4.453 1.00 22.14 C ATOM 1212 O LYS A 73 -4.528 -10.554 -4.239 1.00 11.23 O ATOM 1213 CB LYS A 73 -3.031 -12.495 -2.830 1.00 42.23 C ATOM 1214 CG LYS A 73 -3.689 -11.908 -1.555 1.00 35.34 C ATOM 1215 CD LYS A 73 -4.492 -12.974 -0.774 1.00 1.12 C ATOM 1216 CE LYS A 73 -5.310 -12.386 0.381 1.00 20.41 C ATOM 1217 NZ LYS A 73 -6.133 -13.429 1.053 1.00 63.33 N ATOM 0 H LYS A 73 -1.521 -10.532 -2.029 1.00 10.23 H new ATOM 0 HA LYS A 73 -1.825 -12.014 -4.561 1.00 40.21 H new ATOM 0 HB2 LYS A 73 -3.800 -13.002 -3.413 1.00 42.23 H new ATOM 0 HB3 LYS A 73 -2.309 -13.253 -2.528 1.00 42.23 H new ATOM 0 HG2 LYS A 73 -2.917 -11.490 -0.909 1.00 35.34 H new ATOM 0 HG3 LYS A 73 -4.351 -11.088 -1.833 1.00 35.34 H new ATOM 0 HD2 LYS A 73 -5.163 -13.489 -1.461 1.00 1.12 H new ATOM 0 HD3 LYS A 73 -3.804 -13.722 -0.380 1.00 1.12 H new ATOM 0 HE2 LYS A 73 -4.639 -11.927 1.107 1.00 20.41 H new ATOM 0 HE3 LYS A 73 -5.959 -11.596 0.003 1.00 20.41 H new ATOM 0 HZ1 LYS A 73 -6.674 -12.998 1.829 1.00 63.33 H new ATOM 0 HZ2 LYS A 73 -6.790 -13.849 0.365 1.00 63.33 H new ATOM 0 HZ3 LYS A 73 -5.511 -14.170 1.434 1.00 63.33 H new ATOM 1231 N ASN A 74 -2.778 -9.610 -5.319 1.00 31.32 N ATOM 1232 CA ASN A 74 -3.604 -8.759 -6.212 1.00 20.21 C ATOM 1233 C ASN A 74 -4.011 -9.569 -7.475 1.00 60.41 C ATOM 1234 O ASN A 74 -3.494 -9.361 -8.584 1.00 54.50 O ATOM 1235 CB ASN A 74 -2.837 -7.454 -6.570 1.00 41.23 C ATOM 1236 CG ASN A 74 -3.622 -6.463 -7.446 1.00 1.55 C ATOM 1237 OD1 ASN A 74 -4.832 -6.325 -7.337 1.00 41.24 O ATOM 1238 ND2 ASN A 74 -2.928 -5.750 -8.317 1.00 61.01 N ATOM 0 H ASN A 74 -1.774 -9.460 -5.422 1.00 31.32 H new ATOM 0 HA ASN A 74 -4.519 -8.462 -5.700 1.00 20.21 H new ATOM 0 HB2 ASN A 74 -2.551 -6.952 -5.646 1.00 41.23 H new ATOM 0 HB3 ASN A 74 -1.915 -7.721 -7.086 1.00 41.23 H new ATOM 0 HD21 ASN A 74 -3.402 -5.071 -8.913 1.00 61.01 H new ATOM 0 HD22 ASN A 74 -1.919 -5.879 -8.393 1.00 61.01 H new ATOM 1245 N LYS A 75 -4.900 -10.556 -7.266 1.00 41.43 N ATOM 1246 CA LYS A 75 -5.461 -11.386 -8.351 1.00 63.20 C ATOM 1247 C LYS A 75 -6.632 -10.627 -9.012 1.00 32.41 C ATOM 1248 O LYS A 75 -7.733 -10.566 -8.456 1.00 63.25 O ATOM 1249 CB LYS A 75 -5.905 -12.792 -7.818 1.00 54.44 C ATOM 1250 CG LYS A 75 -4.776 -13.858 -7.743 1.00 