USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 746 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 53 GLN : amide:sc= 1.04 K(o=1.9,f=0) USER MOD Set 1.2: A 56 GLN : amide:sc= 0.896 K(o=1.9,f=-0.68) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0336 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 6 HIS : no HD1:sc=-0.00122 X(o=-0.0012,f=-0.0012) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0871 X(o=-0.087,f=-0.087) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 1.92 K(o=1.9,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 0.758 (180deg=0.732) USER MOD Single : A 92 LYS NZ :NH3+ -128:sc= 0.00589 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -128:sc= -2.79! (180deg=-5.52!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.291 K(o=-0.29,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 141.900 50.335-102.829 1.00 0.00 N ATOM 2 CA MET A 1 141.266 50.209-101.478 1.00 0.00 C ATOM 3 C MET A 1 140.176 49.122-101.479 1.00 0.00 C ATOM 4 O MET A 1 139.599 48.827-102.527 1.00 0.00 O ATOM 5 CB MET A 1 140.686 51.552-100.963 1.00 0.00 C ATOM 6 CG MET A 1 141.742 52.637-100.696 1.00 0.00 C ATOM 7 SD MET A 1 143.034 52.180 -99.503 1.00 0.00 S ATOM 8 CE MET A 1 144.002 53.716 -99.492 1.00 0.00 C ATOM 0 H1 MET A 1 142.875 49.976-102.790 1.00 0.00 H new ATOM 0 H2 MET A 1 141.355 49.782-103.521 1.00 0.00 H new ATOM 0 H3 MET A 1 141.910 51.335-103.116 1.00 0.00 H new ATOM 0 HA MET A 1 142.059 49.915-100.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 139.971 51.930-101.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 140.133 51.366-100.043 1.00 0.00 H new ATOM 0 HG2 MET A 1 142.218 52.899-101.641 1.00 0.00 H new ATOM 0 HG3 MET A 1 141.237 53.533-100.335 1.00 0.00 H new ATOM 0 HE1 MET A 1 144.843 53.611 -98.806 1.00 0.00 H new ATOM 0 HE2 MET A 1 144.376 53.918-100.496 1.00 0.00 H new ATOM 0 HE3 MET A 1 143.370 54.542 -99.167 1.00 0.00 H new ATOM 20 N ARG A 2 139.898 48.514-100.313 1.00 0.00 N ATOM 21 CA ARG A 2 138.915 47.420-100.119 1.00 0.00 C ATOM 22 C ARG A 2 138.033 47.637 -98.875 1.00 0.00 C ATOM 23 O ARG A 2 138.365 48.438 -97.998 1.00 0.00 O ATOM 24 CB ARG A 2 139.654 46.066-100.010 1.00 0.00 C ATOM 25 CG ARG A 2 140.360 45.640-101.310 1.00 0.00 C ATOM 26 CD ARG A 2 140.990 44.245-101.190 1.00 0.00 C ATOM 27 NE ARG A 2 139.968 43.181-101.085 1.00 0.00 N ATOM 28 CZ ARG A 2 140.152 41.942-100.657 1.00 0.00 C ATOM 29 NH1 ARG A 2 141.319 41.504-100.275 1.00 0.00 N ATOM 30 NH2 ARG A 2 139.153 41.108-100.608 1.00 0.00 N ATOM 0 H ARG A 2 140.365 48.776 -99.445 1.00 0.00 H new ATOM 0 HA ARG A 2 138.256 47.417-100.987 1.00 0.00 H new ATOM 0 HB2 ARG A 2 140.392 46.128 -99.210 1.00 0.00 H new ATOM 0 HB3 ARG A 2 138.939 45.294 -99.725 1.00 0.00 H new ATOM 0 HG2 ARG A 2 139.643 45.645-102.131 1.00 0.00 H new ATOM 0 HG3 ARG A 2 141.133 46.367-101.558 1.00 0.00 H new ATOM 0 HD2 ARG A 2 141.621 44.057-102.059 1.00 0.00 H new ATOM 0 HD3 ARG A 2 141.637 44.214-100.313 1.00 0.00 H new ATOM 0 HE ARG A 2 139.021 43.428-101.373 1.00 0.00 H new ATOM 0 HH11 ARG A 2 142.129 42.123-100.300 1.00 0.00 H new ATOM 0 HH12 ARG A 2 141.422 40.542 -99.951 1.00 0.00 H new ATOM 0 HH21 ARG A 2 138.223 41.408-100.900 1.00 0.00 H new ATOM 0 HH22 ARG A 2 139.300 40.154-100.277 1.00 0.00 H new ATOM 44 N GLY A 3 136.941 46.871 -98.789 1.00 0.00 N ATOM 45 CA GLY A 3 136.056 46.766 -97.619 1.00 0.00 C ATOM 46 C GLY A 3 134.723 47.512 -97.776 1.00 0.00 C ATOM 47 O GLY A 3 134.694 48.741 -97.894 1.00 0.00 O ATOM 0 H GLY A 3 136.635 46.282 -99.563 1.00 0.00 H new ATOM 0 HA2 GLY A 3 135.851 45.713 -97.425 1.00 0.00 H new ATOM 0 HA3 GLY A 3 136.578 47.156 -96.745 1.00 0.00 H new ATOM 51 N SER A 4 133.620 46.760 -97.746 1.00 0.00 N ATOM 52 CA SER A 4 132.227 47.243 -97.733 1.00 0.00 C ATOM 53 C SER A 4 131.274 46.177 -97.159 1.00 0.00 C ATOM 54 O SER A 4 131.590 44.982 -97.163 1.00 0.00 O ATOM 55 CB SER A 4 131.776 47.650 -99.147 1.00 0.00 C ATOM 56 OG SER A 4 131.853 46.563-100.063 1.00 0.00 O ATOM 0 H SER A 4 133.672 45.741 -97.729 1.00 0.00 H new ATOM 0 HA SER A 4 132.188 48.121 -97.088 1.00 0.00 H new ATOM 0 HB2 SER A 4 130.752 48.020 -99.109 1.00 0.00 H new ATOM 0 HB3 SER A 4 132.398 48.470 -99.504 1.00 0.00 H new ATOM 0 HG SER A 4 131.557 46.860-100.949 1.00 0.00 H new ATOM 62 N HIS A 5 130.108 46.595 -96.647 1.00 0.00 N ATOM 63 CA HIS A 5 129.076 45.698 -96.096 1.00 0.00 C ATOM 64 C HIS A 5 127.661 46.288 -96.222 1.00 0.00 C ATOM 65 O HIS A 5 127.438 47.451 -95.875 1.00 0.00 O ATOM 66 CB HIS A 5 129.393 45.399 -94.621 1.00 0.00 C ATOM 67 CG HIS A 5 128.401 44.460 -93.976 1.00 0.00 C ATOM 68 ND1 HIS A 5 127.295 44.844 -93.210 1.00 0.00 N ATOM 69 CD2 HIS A 5 128.423 43.099 -94.068 1.00 0.00 C ATOM 70 CE1 HIS A 5 126.681 43.703 -92.851 1.00 0.00 C ATOM 71 NE2 HIS A 5 127.337 42.640 -93.353 1.00 0.00 N ATOM 0 H HIS A 5 129.849 47.581 -96.602 1.00 0.00 H new ATOM 0 HA HIS A 5 129.092 44.776 -96.678 1.00 0.00 H new ATOM 0 HB2 HIS A 5 130.391 44.966 -94.551 1.00 0.00 H new ATOM 0 HB3 HIS A 5 129.412 46.335 -94.063 1.00 0.00 H new ATOM 0 HD2 HIS A 5 129.149 42.499 -94.597 1.00 0.00 H new ATOM 0 HE1 HIS A 5 125.788 43.647 -92.246 1.00 0.00 H new ATOM 0 HE2 HIS A 5 127.075 41.662 -93.226 1.00 0.00 H new ATOM 79 N HIS A 6 126.707 45.470 -96.688 1.00 0.00 N ATOM 80 CA HIS A 6 125.275 45.800 -96.795 1.00 0.00 C ATOM 81 C HIS A 6 124.411 44.552 -96.532 1.00 0.00 C ATOM 82 O HIS A 6 124.182 43.747 -97.440 1.00 0.00 O ATOM 83 CB HIS A 6 124.972 46.380 -98.192 1.00 0.00 C ATOM 84 CG HIS A 6 125.576 47.739 -98.462 1.00 0.00 C ATOM 85 ND1 HIS A 6 125.035 48.965 -98.057 1.00 0.00 N ATOM 86 CD2 HIS A 6 126.715 47.973 -99.180 1.00 0.00 C ATOM 87 CE1 HIS A 6 125.871 49.908 -98.529 1.00 0.00 C ATOM 88 NE2 HIS A 6 126.885 49.341 -99.206 1.00 0.00 N ATOM 0 H HIS A 6 126.917 44.526 -97.013 1.00 0.00 H new ATOM 0 HA HIS A 6 125.031 46.549 -96.042 1.00 0.00 H new ATOM 0 HB2 HIS A 6 125.335 45.681 -98.946 1.00 0.00 H new ATOM 0 HB3 HIS A 6 123.891 46.448 -98.314 1.00 0.00 H new ATOM 0 HD2 HIS A 6 127.355 47.233 -99.637 1.00 0.00 H new ATOM 0 HE1 HIS A 6 125.745 50.971 -98.384 1.00 0.00 H new ATOM 0 HE2 HIS A 6 127.650 49.838 -99.661 1.00 0.00 H new ATOM 96 N HIS A 7 123.927 44.379 -95.295 1.00 0.00 N ATOM 97 CA HIS A 7 122.974 43.316 -94.924 1.00 0.00 C ATOM 98 C HIS A 7 122.096 43.715 -93.724 1.00 0.00 C ATOM 99 O HIS A 7 122.603 44.224 -92.719 1.00 0.00 O ATOM 100 CB HIS A 7 123.728 42.013 -94.613 1.00 0.00 C ATOM 101 CG HIS A 7 122.804 40.854 -94.320 1.00 0.00 C ATOM 102 ND1 HIS A 7 122.412 40.425 -93.048 1.00 0.00 N ATOM 103 CD2 HIS A 7 122.174 40.089 -95.258 1.00 0.00 C ATOM 104 CE1 HIS A 7 121.557 39.407 -93.251 1.00 0.00 C ATOM 105 NE2 HIS A 7 121.397 39.184 -94.567 1.00 0.00 N ATOM 0 H HIS A 7 124.187 44.979 -94.512 1.00 0.00 H new ATOM 0 HA HIS A 7 122.313 43.162 -95.777 1.00 0.00 H new ATOM 0 HB2 HIS A 7 124.366 41.758 -95.459 1.00 0.00 H new ATOM 0 HB3 HIS A 7 124.383 42.174 -93.757 1.00 0.00 H new ATOM 0 HD2 HIS A 7 122.266 40.176 -96.331 1.00 0.00 H new ATOM 0 HE1 HIS A 7 121.068 38.848 -92.467 1.00 0.00 H new ATOM 0 HE2 HIS A 7 120.802 38.467 -94.983 1.00 0.00 H new ATOM 113 N HIS A 8 120.787 43.448 -93.824 1.00 0.00 N ATOM 114 CA HIS A 8 119.771 43.703 -92.789 1.00 0.00 C ATOM 115 C HIS A 8 118.657 42.637 -92.824 1.00 0.00 C ATOM 116 O HIS A 8 118.343 42.098 -93.889 1.00 0.00 O ATOM 117 CB HIS A 8 119.143 45.096 -92.997 1.00 0.00 C ATOM 118 CG HIS A 8 120.118 46.251 -92.931 1.00 0.00 C ATOM 119 ND1 HIS A 8 120.656 46.930 -94.033 1.00 0.00 N ATOM 120 CD2 HIS A 8 120.606 46.812 -91.787 1.00 0.00 C ATOM 121 CE1 HIS A 8 121.463 47.877 -93.522 1.00 0.00 C ATOM 122 NE2 HIS A 8 121.450 47.829 -92.178 1.00 0.00 N ATOM 0 H HIS A 8 120.388 43.030 -94.664 1.00 0.00 H new ATOM 0 HA HIS A 8 120.267 43.659 -91.819 1.00 0.00 H new ATOM 0 HB2 HIS A 8 118.647 45.113 -93.967 1.00 0.00 H new ATOM 0 HB3 HIS A 8 118.372 45.247 -92.242 1.00 0.00 H new ATOM 0 HD2 HIS A 8 120.376 46.517 -90.774 1.00 0.00 H new ATOM 0 HE1 HIS A 8 122.040 48.577 -94.108 1.00 0.00 H new ATOM 0 HE2 HIS A 8 121.976 48.441 -91.554 1.00 0.00 H new ATOM 130 N HIS A 9 118.022 42.366 -91.676 1.00 0.00 N ATOM 131 CA HIS A 9 116.827 41.509 -91.567 1.00 0.00 C ATOM 132 C HIS A 9 115.910 41.945 -90.409 1.00 0.00 C ATOM 133 O HIS A 9 116.390 42.268 -89.318 1.00 0.00 O ATOM 134 CB HIS A 9 117.250 40.041 -91.403 1.00 0.00 C ATOM 135 CG HIS A 9 116.078 39.089 -91.430 1.00 0.00 C ATOM 136 ND1 HIS A 9 115.441 38.544 -90.310 1.00 0.00 N ATOM 137 CD2 HIS A 9 115.433 38.664 -92.555 1.00 0.00 C ATOM 138 CE1 HIS A 9 114.429 37.799 -90.789 1.00 0.00 C ATOM 139 NE2 HIS A 9 114.402 37.853 -92.133 1.00 0.00 N ATOM 0 H HIS A 9 118.328 42.742 -90.778 1.00 0.00 H new ATOM 0 HA HIS A 9 116.252 41.616 -92.487 1.00 0.00 H new ATOM 0 HB2 HIS A 9 117.946 39.777 -92.199 1.00 0.00 H new ATOM 0 HB3 HIS A 9 117.785 39.925 -90.461 1.00 0.00 H new ATOM 0 HD2 HIS A 9 115.682 38.914 -93.576 1.00 0.00 H new ATOM 0 HE1 HIS A 9 113.736 37.237 -90.181 1.00 0.00 H new ATOM 0 HE2 HIS A 9 113.733 37.375 -92.736 1.00 0.00 H new ATOM 147 N HIS A 10 114.594 41.966 -90.654 1.00 0.00 N ATOM 148 CA HIS A 10 113.549 42.429 -89.722 1.00 0.00 C ATOM 149 C HIS A 10 112.146 41.923 -90.127 1.00 0.00 C ATOM 150 O HIS A 10 111.976 41.307 -91.184 1.00 0.00 O ATOM 151 CB HIS A 10 113.576 43.973 -89.674 1.00 0.00 C ATOM 152 CG HIS A 10 113.298 44.650 -90.999 1.00 0.00 C ATOM 153 ND1 HIS A 10 114.255 44.970 -91.969 1.00 0.00 N ATOM 154 CD2 HIS A 10 112.072 45.064 -91.436 1.00 0.00 C ATOM 155 CE1 HIS A 10 113.581 45.565 -92.970 1.00 0.00 C ATOM 156 NE2 HIS A 10 112.270 45.633 -92.676 1.00 0.00 N ATOM 0 H HIS A 10 114.208 41.648 -91.543 1.00 0.00 H new ATOM 0 HA HIS A 10 113.757 42.019 -88.734 1.00 0.00 H new ATOM 0 HB2 HIS A 10 112.840 44.314 -88.946 1.00 0.00 H new ATOM 0 HB3 HIS A 10 114.553 44.295 -89.314 1.00 0.00 H new ATOM 0 HD2 HIS A 10 111.132 44.965 -90.913 1.00 0.00 H new ATOM 0 HE1 HIS A 10 114.029 45.935 -93.880 1.00 0.00 H new ATOM 0 HE2 HIS A 10 111.546 46.037 -93.270 1.00 0.00 H new ATOM 164 N GLY A 11 111.125 42.217 -89.308 1.00 0.00 N ATOM 165 CA GLY A 11 109.705 42.035 -89.664 1.00 0.00 C ATOM 166 C GLY A 11 109.100 40.656 -89.356 1.00 0.00 C ATOM 167 O GLY A 11 108.051 40.311 -89.902 1.00 0.00 O ATOM 0 H GLY A 11 111.261 42.592 -88.369 1.00 0.00 H new ATOM 0 HA2 GLY A 11 109.121 42.791 -89.139 1.00 0.00 H new ATOM 0 HA3 GLY A 11 109.592 42.228 -90.731 1.00 0.00 H new ATOM 171 N SER A 28 109.731 39.863 -88.484 1.00 0.00 N ATOM 172 CA SER A 28 109.284 38.509 -88.098 1.00 0.00 C ATOM 173 C SER A 28 108.141 38.471 -87.064 1.00 0.00 C ATOM 174 O SER A 28 107.552 37.413 -86.830 1.00 0.00 O ATOM 175 CB SER A 28 110.489 37.715 -87.580 1.00 0.00 C ATOM 176 OG SER A 28 111.096 38.386 -86.481 1.00 0.00 O ATOM 0 H SER A 28 110.589 40.147 -88.012 1.00 0.00 H new ATOM 0 HA SER A 28 108.866 38.058 -88.998 1.00 0.00 H new ATOM 0 HB2 SER A 28 110.170 36.719 -87.274 1.00 0.00 H new ATOM 0 HB3 SER A 28 111.217 37.585 -88.381 1.00 0.00 H new ATOM 0 HG SER A 28 111.862 37.865 -86.162 1.00 0.00 H new ATOM 182 N VAL A 29 107.803 39.610 -86.444 1.00 0.00 N ATOM 183 CA VAL A 29 106.890 39.710 -85.281 1.00 0.00 C ATOM 184 C VAL A 29 105.389 39.780 -85.626 1.00 0.00 C ATOM 185 O VAL A 29 104.553 39.844 -84.723 1.00 0.00 O ATOM 186 CB VAL A 29 107.293 40.882 -84.358 1.00 0.00 C ATOM 187 CG1 VAL A 29 108.710 40.694 -83.801 1.00 0.00 C ATOM 188 CG2 VAL A 29 107.213 42.248 -85.057 1.00 0.00 C ATOM 0 H VAL A 29 108.164 40.517 -86.741 1.00 0.00 H new ATOM 0 HA VAL A 29 107.014 38.765 -84.753 1.00 0.00 H new ATOM 0 HB VAL A 29 106.570 40.872 -83.542 1.00 0.00 H new ATOM 0 HG11 VAL A 29 108.962 41.536 -83.156 1.00 0.00 H new ATOM 0 HG12 VAL A 29 108.755 39.769 -83.225 1.00 0.00 H new ATOM 0 HG13 VAL A 29 109.421 40.643 -84.625 1.00 0.00 H new ATOM 0 HG21 VAL A 29 107.507 43.032 -84.359 1.00 0.00 H new ATOM 0 HG22 VAL A 29 107.883 42.257 -85.916 1.00 0.00 H new ATOM 0 HG23 VAL A 29 106.191 42.426 -85.392 1.00 0.00 H new ATOM 198 N SER A 30 105.026 39.775 -86.913 1.00 0.00 N ATOM 199 CA SER A 30 103.661 40.069 -87.392 1.00 0.00 C ATOM 200 C SER A 30 102.612 38.966 -87.142 1.00 0.00 C ATOM 201 O SER A 30 101.414 39.219 -87.294 1.00 0.00 O ATOM 202 CB SER A 30 103.702 40.390 -88.894 1.00 0.00 C ATOM 203 OG SER A 30 104.603 41.460 -89.153 1.00 0.00 O ATOM 0 H SER A 30 105.679 39.564 -87.667 1.00 0.00 H new ATOM 0 HA SER A 30 103.333 40.922 -86.798 1.00 0.00 H new ATOM 0 HB2 SER A 30 104.009 39.506 -89.452 1.00 0.00 H new ATOM 0 HB3 SER A 30 102.704 40.656 -89.242 1.00 0.00 H new ATOM 0 HG SER A 30 104.618 41.650 -90.114 1.00 0.00 H new ATOM 209 N PHE A 31 103.027 37.746 -86.778 1.00 0.00 N ATOM 210 CA PHE A 31 102.128 36.598 -86.580 1.00 0.00 C ATOM 211 C PHE A 31 101.392 36.616 -85.219 1.00 0.00 C ATOM 212 O PHE A 31 101.932 37.077 -84.210 1.00 0.00 O ATOM 213 CB PHE A 31 102.920 35.296 -86.779 1.00 0.00 C ATOM 214 CG PHE A 31 102.064 34.042 -86.745 1.00 0.00 C ATOM 215 CD1 PHE A 31 101.272 33.700 -87.859 1.00 0.00 C ATOM 216 CD2 PHE A 31 102.025 33.237 -85.589 1.00 0.00 C ATOM 217 CE1 PHE A 31 100.446 32.563 -87.816 1.00 0.00 C ATOM 218 CE2 PHE A 31 101.198 32.100 -85.546 1.00 0.00 C ATOM 219 CZ PHE A 31 100.408 31.763 -86.660 1.00 0.00 C ATOM 0 H PHE A 31 104.008 37.524 -86.610 1.00 0.00 H new ATOM 0 HA PHE A 31 101.338 36.665 -87.328 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.441 35.342 -87.735 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.683 35.224 -86.003 1.00 0.00 H new ATOM 0 HD1 PHE A 31 101.299 34.313 -88.748 1.00 0.00 H new ATOM 0 HD2 PHE A 31 102.632 33.494 -84.733 1.00 0.00 H new ATOM 0 HE1 PHE A 31 99.840 32.304 -88.672 1.00 0.00 H new ATOM 0 HE2 PHE A 31 101.170 31.486 -84.658 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.773 30.890 -86.628 1.00 0.00 H new ATOM 229 N GLY A 32 100.174 36.054 -85.192 1.00 0.00 N ATOM 230 CA GLY A 32 99.337 35.876 -83.995 1.00 0.00 C ATOM 231 C GLY A 32 98.453 37.087 -83.654 1.00 0.00 C ATOM 232 O GLY A 32 98.910 38.234 -83.671 1.00 0.00 O ATOM 0 H GLY A 32 99.727 35.697 -86.037 1.00 0.00 H new ATOM 0 HA2 GLY A 32 98.699 35.004 -84.139 1.00 0.00 H new ATOM 0 HA3 GLY A 32 99.983 35.661 -83.143 1.00 0.00 H new ATOM 236 N ALA A 33 97.177 36.826 -83.341 1.00 0.00 N ATOM 237 CA ALA A 33 96.169 37.837 -82.989 1.00 0.00 C ATOM 238 C ALA A 33 95.073 37.268 -82.043 1.00 0.00 C ATOM 239 O ALA A 33 93.918 37.111 -82.456 1.00 0.00 O ATOM 240 CB ALA A 33 95.592 38.408 -84.297 1.00 0.00 C ATOM 0 H ALA A 33 96.805 35.876 -83.325 1.00 0.00 H new ATOM 0 HA ALA A 33 96.634 38.643 -82.421 1.00 0.00 H new ATOM 0 HB1 ALA A 33 94.840 39.162 -84.064 1.00 0.00 H new ATOM 0 HB2 ALA A 33 96.393 38.862 -84.880 1.00 0.00 H new ATOM 0 HB3 ALA A 33 95.134 37.605 -84.874 1.00 0.00 H new ATOM 246 N PRO A 34 95.413 36.913 -80.784 1.00 0.00 N ATOM 247 CA PRO A 34 94.456 36.376 -79.811 1.00 0.00 C ATOM 248 C PRO A 34 