USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.101 (180deg=0) 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= -0.0822 X(o=-0.082,f=-0.018) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.85) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.025 X(o=-0.025,f=-0.0073) USER MOD Single : A 11 MET CE :methyl 158:sc= -0.162 (180deg=-0.736) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 37:sc= 0.0953 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.7!) USER MOD Single : A 29 MET CE :methyl -139:sc= -0.821 (180deg=-2.36) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0435) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.062) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 41:sc= 0.146 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0.966 (180deg=0.889) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.74 K(o=-0.74,f=-1.5) USER MOD Single : A 62 GLN : amide:sc= 0.684 K(o=0.68,f=-0.0011) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.0449 (180deg=-0.283) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.264 -14.533 -21.852 1.00 42.04 N ATOM 2 CA MET A 1 46.565 -15.096 -22.273 1.00 73.15 C ATOM 3 C MET A 1 47.709 -14.314 -21.639 1.00 3.54 C ATOM 4 O MET A 1 47.504 -13.222 -21.106 1.00 52.42 O ATOM 5 CB MET A 1 46.702 -15.069 -23.800 1.00 34.45 C ATOM 6 CG MET A 1 46.811 -13.671 -24.390 1.00 24.34 C ATOM 7 SD MET A 1 47.031 -13.689 -26.180 1.00 5.42 S ATOM 8 CE MET A 1 47.229 -11.941 -26.516 1.00 14.34 C ATOM 0 H1 MET A 1 44.757 -15.229 -21.268 1.00 42.04 H new ATOM 0 H2 MET A 1 45.423 -13.667 -21.299 1.00 42.04 H new ATOM 0 H3 MET A 1 44.695 -14.307 -22.693 1.00 42.04 H new ATOM 0 HA MET A 1 46.610 -16.132 -21.938 1.00 73.15 H new ATOM 0 HB2 MET A 1 47.585 -15.642 -24.085 1.00 34.45 H new ATOM 0 HB3 MET A 1 45.840 -15.571 -24.240 1.00 34.45 H new ATOM 0 HG2 MET A 1 45.912 -13.106 -24.144 1.00 24.34 H new ATOM 0 HG3 MET A 1 47.651 -13.151 -23.930 1.00 24.34 H new ATOM 0 HE1 MET A 1 47.375 -11.790 -27.586 1.00 14.34 H new ATOM 0 HE2 MET A 1 46.337 -11.405 -26.192 1.00 14.34 H new ATOM 0 HE3 MET A 1 48.096 -11.562 -25.975 1.00 14.34 H new ATOM 20 N GLY A 2 48.904 -14.888 -21.687 1.00 55.23 N ATOM 21 CA GLY A 2 50.082 -14.211 -21.181 1.00 21.43 C ATOM 22 C GLY A 2 50.374 -14.564 -19.737 1.00 63.04 C ATOM 23 O GLY A 2 51.200 -13.918 -19.092 1.00 23.30 O ATOM 0 H GLY A 2 49.079 -15.817 -22.070 1.00 55.23 H new ATOM 0 HA2 GLY A 2 50.942 -14.473 -21.798 1.00 21.43 H new ATOM 0 HA3 GLY A 2 49.944 -13.133 -21.268 1.00 21.43 H new ATOM 27 N HIS A 3 49.679 -15.588 -19.235 1.00 54.14 N ATOM 28 CA HIS A 3 49.848 -16.055 -17.856 1.00 60.22 C ATOM 29 C HIS A 3 49.375 -15.000 -16.862 1.00 13.02 C ATOM 30 O HIS A 3 49.787 -14.990 -15.700 1.00 12.34 O ATOM 31 CB HIS A 3 51.307 -16.436 -17.575 1.00 53.42 C ATOM 32 CG HIS A 3 51.722 -17.726 -18.201 1.00 52.11 C ATOM 33 ND1 HIS A 3 52.285 -17.813 -19.455 1.00 30.31 N ATOM 34 CD2 HIS A 3 51.654 -18.993 -17.734 1.00 53.53 C ATOM 35 CE1 HIS A 3 52.542 -19.078 -19.732 1.00 34.31 C ATOM 36 NE2 HIS A 3 52.170 -19.811 -18.704 1.00 33.43 N ATOM 0 H HIS A 3 48.987 -16.114 -19.769 1.00 54.14 H new ATOM 0 HA HIS A 3 49.233 -16.946 -17.732 1.00 60.22 H new ATOM 0 HB2 HIS A 3 51.957 -15.640 -17.938 1.00 53.42 H new ATOM 0 HB3 HIS A 3 51.455 -16.501 -16.497 1.00 53.42 H new ATOM 0 HD2 HIS A 3 51.265 -19.302 -16.775 1.00 53.53 H new ATOM 0 HE1 HIS A 3 52.982 -19.448 -20.646 1.00 34.31 H new ATOM 0 HE2 HIS A 3 52.253 -20.826 -18.640 1.00 33.43 H new ATOM 45 N HIS A 4 48.487 -14.131 -17.328 1.00 24.44 N ATOM 46 CA HIS A 4 47.927 -13.076 -16.496 1.00 53.32 C ATOM 47 C HIS A 4 46.826 -13.652 -15.616 1.00 1.33 C ATOM 48 O HIS A 4 45.889 -14.282 -16.112 1.00 33.14 O ATOM 49 CB HIS A 4 47.368 -11.953 -17.377 1.00 71.42 C ATOM 50 CG HIS A 4 47.121 -10.661 -16.653 1.00 23.50 C ATOM 51 ND1 HIS A 4 47.985 -9.590 -16.725 1.00 54.51 N ATOM 52 CD2 HIS A 4 46.095 -10.259 -15.865 1.00 40.13 C ATOM 53 CE1 HIS A 4 47.504 -8.586 -16.015 1.00 55.04 C ATOM 54 NE2 HIS A 4 46.357 -8.965 -15.483 1.00 4.33 N ATOM 0 H HIS A 4 48.137 -14.138 -18.286 1.00 24.44 H new ATOM 0 HA HIS A 4 48.711 -12.663 -15.862 1.00 53.32 H new ATOM 0 HB2 HIS A 4 48.064 -11.769 -18.196 1.00 71.42 H new ATOM 0 HB3 HIS A 4 46.432 -12.290 -17.824 1.00 71.42 H new ATOM 0 HD2 HIS A 4 45.232 -10.846 -15.588 1.00 40.13 H new ATOM 0 HE1 HIS A 4 47.970 -7.620 -15.891 1.00 55.04 H new ATOM 0 HE2 HIS A 4 45.762 -8.391 -14.886 1.00 4.33 H new ATOM 63 N HIS A 5 46.936 -13.434 -14.317 1.00 45.35 N ATOM 64 CA HIS A 5 45.991 -14.003 -13.370 1.00 55.31 C ATOM 65 C HIS A 5 44.865 -13.023 -13.075 1.00 43.03 C ATOM 66 O HIS A 5 45.074 -11.810 -13.047 1.00 52.44 O ATOM 67 CB HIS A 5 46.699 -14.395 -12.069 1.00 2.14 C ATOM 68 CG HIS A 5 47.818 -15.374 -12.263 1.00 44.13 C ATOM 69 ND1 HIS A 5 47.613 -16.698 -12.585 1.00 2.35 N ATOM 70 CD2 HIS A 5 49.161 -15.215 -12.186 1.00 31.55 C ATOM 71 CE1 HIS A 5 48.777 -17.308 -12.695 1.00 62.52 C ATOM 72 NE2 HIS A 5 49.732 -16.432 -12.460 1.00 34.42 N ATOM 0 H HIS A 5 47.670 -12.867 -13.893 1.00 45.35 H new ATOM 0 HA HIS A 5 45.563 -14.899 -13.820 1.00 55.31 H new ATOM 0 HB2 HIS A 5 47.093 -13.496 -11.595 1.00 2.14 H new ATOM 0 HB3 HIS A 5 45.968 -14.823 -11.383 1.00 2.14 H new ATOM 0 HD2 HIS A 5 49.685 -14.300 -11.952 1.00 31.55 H new ATOM 0 HE1 HIS A 5 48.923 -18.350 -12.937 1.00 62.52 H new ATOM 0 HE2 HIS A 5 50.733 -16.627 -12.479 1.00 34.42 H new ATOM 81 N HIS A 6 43.676 -13.563 -12.868 1.00 54.10 N ATOM 82 CA HIS A 6 42.494 -12.754 -12.593 1.00 23.21 C ATOM 83 C HIS A 6 42.447 -12.336 -11.123 1.00 51.40 C ATOM 84 O HIS A 6 43.346 -12.656 -10.345 1.00 41.33 O ATOM 85 CB HIS A 6 41.218 -13.530 -12.952 1.00 32.41 C ATOM 86 CG HIS A 6 40.864 -14.613 -11.972 1.00 63.33 C ATOM 87 ND1 HIS A 6 39.664 -14.649 -11.298 1.00 53.22 N ATOM 88 CD2 HIS A 6 41.559 -15.693 -11.552 1.00 23.34 C ATOM 89 CE1 HIS A 6 39.638 -15.700 -10.504 1.00 62.34 C ATOM 90 NE2 HIS A 6 40.776 -16.350 -10.641 1.00 20.41 N ATOM 0 H HIS A 6 43.500 -14.568 -12.885 1.00 54.10 H new ATOM 0 HA HIS A 6 42.552 -11.856 -13.208 1.00 23.21 H new ATOM 0 HB2 HIS A 6 40.386 -12.829 -13.019 1.00 32.41 H new ATOM 0 HB3 HIS A 6 41.341 -13.974 -13.940 1.00 32.41 H new ATOM 0 HD2 HIS A 6 42.548 -15.984 -11.875 1.00 23.34 H new ATOM 0 HE1 HIS A 6 38.824 -15.981 -9.853 1.00 62.34 H new ATOM 0 HE2 HIS A 6 41.032 -17.205 -10.148 1.00 20.41 H new ATOM 99 N HIS A 7 41.390 -11.627 -10.753 1.00 11.14 N ATOM 100 CA HIS A 7 41.150 -11.270 -9.360 1.00 20.24 C ATOM 101 C HIS A 7 39.893 -11.977 -8.880 1.00 11.43 C ATOM 102 O HIS A 7 38.892 -11.999 -9.592 1.00 71.30 O ATOM 103 CB HIS A 7 40.963 -9.756 -9.191 1.00 23.45 C ATOM 104 CG HIS A 7 42.133 -8.931 -9.631 1.00 63.24 C ATOM 105 ND1 HIS A 7 43.017 -8.345 -8.752 1.00 2.33 N ATOM 106 CD2 HIS A 7 42.546 -8.573 -10.867 1.00 32.41 C ATOM 107 CE1 HIS A 7 43.921 -7.665 -9.429 1.00 52.43 C ATOM 108 NE2 HIS A 7 43.660 -7.786 -10.714 1.00 24.41 N ATOM 0 H HIS A 7 40.681 -11.285 -11.402 1.00 11.14 H new ATOM 0 HA HIS A 7 42.017 -11.576 -8.774 1.00 20.24 H new ATOM 0 HB2 HIS A 7 40.084 -9.446 -9.756 1.00 23.45 H new ATOM 0 HB3 HIS A 7 40.759 -9.543 -8.142 1.00 23.45 H new ATOM 0 HD2 HIS A 7 42.085 -8.854 -11.802 1.00 32.41 H new ATOM 0 HE1 HIS A 7 44.738 -7.103 -9.002 1.00 52.43 H new ATOM 0 HE2 HIS A 7 44.197 -7.364 -11.471 1.00 24.41 H new ATOM 117 N HIS A 8 39.931 -12.570 -7.696 1.00 23.21 N ATOM 118 CA HIS A 8 38.729 -13.190 -7.148 1.00 22.22 C ATOM 119 C HIS A 8 37.832 -12.115 -6.533 1.00 24.54 C ATOM 120 O HIS A 8 37.761 -11.939 -5.317 1.00 2.13 O ATOM 121 CB HIS A 8 39.054 -14.325 -6.151 1.00 41.23 C ATOM 122 CG HIS A 8 39.825 -13.928 -4.923 1.00 75.21 C ATOM 123 ND1 HIS A 8 39.231 -13.760 -3.692 1.00 31.22 N ATOM 124 CD2 HIS A 8 41.145 -13.706 -4.732 1.00 42.32 C ATOM 125 CE1 HIS A 8 40.152 -13.452 -2.799 1.00 33.43 C ATOM 126 NE2 HIS A 8 41.325 -13.413 -3.402 1.00 55.21 N ATOM 0 H HIS A 8 40.760 -12.636 -7.106 1.00 23.21 H new ATOM 0 HA HIS A 8 38.186 -13.667 -7.964 1.00 22.22 H new ATOM 0 HB2 HIS A 8 38.116 -14.782 -5.834 1.00 41.23 H new ATOM 0 HB3 HIS A 8 39.621 -15.093 -6.678 1.00 41.23 H new ATOM 0 HD2 HIS A 8 41.916 -13.751 -5.487 1.00 42.32 H new ATOM 0 HE1 HIS A 