35.21 C ATOM 1251 CD LYS A 75 -3.565 -13.425 -6.883 1.00 54.01 C ATOM 1252 CE LYS A 75 -2.399 -14.423 -6.950 1.00 5.44 C ATOM 1253 NZ LYS A 75 -2.765 -15.762 -6.425 1.00 53.11 N ATOM 0 H LYS A 75 -5.251 -10.802 -6.340 1.00 41.43 H new ATOM 0 HA LYS A 75 -4.692 -11.568 -9.102 1.00 63.20 H new ATOM 0 HB2 LYS A 75 -6.332 -12.667 -6.823 1.00 54.44 H new ATOM 0 HB3 LYS A 75 -6.700 -13.172 -8.460 1.00 54.44 H new ATOM 0 HG2 LYS A 75 -5.187 -14.781 -7.336 1.00 35.21 H new ATOM 0 HG3 LYS A 75 -4.432 -14.081 -8.753 1.00 35.21 H new ATOM 0 HD2 LYS A 75 -3.219 -12.447 -7.217 1.00 54.01 H new ATOM 0 HD3 LYS A 75 -3.883 -13.314 -5.846 1.00 54.01 H new ATOM 0 HE2 LYS A 75 -2.067 -14.520 -7.984 1.00 5.44 H new ATOM 0 HE3 LYS A 75 -1.556 -14.031 -6.380 1.00 5.44 H new ATOM 0 HZ1 LYS A 75 -1.945 -16.398 -6.493 1.00 53.11 H new ATOM 0 HZ2 LYS A 75 -3.056 -15.677 -5.430 1.00 53.11 H new ATOM 0 HZ3 LYS A 75 -3.551 -16.151 -6.984 1.00 53.11 H new ATOM 1267 N VAL A 76 -6.353 -10.029 -10.182 1.00 24.21 N ATOM 1268 CA VAL A 76 -7.315 -9.193 -10.931 1.00 43.04 C ATOM 1269 C VAL A 76 -8.512 -10.030 -11.457 1.00 61.32 C ATOM 1270 O VAL A 76 -9.668 -9.617 -11.305 1.00 53.11 O ATOM 1271 CB VAL A 76 -6.599 -8.469 -12.142 1.00 31.11 C ATOM 1272 CG1 VAL A 76 -7.542 -7.463 -12.854 1.00 73.10 C ATOM 1273 CG2 VAL A 76 -5.288 -7.778 -11.684 1.00 60.15 C ATOM 0 H VAL A 76 -5.446 -10.111 -10.641 1.00 24.21 H new ATOM 0 HA VAL A 76 -7.700 -8.444 -10.239 1.00 43.04 H new ATOM 0 HB VAL A 76 -6.339 -9.238 -12.870 1.00 31.11 H new ATOM 0 HG11 VAL A 76 -7.011 -6.988 -13.679 1.00 73.10 H new ATOM 0 HG12 VAL A 76 -8.414 -7.992 -13.240 1.00 73.10 H new ATOM 0 HG13 VAL A 76 -7.865 -6.702 -12.144 1.00 73.10 H new ATOM 0 HG21 VAL A 76 -4.817 -7.289 -12.537 1.00 60.15 H new ATOM 0 HG22 VAL A 76 -5.516 -7.035 -10.920 1.00 60.15 H new ATOM 0 HG23 VAL A 76 -4.608 -8.524 -11.273 1.00 60.15 H new ATOM 1283 N ALA A 77 -8.201 -11.214 -12.046 1.00 31.14 N ATOM 1284 CA ALA A 77 -9.175 -12.097 -12.750 1.00 62.25 C ATOM 1285 C ALA A 77 -9.754 -11.402 -14.015 1.00 45.21 C ATOM 1286 O ALA A 77 -10.552 -10.463 -13.900 1.00 2.52 O ATOM 1287 CB ALA A 77 -10.289 -12.601 -11.805 1.00 22.14 C ATOM 0 H ALA A 77 -7.253 -11.590 -12.046 1.00 31.14 H new ATOM 0 HA ALA