93.449 37.436 -79.318 1.00 0.00 C ATOM 249 O PRO A 34 93.793 38.612 -79.158 1.00 0.00 O ATOM 250 CB PRO A 34 95.313 35.827 -78.666 1.00 0.00 C ATOM 251 CG PRO A 34 96.548 36.728 -78.693 1.00 0.00 C ATOM 252 CD PRO A 34 96.739 37.006 -80.184 1.00 0.00 C ATOM 0 HA PRO A 34 93.833 35.602 -80.260 1.00 0.00 H new ATOM 0 HB2 PRO A 34 94.793 35.885 -77.710 1.00 0.00 H new ATOM 0 HB3 PRO A 34 95.574 34.781 -78.824 1.00 0.00 H new ATOM 0 HG2 PRO A 34 96.390 37.647 -78.128 1.00 0.00 H new ATOM 0 HG3 PRO A 34 97.418 36.234 -78.260 1.00 0.00 H new ATOM 0 HD2 PRO A 34 97.171 37.994 -80.344 1.00 0.00 H new ATOM 0 HD3 PRO A 34 97.421 36.283 -80.631 1.00 0.00 H new ATOM 260 N SER A 35 92.214 36.998 -79.032 1.00 0.00 N ATOM 261 CA SER A 35 91.091 37.856 -78.595 1.00 0.00 C ATOM 262 C SER A 35 90.245 37.205 -77.476 1.00 0.00 C ATOM 263 O SER A 35 89.060 36.918 -77.686 1.00 0.00 O ATOM 264 CB SER A 35 90.213 38.236 -79.804 1.00 0.00 C ATOM 265 OG SER A 35 90.940 38.983 -80.773 1.00 0.00 O ATOM 0 H SER A 35 91.957 36.013 -79.098 1.00 0.00 H new ATOM 0 HA SER A 35 91.520 38.762 -78.167 1.00 0.00 H new ATOM 0 HB2 SER A 35 89.818 37.331 -80.265 1.00 0.00 H new ATOM 0 HB3 SER A 35 89.358 38.819 -79.463 1.00 0.00 H new ATOM 0 HG SER A 35 90.351 39.204 -81.525 1.00 0.00 H new ATOM 271 N PRO A 36 90.821 36.926 -76.286 1.00 0.00 N ATOM 272 CA PRO A 36 90.095 36.317 -75.166 1.00 0.00 C ATOM 273 C PRO A 36 89.029 37.266 -74.581 1.00 0.00 C ATOM 274 O PRO A 36 89.306 38.438 -74.301 1.00 0.00 O ATOM 275 CB PRO A 36 91.171 35.956 -74.137 1.00 0.00 C ATOM 276 CG PRO A 36 92.268 36.990 -74.389 1.00 0.00 C ATOM 277 CD PRO A 36 92.202 37.196 -75.902 1.00 0.00 C ATOM 0 HA PRO A 36 89.535 35.438 -75.484 1.00 0.00 H new ATOM 0 HB2 PRO A 36 90.788 36.017 -73.118 1.00 0.00 H new ATOM 0 HB3 PRO A 36 91.537 34.939 -74.279 1.00 0.00 H new ATOM 0 HG2 PRO A 36 92.082 37.917 -73.847 1.00 0.00 H new ATOM 0 HG3 PRO A 36 93.246 36.627 -74.073 1.00 0.00 H new ATOM 0 HD2 PRO A 36 92.490 38.213 -76.170 1.00 0.00 H new ATOM 0 HD3 PRO A 36 92.888 36.524 -76.417 1.00 0.00 H new ATOM 285 N LEU A 37 87.807 36.755 -74.379 1.00 0.00 N ATOM 286 CA LEU A 37 86.668 37.495 -73.813 1.00 0.00 C ATOM 287 C LEU A 37 85.682 36.523 -73.132 1.00 0.00 C ATOM 288 O LEU A 37 85.066 35.687 -73.798 1.00 0.00 O ATOM 289 CB LEU A 37 86.002 38.306 -74.951 1.00 0.00 C ATOM 290 CG LEU A 37 85.109 39.485 -74.511 1.00 0.00 C ATOM 291 CD1 LEU A 37 84.661 40.262 -75.751 1.00 0.00 C ATOM 292 CD2 LEU A 37 83.846 39.073 -73.749 1.00 0.00 C ATOM 0 H LEU A 37 87.576 35.789 -74.611 1.00 0.00 H new ATOM 0 HA LEU A 37 87.004 38.188 -73.041 1.00 0.00 H new ATOM 0 HB2 LEU A 37 86.787 38.694 -75.601 1.00 0.00 H new ATOM 0 HB3 LEU A 37 85.399 37.624 -75.551 1.00 0.00 H new ATOM 0 HG LEU A 37 85.720 40.081 -73.833 1.00 0.00 H new ATOM 0 HD11 LEU A 37 84.029 41.097 -75.448 1.00 0.00 H new ATOM 0 HD12 LEU A 37 85.536 40.641 -76.278 1.00 0.00 H new ATOM 0 HD13 LEU A 37 84.098 39.602 -76.411 1.00 0.00 H new ATOM 0 HD21 LEU A 37 83.278 39.963 -73.478 1.00 0.00 H new ATOM 0 HD22 LEU A 37 83.234 38.430 -74.381 1.00 0.00 H new ATOM 0 HD23 LEU A 37 84.127 38.533 -72.845 1.00 0.00 H new ATOM 304 N SER A 38 85.521 36.643 -71.810 1.00 0.00 N ATOM 305 CA SER A 38 84.507 35.923 -71.017 1.00 0.00 C ATOM 306 C SER A 38 84.151 36.662 -69.715 1.00 0.00 C ATOM 307 O SER A 38 84.990 37.350 -69.124 1.00 0.00 O ATOM 308 CB SER A 38 84.970 34.490 -70.701 1.00 0.00 C ATOM 309 OG SER A 38 86.202 34.471 -69.988 1.00 0.00 O ATOM 0 H SER A 38 86.105 37.258 -71.243 1.00 0.00 H new ATOM 0 HA SER A 38 83.606 35.879 -71.629 1.00 0.00 H new ATOM 0 HB2 SER A 38 84.204 33.983 -70.114 1.00 0.00 H new ATOM 0 HB3 SER A 38 85.081 33.932 -71.631 1.00 0.00 H new ATOM 0 HG SER A 38 86.460 33.543 -69.806 1.00 0.00 H new ATOM 315 N SER A 39 82.897 36.525 -69.261 1.00 0.00 N ATOM 316 CA SER A 39 82.416 37.028 -67.963 1.00 0.00 C ATOM 317 C SER A 39 81.133 36.302 -67.524 1.00 0.00 C ATOM 318 O SER A 39 80.167 36.221 -68.287 1.00 0.00 O ATOM 319 CB SER A 39 82.138 38.536 -68.046 1.00 0.00 C ATOM 320 OG SER A 39 81.807 39.048 -66.762 1.00 0.00 O ATOM 0 H SER A 39 82.171 36.050 -69.798 1.00 0.00 H new ATOM 0 HA SER A 39 83.196 36.837 -67.226 1.00 0.00 H new ATOM 0 HB2 SER A 39 83.014 39.053 -68.436 1.00 0.00 H new ATOM 0 HB3 SER A 39 81.320 38.724 -68.742 1.00 0.00 H new ATOM 0 HG SER A 39 81.634 40.010 -66.828 1.00 0.00 H new ATOM 326 N GLU A 40 81.113 35.783 -66.292 1.00 0.00 N ATOM 327 CA GLU A 40 79.931 35.186 -65.646 1.00 0.00 C ATOM 328 C GLU A 40 80.072 35.244 -64.110 1.00 0.00 C ATOM 329 O GLU A 40 81.066 34.760 -63.557 1.00 0.00 O ATOM 330 CB GLU A 40 79.755 33.733 -66.126 1.00 0.00 C ATOM 331 CG GLU A 40 78.467 33.093 -65.598 1.00 0.00 C ATOM 332 CD GLU A 40 78.273 31.685 -66.194 1.00 0.00 C ATOM 333 OE1 GLU A 40 78.815 30.699 -65.634 1.00 0.00 O ATOM 334 OE2 GLU A 40 77.582 31.548 -67.235 1.00 0.00 O ATOM 0 H GLU A 40 81.941 35.764 -65.696 1.00 0.00 H new ATOM 0 HA GLU A 40 79.044 35.755 -65.925 1.00 0.00 H new ATOM 0 HB2 GLU A 40 79.747 33.712 -67.216 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.611 33.141 -65.802 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.506 33.031 -64.510 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.613 33.721 -65.851 1.00 0.00 H new ATOM 341 N SER A 41 79.093 35.840 -63.417 1.00 0.00 N ATOM 342 CA SER A 41 79.055 35.941 -61.946 1.00 0.00 C ATOM 343 C SER A 41 77.641 36.228 -61.414 1.00 0.00 C ATOM 344 O SER A 41 76.836 36.872 -62.091 1.00 0.00 O ATOM 345 CB SER A 41 80.005 37.054 -61.476 1.00 0.00 C ATOM 346 OG SER A 41 80.189 36.993 -60.068 1.00 0.00 O ATOM 0 H SER A 41 78.288 36.275 -63.868 1.00 0.00 H new ATOM 0 HA SER A 41 79.371 34.976 -61.550 1.00 0.00 H new ATOM 0 HB2 SER A 41 80.967 36.955 -61.979 1.00 0.00 H new ATOM 0 HB3 SER A 41 79.599 38.027 -61.753 1.00 0.00 H new ATOM 0 HG SER A 41 80.798 37.707 -59.786 1.00 0.00 H new ATOM 352 N GLU A 42 77.359 35.781 -60.183 1.00 0.00 N ATOM 353 CA GLU A 42 76.154 36.089 -59.389 1.00 0.00 C ATOM 354 C GLU A 42 74.824 35.940 -60.164 1.00 0.00 C ATOM 355 O GLU A 42 74.055 36.889 -60.346 1.00 0.00 O ATOM 356 CB GLU A 42 76.341 37.443 -58.670 1.00 0.00 C ATOM 357 CG GLU A 42 75.301 37.765 -57.582 1.00 0.00 C ATOM 358 CD GLU A 42 75.202 36.664 -56.510 1.00 0.00 C ATOM 359 OE1 GLU A 42 75.941 36.727 -55.497 1.00 0.00 O ATOM 360 OE2 GLU A 42 74.367 35.742 -56.672 1.00 0.00 O ATOM 0 H GLU A 42 77.997 35.161 -59.684 1.00 0.00 H new ATOM 0 HA GLU A 42 76.050 35.323 -58.620 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.332 37.460 -58.217 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.318 38.237 -59.416 1.00 0.00 H new ATOM 0 HG2 GLU A 42 75.562 38.709 -57.104 1.00 0.00 H new ATOM 0 HG3 GLU A 42 74.325 37.902 -58.047 1.00 0.00 H new ATOM 367 N ASP A 43 74.525 34.712 -60.604 1.00 0.00 N ATOM 368 CA ASP A 43 73.240 34.324 -61.216 1.00 0.00 C ATOM 369 C ASP A 43 72.114 34.152 -60.161 1.00 0.00 C ATOM 370 O ASP A 43 71.344 33.188 -60.179 1.00 0.00 O ATOM 371 CB ASP A 43 73.437 33.084 -62.105 1.00 0.00 C ATOM 372 CG ASP A 43 74.386 33.364 -63.283 1.00 0.00 C ATOM 373 OD1 ASP A 43 73.958 34.030 -64.259 1.00 0.00 O ATOM 374 OD2 ASP A 43 75.551 32.897 -63.251 1.00 0.00 O ATOM 0 H ASP A 43 75.185 33.937 -60.544 1.00 0.00 H new ATOM 0 HA ASP A 43 72.900 35.137 -61.858 1.00 0.00 H new ATOM 0 HB2 ASP A 43 73.836 32.267 -61.504 1.00 0.00 H new ATOM 0 HB3 ASP A 43 72.471 32.755 -62.488 1.00 0.00 H new ATOM 