8 39.975 -13.263 -1.750 1.00 33.43 H new ATOM 0 HE2 HIS A 8 42.217 -13.201 -2.955 1.00 55.21 H new ATOM 135 N SER A 9 37.178 -11.371 -7.406 1.00 2.53 N ATOM 136 CA SER A 9 36.390 -10.223 -7.002 1.00 65.14 C ATOM 137 C SER A 9 34.993 -10.629 -6.535 1.00 64.53 C ATOM 138 O SER A 9 34.630 -10.423 -5.374 1.00 51.12 O ATOM 139 CB SER A 9 36.288 -9.240 -8.170 1.00 15.11 C ATOM 140 OG SER A 9 37.571 -8.927 -8.693 1.00 24.22 O ATOM 0 H SER A 9 37.178 -11.545 -8.411 1.00 2.53 H new ATOM 0 HA SER A 9 36.891 -9.748 -6.159 1.00 65.14 H new ATOM 0 HB2 SER A 9 35.667 -9.669 -8.956 1.00 15.11 H new ATOM 0 HB3 SER A 9 35.795 -8.326 -7.838 1.00 15.11 H new ATOM 0 HG SER A 9 37.476 -8.299 -9.439 1.00 24.22 H new ATOM 146 N HIS A 10 34.217 -11.223 -7.429 1.00 24.03 N ATOM 147 CA HIS A 10 32.818 -11.495 -7.141 1.00 4.32 C ATOM 148 C HIS A 10 32.492 -12.974 -7.300 1.00 43.10 C ATOM 149 O HIS A 10 33.105 -13.676 -8.106 1.00 13.44 O ATOM 150 CB HIS A 10 31.899 -10.642 -8.035 1.00 71.25 C ATOM 151 CG HIS A 10 31.958 -10.973 -9.499 1.00 54.23 C ATOM 152 ND1 HIS A 10 30.875 -11.455 -10.200 1.00 23.13 N ATOM 153 CD2 HIS A 10 32.968 -10.870 -10.394 1.00 22.21 C ATOM 154 CE1 HIS A 10 31.217 -11.632 -11.464 1.00 75.22 C ATOM 155 NE2 HIS A 10 32.482 -11.284 -11.605 1.00 4.12 N ATOM 0 H HIS A 10 34.529 -11.524 -8.352 1.00 24.03 H new ATOM 0 HA HIS A 10 32.640 -11.224 -6.100 1.00 4.32 H new ATOM 0 HB2 HIS A 10 30.871 -10.760 -7.692 1.00 71.25 H new ATOM 0 HB3 HIS A 10 32.161 -9.592 -7.904 1.00 71.25 H new ATOM 0 HD2 HIS A 10 33.971 -10.525 -10.191 1.00 22.21 H new ATOM 0 HE1 HIS A 10 30.571 -11.999 -12.248 1.00 75.22 H new ATOM 0 HE2 HIS A 10 33.012 -11.318 -12.476 1.00 4.12 H new ATOM 164 N MET A 11 31.521 -13.429 -6.527 1.00 60.20 N ATOM 165 CA MET A 11 31.059 -14.807 -6.590 1.00 1.03 C ATOM 166 C MET A 11 29.540 -14.826 -6.690 1.00 73.24 C ATOM 167 O MET A 11 28.850 -14.176 -5.902 1.00 14.13 O ATOM 168 CB MET A 11 31.522 -15.587 -5.357 1.00 65.01 C ATOM 169 CG MET A 11 31.148 -17.061 -5.385 1.00 71.00 C ATOM 170 SD MET A 11 31.688 -17.943 -3.909 1.00 14.11 S ATOM 171 CE MET A 11 30.758 -17.083 -2.642 1.00 44.22 C ATOM 0 H MET A 11 31.031 -12.856 -5.840 1.00 60.20 H new ATOM 0 HA MET A 11 31.484 -15.286 -7.472 1.00 1.03 H new ATOM 0 HB2 MET A 11 32.605 -15.498 -5.268 1.00 65.01 H new ATOM 0 HB3 MET A 11 31.091 -15.130 -4.467 1.00 65.01 H new ATOM 0 HG2 MET A 11 30.067 -17.156 -5.485 1.00 71.00 H new ATOM 0 HG3 MET A 11 31.591 -17.528 -6.265 1.00 71.00 H new ATOM 0 HE1 MET A 11 30.665 -17.721 -1.763 1.00 44.22 H new ATOM 0 HE2 MET A 11 31.277 -16.164 -2.370 1.00 44.22 H new ATOM 0 HE3 MET A 11 29.765 -16.841 -3.021 1.00 44.22 H new ATOM 181 N SER A 12 29.027 -15.550 -7.668 1.00 54.33 N ATOM 182 CA SER A 12 27.600 -15.575 -7.932 1.00 21.33 C ATOM 183 C SER A 12 26.885 -16.516 -6.970 1.00 70.24 C ATOM 184 O SER A 12 27.301 -17.661 -6.776 1.00 51.41 O ATOM 185 CB SER A 12 27.337 -16.000 -9.380 1.00 34.41 C ATOM 186 OG SER A 12 25.966 -15.854 -9.721 1.00 33.21 O ATOM 0 H SER A 12 29.581 -16.132 -8.296 1.00 54.33 H new ATOM 0 HA SER A 12 27.208 -14.569 -7.781 1.00 21.33 H new ATOM 0 HB2 SER A 12 27.947 -15.399 -10.054 1.00 34.41 H new ATOM 0 HB3 SER A 12 27.639 -17.038 -9.517 1.00 34.41 H new ATOM 0 HG SER A 12 25.829 -16.131 -10.651 1.00 33.21 H new ATOM 192 N THR A 13 25.824 -16.020 -6.361 1.00 33.42 N ATOM 193 CA THR A 13 24.999 -16.825 -5.480 1.00 34.33 C ATOM 194 C THR A 13 23.573 -16.901 -6.016 1.00 62.20 C ATOM 195 O THR A 13 23.075 -15.938 -6.609 1.00 12.40 O ATOM 196 CB THR A 13 24.991 -16.251 -4.050 1.00 33.21 C ATOM 197 OG1 THR A 13 24.856 -14.822 -4.093 1.00 54.15 O ATOM 198 CG2 THR A 13 26.264 -16.624 -3.308 1.00 15.11 C ATOM 0 H THR A 13 25.511 -15.054 -6.462 1.00 33.42 H new ATOM 0 HA THR A 13 25.424 -17.828 -5.445 1.00 34.33 H new ATOM 0 HB THR A 13 24.142 -16.679 -3.517 1.00 33.21 H new ATOM 0 HG1 THR A 13 24.850 -14.466 -3.180 1.00 54.15 H new ATOM 0 HG21 THR A 13 26.234 -16.207 -2.301 1.00 15.11 H new ATOM 0 HG22 THR A 13 26.346 -17.709 -3.249 1.00 15.11 H new ATOM 0 HG23 THR A 13 27.126 -16.224 -3.841 1.00 15.11 H new ATOM 206 N PRO A 14 22.903 -18.055 -5.846 1.00 14.22 N ATOM 207 CA PRO A 14 21.525 -18.241 -6.305 1.00 64.35 C ATOM 208 C PRO A 14 20.562 -17.257 -5.646 1.00 3.25 C ATOM 209 O PRO A 14 20.416 -17.235 -4.420 1.00 63.12 O ATOM 210 CB PRO A 14 21.187 -19.680 -5.894 1.00 30.25 C ATOM 211 CG PRO A 14 22.194 -20.034 -4.853 1.00 1.03 C ATOM 212 CD PRO A 14 23.436 -19.266 -5.202 1.00 12.33 C ATOM 0 HA PRO A 14 21.430 -18.065 -7.377 1.00 64.35 H new ATOM 0 HB2 PRO A 14 20.173 -19.750 -5.501 1.00 30.25 H new ATOM 0 HB3 PRO A 14 21.246 -20.357 -6.746 1.00 30.25 H new ATOM 0 HG2 PRO A 14 21.837 -19.768 -3.858 1.00 1.03 H new ATOM 0 HG3 PRO A 14 22.387 -21.107 -4.846 1.00 1.03 H new ATOM 0 HD2 PRO A 14 24.025 -19.027 -4.317 1.00 12.33 H new ATOM 0 HD3 PRO A 14 24.084 -19.829 -5.874 1.00 12.33 H new ATOM 220 N LEU A 15 19.924 -16.433 -6.463 1.00 24.20 N ATOM 221 CA LEU A 15 18.969 -15.453 -5.970 1.00 61.53 C ATOM 222 C LEU A 15 17.583 -16.084 -5.905 1.00 54.10 C ATOM 223 O LEU A 15 17.093 -16.622 -6.897 1.00 52.51 O ATOM 224 CB LEU A 15 18.966 -14.209 -6.880 1.00 42.42 C ATOM 225 CG LEU A 15 18.210 -12.984 -6.348 1.00 43.14 C ATOM 226 CD1 LEU A 15 18.715 -11.725 -7.031 1.00 12.05 C ATOM 227 CD2 LEU A 15 16.710 -13.117 -6.570 1.00 53.12 C ATOM 0 H LEU A 15 20.051 -16.424 -7.475 1.00 24.20 H new ATOM 0 HA LEU A 15 19.257 -15.136 -4.968 1.00 61.53 H new ATOM 0 HB2 LEU A 15 20.000 -13.919 -7.068 1.00 42.42 H new ATOM 0 HB3 LEU A 15 18.534 -14.488 -7.841 1.00 42.42 H new ATOM 0 HG LEU A 15 18.393 -12.920 -5.275 1.00 43.14 H new ATOM 0 HD11 LEU A 15 18.173 -10.861 -6.647 1.00 12.05 H new ATOM 0 HD12 LEU A 15 19.780 -11.604 -6.830 1.00 12.05 H new ATOM 0 HD13 LEU A 15 18.555 -11.805 -8.106 1.00 12.05 H new ATOM 0 HD21 LEU A 15 16.205 -12.233 -6.182 1.00 53.12 H new ATOM 0 HD22 LEU A 15 16.507 -13.212 -7.637 1.00 53.12 H new ATOM 0 HD23 LEU A 15 16.342 -14.002 -6.051 1.00 53.12 H new ATOM 239 N THR A 16 16.966 -16.033 -4.735 1.00 53.42 N ATOM 240 CA THR A 16 15.639 -16.594 -4.551 1.00 23.34 C ATOM 241 C THR A 16 14.695 -15.564 -3.931 1.00 72.43 C ATOM 242 O THR A 16 14.887 -15.128 -2.792 1.00 61.45 O ATOM 243 CB THR A 16 15.680 -17.863 -3.671 1.00 64.13 C ATOM 244 OG1 THR A 16 16.479 -17.631 -2.502 1.00 75.11 O ATOM 245 CG2 THR A 16 16.237 -19.048 -4.447 1.00 11.22 C ATOM 0 H THR A 16 17.365 -15.608 -3.898 1.00 53.42 H new ATOM 0 HA THR A 16 15.264 -16.871 -5.536 1.00 23.34 H new ATOM 0 HB THR A 16 14.659 -18.096 -3.369 1.00 64.13 H new ATOM 0 HG1 THR A 16 16.341 -16.713 -2.189 1.00 75.11 H new ATOM 0 HG21 THR A 16 16.255 -19.928 -3.804 1.00 11.22 H new ATOM 0 HG22 THR A 16 15.606 -19.245 -5.314 1.00 11.22 H new ATOM 0 HG23 THR A 16 17.250 -18.821 -4.780 1.00 11.22 H new ATOM 253 N GLY A 17 13.687 -15.164 -4.691 1.00 74.43 N ATOM 254 CA GLY A 17 12.735 -14.188 -4.206 1.00 12.20 C ATOM 255 C GLY A 17 12.006 -13.500 -5.338 1.00 52.53 C ATOM 256 O GLY A 17 12.571 -13.289 -6.412 1.00 41.32 O ATOM 0 H GLY A 17 13.511 -15.499 -5.638 1.00 74.43 H new ATOM 0 HA2 GLY A 17 12.012 -14.679 -3.554 1.00 12.20 H new ATOM 0 HA3 GLY A 17 13.254 -13.443 -3.603 1.00 12.20 H new ATOM 260 N LYS A 18 10.750 -13.160 -5.107 1.00 51.31 N ATOM 261 CA LYS A 18 9.943 -12.477 -6.104 1.00 4.41 C ATOM 262 C LYS A 18 8.995 -11.512 -5.402 1.00 32.14 C ATOM 263 O LYS A 18 8.790 -11.629 -4.192 1.00 14.34 O ATOM 264 CB LYS A 18 9.153 -13.481 -6.968 1.00 63.42 C ATOM 265 CG LYS A 18 7.993 -14.183 -6.261 1.00 15.55 C ATOM 266 CD LYS A 18 8.462 -15.218 -5.247 1.00 52.13 C ATOM 267 CE LYS A 18 9.273 -16.324 -5.905 1.00 10.03 C ATOM 268 NZ LYS A 18 9.725 -17.336 -4.916 1.00 2.35 N ATOM 0 H LYS A 18 10.263 -13.348 -4.230 1.00 51.31 H new ATOM 0 HA LYS A 18 10.602 -11.922 -6.772 1.00 4.41 H new ATOM 0 HB2 LYS A 18 8.761 -12.956 -7.839 1.00 63.42 H new ATOM 0 HB3 LYS A 18 9.844 -14.239 -7.337 1.00 63.42 H new ATOM 0 HG2 LYS A 18 7.377 -13.439 -5.756 1.00 15.55 H new ATOM 0 HG3 LYS A 18 7.361 -14.669 -7.004 1.00 15.55 H new ATOM 0 HD2 LYS A 18 9.066 -14.730 -4.482 1.00 52.13 H new ATOM 0 HD3 LYS A 18 7.598 -15.651 -4.743 1.00 52.13 H new ATOM 0 HE2 LYS A 18 8.671 -16.809 -6.673 1.00 10.03 H new ATOM 0 HE3 LYS A 18 10.140 -15.892 -6.405 1.00 10.03 H new ATOM 0 HZ1 LYS A 18 10.274 -18.074 -5.401 1.00 2.35 H new ATOM 0 HZ2 LYS A 18 10.320 -16.877 -4.197 1.00 2.35 H new ATOM 0 HZ3 LYS A 18 8.897 -17.766 -4.457 1.00 2.35 H new ATOM 282 N PRO A 19 8.424 -10.536 -6.131 1.00 4.24 N ATOM 283 CA PRO A 19 7.491 -9.553 -5.561 1.00 11.22 C ATOM 284 C PRO A 19 6.202 -10.185 -5.029 1.00 71.22 C ATOM 285 O PRO A 19 5.172 -10.199 -5.702 1.00 10.33 O ATOM 286 CB PRO A 19 7.179 -8.615 -6.732 1.00 12.31 C ATOM 287 CG PRO A 19 8.268 -8.850 -7.719 1.00 72.13 C ATOM 288 CD PRO A 19 8.657 -10.290 -7.564 1.00 42.13 C ATOM 0 HA PRO A 19 7.931 -9.050 -4.700 1.00 11.22 H new ATOM 0 HB2 PRO A 19 6.202 -8.834 -7.163 1.00 12.31 H new ATOM 0 HB3 PRO A 19 7.158 -7.574 -6.409 1.00 12.31 H new ATOM 0 HG2 PRO A 19 7.927 -8.644 -8.734 1.00 72.13 H new ATOM 0 HG3 PRO A 19 9.117 -8.193 -7.529 1.00 72.13 H new ATOM 0 HD2 PRO A 19 8.050 -10.943 -8.191 1.00 42.13 H new ATOM 0 HD3 PRO A 19 9.698 -10.460 -7.840 1.00 42.13 H new ATOM 296 N GLY A 20 6.288 -10.738 -3.830 1.00 4.32 N ATOM 297 CA GLY A 20 5.119 -11.260 -3.148 1.00 2.24 C ATOM 298 C GLY A 20 5.085 -10.808 -1.705 1.00 5.01 C ATOM 299 O GLY A 20 4.251 -11.251 -0.919 1.00 13.14 O ATOM 0 H GLY A 20 7.159 -10.836 -3.309 1.00 4.32 H new ATOM 0 HA2 GLY A 20 4.216 -10.925 -3.659 1.00 2.24 H new ATOM 0 HA3 GLY A 20 5.125 -12.349 -3.191 1.00 2.24 H new ATOM 303 N ALA A 21 6.000 -9.914 -1.363 1.00 2.34 N ATOM 304 CA ALA A 21 6.106 -9.398 -0.009 1.00 53.42 C ATOM 305 C ALA A 21 6.003 -7.881 -0.016 1.00 14.33 C ATOM 306 O ALA A 21 5.629 -7.282 -1.032 1.00 30.32 O ATOM 307 CB ALA A 21 7.417 -9.842 0.618 1.00 15.32 C ATOM 0 H ALA A 21 6.686 -9.528 -2.012 1.00 2.34 H new ATOM 0 HA ALA A 21 5.285 -9.796 0.587 1.00 53.42 H new ATOM 0 HB1 ALA A 21 7.486 -9.450 1.633 1.00 15.32 H new ATOM 0 HB2 ALA A 21 7.456 -10.931 0.646 1.00 15.32 H new ATOM 0 HB3 ALA A 21 8.250 -9.464 0.025 1.00 15.32 H new ATOM 313 N LEU A 22 6.317 -7.264 1.112 1.00 51.50 N ATOM 314 CA LEU A 22 6.298 -5.815 1.211 1.00 23.45 C ATOM 315 C LEU A 22 7.641 -5.300 1.695 1.00 41.14 C ATOM 316 O LEU A 22 8.270 -5.909 2.562 1.00 62.51 O ATOM 317 CB LEU A 22 5.202 -5.345 2.167 1.00 21.45 C ATOM 318 CG LEU A 22 3.771 -5.626 1.717 1.00 62.14 C ATOM 319 CD1 LEU A 22 2.797 -5.187 2.793 1.00 61.12 C ATOM 320 CD2 LEU A 22 3.472 -4.921 0.402 1.00 21.14 C ATOM 0 H LEU A 22 6.588 -7.744 1.970 1.00 51.50 H new ATOM 0 HA LEU A 22 6.093 -5.417 0.217 1.00 23.45 H new ATOM 0 HB2 LEU A 22 5.360 -5.821 3.135 1.00 21.45 H new ATOM 0 HB3 LEU A 22 5.312 -4.271 2.318 1.00 21.45 H new ATOM 0 HG LEU A 22 3.658 -6.698 1.556 1.00 62.14 H new ATOM 0 HD11 LEU A 22 1.777 -5.390 2.466 1.00 61.12 H new ATOM 0 HD12 LEU A 22 2.999 -5.736 3.713 1.00 61.12 H new ATOM 0 HD13 LEU A 22 2.913 -4.119 2.975 1.00 61.12 H new ATOM 0 HD21 LEU A 22 2.447 -5.135 0.099 1.00 21.14 H new ATOM 0 HD22 LEU A 22 3.596 -3.846 0.529 1.00 21.14 H new ATOM 0 HD23 LEU A 22 4.159 -5.277 -0.366 1.00 21.14 H new ATOM 332 N PRO A 23 8.112 -4.185 1.127 1.00 30.13 N ATOM 333 CA PRO A 23 9.328 -3.526 1.597 1.00 74.24 C ATOM 334 C PRO A 23 9.148 -2.999 3.015 1.00 51.23 C ATOM 335 O PRO A 23 8.039 -2.638 3.412 1.00 30.33 O ATOM 336 CB PRO A 23 9.521 -2.372 0.608 1.00 72.51 C ATOM 337 CG PRO A 23 8.174 -2.139 0.019 1.00 32.31 C ATOM 338 CD PRO A 23 7.501 -3.481 -0.014 1.00 63.34 C ATOM 0 HA PRO A 23 10.184 -4.199 1.635 1.00 74.24 H new ATOM 0 HB2 PRO A 23 9.891 -1.479 1.111 1.00 72.51 H new ATOM 0 HB3 PRO A 23 10.249 -2.629 -0.161 1.00 72.51 H new ATOM 0 HG2 PRO A 23 7.603 -1.430 0.619 1.00 32.31 H new ATOM 0 HG3 PRO A 23 8.254 -1.717 -0.983 1.00 32.31 H new ATOM 0 HD2 PRO A 23 6.420 -3.394 0.097 1.00 63.34 H new ATOM 0 HD3 PRO A 23 7.684 -4.001 -0.954 1.00 63.34 H new ATOM 346 N ALA A 24 10.225 -2.976 3.783 1.00 22.02 N ATOM 347 CA ALA A 24 10.158 -2.521 5.163 1.00 74.11 C ATOM 348 C ALA A 24 9.798 -1.043 5.236 1.00 54.31 C ATOM 349 O ALA A 24 9.095 -0.607 6.149 1.00 2.14 O ATOM 350 CB ALA A 24 11.475 -2.781 5.872 1.00 1.24 C ATOM 0 H ALA A 24 11.154 -3.266 3.476 1.00 22.02 H new ATOM 0 HA ALA A 24 9.373 -3.085 5.666 1.00 74.11 H new ATOM 0 HB1 ALA A 24 11.408 -2.435 6.903 1.00 1.24 H new ATOM 0 HB2 ALA A 24 11.689 -3.850 5.861 1.00 1.24 H new ATOM 0 HB3 ALA A 24 12.275 -2.246 5.361 1.00 1.24 H new ATOM 356 N ASN A 25 10.270 -0.277 4.261 1.00 23.40 N ATOM 357 CA ASN A 25 10.005 1.152 4.218 1.00 24.31 C ATOM 358 C ASN A 25 8.673 1.423 3.531 1.00 64.33 C ATOM 359 O ASN A 25 8.628 1.760 2.348 1.00 11.31 O ATOM 360 CB ASN A 25 11.130 1.905 3.492 1.00 72.35 C ATOM 361 CG ASN A 25 12.479 1.789 4.184 1.00 61.04 C ATOM 362 OD1 ASN A 25 12.753 0.818 4.889 1.00 52.20 O ATOM 363 ND2 ASN A 25 13.341 2.770 3.972 1.00 2.22 N ATOM 0 H ASN A 25 10.839 -0.624 3.489 1.00 23.40 H new ATOM 0 HA ASN A 25 9.959 1.514 5.245 1.00 24.31 H new ATOM 0 HB2 ASN A 25 11.217 1.521 2.476 1.00 72.35 H new ATOM 0 HB3 ASN A 25 10.860 2.958 3.413 1.00 72.35 H new ATOM 0 HD21 ASN A 25 14.267 2.737 4.399 1.00 2.22 H new ATOM 0 HD22 ASN A 25 13.080 3.560 3.382 1.00 2.22 H new ATOM 370 N LEU A 26 7.588 1.237 4.269 1.00 73.43 N ATOM 371 CA LEU A 26 6.252 1.512 3.750 1.00 3.43 C ATOM 372 C LEU A 26 5.805 2.908 4.157 1.00 24.14 C ATOM 373 O LEU A 26 5.295 3.671 3.341 1.00 21.32 O ATOM 374 CB LEU A 26 5.245 0.479 4.261 1.00 44.31 C ATOM 375 CG LEU A 26 5.418 -0.936 3.710 1.00 61.41 C ATOM 376 CD1 LEU A 26 4.396 -1.873 4.329 1.00 41.33 C ATOM 377 CD2 LEU A 26 5.282 -0.936 2.196 1.00 21.21 C ATOM 0 H LEU A 26 7.605 0.896 5.230 1.00 73.43 H new ATOM 0 HA LEU A 26 6.293 1.450 2.663 1.00 3.43 H new ATOM 0 HB2 LEU A 26 5.313 0.438 5.348 1.00 44.31 H new ATOM 0 HB3 LEU A 26 4.240 0.825 4.017 1.00 44.31 H new ATOM 0 HG LEU A 26 6.416 -1.288 3.970 1.00 61.41 H new ATOM 0 HD11 LEU A 26 4.532 -2.877 3.927 1.00 41.33 H new ATOM 0 HD12 LEU A 26 4.530 -1.894 5.411 1.00 41.33 H new ATOM 0 HD13 LEU A 26 3.391 -1.521 4.095 1.00 41.33 H new ATOM 0 HD21 LEU A 26 5.408 -1.951 1.819 1.00 21.21 H new ATOM 0 HD22 LEU A 26 4.295 -0.566 1.919 1.00 21.21 H new ATOM 0 HD23 LEU A 26 6.046 -0.291 1.762 1.00 21.21 H new ATOM 389 N ASP A 27 6.020 3.238 5.424 1.00 72.31 N ATOM 390 CA ASP A 27 5.648 4.545 5.958 1.00 52.41 C ATOM 391 C ASP A 27 6.602 5.612 5.440 1.00 21.13 C ATOM 392 O ASP A 27 6.258 6.791 5.358 1.00 20.22 O ATOM 393 CB ASP A 27 5.674 4.517 7.491 1.00 23.24 C ATOM 394 CG ASP A 27 7.072 4.310 8.042 1.00 1.00 C ATOM 395 OD1 ASP A 27 7.694 3.276 7.721 1.00 73.11 O ATOM 396 OD2 ASP A 27 7.556 5.181 8.796 1.00 24.24 O ATOM 0 H ASP A 27 6.453 2.615 6.106 1.00 72.31 H new ATOM 0 HA ASP A 27 4.637 4.784 5.628 1.00 52.41 H new ATOM 0 HB2 ASP A 27 5.270 5.453 7.876 1.00 23.24 H new ATOM 0 HB3 ASP A 27 5.024 3.718 7.848 1.00 23.24 H new ATOM 401 N ASP A 28 7.803 5.177 5.082 1.00 12.44 N ATOM 402 CA ASP A 28 8.827 6.074 4.567 1.00 15.02 C ATOM 403 C ASP A 28 8.505 6.510 3.138 1.00 62.01 C ATOM 404 O ASP A 28 8.965 7.552 2.677 1.00 1.53 O ATOM 405 CB ASP A 28 10.198 5.393 4.617 1.00 71.52 C ATOM 406 CG ASP A 28 11.308 6.269 4.073 1.00 0.42 C ATOM 407 OD1 ASP A 28 11.807 7.140 4.814 1.00 14.31 O ATOM 408 OD2 ASP A 28 11.691 6.083 2.901 1.00 23.34 O ATOM 0 H ASP A 28 8.093 4.201 5.140 1.00 12.44 H new ATOM 0 HA ASP A 28 8.849 6.964 5.196 1.00 15.02 H new ATOM 0 HB2 ASP A 28 10.427 5.122 5.648 1.00 71.52 H new ATOM 0 HB3 ASP A 28 10.159 4.466 4.045 1.00 71.52 H new ATOM 413 N MET A 29 7.706 5.716 2.438 1.00 72.23 N ATOM 414 CA MET A 29 7.330 6.048 1.071 1.00 55.51 C ATOM 415 C MET A 29 6.155 7.009 1.066 1.00 62.25 C ATOM 416 O MET A 29 5.294 6.953 1.941 1.00 24.04 O ATOM 417 CB MET A 29 6.973 4.797 0.267 1.00 44.32 C ATOM 418 CG MET A 29 8.124 3.823 0.100 1.00 61.32 C ATOM 419 SD MET A 29 7.757 2.517 -1.089 1.00 1.21 S ATOM 420 CE MET A 29 6.199 1.904 -0.460 1.00 63.21 C ATOM 0 H MET A 29 7.309 4.845 2.790 1.00 72.23 H new ATOM 0 HA MET A 29 8.191 6.522 0.600 1.00 55.51 H new ATOM 0 HB2 MET A 29 6.146 4.285 0.759 1.00 44.32 H new ATOM 0 HB3 MET A 29 6.620 5.099 -0.719 1.00 44.32 H new ATOM 0 HG2 MET A 29 9.011 4.366 -0.225 1.00 61.32 H new ATOM 0 HG3 MET A 29 8.360 3.375 1.065 1.00 61.32 H new ATOM 0 HE1 MET A 29 6.185 0.816 -0.521 1.00 