A 77 -8.630 -12.980 -13.085 1.00 62.25 H new ATOM 0 HB1 ALA A 77 -10.975 -13.240 -12.360 1.00 22.14 H new ATOM 0 HB2 ALA A 77 -9.844 -13.169 -10.988 1.00 22.14 H new ATOM 0 HB3 ALA A 77 -10.835 -11.749 -11.399 1.00 22.14 H new ATOM 1293 N ALA A 78 -9.322 -11.887 -15.206 1.00 32.45 N ATOM 1294 CA ALA A 78 -9.605 -11.278 -16.543 1.00 23.50 C ATOM 1295 C ALA A 78 -8.783 -9.980 -16.791 1.00 24.22 C ATOM 1296 O ALA A 78 -8.454 -9.240 -15.856 1.00 23.13 O ATOM 1297 CB ALA A 78 -11.113 -11.048 -16.793 1.00 72.03 C ATOM 0 H ALA A 78 -8.754 -12.731 -15.272 1.00 32.45 H new ATOM 0 HA ALA A 78 -9.275 -12.015 -17.275 1.00 23.50 H new ATOM 0 HB1 ALA A 78 -11.255 -10.604 -17.778 1.00 72.03 H new ATOM 0 HB2 ALA A 78 -11.639 -12.001 -16.745 1.00 72.03 H new ATOM 0 HB3 ALA A 78 -11.510 -10.376 -16.032 1.00 72.03 H new ATOM 1303 N GLN A 79 -8.455 -9.718 -18.068 1.00 73.32 N ATOM 1304 CA GLN A 79 -7.581 -8.584 -18.476 1.00 12.33 C ATOM 1305 C GLN A 79 -8.272 -7.678 -19.527 1.00 4.31 C ATOM 1306 O GLN A 79 -8.942 -8.172 -20.446 1.00 73.30 O ATOM 1307 CB GLN A 79 -6.235 -9.129 -19.037 1.00 21.33 C ATOM 1308 CG GLN A 79 -6.386 -10.140 -20.197 1.00 74.21 C ATOM 1309 CD GLN A 79 -5.054 -10.562 -20.814 1.00 23.52 C ATOM 1310 OE1 GLN A 79 -4.571 -9.938 -21.753 1.00 33.42 O ATOM 1311 NE2 GLN A 79 -4.450 -11.619 -20.299 1.00 74.15 N ATOM 0 H GLN A 79 -8.784 -10.281 -18.852 1.00 73.32 H new ATOM 0 HA GLN A 79 -7.387 -7.975 -17.593 1.00 12.33 H new ATOM 0 HB2 GLN A 79 -5.632 -8.288 -19.381 1.00 21.33 H new ATOM 0 HB3 GLN A 79 -5.684 -9.605 -18.226 1.00 21.33 H new ATOM 0 HG2 GLN A 79 -6.905 -11.026 -19.831 1.00 74.21 H new ATOM 0 HG3 GLN A 79 -7.014 -9.700 -20.972 1.00 74.21 H new ATOM 0 HE21 GLN A 79 -4.875 -12.119 -19.518 1.00 74.15 H new ATOM 0 HE22 GLN A 79 -3.559 -11.935 -20.683 1.00 74.15 H new ATOM 1320 N ASN A 80 -8.109 -6.351 -19.372 1.00 73.25 N ATOM 1321 CA ASN A 80 -8.626 -5.335 -20.323 1.00 4.14 C ATOM 1322 C ASN A 80 -7.540 -4.260 -20.589 1.00 35.33 C ATOM 1323 O ASN A 80 -7.234 -3.443 -19.706 1.00 24.12 O ATOM 1324 CB ASN A 80 -9.924 -4.667 -19.771 1.00 75.31 C ATOM 1325 CG ASN A 80 -11.097 -5.650 -19.622 1.00 3.14 C ATOM 1326 OD1 ASN A 80 -11.271 -6.276 -18.585 1.00 30.14 O ATOM 1327 ND2 ASN A 80 -11.897 -5.803 -20.662 1.00 42.20 N ATOM 0 H ASN A 80 -7.612 -5.945 -18.579 1.00 73.25 H new ATOM 0 HA ASN A 80 -8.873 -5.833 -21.261 1.00 4.14 H new ATOM 0 HB2 ASN A 80 -9.709 -4.218 -18.801 1.00 75.31 H new ATOM 0 HB3 ASN A 80 -10.220 -3.857 -20.438 1.00 75.31 H new ATOM 0 HD21 ASN A 80 -12.680 -6.454 -20.611 1.00 42.20 H new ATOM 0 HD22 ASN A 80 -11.731 -5.270 -21.516 1.00 42.20 H new ATOM 1334 N CYS A 81 -6.940 -4.287 -21.802 1.00 60.13 N ATOM 1335 CA CYS A 81 -5.933 -3.289 -22.242 1.00 3.01 C ATOM 1336 C CYS A 81 -6.094 -2.956 -23.755 1.00 12.13 C ATOM 1337 O CYS A 81 -5.390 -3.510 -24.608 1.00 32.24 O ATOM 1338 CB CYS A 81 -4.493 -3.788 -21.929 1.00 52.04 C ATOM 1339 SG CYS A 81 -4.144 -4.042 -20.166 1.00 44.12 S ATOM 0 H CYS A 81 -7.139 -5.000 -22.504 1.00 60.13 H new ATOM 0 HA CYS A 81 -6.103 -2.369 -21.683 1.00 3.01 H new ATOM 0 HB2 CYS A 81 -4.326 -4.727 -22.457 1.00 52.04 H new ATOM 0 HB3 CYS A 81 -3.779 -3.067 -22.326 1.00 52.04 H new ATOM 0 HG CYS A 81 -5.222 -3.820 -19.474 1.00 44.12 H new ATOM 1345 N ARG A 82 -7.070 -2.072 -24.066 1.00 71.51 N ATOM 1346 CA ARG A 82 -7.312 -1.570 -25.443 1.00 74.10 C ATOM 1347 C ARG A 82 -7.996 -0.173 -25.458 1.00 71.12 C ATOM 1348 O ARG A 82 -8.233 0.378 -26.541 1.00 75.14 O ATOM 1349 CB ARG A 82 -8.158 -2.581 -26.272 1.00 65.52 C ATOM 1350 CG ARG A 82 -9.580 -2.842 -25.721 1.00 22.12 C ATOM 1351 CD ARG A 82 -10.445 -3.655 -26.704 1.00 43.31 C ATOM 1352 NE ARG A 82 -10.647 -2.919 -27.972 1.00 34.12 N ATOM 1353 CZ ARG A 82 -10.598 -3.431 -29.187 1.00 74.12 C ATOM 1354 NH1 ARG A 82 -10.324 -4.682 -29.393 1.00 31.42 N ATOM 1355 NH2 ARG A 82 -10.806 -2.662 -30.203 1.00 14.14 N ATOM 0 H ARG A 82 -7.712 -1.686 -23.373 1.00 71.51 H new ATOM 0 HA ARG A 82 -6.330 -1.463 -25.904 1.00 74.10 H new ATOM 0 HB2 ARG A 82 -8.242 -2.211 -27.294 1.00 65.52 H new ATOM 0 HB3 ARG A 82 -7.622 -3.529 -26.319 1.00 65.52 H new ATOM 0 HG2 ARG A 82 -9.508 -3.377 -24.774 1.00 22.12 H new ATOM 0 HG3 ARG A 82 -10.068 -1.890 -25.513 1.00 22.12 H new ATOM 0 HD2 ARG A 82 -9.966 -4.613 -26.908 1.00 43.31 H new ATOM 0 HD3 ARG A 82 -11.411 -3.873 -26.249 1.00 43.31 H new ATOM 0 HE ARG A 82 -10.843 -1.921 -27.900 1.00 34.12 H new ATOM 0 HH11 ARG A 82 -10.139 -5.300 -28.603 1.00 31.42 H new ATOM 0 HH12 