379 N GLU A 44 72.048 35.083 -59.204 1.00 0.00 N ATOM 380 CA GLU A 44 71.248 35.028 -57.973 1.00 0.00 C ATOM 381 C GLU A 44 71.506 33.760 -57.123 1.00 0.00 C ATOM 382 O GLU A 44 70.588 33.134 -56.583 1.00 0.00 O ATOM 383 CB GLU A 44 69.765 35.327 -58.268 1.00 0.00 C ATOM 384 CG GLU A 44 69.051 35.983 -57.080 1.00 0.00 C ATOM 385 CD GLU A 44 69.382 37.485 -56.975 1.00 0.00 C ATOM 386 OE1 GLU A 44 70.414 37.844 -56.355 1.00 0.00 O ATOM 387 OE2 GLU A 44 68.609 38.319 -57.509 1.00 0.00 O ATOM 0 H GLU A 44 72.584 35.948 -59.271 1.00 0.00 H new ATOM 0 HA GLU A 44 71.590 35.829 -57.318 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.695 35.982 -59.136 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.255 34.399 -58.527 1.00 0.00 H new ATOM 0 HG2 GLU A 44 67.974 35.854 -57.186 1.00 0.00 H new ATOM 0 HG3 GLU A 44 69.342 35.481 -56.158 1.00 0.00 H new ATOM 394 N ILE A 45 72.784 33.380 -56.987 1.00 0.00 N ATOM 395 CA ILE A 45 73.266 32.219 -56.216 1.00 0.00 C ATOM 396 C ILE A 45 73.527 32.647 -54.755 1.00 0.00 C ATOM 397 O ILE A 45 74.612 32.463 -54.193 1.00 0.00 O ATOM 398 CB ILE A 45 74.469 31.529 -56.918 1.00 0.00 C ATOM 399 CG1 ILE A 45 74.285 31.344 -58.446 1.00 0.00 C ATOM 400 CG2 ILE A 45 74.770 30.152 -56.291 1.00 0.00 C ATOM 401 CD1 ILE A 45 73.076 30.498 -58.875 1.00 0.00 C ATOM 0 H ILE A 45 73.546 33.894 -57.430 1.00 0.00 H new ATOM 0 HA ILE A 45 72.498 31.446 -56.180 1.00 0.00 H new ATOM 0 HB ILE A 45 75.306 32.210 -56.765 1.00 0.00 H new ATOM 0 HG12 ILE A 45 74.197 32.329 -58.904 1.00 0.00 H new ATOM 0 HG13 ILE A 45 75.188 30.885 -58.849 1.00 0.00 H new ATOM 0 HG21 ILE A 45 75.616 29.696 -56.804 1.00 0.00 H new ATOM 0 HG22 ILE A 45 75.011 30.278 -55.235 1.00 0.00 H new ATOM 0 HG23 ILE A 45 73.896 29.508 -56.390 1.00 0.00 H new ATOM 0 HD11 ILE A 45 73.044 30.434 -59.963 1.00 0.00 H new ATOM 0 HD12 ILE A 45 73.166 29.496 -58.455 1.00 0.00 H new ATOM 0 HD13 ILE A 45 72.159 30.963 -58.512 1.00 0.00 H new ATOM 413 N ASN A 46 72.526 33.292 -54.150 1.00 0.00 N ATOM 414 CA ASN A 46 72.561 33.846 -52.795 1.00 0.00 C ATOM 415 C ASN A 46 71.172 33.762 -52.126 1.00 0.00 C ATOM 416 O ASN A 46 70.149 34.029 -52.765 1.00 0.00 O ATOM 417 CB ASN A 46 73.109 35.288 -52.845 1.00 0.00 C ATOM 418 CG ASN A 46 72.186 36.266 -53.562 1.00 0.00 C ATOM 419 OD1 ASN A 46 71.334 36.903 -52.958 1.00 0.00 O ATOM 420 ND2 ASN A 46 72.317 36.424 -54.858 1.00 0.00 N ATOM 0 H ASN A 46 71.630 33.449 -54.612 1.00 0.00 H new ATOM 0 HA ASN A 46 73.233 33.253 -52.175 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.277 35.640 -51.827 1.00 0.00 H new ATOM 0 HB3 ASN A 46 74.078 35.283 -53.344 1.00 0.00 H new ATOM 0 HD21 ASN A 46 71.710 37.075 -55.356 1.00 0.00 H new ATOM 0 HD22 ASN A 46 73.026 35.896 -55.367 1.00 0.00 H new ATOM 427 N TYR A 47 71.140 33.367 -50.849 1.00 0.00 N ATOM 428 CA TYR A 47 69.922 33.209 -50.038 1.00 0.00 C ATOM 429 C TYR A 47 70.240 33.148 -48.531 1.00 0.00 C ATOM 430 O TYR A 47 71.314 32.693 -48.127 1.00 0.00 O ATOM 431 CB TYR A 47 69.154 31.940 -50.472 1.00 0.00 C ATOM 432 CG TYR A 47 69.978 30.662 -50.547 1.00 0.00 C ATOM 433 CD1 TYR A 47 70.149 29.855 -49.403 1.00 0.00 C ATOM 434 CD2 TYR A 47 70.570 30.279 -51.768 1.00 0.00 C ATOM 435 CE1 TYR A 47 70.921 28.680 -49.474 1.00 0.00 C ATOM 436 CE2 TYR A 47 71.345 29.105 -51.843 1.00 0.00 C ATOM 437 CZ TYR A 47 71.525 28.302 -50.695 1.00 0.00 C ATOM 438 OH TYR A 47 72.278 27.168 -50.777 1.00 0.00 O ATOM 0 H TYR A 47 71.989 33.140 -50.331 1.00 0.00 H new ATOM 0 HA TYR A 47 69.297 34.086 -50.208 1.00 0.00 H new ATOM 0 HB2 TYR A 47 68.331 31.780 -49.775 1.00 0.00 H new ATOM 0 HB3 TYR A 47 68.711 32.123 -51.451 1.00 0.00 H new ATOM 0 HD1 TYR A 47 69.686 30.139 -48.470 1.00 0.00 H new ATOM 0 HD2 TYR A 47 70.429 30.888 -52.649 1.00 0.00 H new ATOM 0 HE1 TYR A 47 71.052 28.067 -48.595 1.00 0.00 H new ATOM 0 HE2 TYR A 47 71.802 28.819 -52.779 1.00 0.00 H new ATOM 0 HH TYR A 47 72.614 27.064 -51.692 1.00 0.00 H new ATOM 448 N MET A 48 69.287 33.578 -47.693 1.00 0.00 N ATOM 449 CA MET A 48 69.304 33.395 -46.232 1.00 0.00 C ATOM 450 C MET A 48 67.873 33.447 -45.661 1.00 0.00 C ATOM 451 O MET A 48 67.056 34.258 -46.105 1.00 0.00 O ATOM 452 CB MET A 48 70.188 34.474 -45.572 1.00 0.00 C ATOM 453 CG MET A 48 70.667 34.051 -44.178 1.00 0.00 C ATOM 454 SD MET A 48 71.542 35.355 -43.272 1.00 0.00 S ATOM 455 CE MET A 48 71.917 34.452 -41.743 1.00 0.00 C ATOM 0 H MET A 48 68.459 34.077 -48.020 1.00 0.00 H new ATOM 0 HA MET A 48 69.724 32.414 -46.010 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.051 34.673 -46.207 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.627 35.405 -45.495 1.00 0.00 H new ATOM 0 HG2 MET A 48 69.806 33.730 -43.591 1.00 0.00 H new ATOM 0 HG3 MET A 48 71.325 33.188 -44.278 1.00 0.00 H new ATOM 0 HE1 MET A 48 72.460 35.104 -41.059 1.00 0.00 H new ATOM 0 HE2 MET A 48 70.988 34.128 -41.275 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.529 33.581 -41.976 1.00 0.00 H new ATOM 465 N THR A 49 67.570 32.603 -44.668 1.00 0.00 N ATOM 466 CA THR A 49 66.229 32.463 -44.049 1.00 0.00 C ATOM 467 C THR A 49 66.307 32.396 -42.506 1.00 0.00 C ATOM 468 O THR A 49 65.984 31.366 -41.903 1.00 0.00 O ATOM 469 CB THR A 49 65.471 31.255 -44.647 1.00 0.00 C ATOM 470 OG1 THR A 49 66.289 30.096 -44.694 1.00 0.00 O ATOM 471 CG2 THR A 49 65.002 31.530 -46.079 1.00 0.00 C ATOM 0 H THR A 49 68.263 31.978 -44.256 1.00 0.00 H new ATOM 0 HA THR A 49 65.658 33.361 -44.287 1.00 0.00 H new ATOM 0 HB THR A 49 64.615 31.093 -43.992 1.00 0.00 H new ATOM 0 HG1 THR A 49 65.779 29.351 -45.075 1.00 0.00 H new ATOM 0 HG21 THR A 49 64.474 30.657 -46.463 1.00 0.00 H new ATOM 0 HG22 THR A 49 64.333 32.390 -46.084 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.865 31.739 -46.711 1.00 0.00 H new ATOM 479 N PRO A 50 66.762 33.474 -41.830 1.00 0.00 N ATOM 480 CA PRO A 50 66.936 33.489 -40.375 1.00 0.00 C ATOM 481 C PRO A 50 65.587 33.503 -39.615 1.00 0.00 C ATOM 482 O PRO A 50 64.606 34.072 -40.113 1.00 0.00 O ATOM 483 CB PRO A 50 67.763 34.746 -40.084 1.00 0.00 C ATOM 484 CG PRO A 50 67.331 35.706 -41.191 1.00 0.00 C ATOM 485 CD PRO A 50 67.100 34.781 -42.386 1.00 0.00 C ATOM 0 HA PRO A 50 67.434 32.583 -40.030 1.00 0.00 H new ATOM 0 HB2 PRO A 50 67.549 35.149 -39.094 1.00 0.00 H new ATOM 0 HB3 PRO A 50 68.833 34.543 -40.121 1.00 0.00 H new ATOM 0 HG2 PRO A 50 66.425 36.250 -40.922 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.099 36.450 -41.401 1.00 0.00 H new ATOM 0 HD2 PRO A 50 66.295 35.155 -43.018 1.00 0.00 H new ATOM 0 HD3 PRO A 50 67.992 34.720 -43.009 1.00 0.00 H new ATOM 493 N PRO A 51 65.516 32.920 -38.400 1.00 0.00 N ATOM 494 CA PRO A 51 64.316 32.944 -37.562 1.00 0.00 C ATOM 495 C PRO A 51 64.084 34.320 -36.912 1.00 0.00 C ATOM 496 O PRO A 51 65.029 35.045 -36.589 1.00 0.00 O ATOM 497 CB PRO A 51 64.542 31.849 -36.514 1.00 0.00 C ATOM 498 CG PRO A 51 66.061 31.850 -36.334 1.00 0.00 C ATOM 499 CD PRO A 51 66.575 32.166 -37.741 1.00 0.00 C ATOM 0 HA PRO A 51 63.416 32.764 -38.150 1.00 0.00 H new ATOM 0 HB2 PRO A 51 64.025 32.072 -35.580 1.00 0.00 H new ATOM 0 HB3 PRO A 51 64.177 30.881 -36.857 1.00 0.00 H new ATOM 0 HG2 PRO A 51 66.381 32.599 -35.610 1.00 0.00 H new ATOM 0 HG3 PRO A 51 66.426 30.886 -35.978 1.00 0.00 H new ATOM 0 HD2 PRO A 51 67.497 32.746 -37.698 1.00 0.00 H new ATOM 0 HD3 PRO A 51 66.800 31.251 -38.288 1.00 0.00 H new ATOM 507 N GLU A 52 62.815 34.666 -36.669 1.00 0.00 N ATOM 508 CA GLU A 52 62.425 