63.21 H new ATOM 0 HE2 MET A 29 6.080 2.210 0.579 1.00 63.21 H new ATOM 0 HE3 MET A 29 5.381 2.312 -1.054 1.00 63.21 H new ATOM 430 N LYS A 30 6.139 7.897 0.088 1.00 43.13 N ATOM 431 CA LYS A 30 5.057 8.856 -0.065 1.00 51.42 C ATOM 432 C LYS A 30 3.742 8.164 -0.393 1.00 24.11 C ATOM 433 O LYS A 30 3.719 7.001 -0.802 1.00 65.10 O ATOM 434 CB LYS A 30 5.387 9.850 -1.174 1.00 53.22 C ATOM 435 CG LYS A 30 6.531 10.784 -0.842 1.00 72.21 C ATOM 436 CD LYS A 30 6.920 11.610 -2.049 1.00 70.11 C ATOM 437 CE LYS A 30 7.878 12.722 -1.675 1.00 14.40 C ATOM 438 NZ LYS A 30 9.132 12.210 -1.063 1.00 73.34 N ATOM 0 H LYS A 30 6.870 7.975 -0.619 1.00 43.13 H new ATOM 0 HA LYS A 30 4.948 9.381 0.884 1.00 51.42 H new ATOM 0 HB2 LYS A 30 5.633 9.298 -2.081 1.00 53.22 H new ATOM 0 HB3 LYS A 30 4.499 10.443 -1.393 1.00 53.22 H new ATOM 0 HG2 LYS A 30 6.242 11.443 -0.023 1.00 72.21 H new ATOM 0 HG3 LYS A 30 7.390 10.207 -0.499 1.00 72.21 H new ATOM 0 HD2 LYS A 30 7.382 10.967 -2.798 1.00 70.11 H new ATOM 0 HD3 LYS A 30 6.025 12.036 -2.503 1.00 70.11 H new ATOM 0 HE2 LYS A 30 8.122 13.302 -2.565 1.00 14.40 H new ATOM 0 HE3 LYS A 30 7.387 13.401 -0.977 1.00 14.40 H new ATOM 0 HZ1 LYS A 30 9.788 13.001 -0.903 1.00 73.34 H new ATOM 0 HZ2 LYS A 30 8.913 11.752 -0.155 1.00 73.34 H new ATOM 0 HZ3 LYS A 30 9.573 11.518 -1.702 1.00 73.34 H new ATOM 452 N VAL A 31 2.651 8.899 -0.229 1.00 51.33 N ATOM 453 CA VAL A 31 1.327 8.411 -0.593 1.00 74.31 C ATOM 454 C VAL A 31 1.305 8.012 -2.067 1.00 64.52 C ATOM 455 O VAL A 31 0.700 7.011 -2.454 1.00 63.53 O ATOM 456 CB VAL A 31 0.252 9.488 -0.337 1.00 61.44 C ATOM 457 CG1 VAL A 31 -1.138 8.965 -0.661 1.00 10.35 C ATOM 458 CG2 VAL A 31 0.319 9.983 1.100 1.00 54.21 C ATOM 0 H VAL A 31 2.657 9.843 0.157 1.00 51.33 H new ATOM 0 HA VAL A 31 1.105 7.542 0.026 1.00 74.31 H new ATOM 0 HB VAL A 31 0.456 10.329 -1.000 1.00 61.44 H new ATOM 0 HG11 VAL A 31 -1.874 9.746 -0.471 1.00 10.35 H new ATOM 0 HG12 VAL A 31 -1.181 8.673 -1.710 1.00 10.35 H new ATOM 0 HG13 VAL A 31 -1.357 8.100 -0.035 1.00 10.35 H new ATOM 0 HG21 VAL A 31 -0.447 10.742 1.260 1.00 54.21 H new ATOM 0 HG22 VAL A 31 0.150 9.148 1.781 1.00 54.21 H new ATOM 0 HG23 VAL A 31 1.302 10.414 1.291 1.00 54.21 H new ATOM 468 N ALA A 32 1.996 8.805 -2.877 1.00 72.41 N ATOM 469 CA ALA A 32 2.114 8.545 -4.303 1.00 61.23 C ATOM 470 C ALA A 32 2.798 7.208 -4.566 1.00 53.12 C ATOM 471 O ALA A 32 2.358 6.433 -5.419 1.00 64.35 O ATOM 472 CB ALA A 32 2.884 9.673 -4.967 1.00 43.14 C ATOM 0 H ALA A 32 2.488 9.642 -2.564 1.00 72.41 H new ATOM 0 HA ALA A 32 1.112 8.494 -4.728 1.00 61.23 H new ATOM 0 HB1 ALA A 32 2.971 9.475 -6.035 1.00 43.14 H new ATOM 0 HB2 ALA A 32 2.355 10.614 -4.814 1.00 43.14 H new ATOM 0 HB3 ALA A 32 3.880 9.741 -4.529 1.00 43.14 H new ATOM 478 N GLU A 33 3.866 6.937 -3.824 1.00 71.44 N ATOM 479 CA GLU A 33 4.609 5.692 -3.980 1.00 72.53 C ATOM 480 C GLU A 33 3.759 4.500 -3.559 1.00 61.04 C ATOM 481 O GLU A 33 3.820 3.437 -4.172 1.00 71.42 O ATOM 482 CB GLU A 33 5.898 5.728 -3.160 1.00 12.42 C ATOM 483 CG GLU A 33 6.754 6.956 -3.426 1.00 52.42 C ATOM 484 CD GLU A 33 7.058 7.150 -4.897 1.00 43.24 C ATOM 485 OE1 GLU A 33 8.061 6.586 -5.383 1.00 3.42 O ATOM 486 OE2 GLU A 33 6.296 7.873 -5.576 1.00 44.41 O ATOM 0 H GLU A 33 4.237 7.563 -3.109 1.00 71.44 H new ATOM 0 HA GLU A 33 4.866 5.583 -5.034 1.00 72.53 H new ATOM 0 HB2 GLU A 33 5.646 5.694 -2.100 1.00 12.42 H new ATOM 0 HB3 GLU A 33 6.482 4.834 -3.378 1.00 12.42 H new ATOM 0 HG2 GLU A 33 6.242 7.840 -3.046 1.00 52.42 H new ATOM 0 HG3 GLU A 33 7.690 6.868 -2.874 1.00 52.42 H new ATOM 493 N LEU A 34 2.969 4.690 -2.510 1.00 71.40 N ATOM 494 CA LEU A 34 2.050 3.657 -2.046 1.00 4.03 C ATOM 495 C LEU A 34 1.044 3.315 -3.140 1.00 2.42 C ATOM 496 O LEU A 34 0.761 2.143 -3.396 1.00 10.11 O ATOM 497 CB LEU A 34 1.311 4.121 -0.789 1.00 72.41 C ATOM 498 CG LEU A 34 2.192 4.417 0.424 1.00 25.55 C ATOM 499 CD1 LEU A 34 1.348 4.941 1.572 1.00 14.45 C ATOM 500 CD2 LEU A 34 2.949 3.169 0.851 1.00 41.14 C ATOM 0 H LEU A 34 2.946 5.551 -1.963 1.00 71.40 H new ATOM 0 HA LEU A 34 2.630 2.766 -1.804 1.00 4.03 H new ATOM 0 HB2 LEU A 34 0.746 5.020 -1.033 1.00 72.41 H new ATOM 0 HB3 LEU A 34 0.587 3.355 -0.511 1.00 72.41 H new ATOM 0 HG LEU A 34 2.917 5.182 0.146 1.00 25.55 H new ATOM 0 HD11 LEU A 34 1.988 5.148 2.430 1.00 14.45 H new ATOM 0 HD12 LEU A 34 0.845 5.858 1.265 1.00 14.45 H new ATOM 0 HD13 LEU A 34 0.603 4.194 1.847 1.00 14.45 H new ATOM 0 HD21 LEU A 34 3.571 3.399 1.716 1.00 41.14 H new ATOM 0 HD22 LEU A 34 2.239 2.385 1.113 1.00 41.14 H new ATOM 0 HD23 LEU A 34 3.580 2.828 0.031 1.00 41.14 H new ATOM 512 N LYS A 35 0.524 4.348 -3.794 1.00 73.54 N ATOM 513 CA LYS A 35 -0.469 4.169 -4.844 1.00 41.51 C ATOM 514 C LYS A 35 0.116 3.438 -6.048 1.00 60.25 C ATOM 515 O LYS A 35 -0.613 2.772 -6.781 1.00 25.22 O ATOM 516 CB LYS A 35 -1.055 5.520 -5.262 1.00 71.53 C ATOM 517 CG LYS A 35 -1.925 6.149 -4.188 1.00 74.31 C ATOM 518 CD LYS A 35 -2.534 7.465 -4.647 1.00 11.00 C ATOM 519 CE LYS A 35 -3.500 8.019 -3.609 1.00 3.34 C ATOM 520 NZ LYS A 35 -4.130 9.294 -4.048 1.00 72.12 N ATOM 0 H LYS A 35 0.775 5.320 -3.614 1.00 73.54 H new ATOM 0 HA LYS A 35 -1.272 3.550 -4.443 1.00 41.51 H new ATOM 0 HB2 LYS A 35 -0.241 6.202 -5.508 1.00 71.53 H new ATOM 0 HB3 LYS A 35 -1.645 5.388 -6.169 1.00 71.53 H new ATOM 0 HG2 LYS A 35 -2.721 5.457 -3.915 1.00 74.31 H new ATOM 0 HG3 LYS A 35 -1.329 6.319 -3.291 1.00 74.31 H new ATOM 0 HD2 LYS A 35 -1.741 8.190 -4.833 1.00 11.00 H new ATOM 0 HD3 LYS A 35 -3.058 7.316 -5.591 1.00 11.00 H new ATOM 0 HE2 LYS A 35 -4.278 7.282 -3.410 1.00 3.34 H new ATOM 0 HE3 LYS A 35 -2.968 8.183 -2.672 1.00 3.34 H new ATOM 0 HZ1 LYS A 35 -4.779 9.633 -3.309 1.00 72.12 H new ATOM 0 HZ2 LYS A 35 -3.391 10.007 -4.213 1.00 72.12 H new ATOM 0 HZ3 LYS A 35 -4.660 9.134 -4.928 1.00 72.12 H new ATOM 534 N GLN A 36 1.430 3.554 -6.240 1.00 41.43 N ATOM 535 CA GLN A 36 2.116 2.813 -7.296 1.00 74.44 C ATOM 536 C GLN A 36 1.926 1.316 -7.095 1.00 64.24 C ATOM 537 O GLN A 36 1.556 0.595 -8.021 1.00 53.54 O ATOM 538 CB GLN A 36 3.613 3.145 -7.317 1.00 44.54 C ATOM 539 CG GLN A 36 3.927 4.561 -7.762 1.00 0.21 C ATOM 540 CD GLN A 36 3.596 4.816 -9.222 1.00 63.45 C ATOM 541 OE1 GLN A 36 3.231 5.929 -9.596 1.00 31.04 O ATOM 542 NE2 GLN A 36 3.749 3.806 -10.065 1.00 3.31 N ATOM 0 H GLN A 36 2.038 4.152 -5.680 1.00 41.43 H new ATOM 0 HA GLN A 36 1.682 3.108 -8.251 1.00 74.44 H new ATOM 0 HB2 GLN A 36 4.023 2.990 -6.319 1.00 44.54 H new ATOM 0 HB3 GLN A 36 4.120 2.446 -7.982 1.00 44.54 H new ATOM 0 HG2 GLN A 36 3.369 5.262 -7.142 1.00 0.21 H new ATOM 0 HG3 GLN A 36 4.986 4.761 -7.596 1.00 0.21 H new ATOM 0 HE21 GLN A 36 4.053 2.896 -9.720 1.00 3.31 H new ATOM 0 HE22 GLN A 36 3.562 3.939 -11.059 1.00 3.31 H new ATOM 551 N GLU A 37 2.168 0.858 -5.870 1.00 52.15 N ATOM 552 CA GLU A 37 1.988 -0.546 -5.528 1.00 55.14 C ATOM 553 C GLU A 37 0.516 -0.933 -5.567 1.00 72.53 C ATOM 554 O GLU A 37 0.157 -1.972 -6.114 1.00 63.35 O ATOM 555 CB GLU A 37 2.563 -0.843 -4.143 1.00 21.54 C ATOM 556 CG GLU A 37 4.077 -0.933 -4.117 1.00 34.12 C ATOM 557 CD GLU A 37 4.593 -2.109 -4.920 1.00 12.34 C ATOM 558 OE1 GLU A 37 4.621 -3.237 -4.380 1.00 32.23 O ATOM 559 OE2 GLU A 37 4.971 -1.916 -6.094 1.00 63.00 O ATOM 0 H GLU A 37 2.490 1.441 -5.098 1.00 52.15 H new ATOM 0 HA GLU A 37 2.524 -1.138 -6.269 1.00 55.14 H new ATOM 0 HB2 GLU A 37 2.242 -0.064 -3.452 1.00 21.54 H new ATOM 0 HB3 GLU A 37 2.146 -1.782 -3.780 1.00 21.54 H new ATOM 0 HG2 GLU A 37 4.501 -0.010 -4.513 1.00 34.12 H new ATOM 0 HG3 GLU A 37 4.416 -1.023 -3.085 1.00 34.12 H new ATOM 566 N LEU A 38 -0.330 -0.085 -4.989 1.00 34.40 N ATOM 567 CA LEU A 38 -1.765 -0.345 -4.920 1.00 13.23 C ATOM 568 C LEU A 38 -2.352 -0.611 -6.305 1.00 23.41 C ATOM 569 O LEU A 38 -2.981 -1.644 -6.529 1.00 73.35 O ATOM 570 CB LEU A 38 -2.490 0.839 -4.271 1.00 0.54 C ATOM 571 CG LEU A 38 -2.130 1.106 -2.808 1.00 33.30 C ATOM 572 CD1 LEU A 38 -2.691 2.444 -2.369 1.00 53.23 C ATOM 573 CD2 LEU A 38 -2.654 -0.004 -1.905 1.00 2.34 C ATOM 0 H LEU A 38 -0.044 0.794 -4.559 1.00 34.40 H new ATOM 0 HA LEU A 38 -1.909 -1.237 -4.311 1.00 13.23 H new ATOM 0 HB2 LEU A 38 -2.275 1.737 -4.850 1.00 0.54 H new ATOM 0 