ARG A 82 -10.294 -5.047 -30.345 1.00 31.42 H new ATOM 0 HH21 ARG A 82 -11.005 -1.672 -30.061 1.00 14.14 H new ATOM 0 HH22 ARG A 82 -10.771 -3.045 -31.148 1.00 14.14 H new ATOM 1369 N LYS A 83 -8.320 0.392 -24.269 1.00 22.10 N ATOM 1370 CA LYS A 83 -8.932 1.746 -24.160 1.00 64.05 C ATOM 1371 C LYS A 83 -7.876 2.861 -24.417 1.00 42.21 C ATOM 1372 O LYS A 83 -7.351 3.484 -23.487 1.00 63.40 O ATOM 1373 CB LYS A 83 -9.627 1.929 -22.777 1.00 31.32 C ATOM 1374 CG LYS A 83 -10.845 1.000 -22.542 1.00 30.35 C ATOM 1375 CD LYS A 83 -11.391 1.088 -21.096 1.00 40.11 C ATOM 1376 CE LYS A 83 -12.541 0.101 -20.822 1.00 33.33 C ATOM 1377 NZ LYS A 83 -13.753 0.392 -21.636 1.00 64.05 N ATOM 0 H LYS A 83 -8.169 -0.066 -23.370 1.00 22.10 H new ATOM 0 HA LYS A 83 -9.697 1.836 -24.932 1.00 64.05 H new ATOM 0 HB2 LYS A 83 -8.894 1.752 -21.990 1.00 31.32 H new ATOM 0 HB3 LYS A 83 -9.953 2.965 -22.682 1.00 31.32 H new ATOM 0 HG2 LYS A 83 -11.638 1.263 -23.242 1.00 30.35 H new ATOM 0 HG3 LYS A 83 -10.559 -0.030 -22.756 1.00 30.35 H new ATOM 0 HD2 LYS A 83 -10.579 0.894 -20.395 1.00 40.11 H new ATOM 0 HD3 LYS A 83 -11.739 2.103 -20.907 1.00 40.11 H new ATOM 0 HE2 LYS A 83 -12.202 -0.913 -21.032 1.00 33.33 H new ATOM 0 HE3 LYS A 83 -12.801 0.137 -19.764 1.00 33.33 H new ATOM 0 HZ1 LYS A 83 -14.496 -0.301 -21.413 1.00 64.05 H new ATOM 0 HZ2 LYS A 83 -14.096 1.349 -21.418 1.00 64.05 H new ATOM 0 HZ3 LYS A 83 -13.515 0.331 -22.647 1.00 64.05 H new ATOM 1391 N ARG A 84 -7.547 3.062 -25.706 1.00 35.43 N ATOM 1392 CA ARG A 84 -6.614 4.111 -26.165 1.00 70.14 C ATOM 1393 C ARG A 84 -7.426 5.294 -26.743 1.00 75.44 C ATOM 1394 O ARG A 84 -7.916 5.230 -27.877 1.00 24.14 O ATOM 1395 CB ARG A 84 -5.645 3.509 -27.221 1.00 14.02 C ATOM 1396 CG ARG A 84 -4.513 4.455 -27.681 1.00 25.51 C ATOM 1397 CD ARG A 84 -3.572 3.802 -28.713 1.00 21.52 C ATOM 1398 NE ARG A 84 -2.916 2.584 -28.199 1.00 24.01 N ATOM 1399 CZ ARG A 84 -1.868 1.991 -28.743 1.00 71.43 C ATOM 1400 NH1 ARG A 84 -1.284 2.479 -29.795 1.00 42.14 N ATOM 1401 NH2 ARG A 84 -1.403 0.908 -28.212 1.00 42.41 N ATOM 0 H ARG A 84 -7.924 2.496 -26.466 1.00 35.43 H new ATOM 0 HA ARG A 84 -6.016 4.484 -25.333 1.00 70.14 H new ATOM 0 HB2 ARG A 84 -5.198 2.605 -26.808 1.00 14.02 H new ATOM 0 