35.923 -35.997 1.00 0.00 C ATOM 509 C GLU A 52 62.318 35.791 -34.466 1.00 0.00 C ATOM 510 O GLU A 52 62.429 36.791 -33.752 1.00 0.00 O ATOM 511 CB GLU A 52 61.112 36.454 -36.596 1.00 0.00 C ATOM 512 CG GLU A 52 61.263 36.846 -38.072 1.00 0.00 C ATOM 513 CD GLU A 52 59.968 37.484 -38.609 1.00 0.00 C ATOM 514 OE1 GLU A 52 59.069 36.746 -39.080 1.00 0.00 O ATOM 515 OE2 GLU A 52 59.840 38.734 -38.572 1.00 0.00 O ATOM 0 H GLU A 52 62.021 34.083 -36.932 1.00 0.00 H new ATOM 0 HA GLU A 52 63.225 36.640 -36.179 1.00 0.00 H new ATOM 0 HB2 GLU A 52 60.338 35.692 -36.502 1.00 0.00 H new ATOM 0 HB3 GLU A 52 60.778 37.320 -36.024 1.00 0.00 H new ATOM 0 HG2 GLU A 52 62.091 37.546 -38.183 1.00 0.00 H new ATOM 0 HG3 GLU A 52 61.510 35.964 -38.663 1.00 0.00 H new ATOM 522 N GLN A 53 62.135 34.560 -33.964 1.00 0.00 N ATOM 523 CA GLN A 53 62.098 34.190 -32.537 1.00 0.00 C ATOM 524 C GLN A 53 61.159 35.080 -31.687 1.00 0.00 C ATOM 525 O GLN A 53 61.527 35.566 -30.620 1.00 0.00 O ATOM 526 CB GLN A 53 63.544 34.066 -32.007 1.00 0.00 C ATOM 527 CG GLN A 53 63.651 33.203 -30.739 1.00 0.00 C ATOM 528 CD GLN A 53 65.104 33.025 -30.303 1.00 0.00 C ATOM 529 OE1 GLN A 53 65.766 32.046 -30.630 1.00 0.00 O ATOM 530 NE2 GLN A 53 65.666 33.956 -29.561 1.00 0.00 N ATOM 0 H GLN A 53 62.002 33.752 -34.573 1.00 0.00 H new ATOM 0 HA GLN A 53 61.632 33.210 -32.438 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.174 33.636 -32.786 1.00 0.00 H new ATOM 0 HB3 GLN A 53 63.933 35.062 -31.795 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.083 33.667 -29.933 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.203 32.226 -30.924 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.130 34.777 -29.280 1.00 0.00 H new ATOM 0 HE22 GLN A 53 66.638 33.856 -29.267 1.00 0.00 H new ATOM 539 N GLU A 54 59.929 35.310 -32.161 1.00 0.00 N ATOM 540 CA GLU A 54 58.964 36.227 -31.520 1.00 0.00 C ATOM 541 C GLU A 54 58.511 35.751 -30.120 1.00 0.00 C ATOM 542 O GLU A 54 58.232 36.566 -29.236 1.00 0.00 O ATOM 543 CB GLU A 54 57.767 36.404 -32.471 1.00 0.00 C ATOM 544 CG GLU A 54 56.776 37.481 -32.014 1.00 0.00 C ATOM 545 CD GLU A 54 55.674 37.697 -33.069 1.00 0.00 C ATOM 546 OE1 GLU A 54 54.663 36.950 -33.062 1.00 0.00 O ATOM 547 OE2 GLU A 54 55.801 38.622 -33.909 1.00 0.00 O ATOM 0 H GLU A 54 59.568 34.865 -33.005 1.00 0.00 H new ATOM 0 HA GLU A 54 59.456 37.184 -31.348 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.137 36.660 -33.464 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.242 35.453 -32.562 1.00 0.00 H new ATOM 0 HG2 GLU A 54 56.325 37.187 -31.066 1.00 0.00 H new ATOM 0 HG3 GLU A 54 57.306 38.417 -31.838 1.00 0.00 H new ATOM 554 N ALA A 55 58.485 34.432 -29.893 1.00 0.00 N ATOM 555 CA ALA A 55 58.118 33.792 -28.629 1.00 0.00 C ATOM 556 C ALA A 55 59.303 33.774 -27.633 1.00 0.00 C ATOM 557 O ALA A 55 59.858 32.720 -27.312 1.00 0.00 O ATOM 558 CB ALA A 55 57.540 32.403 -28.942 1.00 0.00 C ATOM 0 H ALA A 55 58.730 33.756 -30.616 1.00 0.00 H new ATOM 0 HA ALA A 55 57.347 34.368 -28.118 1.00 0.00 H new ATOM 0 HB1 ALA A 55 57.259 31.908 -28.012 1.00 0.00 H new ATOM 0 HB2 ALA A 55 56.660 32.510 -29.576 1.00 0.00 H new ATOM 0 HB3 ALA A 55 58.290 31.805 -29.460 1.00 0.00 H new ATOM 564 N GLN A 56 59.694 34.963 -27.159 1.00 0.00 N ATOM 565 CA GLN A 56 60.782 35.175 -26.187 1.00 0.00 C ATOM 566 C GLN A 56 60.445 36.191 -25.059 1.00 0.00 C ATOM 567 O GLN A 56 61.306 36.996 -24.688 1.00 0.00 O ATOM 568 CB GLN A 56 62.083 35.496 -26.957 1.00 0.00 C ATOM 569 CG GLN A 56 62.066 36.831 -27.735 1.00 0.00 C ATOM 570 CD GLN A 56 63.326 37.065 -28.574 1.00 0.00 C ATOM 571 OE1 GLN A 56 64.248 36.259 -28.649 1.00 0.00 O ATOM 572 NE2 GLN A 56 63.432 38.204 -29.230 1.00 0.00 N ATOM 0 H GLN A 56 59.250 35.834 -27.449 1.00 0.00 H new ATOM 0 HA GLN A 56 60.928 34.250 -25.630 1.00 0.00 H new ATOM 0 HB2 GLN A 56 62.912 35.515 -26.249 1.00 0.00 H new ATOM 0 HB3 GLN A 56 62.282 34.686 -27.659 1.00 0.00 H new ATOM 0 HG2 GLN A 56 61.195 36.850 -28.389 1.00 0.00 H new ATOM 0 HG3 GLN A 56 61.952 37.653 -27.028 1.00 0.00 H new ATOM 0 HE21 GLN A 56 62.679 38.891 -29.184 1.00 0.00 H new ATOM 0 HE22 GLN A 56 64.267 38.398 -29.783 1.00 0.00 H new ATOM 581 N PRO A 57 59.207 36.221 -24.514 1.00 0.00 N ATOM 582 CA PRO A 57 58.774 37.275 -23.596 1.00 0.00 C ATOM 583 C PRO A 57 59.453 37.185 -22.212 1.00 0.00 C ATOM 584 O PRO A 57 59.735 36.096 -21.702 1.00 0.00 O ATOM 585 CB PRO A 57 57.256 37.117 -23.523 1.00 0.00 C ATOM 586 CG PRO A 57 57.070 35.605 -23.635 1.00 0.00 C ATOM 587 CD PRO A 57 58.129 35.247 -24.675 1.00 0.00 C ATOM 0 HA PRO A 57 59.063 38.264 -23.951 1.00 0.00 H new ATOM 0 HB2 PRO A 57 56.853 37.506 -22.588 1.00 0.00 H new ATOM 0 HB3 PRO A 57 56.754 37.648 -24.332 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.240 35.099 -22.685 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.065 35.338 -23.963 1.00 0.00 H new ATOM 0 HD2 PRO A 57 58.496 34.232 -24.523 1.00 0.00 H new ATOM 0 HD3 PRO A 57 57.715 35.288 -25.682 1.00 0.00 H new ATOM 595 N GLY A 58 59.689 38.346 -21.587 1.00 0.00 N ATOM 596 CA GLY A 58 60.391 38.470 -20.300 1.00 0.00 C ATOM 597 C GLY A 58 61.891 38.130 -20.354 1.00 0.00 C ATOM 598 O GLY A 58 62.464 37.906 -21.424 1.00 0.00 O ATOM 0 H GLY A 58 59.392 39.244 -21.968 1.00 0.00 H new ATOM 0 HA2 GLY A 58 60.276 39.491 -19.935 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.909 37.816 -19.574 1.00 0.00 H new ATOM 602 N ALA A 59 62.536 38.099 -19.182 1.00 0.00 N ATOM 603 CA ALA A 59 63.947 37.737 -19.016 1.00 0.00 C ATOM 604 C ALA A 59 64.171 36.966 -17.698 1.00 0.00 C ATOM 605 O ALA A 59 64.203 37.557 -16.616 1.00 0.00 O ATOM 606 CB ALA A 59 64.791 39.019 -19.094 1.00 0.00 C ATOM 0 H ALA A 59 62.078 38.331 -18.300 1.00 0.00 H new ATOM 0 HA ALA A 59 64.257 37.064 -19.815 1.00 0.00 H new ATOM 0 HB1 ALA A 59 65.845 38.769 -18.972 1.00 0.00 H new ATOM 0 HB2 ALA A 59 64.641 39.495 -20.063 1.00 0.00 H new ATOM 0 HB3 ALA A 59 64.487 39.704 -18.302 1.00 0.00 H new ATOM 612 N LEU A 60 64.307 35.638 -17.798 1.00 0.00 N ATOM 613 CA LEU A 60 64.523 34.711 -16.673 1.00 0.00 C ATOM 614 C LEU A 60 65.810 33.889 -16.876 1.00 0.00 C ATOM 615 O LEU A 60 66.137 33.493 -17.996 1.00 0.00 O ATOM 616 CB LEU A 60 63.313 33.761 -16.499 1.00 0.00 C ATOM 617 CG LEU A 60 61.989 34.311 -15.924 1.00 0.00 C ATOM 618 CD1 LEU A 60 62.181 35.029 -14.587 1.00 0.00 C ATOM 619 CD2 LEU A 60 61.224 35.232 -16.875 1.00 0.00 C ATOM 0 H LEU A 60 64.269 35.158 -18.697 1.00 0.00 H new ATOM 0 HA LEU A 60 64.630 35.310 -15.768 1.00 0.00 H new ATOM 0 HB2 LEU A 60 63.091 33.333 -17.476 1.00 0.00 H new ATOM 0 HB3 LEU A 60 63.632 32.941 -15.856 1.00 0.00 H new ATOM 0 HG LEU A 60 61.386 33.416 -15.774 1.00 0.00 H new ATOM 0 HD11 LEU A 60 61.219 35.395 -14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 60 62.599 34.335 -13.858 1.00 0.00 H new ATOM 0 HD13 LEU A 60 62.862 35.869 -14.720 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.308 35.573 -16.393 1.00 0.00 H new ATOM 0 HD22 LEU A 60 61.844 36.093 -17.125 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.974 34.688 -17.786 1.00 0.00 H new ATOM 631 N ALA A 61 66.520 33.615 -15.779 1.00 0.00 N ATOM 632 CA ALA A 61 67.755 32.830 -15.735 1.00 0.00 C ATOM 633 C ALA A 61 67.942 32.098 -14.393 1.00 0.00 C ATOM 634 O ALA A 61 67.439 32.540 -13.355 1.00 0.00 O ATOM 635 CB ALA A 61 68.937 33.772 -15.986 1.00 0.00 C ATOM 0 H ALA A 61 66.237 33.949 -14.858 1.00 0.00 H new ATOM 0 HA ALA A 61 