HB3 LEU A 38 -3.564 0.666 -4.338 1.00 0.54 H new ATOM 0 HG LEU A 38 -1.044 1.129 -2.723 1.00 33.30 H new ATOM 0 HD11 LEU A 38 -2.429 2.624 -1.326 1.00 53.23 H new ATOM 0 HD12 LEU A 38 -2.272 3.236 -2.990 1.00 53.23 H new ATOM 0 HD13 LEU A 38 -3.776 2.436 -2.474 1.00 53.23 H new ATOM 0 HD21 LEU A 38 -2.384 0.211 -0.871 1.00 2.34 H new ATOM 0 HD22 LEU A 38 -3.739 -0.063 -1.993 1.00 2.34 H new ATOM 0 HD23 LEU A 38 -2.214 -0.955 -2.205 1.00 2.34 H new ATOM 585 N LYS A 39 -2.110 0.306 -7.239 1.00 63.52 N ATOM 586 CA LYS A 39 -2.708 0.220 -8.568 1.00 1.52 C ATOM 587 C LYS A 39 -2.187 -0.994 -9.344 1.00 31.22 C ATOM 588 O LYS A 39 -2.884 -1.532 -10.205 1.00 12.03 O ATOM 589 CB LYS A 39 -2.444 1.509 -9.357 1.00 71.30 C ATOM 590 CG LYS A 39 -0.982 1.726 -9.717 1.00 31.11 C ATOM 591 CD LYS A 39 -0.749 3.106 -10.310 1.00 63.41 C ATOM 592 CE LYS A 39 -1.644 3.361 -11.513 1.00 43.22 C ATOM 593 NZ LYS A 39 -1.356 4.672 -12.145 1.00 33.30 N ATOM 0 H LYS A 39 -1.505 1.115 -7.100 1.00 63.52 H new ATOM 0 HA LYS A 39 -3.783 0.096 -8.439 1.00 1.52 H new ATOM 0 HB2 LYS A 39 -3.034 1.489 -10.273 1.00 71.30 H new ATOM 0 HB3 LYS A 39 -2.793 2.359 -8.771 1.00 71.30 H new ATOM 0 HG2 LYS A 39 -0.366 1.604 -8.826 1.00 31.11 H new ATOM 0 HG3 LYS A 39 -0.666 0.965 -10.430 1.00 31.11 H new ATOM 0 HD2 LYS A 39 -0.936 3.865 -9.550 1.00 63.41 H new ATOM 0 HD3 LYS A 39 0.295 3.203 -10.607 1.00 63.41 H new ATOM 0 HE2 LYS A 39 -1.504 2.566 -12.245 1.00 43.22 H new ATOM 0 HE3 LYS A 39 -2.688 3.329 -11.203 1.00 43.22 H new ATOM 0 HZ1 LYS A 39 -1.986 4.810 -12.961 1.00 33.30 H new ATOM 0 HZ2 LYS A 39 -1.514 5.433 -11.454 1.00 33.30 H new ATOM 0 HZ3 LYS A 39 -0.366 4.694 -12.464 1.00 33.30 H new ATOM 607 N LEU A 40 -0.971 -1.428 -9.029 1.00 2.15 N ATOM 608 CA LEU A 40 -0.368 -2.574 -9.702 1.00 61.54 C ATOM 609 C LEU A 40 -0.802 -3.886 -9.063 1.00 4.13 C ATOM 610 O LEU A 40 -0.931 -4.906 -9.737 1.00 1.13 O ATOM 611 CB LEU A 40 1.160 -2.476 -9.660 1.00 14.43 C ATOM 612 CG LEU A 40 1.780 -1.414 -10.571 1.00 0.35 C ATOM 613 CD1 LEU A 40 3.283 -1.342 -10.352 1.00 63.44 C ATOM 614 CD2 LEU A 40 1.469 -1.721 -12.028 1.00 63.03 C ATOM 0 H LEU A 40 -0.383 -1.004 -8.312 1.00 2.15 H new ATOM 0 HA LEU A 40 -0.709 -2.560 -10.737 1.00 61.54 H new ATOM 0 HB2 LEU A 40 1.465 -2.271 -8.634 1.00 14.43 H new ATOM 0 HB3 LEU A 40 1.576 -3.447 -9.929 1.00 14.43 H new ATOM 0 HG LEU A 40 1.347 -0.445 -10.321 1.00 0.35 H new ATOM 0 HD11 LEU A 40 3.710 -0.582 -11.007 1.00 63.44 H new ATOM 0 HD12 LEU A 40 3.487 -1.082 -9.313 1.00 63.44 H new ATOM 0 HD13 LEU A 40 3.730 -2.310 -10.579 1.00 63.44 H new ATOM 0 HD21 LEU A 40 1.916 -0.957 -12.664 1.00 63.03 H new ATOM 0 HD22 LEU A 40 1.878 -2.697 -12.290 1.00 63.03 H new ATOM 0 HD23 LEU A 40 0.389 -1.729 -12.176 1.00 63.03 H new ATOM 626 N ARG A 41 -1.036 -3.855 -7.763 1.00 21.12 N ATOM 627 CA ARG A 41 -1.299 -5.071 -7.012 1.00 1.33 C ATOM 628 C ARG A 41 -2.780 -5.188 -6.647 1.00 62.10 C ATOM 629 O ARG A 41 -3.125 -5.683 -5.578 1.00 43.24 O ATOM 630 CB ARG A 41 -0.406 -5.103 -5.767 1.00 1.21 C ATOM 631 CG ARG A 41 1.073 -4.943 -6.104 1.00 42.11 C ATOM 632 CD ARG A 41 1.952 -4.896 -4.865 1.00 24.52 C ATOM 633 NE ARG A 41 2.154 -6.213 -4.266 1.00 73.04 N ATOM 634 CZ ARG A 41 3.139 -6.492 -3.412 1.00 43.41 C ATOM 635 NH1 ARG A 41 4.038 -5.565 -3.087 1.00 63.13 N ATOM 636 NH2 ARG A 41 3.246 -7.711 -2.904 1.00 40.11 N ATOM 0 H ARG A 41 -1.049 -3.001 -7.205 1.00 21.12 H new ATOM 0 HA ARG A 41 -1.061 -5.933 -7.635 1.00 1.33 H new ATOM 0 HB2 ARG A 41 -0.708 -4.307 -5.087 1.00 1.21 H new ATOM 0 HB3 ARG A 41 -0.555 -6.046 -5.241 1.00 1.21 H new ATOM 0 HG2 ARG A 41 1.389 -5.771 -6.738 1.00 42.11 H new ATOM 0 HG3 ARG A 41 1.214 -4.028 -6.680 1.00 42.11 H new ATOM 0 HD2 ARG A 41 2.920 -4.469 -5.127 1.00 24.52 H new ATOM 0 HD3 ARG A 41 1.499 -4.232 -4.129 1.00 24.52 H new ATOM 0 HE ARG A 41 1.506 -6.960 -4.515 1.00 73.04 H new ATOM 0 HH11 ARG A 41 3.977 -4.631 -3.492 1.00 63.13 H new ATOM 0 HH12 ARG A 41 4.788 -5.789 -2.433 1.00 63.13 H new ATOM 0 HH21 ARG A 41 2.576 -8.434 -3.167 1.00 40.11 H new ATOM 0 HH22 ARG A 41 3.999 -7.927 -2.250 1.00 40.11 H new ATOM 650 N SER A 42 -3.644 -4.720 -7.554 1.00 1.44 N ATOM 651 CA SER A 42 -5.095 -4.942 -7.457 1.00 73.10 C ATOM 652 C SER A 42 -5.707 -4.291 -6.213 1.00 42.13 C ATOM 653 O SER A 42 -6.742 -4.736 -5.712 1.00 51.43 O ATOM 654 CB SER A 42 -5.383 -6.444 -7.445 1.00 2.52 C ATOM 655 OG SER A 42 -4.732 -7.097 -8.526 1.00 14.35 O ATOM 0 H SER A 42 -3.362 -4.180 -8.372 1.00 1.44 H new ATOM 0 HA SER A 42 -5.555 -4.473 -8.327 1.00 73.10 H new ATOM 0 HB2 SER A 42 -5.048 -6.874 -6.501 1.00 2.52 H new ATOM 0 HB3 SER A 42 -6.458 -6.612 -7.509 1.00 2.52 H new ATOM 0 HG SER A 42 -4.930 -8.056 -8.496 1.00 14.35 H new ATOM 661 N LEU A 43 -5.092 -3.224 -5.744 1.00 74.41 N ATOM 662 CA LEU A 43 -5.532 -2.572 -4.523 1.00 44.23 C ATOM 663 C LEU A 43 -6.133 -1.196 -4.797 1.00 30.21 C ATOM 664 O LEU A 43 -5.700 -0.483 -5.705 1.00 42.25 O ATOM 665 CB LEU A 43 -4.354 -2.450 -3.558 1.00 32.14 C ATOM 666 CG LEU A 43 -3.962 -3.745 -2.853 1.00 63.23 C ATOM 667 CD1 LEU A 43 -2.586 -3.610 -2.220 1.00 73.54 C ATOM 668 CD2 LEU A 43 -5.002 -4.086 -1.800 1.00 0.51 C ATOM 0 H LEU A 43 -4.285 -2.788 -6.189 1.00 74.41 H new ATOM 0 HA LEU A 43 -6.315 -3.185 -4.076 1.00 44.23 H new ATOM 0 HB2 LEU A 43 -3.490 -2.077 -4.108 1.00 32.14 H new ATOM 0 HB3 LEU A 43 -4.598 -1.702 -2.803 1.00 32.14 H new ATOM 0 HG LEU A 43 -3.920 -4.551 -3.585 1.00 63.23 H new ATOM 0 HD11 LEU A 43 -2.322 -4.543 -1.721 1.00 73.54 H new ATOM 0 HD12 LEU A 43 -1.850 -3.391 -2.993 1.00 73.54 H new ATOM 0 HD13 LEU A 43 -2.599 -2.800 -1.491 1.00 73.54 H new ATOM 0 HD21 LEU A 43 -4.721 -5.011 -1.297 1.00 0.51 H new ATOM 0 HD22 LEU A 43 -5.059 -3.279 -1.070 1.00 0.51 H new ATOM 0 HD23 LEU A 43 -5.974 -4.213 -2.276 1.00 0.51 H new ATOM 680 N PRO A 44 -7.167 -0.821 -4.027 1.00 55.42 N ATOM 681 CA PRO A 44 -7.769 0.509 -4.110 1.00 64.32 C ATOM 682 C PRO A 44 -6.823 1.594 -3.597 1.00 1.30 C ATOM 683 O PRO A 44 -6.226 1.461 -2.528 1.00 2.04 O ATOM 684 CB PRO A 44 -9.013 0.402 -3.220 1.00 42.33 C ATOM 685 CG PRO A 44 -8.722 -0.716 -2.281 1.00 61.13 C ATOM 686 CD PRO A 44 -7.835 -1.673 -3.028 1.00 1.44 C ATOM 0 HA PRO A 44 -8.001 0.793 -5.137 1.00 64.32 H new ATOM 0 HB2 PRO A 44 -9.194 1.332 -2.682 1.00 42.33 H new ATOM 0 HB3 PRO A 44 -9.905 0.198 -3.812 1.00 42.33 H new ATOM 0 HG2 PRO A 44 -8.228 -0.350 -1.381 1.00 61.13 H new ATOM 0 HG3 PRO A 44 -9.642 -1.206 -1.963 1.00 61.13 H new ATOM 0 HD2 PRO A 44 -7.115 -2.153 -2.365 1.00 1.44 H new ATOM 0 HD3 PRO A 44 -8.412 -2.468 -3.501 1.00 1.44 H new ATOM 694 N VAL A 45 -6.695 2.667 -4.367 1.00 45.30 N ATOM 695 CA VAL A 45 -5.782 3.753 -4.024 1.00 75.13 C ATOM 696 C VAL A 45 -6.477 4.802 -3.153 1.00 64.42 C ATOM 697 O VAL A 45 -5.914 5.859 -2.864 1.00 2.11 O ATOM 698 CB VAL A 45 -5.199 4.428 -5.289 1.00 75.23 C ATOM 699 CG1 VAL A 45 -4.355 3.439 -6.081 1.00 20.24 C ATOM 700 CG2 VAL A 45 -6.306 5.006 -6.160 1.00 72.23 C ATOM 0 H VAL A 45 -7.212 2.810 -5.235 1.00 45.30 H new ATOM 0 HA VAL A 45 -4.961 3.312 -3.459 1.00 75.13 H new ATOM 0 HB VAL A 45 -4.559 5.250 -4.969 1.00 75.23 H new ATOM 0 HG11 VAL A 45 -3.953 3.931 -6.967 1.00 20.24 H new ATOM 0 HG12 VAL A 45 -3.533 3.083 -5.460 1.00 20.24 H new ATOM 0 HG13 VAL A 45 -4.973 2.594 -6.384 1.00 20.24 H new ATOM 0 HG21 VAL A 45 -5.868 5.474 -7.042 1.00 72.23 H new ATOM 0 HG22 VAL A 45 -6.980 4.207 -6.470 1.00 72.23 H new ATOM 0 HG23 VAL A 45 -6.864 5.751 -5.593 1.00 72.23 H new ATOM 710 N SER A 46 -7.696 4.497 -2.737 1.00 13.24 N ATOM 711 CA SER A 46 -8.464 5.386 -1.884 1.00 14.23 C ATOM 712 C SER A 46 -8.176 5.106 -0.410 1.00 4.33 C ATOM 713 O SER A 46 -8.357 3.980 0.066 1.00 13.32 O ATOM 714 CB SER A 46 -9.952 5.207 -2.180 1.00 3.12 C ATOM 715 OG SER A 46 -10.306 3.835 -2.140 1.00 22.25 O ATOM 0 H SER A 46 -8.177 3.631 -2.980 1.00 13.24 H new ATOM 0 HA SER A 46 -8.174 6.416 -2.091 1.00 14.23 H new ATOM 0 HB2 SER A 46 -10.543 5.762 -1.451 1.00 3.12 H new ATOM 0 HB3 SER A 46 -10.186 5.620 -3.161 1.00 3.12 H new ATOM 0 HG SER A 46 -9.846 3.400 -1.392 1.00 22.25 H new ATOM 721 N GLY A 47 -7.720 6.123 0.305 1.00 34.32 N ATOM 722 CA GLY A 47 -7.453 5.969 1.717 1.00 1.14 C ATOM 723 