HB3 ARG A 84 -6.224 3.208 -28.094 1.00 14.02 H new ATOM 0 HG2 ARG A 84 -4.951 5.355 -28.113 1.00 25.51 H new ATOM 0 HG3 ARG A 84 -3.932 4.768 -26.813 1.00 25.51 H new ATOM 0 HD2 ARG A 84 -4.140 3.552 -29.609 1.00 21.52 H new ATOM 0 HD3 ARG A 84 -2.809 4.522 -29.009 1.00 21.52 H new ATOM 0 HE ARG A 84 -3.304 2.165 -27.354 1.00 24.01 H new ATOM 0 HH11 ARG A 84 -1.633 3.338 -30.220 1.00 42.14 H new ATOM 0 HH12 ARG A 84 -0.476 2.003 -30.197 1.00 42.14 H new ATOM 0 HH21 ARG A 84 -1.845 0.518 -27.380 1.00 42.41 H new ATOM 0 HH22 ARG A 84 -0.594 0.444 -28.625 1.00 42.41 H new ATOM 1415 N LYS A 85 -7.595 6.356 -25.938 1.00 63.13 N ATOM 1416 CA LYS A 85 -8.497 7.488 -26.266 1.00 3.12 C ATOM 1417 C LYS A 85 -8.045 8.800 -25.587 1.00 42.45 C ATOM 1418 O LYS A 85 -7.122 8.809 -24.763 1.00 13.54 O ATOM 1419 CB LYS A 85 -9.957 7.132 -25.847 1.00 43.33 C ATOM 1420 CG LYS A 85 -10.118 6.727 -24.359 1.00 4.44 C ATOM 1421 CD LYS A 85 -11.582 6.386 -23.987 1.00 22.54 C ATOM 1422 CE LYS A 85 -11.720 5.816 -22.561 1.00 73.05 C ATOM 1423 NZ LYS A 85 -11.260 6.769 -21.517 1.00 61.43 N ATOM 0 H LYS A 85 -7.115 6.460 -25.044 1.00 63.13 H new ATOM 0 HA LYS A 85 -8.456 7.652 -27.343 1.00 3.12 H new ATOM 0 HB2 LYS A 85 -10.599 7.990 -26.048 1.00 43.33 H new ATOM 0 HB3 LYS A 85 -10.312 6.314 -26.474 1.00 43.33 H new ATOM 0 HG2 LYS A 85 -9.484 5.865 -24.151 1.00 4.44 H new ATOM 0 HG3 LYS A 85 -9.767 7.541 -23.725 1.00 4.44 H new ATOM 0 HD2 LYS A 85 -12.193 7.284 -24.075 1.00 22.54 H new ATOM 0 HD3 LYS A 85 -11.974 5.663 -24.702 1.00 22.54 H new ATOM 0 HE2 LYS A 85 -12.763 5.557 -22.377 1.00 73.05 H new ATOM 0 HE3 LYS A 85 -11.144 4.894 -22.485 1.00 73.05 H new ATOM 0 HZ1 LYS A 85 -10.436 6.371 -21.023 1.00 61.43 H new ATOM 0 HZ2 LYS A 85 -10.995 7.671 -21.963 1.00 61.43 H new ATOM 0 HZ3 LYS A 85 -12.027 6.933 -20.834 1.00 61.43 H new ATOM 1437 N LEU A 86 -8.715 9.907 -25.957 1.00 3.55 N ATOM 1438 CA LEU A 86 -8.502 11.231 -25.336 1.00 54.23 C ATOM 1439 C LEU A 86 -9.220 11.275 -23.962 1.00 64.43 C ATOM 1440 O LEU A 86 -10.436 11.505 -23.888 1.00 3.11 O ATOM 1441 CB LEU A 86 -9.007 12.385 -26.267 1.00 13.33 C ATOM 1442 CG LEU A 86 -8.175 12.677 -27.570 1.00 11.32 C ATOM 1443 CD1 LEU A 86 -8.208 11.499 -28.574 1.00 5.42 C ATOM 