67.699 32.061 -16.506 1.00 0.00 H new ATOM 0 HB1 ALA A 61 69.867 33.204 -15.957 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.828 34.240 -16.964 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.958 34.543 -15.215 1.00 0.00 H new ATOM 641 N ALA A 62 68.717 31.011 -14.407 1.00 0.00 N ATOM 642 CA ALA A 62 69.202 30.321 -13.212 1.00 0.00 C ATOM 643 C ALA A 62 70.587 30.844 -12.774 1.00 0.00 C ATOM 644 O ALA A 62 71.396 31.289 -13.596 1.00 0.00 O ATOM 645 CB ALA A 62 69.200 28.808 -13.465 1.00 0.00 C ATOM 0 H ALA A 62 69.032 30.576 -15.274 1.00 0.00 H new ATOM 0 HA ALA A 62 68.530 30.530 -12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.561 28.290 -12.576 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.186 28.478 -13.690 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.852 28.579 -14.308 1.00 0.00 H new ATOM 651 N LEU A 63 70.860 30.771 -11.468 1.00 0.00 N ATOM 652 CA LEU A 63 72.109 31.206 -10.828 1.00 0.00 C ATOM 653 C LEU A 63 72.659 30.123 -9.883 1.00 0.00 C ATOM 654 O LEU A 63 71.907 29.294 -9.364 1.00 0.00 O ATOM 655 CB LEU A 63 71.867 32.509 -10.037 1.00 0.00 C ATOM 656 CG LEU A 63 71.432 33.735 -10.861 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.176 34.913 -9.922 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.503 34.162 -11.864 1.00 0.00 C ATOM 0 H LEU A 63 70.190 30.392 -10.799 1.00 0.00 H new ATOM 0 HA LEU A 63 72.846 31.382 -11.612 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.104 32.315 -9.283 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.784 32.762 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 63 70.531 33.454 -11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.868 35.782 -10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.388 34.651 -9.216 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.089 35.148 -9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.153 35.030 -12.423 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.419 34.419 -11.331 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.702 33.342 -12.554 1.00 0.00 H new ATOM 670 N HIS A 64 73.963 30.173 -9.608 1.00 0.00 N ATOM 671 CA HIS A 64 74.598 29.415 -8.526 1.00 0.00 C ATOM 672 C HIS A 64 74.356 30.119 -7.182 1.00 0.00 C ATOM 673 O HIS A 64 74.357 31.350 -7.119 1.00 0.00 O ATOM 674 CB HIS A 64 76.094 29.269 -8.829 1.00 0.00 C ATOM 675 CG HIS A 64 76.408 28.296 -9.937 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.364 26.903 -9.829 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.832 28.633 -11.190 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.768 26.434 -11.022 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.057 27.447 -11.856 1.00 0.00 N ATOM 0 H HIS A 64 74.618 30.749 -10.137 1.00 0.00 H new ATOM 0 HA HIS A 64 74.162 28.418 -8.457 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.497 30.247 -9.094 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.607 28.948 -7.923 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.965 29.631 -11.582 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.849 25.387 -11.275 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.386 27.354 -12.817 1.00 0.00 H new ATOM 687 N ALA A 65 74.156 29.353 -6.105 1.00 0.00 N ATOM 688 CA ALA A 65 73.746 29.878 -4.793 1.00 0.00 C ATOM 689 C ALA A 65 74.859 29.879 -3.720 1.00 0.00 C ATOM 690 O ALA A 65 74.672 30.444 -2.640 1.00 0.00 O ATOM 691 CB ALA A 65 72.518 29.077 -4.340 1.00 0.00 C ATOM 0 H ALA A 65 74.275 28.340 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 65 73.507 30.935 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.185 29.440 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.715 29.199 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 65 72.780 28.022 -4.263 1.00 0.00 H new ATOM 697 N GLU A 66 76.010 29.254 -3.994 1.00 0.00 N ATOM 698 CA GLU A 66 77.118 29.074 -3.040 1.00 0.00 C ATOM 699 C GLU A 66 78.502 29.060 -3.722 1.00 0.00 C ATOM 700 O GLU A 66 78.610 28.927 -4.947 1.00 0.00 O ATOM 701 CB GLU A 66 76.886 27.798 -2.206 1.00 0.00 C ATOM 702 CG GLU A 66 76.888 26.496 -3.022 1.00 0.00 C ATOM 703 CD GLU A 66 76.641 25.281 -2.107 1.00 0.00 C ATOM 704 OE1 GLU A 66 77.620 24.720 -1.556 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.466 24.873 -1.931 1.00 0.00 O ATOM 0 H GLU A 66 76.205 28.847 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 66 77.125 29.938 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.659 27.734 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 66 75.931 27.886 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.117 26.541 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 66 77.843 26.383 -3.535 1.00 0.00 H new ATOM 712 N GLY A 67 79.568 29.198 -2.925 1.00 0.00 N ATOM 713 CA GLY A 67 80.957 29.221 -3.408 1.00 0.00 C ATOM 714 C GLY A 67 81.318 30.486 -4.211 1.00 0.00 C ATOM 715 O GLY A 67 80.610 31.497 -4.130 1.00 0.00 O ATOM 0 H GLY A 67 79.491 29.298 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.630 29.140 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.129 28.345 -4.033 1.00 0.00 H new ATOM 719 N PRO A 68 82.402 30.455 -5.015 1.00 0.00 N ATOM 720 CA PRO A 68 82.873 31.621 -5.776 1.00 0.00 C ATOM 721 C PRO A 68 81.919 32.049 -6.908 1.00 0.00 C ATOM 722 O PRO A 68 82.021 33.174 -7.402 1.00 0.00 O ATOM 723 CB PRO A 68 84.251 31.212 -6.311 1.00 0.00 C ATOM 724 CG PRO A 68 84.154 29.693 -6.433 1.00 0.00 C ATOM 725 CD PRO A 68 83.287 29.318 -5.233 1.00 0.00 C ATOM 0 HA PRO A 68 82.919 32.503 -5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.462 31.679 -7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.049 31.509 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.696 29.390 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.135 29.219 -6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.717 28.410 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 68 83.900 29.124 -4.353 1.00 0.00 H new ATOM 733 N LEU A 69 80.976 31.181 -7.305 1.00 0.00 N ATOM 734 CA LEU A 69 79.942 31.467 -8.308 1.00 0.00 C ATOM 735 C LEU A 69 78.620 31.988 -7.713 1.00 0.00 C ATOM 736 O LEU A 69 77.675 32.184 -8.466 1.00 0.00 O ATOM 737 CB LEU A 69 79.721 30.226 -9.199 1.00 0.00 C ATOM 738 CG LEU A 69 80.897 29.890 -10.135 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.662 28.515 -10.754 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.073 30.913 -11.257 1.00 0.00 C ATOM 0 H LEU A 69 80.911 30.236 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 69 80.312 32.289 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.526 29.366 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 69 78.827 30.383 -9.803 1.00 0.00 H new ATOM 0 HG LEU A 69 81.805 29.905 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.490 28.269 -11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.596 27.767 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.732 28.526 -11.322 1.00 0.00 H new ATOM 0 HD21 LEU A 69 81.916 30.624 -11.884 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.167 30.949 -11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.261 31.896 -10.826 1.00 0.00 H new ATOM 752 N ALA A 70 78.500 32.230 -6.405 1.00 0.00 N ATOM 753 CA ALA A 70 77.237 32.687 -5.816 1.00 0.00 C ATOM 754 C ALA A 70 76.748 34.013 -6.445 1.00 0.00 C ATOM 755 O ALA A 70 77.384 35.062 -6.302 1.00 0.00 O ATOM 756 CB ALA A 70 77.401 32.796 -4.295 1.00 0.00 C ATOM 0 H ALA A 70 79.260 32.118 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 