C GLY A 47 -6.372 6.911 2.200 1.00 11.43 C ATOM 724 O GLY A 47 -5.709 7.573 1.398 1.00 13.44 O ATOM 0 H GLY A 47 -7.530 7.053 -0.069 1.00 34.32 H new ATOM 0 HA2 GLY A 47 -8.369 6.150 2.280 1.00 1.14 H new ATOM 0 HA3 GLY A 47 -7.153 4.941 1.918 1.00 1.14 H new ATOM 728 N THR A 48 -6.192 6.972 3.509 1.00 23.33 N ATOM 729 CA THR A 48 -5.178 7.823 4.108 1.00 30.32 C ATOM 730 C THR A 48 -3.813 7.151 4.049 1.00 74.21 C ATOM 731 O THR A 48 -3.696 6.009 3.599 1.00 13.31 O ATOM 732 CB THR A 48 -5.527 8.136 5.572 1.00 2.32 C ATOM 733 OG1 THR A 48 -5.654 6.918 6.318 1.00 64.42 O ATOM 734 CG2 THR A 48 -6.822 8.925 5.656 1.00 11.32 C ATOM 0 H THR A 48 -6.741 6.437 4.182 1.00 23.33 H new ATOM 0 HA THR A 48 -5.146 8.754 3.541 1.00 30.32 H new ATOM 0 HB THR A 48 -4.723 8.737 5.996 1.00 2.32 H new ATOM 0 HG1 THR A 48 -5.875 7.127 7.250 1.00 64.42 H new ATOM 0 HG21 THR A 48 -7.052 9.137 6.700 1.00 11.32 H new ATOM 0 HG22 THR A 48 -6.713 9.863 5.111 1.00 11.32 H new ATOM 0 HG23 THR A 48 -7.632 8.343 5.217 1.00 11.32 H new ATOM 742 N LYS A 49 -2.788 7.856 4.515 1.00 73.44 N ATOM 743 CA LYS A 49 -1.433 7.315 4.554 1.00 51.30 C ATOM 744 C LYS A 49 -1.408 5.981 5.301 1.00 31.22 C ATOM 745 O LYS A 49 -0.822 5.009 4.830 1.00 71.21 O ATOM 746 CB LYS A 49 -0.484 8.318 5.221 1.00 32.21 C ATOM 747 CG LYS A 49 0.964 7.854 5.303 1.00 31.23 C ATOM 748 CD LYS A 49 1.560 7.627 3.924 1.00 31.01 C ATOM 749 CE LYS A 49 2.995 7.134 4.006 1.00 30.43 C ATOM 750 NZ LYS A 49 3.924 8.171 4.529 1.00 74.31 N ATOM 0 H LYS A 49 -2.870 8.808 4.873 1.00 73.44 H new ATOM 0 HA LYS A 49 -1.099 7.141 3.531 1.00 51.30 H new ATOM 0 HB2 LYS A 49 -0.521 9.257 4.669 1.00 32.21 H new ATOM 0 HB3 LYS A 49 -0.844 8.526 6.229 1.00 32.21 H new ATOM 0 HG2 LYS A 49 1.555 8.598 5.837 1.00 31.23 H new ATOM 0 HG3 LYS A 49 1.018 6.930 5.879 1.00 31.23 H new ATOM 0 HD2 LYS A 49 0.956 6.900 3.382 1.00 31.01 H new ATOM 0 HD3 LYS A 49 1.526 8.556 3.356 1.00 31.01 H new ATOM 0 HE2 LYS A 49 3.038 6.255 4.649 1.00 30.43 H new ATOM 0 HE3 LYS A 49 3.325 6.821 3.016 1.00 30.43 H new ATOM 0 HZ1 LYS A 49 4.864 7.752 4.678 1.00 74.31 H new ATOM 0 HZ2 LYS A 49 3.997 8.950 3.843 1.00 74.31 H new ATOM 0 HZ3 LYS A 49 3.562 8.538 5.432 1.00 74.31 H new ATOM 764 N THR A 50 -2.069 5.940 6.452 1.00 2.11 N ATOM 765 CA THR A 50 -2.138 4.725 7.251 1.00 64.32 C ATOM 766 C THR A 50 -2.941 3.638 6.529 1.00 74.41 C ATOM 767 O THR A 50 -2.525 2.477 6.473 1.00 35.45 O ATOM 768 CB THR A 50 -2.775 5.012 8.625 1.00 72.25 C ATOM 769 OG1 THR A 50 -2.098 6.110 9.249 1.00 70.25 O ATOM 770 CG2 THR A 50 -2.705 3.791 9.528 1.00 4.42 C ATOM 0 H THR A 50 -2.565 6.736 6.852 1.00 2.11 H new ATOM 0 HA THR A 50 -1.119 4.368 7.398 1.00 64.32 H new ATOM 0 HB THR A 50 -3.824 5.263 8.470 1.00 72.25 H new ATOM 0 HG1 THR A 50 -2.505 6.292 10.122 1.00 70.25 H new ATOM 0 HG21 THR A 50 -3.162 4.023 10.490 1.00 4.42 H new ATOM 0 HG22 THR A 50 -3.240 2.963 9.063 1.00 4.42 H new ATOM 0 HG23 THR A 50 -1.663 3.510 9.680 1.00 4.42 H new ATOM 778 N GLU A 51 -4.077 4.032 5.951 1.00 1.30 N ATOM 779 CA GLU A 51 -4.961 3.094 5.264 1.00 15.41 C ATOM 780 C GLU A 51 -4.252 2.374 4.124 1.00 45.43 C ATOM 781 O GLU A 51 -4.352 1.156 3.999 1.00 12.20 O ATOM 782 CB GLU A 51 -6.196 3.813 4.718 1.00 12.03 C ATOM 783 CG GLU A 51 -7.229 4.155 5.777 1.00 24.33 C ATOM 784 CD GLU A 51 -7.791 2.918 6.444 1.00 31.11 C ATOM 785 OE1 GLU A 51 -8.435 2.108 5.750 1.00 35.21 O ATOM 786 OE2 GLU A 51 -7.578 2.743 7.663 1.00 32.11 O ATOM 0 H GLU A 51 -4.406 4.998 5.946 1.00 1.30 H new ATOM 0 HA GLU A 51 -5.267 2.351 6.001 1.00 15.41 H new ATOM 0 HB2 GLU A 51 -5.880 4.731 4.223 1.00 12.03 H new ATOM 0 HB3 GLU A 51 -6.663 3.186 3.959 1.00 12.03 H new ATOM 0 HG2 GLU A 51 -6.775 4.799 6.531 1.00 24.33 H new ATOM 0 HG3 GLU A 51 -8.041 4.721 5.321 1.00 24.33 H new ATOM 793 N LEU A 52 -3.535 3.126 3.300 1.00 41.24 N ATOM 794 CA LEU A 52 -2.874 2.555 2.131 1.00 61.23 C ATOM 795 C LEU A 52 -1.813 1.534 2.539 1.00 73.00 C ATOM 796 O LEU A 52 -1.652 0.501 1.890 1.00 44.12 O ATOM 797 CB LEU A 52 -2.250 3.660 1.278 1.00 60.40 C ATOM 798 CG LEU A 52 -3.218 4.752 0.815 1.00 24.15 C ATOM 799 CD1 LEU A 52 -2.519 5.720 -0.129 1.00 10.15 C ATOM 800 CD2 LEU A 52 -4.445 4.148 0.147 1.00 34.34 C ATOM 0 H LEU A 52 -3.396 4.130 3.417 1.00 41.24 H new ATOM 0 HA LEU A 52 -3.628 2.037 1.538 1.00 61.23 H new ATOM 0 HB2 LEU A 52 -1.447 4.127 1.848 1.00 60.40 H new ATOM 0 HB3 LEU A 52 -1.794 3.205 0.399 1.00 60.40 H new ATOM 0 HG LEU A 52 -3.550 5.303 1.695 1.00 24.15 H new ATOM 0 HD11 LEU A 52 -3.222 6.489 -0.448 1.00 10.15 H new ATOM 0 HD12 LEU A 52 -1.679 6.187 0.385 1.00 10.15 H new ATOM 0 HD13 LEU A 52 -2.154 5.178 -1.001 1.00 10.15 H new ATOM 0 HD21 LEU A 52 -5.115 4.946 -0.172 1.00 34.34 H new ATOM 0 HD22 LEU A 52 -4.137 3.565 -0.721 1.00 34.34 H new ATOM 0 HD23 LEU A 52 -4.963 3.500 0.855 1.00 34.34 H new ATOM 812 N ILE A 53 -1.103 1.821 3.625 1.00 34.00 N ATOM 813 CA ILE A 53 -0.082 0.909 4.130 1.00 13.03 C ATOM 814 C ILE A 53 -0.719 -0.386 4.631 1.00 42.43 C ATOM 815 O ILE A 53 -0.247 -1.485 4.326 1.00 63.00 O ATOM 816 CB ILE A 53 0.744 1.551 5.264 1.00 23.11 C ATOM 817 CG1 ILE A 53 1.428 2.826 4.765 1.00 11.40 C ATOM 818 CG2 ILE A 53 1.777 0.567 5.797 1.00 64.52 C ATOM 819 CD1 ILE A 53 2.160 3.591 5.846 1.00 64.13 C ATOM 0 H ILE A 53 -1.215 2.675 4.171 1.00 34.00 H new ATOM 0 HA ILE A 53 0.590 0.685 3.301 1.00 13.03 H new ATOM 0 HB ILE A 53 0.069 1.813 6.078 1.00 23.11 H new ATOM 0 HG12 ILE A 53 2.134 2.564 3.977 1.00 11.40 H new ATOM 0 HG13 ILE A 53 0.678 3.478 4.317 1.00 11.40 H new ATOM 0 HG21 ILE A 53 2.350 1.038 6.596 1.00 64.52 H new ATOM 0 HG22 ILE A 53 1.271 -0.317 6.186 1.00 64.52 H new ATOM 0 HG23 ILE A 53 2.451 0.275 4.991 1.00 64.52 H new ATOM 0 HD11 ILE A 53 2.618 4.481 5.415 1.00 64.13 H new ATOM 0 HD12 ILE A 53 1.455 3.886 6.624 1.00 64.13 H new ATOM 0 HD13 ILE A 53 2.934 2.958 6.279 1.00 64.13 H new ATOM 831 N GLU A 54 -1.808 -0.255 5.378 1.00 22.13 N ATOM 832 CA GLU A 54 -2.515 -1.416 5.902 1.00 22.13 C ATOM 833 C GLU A 54 -3.164 -2.199 4.766 1.00 31.13 C ATOM 834 O GLU A 54 -3.277 -3.422 4.826 1.00 72.11 O ATOM 835 CB GLU A 54 -3.577 -0.995 6.921 1.00 22.14 C ATOM 836 CG GLU A 54 -3.016 -0.250 8.120 1.00 35.22 C ATOM 837 CD GLU A 54 -1.979 -1.054 8.883 1.00 3.21 C ATOM 838 OE1 GLU A 54 -2.361 -1.794 9.809 1.00 15.30 O ATOM 839 OE2 GLU A 54 -0.777 -0.925 8.573 1.00 2.04 O ATOM 0 H GLU A 54 -2.220 0.642 5.634 1.00 22.13 H new ATOM 0 HA GLU A 54 -1.789 -2.055 6.405 1.00 22.13 H new ATOM 0 HB2 GLU A 54 -4.313 -0.363 6.424 1.00 22.14 H new ATOM 0 HB3 GLU A 54 -4.104 -1.883 7.271 1.00 22.14 H new ATOM 0 HG2 GLU A 54 -2.568 0.685 7.783 1.00 35.22 H new ATOM 0 HG3 GLU A 54 -3.832 0.012 8.793 1.00 35.22 H new ATOM 846 N ARG A 55 -3.577 -1.479 3.727 1.00 51.13 N ATOM 847 CA ARG A 55 -4.165 -2.093 2.543 1.00 21.32 C ATOM 848 C ARG A 55 -3.151 -3.032 1.893 1.00 61.13 C ATOM 849 O ARG A 55 -3.472 -4.167 1.537 1.00 24.12 O ATOM 850 CB ARG A 55 -4.589 -1.011 1.546 1.00 5.41 C ATOM 851 CG ARG A 55 -5.731 -1.426 0.634 1.00 32.12 C ATOM 852 CD ARG A 55 -7.014 -0.689 0.988 1.00 40.52 C ATOM 853 NE ARG A 55 -7.414 -0.910 2.377 1.00 5.22 N ATOM 854 CZ ARG A 55 -7.803 0.056 3.209 1.00 11.42 C ATOM 855 NH1 ARG A 55 -7.877 1.319 2.795 1.00 43.13 N ATOM 856 NH2 ARG A 55 -8.131 -0.241 4.458 1.00 22.05 N ATOM 0 H ARG A 55 -3.514 -0.462 3.683 1.00 51.13 H new ATOM 0 HA ARG A 55 -5.045 -2.664 2.838 1.00 21.32 H new ATOM 0 HB2 ARG A 55 -4.884 -0.118 2.098 1.00 5.41 H new ATOM 0 HB3 ARG A 55 -3.729 -0.738 0.934 1.00 5.41 H new ATOM 0 HG2 ARG A 55 -5.465 -1.221 -0.403 1.00 32.12 H new ATOM 0 HG3 ARG A 55 -5.892 -2.501 0.715 1.00 32.12 H new ATOM 0 HD2 ARG A 55 -6.876 0.379 0.817 1.00 40.52 H new ATOM 0 HD3 ARG A 55 -7.814 -1.017 0.325 1.00 40.52 H new ATOM 0 HE ARG A 55 -7.394 -1.866 2.732 1.00 5.22 H new ATOM 0 HH11 ARG A 55 -7.635 1.555 1.833 1.00 43.13 H new ATOM 0 HH12 ARG A 55 -8.176 2.050 3.440 1.00 43.13 H new ATOM 0 HH21 ARG A 55 -8.086 -1.207 4.781 1.00 22.05 H new ATOM 0 HH22 ARG A 55 -8.429 0.497 5.096 1.00 22.05 H new ATOM 870 N LEU A 56 -1.919 -2.547 1.760 1.00 50.45 N ATOM 871 CA LEU A 56 -0.825 -3.347 1.222 1.00 74.21 C ATOM 872 C LEU A 56 -0.586 -4.576 2.091 1.00 12.44 C