1444 CD2 LEU A 86 -8.654 13.986 -28.242 1.00 55.14 C ATOM 0 H LEU A 86 -9.420 9.911 -26.695 1.00 3.55 H new ATOM 0 HA LEU A 86 -7.433 11.381 -25.188 1.00 54.23 H new ATOM 0 HB2 LEU A 86 -10.030 12.155 -26.564 1.00 13.33 H new ATOM 0 HB3 LEU A 86 -9.044 13.302 -25.678 1.00 13.33 H new ATOM 0 HG LEU A 86 -7.136 12.799 -27.262 1.00 11.32 H new ATOM 0 HD11 LEU A 86 -7.618 11.754 -29.454 1.00 5.42 H new ATOM 0 HD12 LEU A 86 -7.791 10.608 -28.104 1.00 5.42 H new ATOM 0 HD13 LEU A 86 -9.238 11.304 -28.872 1.00 5.42 H new ATOM 0 HD21 LEU A 86 -8.066 14.170 -29.141 1.00 55.14 H new ATOM 0 HD22 LEU A 86 -9.707 13.894 -28.509 1.00 55.14 H new ATOM 0 HD23 LEU A 86 -8.527 14.818 -27.549 1.00 55.14 H new ATOM 1456 N GLU A 87 -8.462 10.991 -22.894 1.00 30.42 N ATOM 1457 CA GLU A 87 -8.990 10.923 -21.514 1.00 1.23 C ATOM 1458 C GLU A 87 -8.454 12.102 -20.669 1.00 70.53 C ATOM 1459 O GLU A 87 -7.351 12.600 -20.914 1.00 53.42 O ATOM 1460 CB GLU A 87 -8.605 9.557 -20.879 1.00 43.15 C ATOM 1461 CG GLU A 87 -9.273 9.263 -19.514 1.00 44.44 C ATOM 1462 CD GLU A 87 -8.878 7.896 -18.931 1.00 63.10 C ATOM 1463 OE1 GLU A 87 -9.225 6.865 -19.545 1.00 51.50 O ATOM 1464 OE2 GLU A 87 -8.210 7.843 -17.874 1.00 52.53 O ATOM 0 H GLU A 87 -7.462 10.801 -22.957 1.00 30.42 H new ATOM 0 HA GLU A 87 -10.077 11.003 -21.539 1.00 1.23 H new ATOM 0 HB2 GLU A 87 -8.869 8.761 -21.576 1.00 43.15 H new ATOM 0 HB3 GLU A 87 -7.523 9.523 -20.753 1.00 43.15 H new ATOM 0 HG2 GLU A 87 -9.000 10.046 -18.806 1.00 44.44 H new ATOM 0 HG3 GLU A 87 -10.356 9.302 -19.630 1.00 44.44 H new ATOM 1471 N ASN A 88 -9.245 12.530 -19.670 1.00 43.31 N ATOM 1472 CA ASN A 88 -8.901 13.672 -18.783 1.00 2.21 C ATOM 1473 C ASN A 88 -7.849 13.297 -17.695 1.00 73.42 C ATOM 1474 O ASN A 88 -7.537 12.118 -17.501 1.00 53.31 O ATOM 1475 CB ASN A 88 -10.202 14.233 -18.139 1.00 21.44 C ATOM 1476 CG ASN A 88 -11.090 13.171 -17.456 1.00 31.21 C ATOM 1477 OD1 ASN A 88 -10.622 12.165 -16.936 1.00 53.12 O ATOM 1478 ND2 ASN A 88 -12.383 13.396 -17.446 1.00 22.14 N ATOM 0 H ASN A 88 -10.142 12.099 -19.449 1.00 43.31 H new ATOM 0 HA ASN A 88 -8.434 14.443 -19.395 1.00 2.21 H new ATOM 0 HB2 ASN A 88 -9.930 14.989 -17.402 1.00 21.44 H new ATOM 0 HB3 ASN A 88 -10.786 14.735 -18.910 1.00 