70 76.461 31.953 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.465 33.135 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.663 31.820 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.192 33.510 -4.065 1.00 0.00 H new ATOM 762 N GLY A 71 75.613 33.951 -7.152 1.00 0.00 N ATOM 763 CA GLY A 71 75.035 35.048 -7.943 1.00 0.00 C ATOM 764 C GLY A 71 75.441 35.086 -9.432 1.00 0.00 C ATOM 765 O GLY A 71 75.057 36.020 -10.134 1.00 0.00 O ATOM 0 H GLY A 71 75.049 33.102 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.949 34.981 -7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.322 35.994 -7.483 1.00 0.00 H new ATOM 769 N LEU A 72 76.201 34.097 -9.921 1.00 0.00 N ATOM 770 CA LEU A 72 76.684 33.957 -11.304 1.00 0.00 C ATOM 771 C LEU A 72 75.900 32.854 -12.071 1.00 0.00 C ATOM 772 O LEU A 72 75.317 31.969 -11.438 1.00 0.00 O ATOM 773 CB LEU A 72 78.225 33.767 -11.285 1.00 0.00 C ATOM 774 CG LEU A 72 78.994 35.032 -10.834 1.00 0.00 C ATOM 775 CD1 LEU A 72 79.174 35.196 -9.323 1.00 0.00 C ATOM 776 CD2 LEU A 72 80.404 35.054 -11.427 1.00 0.00 C ATOM 0 H LEU A 72 76.514 33.328 -9.329 1.00 0.00 H new ATOM 0 HA LEU A 72 76.486 34.867 -11.871 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.474 32.942 -10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.561 33.483 -12.282 1.00 0.00 H new ATOM 0 HG LEU A 72 78.361 35.844 -11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 72 79.725 36.114 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 72 78.196 35.246 -8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 72 79.729 34.345 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 72 80.924 35.953 -11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 72 80.953 34.173 -11.094 1.00 0.00 H new ATOM 0 HD23 LEU A 72 80.341 35.052 -12.515 1.00 0.00 H new ATOM 788 N PRO A 73 75.820 32.917 -13.418 1.00 0.00 N ATOM 789 CA PRO A 73 74.916 32.104 -14.249 1.00 0.00 C ATOM 790 C PRO A 73 75.314 30.623 -14.334 1.00 0.00 C ATOM 791 O PRO A 73 76.461 30.271 -14.079 1.00 0.00 O ATOM 792 CB PRO A 73 74.958 32.760 -15.634 1.00 0.00 C ATOM 793 CG PRO A 73 76.355 33.363 -15.696 1.00 0.00 C ATOM 794 CD PRO A 73 76.565 33.835 -14.266 1.00 0.00 C ATOM 0 HA PRO A 73 73.918 32.087 -13.812 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.799 32.031 -16.429 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.186 33.522 -15.741 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.102 32.629 -15.996 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.412 34.186 -16.409 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.624 33.831 -14.007 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.210 34.857 -14.138 1.00 0.00 H new ATOM 802 N VAL A 74 74.392 29.748 -14.752 1.00 0.00 N ATOM 803 CA VAL A 74 74.642 28.295 -14.860 1.00 0.00 C ATOM 804 C VAL A 74 74.819 27.819 -16.314 1.00 0.00 C ATOM 805 O VAL A 74 75.626 26.920 -16.554 1.00 0.00 O ATOM 806 CB VAL A 74 73.550 27.493 -14.127 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.917 26.008 -13.996 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.285 28.014 -12.705 1.00 0.00 C ATOM 0 H VAL A 74 73.449 30.022 -15.027 1.00 0.00 H new ATOM 0 HA VAL A 74 75.595 28.104 -14.367 1.00 0.00 H new ATOM 0 HB VAL A 74 72.658 27.617 -14.741 1.00 0.00 H new ATOM 0 HG11 VAL A 74 73.119 25.481 -13.473 1.00 0.00 H new ATOM 0 HG12 VAL A 74 74.047 25.577 -14.988 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.846 25.911 -13.433 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.507 27.412 -12.236 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.200 27.947 -12.116 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.960 29.053 -12.753 1.00 0.00 H new ATOM 818 N THR A 75 74.137 28.432 -17.293 1.00 0.00 N ATOM 819 CA THR A 75 74.223 28.085 -18.736 1.00 0.00 C ATOM 820 C THR A 75 74.613 29.262 -19.638 1.00 0.00 C ATOM 821 O THR A 75 74.679 30.406 -19.189 1.00 0.00 O ATOM 822 CB THR A 75 72.910 27.466 -19.245 1.00 0.00 C ATOM 823 OG1 THR A 75 71.913 28.463 -19.326 1.00 0.00 O ATOM 824 CG2 THR A 75 72.449 26.320 -18.350 1.00 0.00 C ATOM 0 H THR A 75 73.493 29.201 -17.109 1.00 0.00 H new ATOM 0 HA THR A 75 75.027 27.352 -18.799 1.00 0.00 H new ATOM 0 HB THR A 75 73.088 27.054 -20.238 1.00 0.00 H new ATOM 0 HG1 THR A 75 71.079 28.066 -19.652 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.519 25.906 -18.739 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.213 25.542 -18.332 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.286 26.691 -17.338 1.00 0.00 H new ATOM 832 N ARG A 76 74.859 29.003 -20.937 1.00 0.00 N ATOM 833 CA ARG A 76 75.140 30.064 -21.933 1.00 0.00 C ATOM 834 C ARG A 76 73.944 31.012 -22.061 1.00 0.00 C ATOM 835 O ARG A 76 74.118 32.229 -22.082 1.00 0.00 O ATOM 836 CB ARG A 76 75.471 29.449 -23.309 1.00 0.00 C ATOM 837 CG ARG A 76 76.823 28.717 -23.348 1.00 0.00 C ATOM 838 CD ARG A 76 77.079 28.016 -24.691 1.00 0.00 C ATOM 839 NE ARG A 76 77.158 28.970 -25.816 1.00 0.00 N ATOM 840 CZ ARG A 76 76.362 29.090 -26.860 1.00 0.00 C ATOM 841 NH1 ARG A 76 75.282 28.378 -27.021 1.00 0.00 N ATOM 842 NH2 ARG A 76 76.662 29.957 -27.776 1.00 0.00 N ATOM 0 H ARG A 76 74.869 28.060 -21.327 1.00 0.00 H new ATOM 0 HA ARG A 76 76.004 30.630 -21.586 1.00 0.00 H new ATOM 0 HB2 ARG A 76 74.681 28.750 -23.585 1.00 0.00 H new ATOM 0 HB3 ARG A 76 75.474 30.239 -24.060 1.00 0.00 H new ATOM 0 HG2 ARG A 76 77.624 29.431 -23.157 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.856 27.980 -22.546 1.00 0.00 H new ATOM 0 HD2 ARG A 76 78.009 27.450 -24.631 1.00 0.00 H new ATOM 0 HD3 ARG A 76 76.281 27.298 -24.882 1.00 0.00 H new ATOM 0 HE ARG A 76 77.937 29.628 -25.780 1.00 0.00 H new ATOM 0 HH11 ARG A 76 75.017 27.687 -26.319 1.00 0.00 H new ATOM 0 HH12 ARG A 76 74.702 28.512 -27.849 1.00 0.00 H new ATOM 0 HH21 ARG A 76 77.500 30.530 -27.681 1.00 0.00 H new ATOM 0 HH22 ARG A 76 76.060 30.066 -28.592 1.00 0.00 H new ATOM 856 N SER A 77 72.734 30.451 -22.048 1.00 0.00 N ATOM 857 CA SER A 77 71.473 31.202 -22.018 1.00 0.00 C ATOM 858 C SER A 77 71.364 32.051 -20.751 1.00 0.00 C ATOM 859 O SER A 77 71.059 33.238 -20.849 1.00 0.00 O ATOM 860 CB SER A 77 70.274 30.250 -22.115 1.00 0.00 C ATOM 861 OG SER A 77 70.378 29.446 -23.283 1.00 0.00 O ATOM 0 H SER A 77 72.598 29.440 -22.058 1.00 0.00 H new ATOM 0 HA SER A 77 71.466 31.869 -22.880 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.232 29.615 -21.230 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.347 30.823 -22.140 1.00 0.00 H new ATOM 0 HG SER A 77 69.608 28.841 -23.333 1.00 0.00 H new ATOM 867 N ASP A 78 71.700 31.504 -19.574 1.00 0.00 N ATOM 868 CA ASP A 78 71.719 32.295 -18.337 1.00 0.00 C ATOM 869 C ASP A 78 72.729 33.446 -18.429 1.00 0.00 C ATOM 870 O ASP A 78 72.382 34.586 -18.135 1.00 0.00 O ATOM 871 CB ASP A 78 72.066 31.434 -17.119 1.00 0.00 C ATOM 872 CG ASP A 78 71.057 30.326 -16.794 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.832 30.513 -16.993 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.521 29.290 -16.266 1.00 0.00 O ATOM 0 H ASP A 78 71.960 30.525 -19.453 1.00 0.00 H new ATOM 0 HA ASP A 78 70.714 32.699 -18.214 1.00 0.00 H new ATOM 0 HB2 ASP A 78 73.042 30.978 -17.283 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.160 32.084 -16.249 1.00 0.00 H new ATOM 879 N ALA A 79 73.959 33.183 -18.887 1.00 0.00 N ATOM 880 CA ALA A 79 74.993 34.208 -19.020 1.00 0.00 C ATOM 881 C ALA A 79 74.584 35.324 -19.999 