ATOM 873 O LEU A 56 -0.449 -5.692 1.588 1.00 44.31 O ATOM 874 CB LEU A 56 0.457 -2.515 1.149 1.00 5.01 C ATOM 875 CG LEU A 56 0.445 -1.371 0.133 1.00 72.00 C ATOM 876 CD1 LEU A 56 1.669 -0.486 0.314 1.00 4.21 C ATOM 877 CD2 LEU A 56 0.402 -1.918 -1.285 1.00 23.33 C ATOM 0 H LEU A 56 -1.654 -1.597 2.020 1.00 50.45 H new ATOM 0 HA LEU A 56 -1.100 -3.669 0.218 1.00 74.21 H new ATOM 0 HB2 LEU A 56 0.655 -2.098 2.136 1.00 5.01 H new ATOM 0 HB3 LEU A 56 1.287 -3.180 0.911 1.00 5.01 H new ATOM 0 HG LEU A 56 -0.449 -0.772 0.304 1.00 72.00 H new ATOM 0 HD11 LEU A 56 1.645 0.323 -0.417 1.00 4.21 H new ATOM 0 HD12 LEU A 56 1.669 -0.066 1.320 1.00 4.21 H new ATOM 0 HD13 LEU A 56 2.572 -1.079 0.169 1.00 4.21 H new ATOM 0 HD21 LEU A 56 0.394 -1.090 -1.994 1.00 23.33 H new ATOM 0 HD22 LEU A 56 1.280 -2.539 -1.462 1.00 23.33 H new ATOM 0 HD23 LEU A 56 -0.499 -2.517 -1.417 1.00 23.33 H new ATOM 889 N ARG A 57 -0.546 -4.359 3.400 1.00 12.54 N ATOM 890 CA ARG A 57 -0.304 -5.434 4.358 1.00 20.31 C ATOM 891 C ARG A 57 -1.395 -6.497 4.286 1.00 42.04 C ATOM 892 O ARG A 57 -1.109 -7.695 4.333 1.00 63.01 O ATOM 893 CB ARG A 57 -0.191 -4.866 5.773 1.00 3.13 C ATOM 894 CG ARG A 57 1.099 -4.096 6.002 1.00 60.21 C ATOM 895 CD ARG A 57 1.155 -3.473 7.387 1.00 10.23 C ATOM 896 NE ARG A 57 2.500 -3.003 7.712 1.00 72.33 N ATOM 897 CZ ARG A 57 2.775 -2.096 8.649 1.00 1.25 C ATOM 898 NH1 ARG A 57 1.795 -1.478 9.300 1.00 21.22 N ATOM 899 NH2 ARG A 57 4.039 -1.794 8.917 1.00 43.33 N ATOM 0 H ARG A 57 -0.679 -3.442 3.826 1.00 12.54 H new ATOM 0 HA ARG A 57 0.640 -5.914 4.098 1.00 20.31 H new ATOM 0 HB2 ARG A 57 -1.039 -4.208 5.963 1.00 3.13 H new ATOM 0 HB3 ARG A 57 -0.253 -5.682 6.492 1.00 3.13 H new ATOM 0 HG2 ARG A 57 1.949 -4.766 5.872 1.00 60.21 H new ATOM 0 HG3 ARG A 57 1.192 -3.313 5.249 1.00 60.21 H new ATOM 0 HD2 ARG A 57 0.455 -2.639 7.440 1.00 10.23 H new ATOM 0 HD3 ARG A 57 0.836 -4.205 8.129 1.00 10.23 H new ATOM 0 HE ARG A 57 3.281 -3.396 7.186 1.00 72.33 H new ATOM 0 HH11 ARG A 57 0.822 -1.696 9.084 1.00 21.22 H new ATOM 0 HH12 ARG A 57 2.016 -0.785 10.016 1.00 21.22 H new ATOM 0 HH21 ARG A 57 4.793 -2.255 8.407 1.00 43.33 H new ATOM 0 HH22 ARG A 57 4.257 -1.101 9.633 1.00 43.33 H new ATOM 913 N ALA A 58 -2.638 -6.057 4.147 1.00 52.25 N ATOM 914 CA ALA A 58 -3.768 -6.970 4.032 1.00 33.45 C ATOM 915 C ALA A 58 -3.684 -7.786 2.745 1.00 53.41 C ATOM 916 O ALA A 58 -4.092 -8.947 2.708 1.00 20.23 O ATOM 917 CB ALA A 58 -5.077 -6.200 4.087 1.00 22.03 C ATOM 0 H ALA A 58 -2.890 -5.069 4.111 1.00 52.25 H new ATOM 0 HA ALA A 58 -3.732 -7.662 4.874 1.00 33.45 H new ATOM 0 HB1 ALA A 58 -5.912 -6.895 4.000 1.00 22.03 H new ATOM 0 HB2 ALA A 58 -5.146 -5.667 5.035 1.00 22.03 H new ATOM 0 HB3 ALA A 58 -5.113 -5.485 3.265 1.00 22.03 H new ATOM 923 N TYR A 59 -3.153 -7.174 1.689 1.00 51.23 N ATOM 924 CA TYR A 59 -2.979 -7.861 0.414 1.00 12.33 C ATOM 925 C TYR A 59 -1.846 -8.875 0.504 1.00 40.00 C ATOM 926 O TYR A 59 -1.961 -9.991 0.005 1.00 64.01 O ATOM 927 CB TYR A 59 -2.694 -6.854 -0.702 1.00 61.51 C ATOM 928 CG TYR A 59 -2.632 -7.463 -2.088 1.00 73.42 C ATOM 929 CD1 TYR A 59 -3.781 -7.935 -2.711 1.00 41.33 C ATOM 930 CD2 TYR A 59 -1.425 -7.569 -2.771 1.00 0.51 C ATOM 931 CE1 TYR A 59 -3.732 -8.489 -3.977 1.00 32.44 C ATOM 932 CE2 TYR A 59 -1.369 -8.120 -4.038 1.00 20.44 C ATOM 933 CZ TYR A 59 -2.522 -8.584 -4.635 1.00 14.01 C ATOM 934 OH TYR A 59 -2.467 -9.134 -5.897 1.00 21.44 O ATOM 0 H TYR A 59 -2.836 -6.204 1.692 1.00 51.23 H new ATOM 0 HA TYR A 59 -3.904 -8.389 0.182 1.00 12.33 H new ATOM 0 HB2 TYR A 59 -3.467 -6.086 -0.689 1.00 61.51 H new ATOM 0 HB3 TYR A 59 -1.747 -6.356 -0.494 1.00 61.51 H new ATOM 0 HD1 TYR A 59 -4.729 -7.868 -2.197 1.00 41.33 H new ATOM 0 HD2 TYR A 59 -0.517 -7.215 -2.304 1.00 0.51 H new ATOM 0 HE1 TYR A 59 -4.636 -8.846 -4.449 1.00 32.44 H new ATOM 0 HE2 TYR A 59 -0.425 -8.187 -4.558 1.00 20.44 H new ATOM 0 HH TYR A 59 -1.541 -9.125 -6.218 1.00 21.44 H new ATOM 944 N GLN A 60 -0.758 -8.481 1.154 1.00 73.14 N ATOM 945 CA GLN A 60 0.395 -9.358 1.309 1.00 23.42 C ATOM 946 C GLN A 60 0.020 -10.561 2.172 1.00 54.50 C ATOM 947 O GLN A 60 0.492 -11.675 1.949 1.00 14.44 O ATOM 948 CB GLN A 60 1.569 -8.580 1.919 1.00 63.13 C ATOM 949 CG GLN A 60 2.932 -9.211 1.664 1.00 41.31 C ATOM 950 CD GLN A 60 3.214 -10.407 2.549 1.00 3.31 C ATOM 951 OE1 GLN A 60 2.769 -10.465 3.693 1.00 51.41 O ATOM 952 NE2 GLN A 60 3.939 -11.375 2.017 1.00 20.43 N ATOM 0 H GLN A 60 -0.650 -7.561 1.582 1.00 73.14 H new ATOM 0 HA GLN A 60 0.706 -9.725 0.331 1.00 23.42 H new ATOM 0 HB2 GLN A 60 1.568 -7.567 1.516 1.00 63.13 H new ATOM 0 HB3 GLN A 60 1.415 -8.495 2.995 1.00 63.13 H new ATOM 0 HG2 GLN A 60 2.993 -9.518 0.620 1.00 41.31 H new ATOM 0 HG3 GLN A 60 3.707 -8.461 1.821 1.00 41.31 H new ATOM 0 HE21 GLN A 60 4.288 -11.285 1.063 1.00 20.43 H new ATOM 0 HE22 GLN A 60 4.149 -12.212 2.560 1.00 20.43 H new ATOM 961 N ASP A 61 -0.854 -10.329 3.141 1.00 63.32 N ATOM 962 CA ASP A 61 -1.342 -11.391 4.013 1.00 55.41 C ATOM 963 C ASP A 61 -2.050 -12.475 3.202 1.00 2.42 C ATOM 964 O ASP A 61 -1.817 -13.668 3.402 1.00 51.13 O ATOM 965 CB ASP A 61 -2.292 -10.813 5.064 1.00 51.34 C ATOM 966 CG ASP A 61 -2.858 -11.870 5.990 1.00 64.42 C ATOM 967 OD1 ASP A 61 -2.161 -12.253 6.955 1.00 64.33 O ATOM 968 OD2 ASP A 61 -4.006 -12.310 5.768 1.00 34.31 O ATOM 0 H ASP A 61 -1.243 -9.408 3.345 1.00 63.32 H new ATOM 0 HA ASP A 61 -0.488 -11.843 4.517 1.00 55.41 H new ATOM 0 HB2 ASP A 61 -1.762 -10.066 5.654 1.00 51.34 H new ATOM 0 HB3 ASP A 61 -3.112 -10.299 4.562 1.00 51.34 H new ATOM 973 N GLN A 62 -2.874 -12.048 2.254 1.00 3.42 N ATOM 974 CA GLN A 62 -3.660 -12.972 1.442 1.00 12.21 C ATOM 975 C GLN A 62 -2.871 -13.476 0.231 1.00 24.34 C ATOM 976 O GLN A 62 -3.423 -14.151 -0.640 1.00 64.11 O ATOM 977 CB GLN A 62 -4.966 -12.309 0.994 1.00 44.21 C ATOM 978 CG GLN A 62 -4.766 -11.044 0.180 1.00 52.23 C ATOM 979 CD GLN A 62 -6.049 -10.268 -0.026 1.00 10.41 C ATOM 980 OE1 GLN A 62 -6.766 -10.467 -1.007 1.00 55.05 O ATOM 981 NE2 GLN A 62 -6.348 -9.372 0.903 1.00 4.20 N ATOM 0 H GLN A 62 -3.017 -11.064 2.027 1.00 3.42 H new ATOM 0 HA GLN A 62 -3.896 -13.837 2.061 1.00 12.21 H new ATOM 0 HB2 GLN A 62 -5.540 -13.023 0.403 1.00 44.21 H new ATOM 0 HB3 GLN A 62 -5.562 -12.072 1.875 1.00 44.21 H new ATOM 0 HG2 GLN A 62 -4.038 -10.406 0.682 1.00 52.23 H new ATOM 0 HG3 GLN A 62 -4.345 -11.305 -0.791 1.00 52.23 H new ATOM 0 HE21 GLN A 62 -5.727 -9.238 1.701 1.00 4.20 H new ATOM 0 HE22 GLN A 62 -7.199 -8.816 0.820 1.00 4.20 H new ATOM 990 N ILE A 63 -1.581 -13.154 0.183 1.00 62.12 N ATOM 991 CA ILE A 63 -0.705 -13.673 -0.864 1.00 3.52 C ATOM 992 C ILE A 63 -0.409 -15.150 -0.613 1.00 35.44 C ATOM 993 O ILE A 63 -0.228 -15.932 -1.548 1.00 12.14 O ATOM 994 CB ILE A 63 0.625 -12.877 -0.950 1.00 11.04 C ATOM 995 CG1 ILE A 63 0.365 -11.451 -1.444 1.00 12.02 C ATOM 996 CG2 ILE A 63 1.637 -13.574 -1.855 1.00 1.20 C ATOM 997 CD1 ILE A 63 -0.293 -11.386 -2.806 1.00 50.45 C ATOM 0 H ILE A 63 -1.120 -12.539 0.854 1.00 62.12 H new ATOM 0 HA ILE A 63 -1.224 -13.559 -1.816 1.00 3.52 H new ATOM 0 HB ILE A 63 1.049 -12.832 0.053 1.00 11.04 H new ATOM 0 HG12 ILE A 63 -0.267 -10.936 -0.721 1.00 12.02 H new ATOM 0 HG13 ILE A 63 1.311 -10.912 -1.482 1.00 12.02 H new ATOM 0 HG21 ILE A 63 2.556 -12.989 -1.892 1.00 1.20 H new ATOM 0 HG22 ILE A 63 1.854 -14.567 -1.461 1.00 1.20 H new ATOM 0 HG23 ILE A 63 1.224 -13.665 -2.860 1.00 1.20 H new ATOM 0 HD11 ILE A 63 -0.445 -10.344 -3.087 1.00 50.45 H new ATOM 0 HD12 ILE A 63 0.347 -11.871 -3.543 1.00 50.45 H new ATOM 0 HD13 ILE A 63 -1.256 -11.896 -2.770 1.00 50.45 H new ATOM 1009 N SER A 64 -0.384 -15.530 0.655 1.00 30.25 N ATOM 1010 CA SER A 64 -0.142 -16.912 1.027 1.00 14.33 C ATOM 1011 C SER A 64 -1.415 -17.553 1.571 1.00 3.30 C ATOM 1012 O SER A 64 -1.794 -17.318 2.721 1.00 45.03 O ATOM 1013 CB SER A 64 0.970 -16.989 2.074 1.00 22.03 C ATOM 1014 OG SER A 64 2.161 -16.368 1.610 1.00 45.00 O ATOM 0 H SER A 64 -0.529 -14.899 1.443 1.00 30.25 H new ATOM 0 HA SER A 64 0.169 -17.458 0.137 1.00 14.33 H new ATOM 0 HB2 SER A 64 0.640 -16.506 2.994 1.00 22.03 H new ATOM 0 HB3 SER A 64 1.172 -18.032 2.317 1.00 22.03 H new ATOM 0 HG SER A 64 2.853 -16.431 2.301 1.00 