21.44 H new ATOM 0 HD21 ASN A 88 -13.013 12.729 -17.001 1.00 22.14 H new ATOM 0 HD22 ASN A 88 -12.758 14.238 -17.883 1.00 22.14 H new ATOM 1485 N ILE A 89 -7.330 14.322 -16.985 1.00 0.24 N ATOM 1486 CA ILE A 89 -6.337 14.147 -15.895 1.00 41.04 C ATOM 1487 C ILE A 89 -6.461 15.298 -14.862 1.00 34.13 C ATOM 1488 O ILE A 89 -6.727 16.450 -15.232 1.00 72.20 O ATOM 1489 CB ILE A 89 -4.860 14.074 -16.464 1.00 34.33 C ATOM 1490 CG1 ILE A 89 -3.809 13.859 -15.313 1.00 1.41 C ATOM 1491 CG2 ILE A 89 -4.527 15.326 -17.324 1.00 0.01 C ATOM 1492 CD1 ILE A 89 -2.365 13.731 -15.773 1.00 55.43 C ATOM 0 H ILE A 89 -7.586 15.296 -17.149 1.00 0.24 H new ATOM 0 HA ILE A 89 -6.550 13.201 -15.398 1.00 41.04 H new ATOM 0 HB ILE A 89 -4.799 13.204 -17.118 1.00 34.33 H new ATOM 0 HG12 ILE A 89 -3.880 14.695 -14.617 1.00 1.41 H new ATOM 0 HG13 ILE A 89 -4.079 12.960 -14.759 1.00 1.41 H new ATOM 0 HG21 ILE A 89 -3.507 15.248 -17.701 1.00 0.01 H new ATOM 0 HG22 ILE A 89 -5.220 15.386 -18.163 1.00 0.01 H new ATOM 0 HG23 ILE A 89 -4.620 16.223 -16.712 1.00 0.01 H new ATOM 0 HD11 ILE A 89 -1.719 13.586 -14.907 1.00 55.43 H new ATOM 0 HD12 ILE A 89 -2.271 12.877 -16.443 1.00 55.43 H new ATOM 0 HD13 ILE A 89 -2.069 14.639 -16.299 1.00 55.43 H new ATOM 1504 N VAL A 90 -6.296 14.971 -13.565 1.00 31.42 N ATOM 1505 CA VAL A 90 -6.314 15.967 -12.460 1.00 70.11 C ATOM 1506 C VAL A 90 -4.854 16.365 -12.018 1.00 33.42 C ATOM 1507 O VAL A 90 -4.166 15.583 -11.334 1.00 38.26 O ATOM 1508 CB VAL A 90 -7.218 15.461 -11.246 1.00 12.30 C ATOM 1509 CG1 VAL A 90 -8.716 15.476 -11.646 1.00 54.30 C ATOM 1510 CG2 VAL A 90 -6.821 14.044 -10.736 1.00 64.21 C ATOM 1511 OXT VAL A 90 -4.387 17.468 -12.389 1.00 38.26 O ATOM 0 H VAL A 90 -6.146 14.013 -13.248 1.00 31.42 H new ATOM 0 HA VAL A 90 -6.777 16.881 -12.832 1.00 70.11 H new ATOM 0 HB VAL A 90 -7.046 16.155 -10.423 1.00 12.30 H new ATOM 0 HG11 VAL A 90 -9.320 15.128 -10.808 1.00 54.30 H new ATOM 0 HG12 VAL A 90 -9.012 16.491 -11.910 1.00 54.30 H new ATOM 0 HG13 VAL A 90 -8.871 14.819 -12.502 1.00 54.30 H new ATOM 0 HG21 VAL A 90 -7.473 13.758 -9.911 1.00 64.21 H new ATOM 0 HG22 VAL A 90 -6.925 13.323 -11.547 1.00 64.21 H new ATOM 0 HG23 VAL A 90 -5.786 14.057 -10.393 1.00 64.21 H new TER 1521 VAL A 90