45.00 H new ATOM 1020 N PRO A 65 -2.114 -18.339 0.741 1.00 12.25 N ATOM 1021 CA PRO A 65 -3.295 -19.078 1.180 1.00 45.14 C ATOM 1022 C PRO A 65 -2.906 -20.244 2.083 1.00 14.21 C ATOM 1023 O PRO A 65 -2.387 -21.262 1.617 1.00 71.41 O ATOM 1024 CB PRO A 65 -3.913 -19.578 -0.126 1.00 72.23 C ATOM 1025 CG PRO A 65 -2.775 -19.647 -1.086 1.00 31.31 C ATOM 1026 CD PRO A 65 -1.814 -18.562 -0.684 1.00 10.55 C ATOM 0 HA PRO A 65 -3.982 -18.468 1.766 1.00 45.14 H new ATOM 0 HB2 PRO A 65 -4.379 -20.555 0.006 1.00 72.23 H new ATOM 0 HB3 PRO A 65 -4.689 -18.900 -0.481 1.00 72.23 H new ATOM 0 HG2 PRO A 65 -2.294 -20.625 -1.049 1.00 31.31 H new ATOM 0 HG3 PRO A 65 -3.121 -19.500 -2.109 1.00 31.31 H new ATOM 0 HD2 PRO A 65 -0.779 -18.869 -0.832 1.00 10.55 H new ATOM 0 HD3 PRO A 65 -1.965 -17.656 -1.271 1.00 10.55 H new ATOM 1034 N VAL A 66 -3.135 -20.089 3.375 1.00 73.21 N ATOM 1035 CA VAL A 66 -2.711 -21.086 4.343 1.00 63.03 C ATOM 1036 C VAL A 66 -3.773 -22.165 4.522 1.00 55.23 C ATOM 1037 O VAL A 66 -4.972 -21.874 4.534 1.00 34.21 O ATOM 1038 CB VAL A 66 -2.377 -20.450 5.713 1.00 72.15 C ATOM 1039 CG1 VAL A 66 -1.153 -19.553 5.601 1.00 55.42 C ATOM 1040 CG2 VAL A 66 -3.562 -19.668 6.262 1.00 3.31 C ATOM 0 H VAL A 66 -3.612 -19.283 3.778 1.00 73.21 H new ATOM 0 HA VAL A 66 -1.804 -21.543 3.948 1.00 63.03 H new ATOM 0 HB VAL A 66 -2.155 -21.257 6.411 1.00 72.15 H new ATOM 0 HG11 VAL A 66 -0.933 -19.114 6.574 1.00 55.42 H new ATOM 0 HG12 VAL A 66 -0.299 -20.143 5.267 1.00 55.42 H new ATOM 0 HG13 VAL A 66 -1.349 -18.759 4.881 1.00 55.42 H new ATOM 0 HG21 VAL A 66 -3.296 -19.233 7.225 1.00 3.31 H new ATOM 0 HG22 VAL A 66 -3.827 -18.872 5.566 1.00 3.31 H new ATOM 0 HG23 VAL A 66 -4.413 -20.338 6.389 1.00 3.31 H new ATOM 1050 N PRO A 67 -3.346 -23.430 4.615 1.00 10.34 N ATOM 1051 CA PRO A 67 -4.241 -24.544 4.924 1.00 12.23 C ATOM 1052 C PRO A 67 -4.838 -24.393 6.318 1.00 13.31 C ATOM 1053 O PRO A 67 -4.148 -23.995 7.260 1.00 31.42 O ATOM 1054 CB PRO A 67 -3.337 -25.781 4.850 1.00 64.24 C ATOM 1055 CG PRO A 67 -2.133 -25.335 4.092 1.00 44.43 C ATOM 1056 CD PRO A 67 -1.963 -23.877 4.407 1.00 54.52 C ATOM 0 HA PRO A 67 -5.087 -24.601 4.239 1.00 12.23 H new ATOM 0 HB2 PRO A 67 -3.068 -26.133 5.846 1.00 64.24 H new ATOM 0 HB3 PRO A 67 -3.838 -26.606 4.344 1.00 64.24 H new ATOM 0 HG2 PRO A 67 -1.252 -25.904 4.389 1.00 44.43 H new ATOM 0 HG3 PRO A 67 -2.266 -25.490 3.021 1.00 44.43 H new ATOM 0 HD2 PRO A 67 -1.350 -23.723 5.295 1.00 54.52 H new ATOM 0 HD3 PRO A 67 -1.482 -23.339 3.590 1.00 54.52 H new ATOM 1064 N GLY A 68 -6.120 -24.684 6.440 1.00 55.31 N ATOM 1065 CA GLY A 68 -6.807 -24.472 7.695 1.00 33.32 C ATOM 1066 C GLY A 68 -7.303 -23.048 7.818 1.00 72.22 C ATOM 1067 O GLY A 68 -8.513 -22.808 7.816 1.00 43.13 O ATOM 0 H GLY A 68 -6.700 -25.064 5.692 1.00 55.31 H new ATOM 0 HA2 GLY A 68 -7.649 -25.160 7.772 1.00 33.32 H new ATOM 0 HA3 GLY A 68 -6.134 -24.698 8.523 1.00 33.32 H new ATOM 1071 N ALA A 69 -6.354 -22.108 7.917 1.00 14.53 N ATOM 1072 CA ALA A 69 -6.654 -20.674 7.985 1.00 73.42 C ATOM 1073 C ALA A 69 -7.452 -20.330 9.248 1.00 72.01 C ATOM 1074 O ALA A 69 -7.876 -21.224 9.982 1.00 15.14 O ATOM 1075 CB ALA A 69 -7.396 -20.235 6.725 1.00 13.41 C ATOM 0 H ALA A 69 -5.357 -22.321 7.952 1.00 14.53 H new ATOM 0 HA ALA A 69 -5.713 -20.127 8.041 1.00 73.42 H new ATOM 0 HB1 ALA A 69 -7.615 -19.169 6.784 1.00 13.41 H new ATOM 0 HB2 ALA A 69 -6.775 -20.430 5.851 1.00 13.41 H new ATOM 0 HB3 ALA A 69 -8.329 -20.792 6.639 1.00 13.41 H new ATOM 1081 N PRO A 70 -7.624 -19.034 9.562 1.00 43.21 N ATOM 1082 CA PRO A 70 -8.492 -18.612 10.660 1.00 62.44 C ATOM 1083 C PRO A 70 -9.965 -18.800 10.301 1.00 52.41 C ATOM 1084 O PRO A 70 -10.652 -17.839 9.952 1.00 33.24 O ATOM 1085 CB PRO A 70 -8.166 -17.120 10.848 1.00 20.52 C ATOM 1086 CG PRO A 70 -6.955 -16.859 10.013 1.00 62.21 C ATOM 1087 CD PRO A 70 -6.971 -17.886 8.918 1.00 33.34 C ATOM 0 HA PRO A 70 -8.326 -19.196 11.565 1.00 62.44 H new ATOM 0 HB2 PRO A 70 -9.001 -16.495 10.532 1.00 20.52 H new ATOM 0 HB3 PRO A 70 -7.975 -16.891 11.896 1.00 20.52 H new ATOM 0 HG2 PRO A 70 -6.977 -15.850 9.601 1.00 62.21 H new ATOM 0 HG3 PRO A 70 -6.046 -16.940 10.609 1.00 62.21 H new ATOM 0 HD2 PRO A 70 -7.527 -17.540 8.047 1.00 33.34 H new ATOM 0 HD3 PRO A 70 -5.965 -18.131 8.578 1.00 33.34 H new ATOM 1095 N LYS A 71 -10.420 -20.052 10.367 1.00 62.32 N ATOM 1096 CA LYS A 71 -11.777 -20.428 9.982 1.00 13.53 C ATOM 1097 C LYS A 71 -12.053 -20.018 8.533 1.00 11.11 C ATOM 1098 O LYS A 71 -12.629 -18.961 8.264 1.00 74.14 O ATOM 1099 CB LYS A 71 -12.806 -19.825 10.954 1.00 72.35 C ATOM 1100 CG LYS A 71 -14.192 -20.459 10.878 1.00 30.24 C ATOM 1101 CD LYS A 71 -15.081 -19.786 9.844 1.00 70.42 C ATOM 1102 CE LYS A 71 -15.418 -18.357 10.245 1.00 64.24 C ATOM 1103 NZ LYS A 71 -16.200 -18.301 11.511 1.00 61.20 N ATOM 0 H LYS A 71 -9.853 -20.836 10.691 1.00 62.32 H new ATOM 0 HA LYS A 71 -11.872 -21.512 10.042 1.00 13.53 H new ATOM 0 HB2 LYS A 71 -12.429 -19.926 11.972 1.00 72.35 H new ATOM 0 HB3 LYS A 71 -12.896 -18.758 10.752 1.00 72.35 H new ATOM 0 HG2 LYS A 71 -14.092 -21.517 10.634 1.00 30.24 H new ATOM 0 HG3 LYS A 71 -14.669 -20.401 11.856 1.00 30.24 H new ATOM 0 HD2 LYS A 71 -14.579 -19.785 8.876 1.00 70.42 H new ATOM 0 HD3 LYS A 71 -16.001 -20.359 9.725 1.00 70.42 H new ATOM 0 HE2 LYS A 71 -14.496 -17.787 10.363 1.00 64.24 H new ATOM 0 HE3 LYS A 71 -15.987 -17.881 9.446 1.00 64.24 H new ATOM 0 HZ1 LYS A 71 -16.623 -17.357 11.616 1.00 61.20 H new ATOM 0 HZ2 LYS A 71 -16.954 -19.017 11.485 1.00 61.20 H new ATOM 0 HZ3 LYS A 71 -15.570 -18.490 12.317 1.00 61.20 H new ATOM 1117 N ALA A 72 -11.596 -20.844 7.603 1.00 11.05 N ATOM 1118 CA ALA A 72 -11.762 -20.579 6.181 1.00 31.12 C ATOM 1119 C ALA A 72 -11.524 -21.853 5.377 1.00 35.15 C ATOM 1120 O ALA A 72 -10.944 -22.807 5.894 1.00 12.45 O ATOM 1121 CB ALA A 72 -10.799 -19.483 5.733 1.00 13.13 C ATOM 0 H ALA A 72 -11.102 -21.712 7.811 1.00 11.05 H new ATOM 0 HA ALA A 72 -12.783 -20.240 6.004 1.00 31.12 H new ATOM 0 HB1 ALA A 72 -10.933 -19.294 4.668 1.00 13.13 H new ATOM 0 HB2 ALA A 72 -11.002 -18.569 6.292 1.00 13.13 H new ATOM 0 HB3 ALA A 72 -9.773 -19.802 5.919 1.00 13.13 H new ATOM 1127 N PRO A 73 -11.999 -21.904 4.122 1.00 13.12 N ATOM 1128 CA PRO A 73 -11.725 -23.027 3.220 1.00 43.33 C ATOM 1129 C PRO A 73 -10.233 -23.157 2.909 1.00 64.01 C ATOM 1130 O PRO A 73 -9.507 -22.161 2.849 1.00 13.23 O ATOM 1131 CB PRO A 73 -12.507 -22.675 1.948 1.00 5.41 C ATOM 1132 CG PRO A 73 -13.509 -21.656 2.374 1.00 4.02 C ATOM 1133 CD PRO A 73 -12.860 -20.891 3.490 1.00 31.24 C ATOM 0 HA PRO A 73 -12.017 -23.982 3.658 1.00 43.33 H new ATOM 0 HB2 PRO A 73 -11.846 -22.279 1.177 1.00 5.41 H new ATOM 0 HB3 PRO A 73 -12.994 -23.555 1.529 1.00 5.41 H new ATOM 0 HG2 PRO A 73 -13.772 -20.996 1.548 1.00 4.02 H new ATOM 0 HG3 PRO A 73 -14.432 -22.130 2.709 1.00 4.02 H new ATOM 0 HD2 PRO A 73 -12.283 -20.045 3.118 1.00 31.24 H new ATOM 0 HD3 PRO A 73 -13.596 -20.493 4.189 1.00 31.24 H new ATOM 1141 N ALA A 74 -9.778 -24.385 2.716 1.00 11.42 N ATOM 1142 CA ALA A 74 -8.373 -24.640 2.448 1.00 75.14 C ATOM 1143 C ALA A 74 -8.200 -25.432 1.159 1.00 54.13 C ATOM 1144 O ALA A 74 -9.112 -26.141 0.728 1.00 54.32 O ATOM 1145 CB ALA A 74 -7.745 -25.382 3.616 1.00 13.11 C ATOM 0 H ALA A 74 -10.362 -25.221 2.740 1.00 11.42 H new ATOM 0 HA ALA A 74 -7.867 -23.682 2.325 1.00 75.14 H new ATOM 0 HB1 ALA A 74 -6.692 -25.568 3.405 1.00 13.11 H new ATOM 0 HB2 ALA A 74 -7.833 -24.779 4.520 1.00 13.11 H new ATOM 0 HB3 ALA A 74 -8.259 -26.332 3.762 1.00 13.11 H new ATOM 1151 N ALA A 75 -7.035 -25.303 0.548 1.00 54.40 N ATOM 1152 CA ALA A 75 -6.729 -26.030 -0.671 1.00 21.50 C ATOM 1153 C ALA A 75 -5.914 -27.272 -0.347 1.00 31.53 C ATOM 1154 O ALA A 75 -6.518 -28.357 -0.184 1.00 37.15 O ATOM 1155 CB ALA A 75 -5.983 -25.136 -1.651 1.00 45.34 C ATOM 1156 OXT ALA A 75 -4.677 -27.161 -0.236 1.00 37.15 O ATOM 0 H ALA A 75 -6.283 -24.699 0.878 1.00 54.40 H new ATOM 0 HA ALA A 75 -7.663 -26.341 -1.139 1.00 21.50 H new ATOM 0 HB1 ALA A 75 -5.762 -25.697 -2.559 1.00 45.34 H new ATOM 0 HB2 ALA A 75 -6.601 -24.273 -1.899 1.00 45.34 H new ATOM 0 HB3 ALA A 75 -5.051 -24.797 -1.198 1.00 45.34 H new TER 1162 ALA A 75