1.00 0.00 C ATOM 882 O ALA A 79 74.781 36.500 -19.694 1.00 0.00 O ATOM 883 CB ALA A 79 76.318 33.523 -19.394 1.00 0.00 C ATOM 0 H ALA A 79 74.262 32.253 -19.175 1.00 0.00 H new ATOM 0 HA ALA A 79 75.128 34.718 -18.066 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.100 34.275 -19.497 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.595 32.816 -18.612 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.199 32.992 -20.338 1.00 0.00 H new ATOM 889 N ARG A 80 73.929 34.993 -21.122 1.00 0.00 N ATOM 890 CA ARG A 80 73.382 35.987 -22.064 1.00 0.00 C ATOM 891 C ARG A 80 72.255 36.822 -21.442 1.00 0.00 C ATOM 892 O ARG A 80 72.257 38.041 -21.603 1.00 0.00 O ATOM 893 CB ARG A 80 72.951 35.276 -23.361 1.00 0.00 C ATOM 894 CG ARG A 80 72.627 36.281 -24.478 1.00 0.00 C ATOM 895 CD ARG A 80 72.303 35.570 -25.797 1.00 0.00 C ATOM 896 NE ARG A 80 72.017 36.546 -26.871 1.00 0.00 N ATOM 897 CZ ARG A 80 71.744 36.275 -28.138 1.00 0.00 C ATOM 898 NH1 ARG A 80 71.686 35.054 -28.586 1.00 0.00 N ATOM 899 NH2 ARG A 80 71.523 37.238 -28.986 1.00 0.00 N ATOM 0 H ARG A 80 73.762 34.027 -21.405 1.00 0.00 H new ATOM 0 HA ARG A 80 74.164 36.706 -22.310 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.746 34.608 -23.692 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.076 34.657 -23.163 1.00 0.00 H new ATOM 0 HG2 ARG A 80 71.780 36.899 -24.179 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.474 36.951 -24.623 1.00 0.00 H new ATOM 0 HD2 ARG A 80 73.142 34.938 -26.089 1.00 0.00 H new ATOM 0 HD3 ARG A 80 71.443 34.914 -25.659 1.00 0.00 H new ATOM 0 HE ARG A 80 72.032 37.531 -26.608 1.00 0.00 H new ATOM 0 HH11 ARG A 80 71.853 34.271 -27.955 1.00 0.00 H new ATOM 0 HH12 ARG A 80 71.473 34.881 -29.568 1.00 0.00 H new ATOM 0 HH21 ARG A 80 71.560 38.209 -28.676 1.00 0.00 H new ATOM 0 HH22 ARG A 80 71.313 37.021 -29.960 1.00 0.00 H new ATOM 913 N VAL A 81 71.341 36.207 -20.684 1.00 0.00 N ATOM 914 CA VAL A 81 70.275 36.924 -19.949 1.00 0.00 C ATOM 915 C VAL A 81 70.862 37.856 -18.896 1.00 0.00 C ATOM 916 O VAL A 81 70.484 39.022 -18.848 1.00 0.00 O ATOM 917 CB VAL A 81 69.287 35.952 -19.279 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.295 36.662 -18.344 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.456 35.221 -20.328 1.00 0.00 C ATOM 0 H VAL A 81 71.313 35.195 -20.558 1.00 0.00 H new ATOM 0 HA VAL A 81 69.732 37.515 -20.687 1.00 0.00 H new ATOM 0 HB VAL A 81 69.903 35.263 -18.701 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.623 35.927 -17.900 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.843 37.176 -17.554 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.714 37.387 -18.913 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.764 34.539 -19.834 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.893 35.946 -20.916 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.116 34.655 -20.985 1.00 0.00 H new ATOM 929 N LEU A 82 71.794 37.375 -18.071 1.00 0.00 N ATOM 930 CA LEU A 82 72.451 38.194 -17.050 1.00 0.00 C ATOM 931 C LEU A 82 73.213 39.378 -17.666 1.00 0.00 C ATOM 932 O LEU A 82 73.017 40.505 -17.213 1.00 0.00 O ATOM 933 CB LEU A 82 73.357 37.323 -16.153 1.00 0.00 C ATOM 934 CG LEU A 82 72.685 36.704 -14.910 1.00 0.00 C ATOM 935 CD1 LEU A 82 72.056 37.763 -14.003 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.602 35.676 -15.226 1.00 0.00 C ATOM 0 H LEU A 82 72.115 36.407 -18.092 1.00 0.00 H new ATOM 0 HA LEU A 82 71.675 38.626 -16.417 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.767 36.516 -16.760 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.199 37.931 -15.821 1.00 0.00 H new ATOM 0 HG LEU A 82 73.509 36.199 -14.405 1.00 0.00 H new ATOM 0 HD11 LEU A 82 71.596 37.278 -13.142 1.00 0.00 H new ATOM 0 HD12 LEU A 82 72.827 38.454 -13.661 1.00 0.00 H new ATOM 0 HD13 LEU A 82 71.296 38.313 -14.558 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.183 35.292 -14.296 1.00 0.00 H new ATOM 0 HD22 LEU A 82 70.813 36.147 -15.812 1.00 0.00 H new ATOM 0 HD23 LEU A 82 72.036 34.854 -15.795 1.00 0.00 H new ATOM 948 N ILE A 83 73.981 39.160 -18.744 1.00 0.00 N ATOM 949 CA ILE A 83 74.593 40.248 -19.530 1.00 0.00 C ATOM 950 C ILE A 83 73.523 41.256 -19.968 1.00 0.00 C ATOM 951 O ILE A 83 73.675 42.450 -19.715 1.00 0.00 O ATOM 952 CB ILE A 83 75.382 39.687 -20.740 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.701 39.056 -20.236 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.676 40.769 -21.806 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.387 38.148 -21.265 1.00 0.00 C ATOM 0 H ILE A 83 74.196 38.228 -19.097 1.00 0.00 H new ATOM 0 HA ILE A 83 75.309 40.773 -18.897 1.00 0.00 H new ATOM 0 HB ILE A 83 74.764 38.930 -21.224 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.389 39.853 -19.953 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.495 38.478 -19.335 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.231 40.324 -22.632 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.737 41.178 -22.178 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.268 41.568 -21.360 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.305 37.743 -20.838 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.718 37.329 -21.531 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.626 38.726 -22.158 1.00 0.00 H new ATOM 967 N PHE A 84 72.432 40.792 -20.587 1.00 0.00 N ATOM 968 CA PHE A 84 71.389 41.669 -21.116 1.00 0.00 C ATOM 969 C PHE A 84 70.663 42.470 -20.029 1.00 0.00 C ATOM 970 O PHE A 84 70.500 43.675 -20.179 1.00 0.00 O ATOM 971 CB PHE A 84 70.381 40.849 -21.933 1.00 0.00 C ATOM 972 CG PHE A 84 69.446 41.696 -22.778 1.00 0.00 C ATOM 973 CD1 PHE A 84 69.978 42.605 -23.712 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.050 41.563 -22.659 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.131 43.343 -24.550 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.196 42.327 -23.479 1.00 0.00 C ATOM 977 CZ PHE A 84 67.737 43.212 -24.431 1.00 0.00 C ATOM 0 H PHE A 84 72.250 39.799 -20.734 1.00 0.00 H new ATOM 0 HA PHE A 84 71.885 42.397 -21.757 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.926 40.165 -22.584 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.788 40.237 -21.253 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.048 42.735 -23.783 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.633 40.875 -21.939 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.550 44.012 -25.287 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.125 42.234 -23.377 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.083 43.789 -25.068 1.00 0.00 H new ATOM 987 N ASN A 85 70.255 41.829 -18.931 1.00 0.00 N ATOM 988 CA ASN A 85 69.489 42.456 -17.854 1.00 0.00 C ATOM 989 C ASN A 85 70.335 43.450 -17.035 1.00 0.00 C ATOM 990 O ASN A 85 69.894 44.576 -16.782 1.00 0.00 O ATOM 991 CB ASN A 85 68.896 41.337 -16.981 1.00 0.00 C ATOM 992 CG ASN A 85 68.073 41.890 -15.828 1.00 0.00 C ATOM 993 OD1 ASN A 85 68.509 41.923 -14.688 1.00 0.00 O ATOM 994 ND2 ASN A 85 66.865 42.342 -16.086 1.00 0.00 N ATOM 0 H ASN A 85 70.452 40.842 -18.764 1.00 0.00 H new ATOM 0 HA ASN A 85 68.684 43.055 -18.279 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.270 40.691 -17.596 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.702 40.719 -16.587 1.00 0.00 H new ATOM 0 HD21 ASN A 85 66.291 42.721 -15.333 1.00 0.00 H new ATOM 0 HD22 ASN A 85 66.503 42.314 -17.039 1.00 0.00 H new ATOM 1001 N GLU A 86 71.565 43.069 -16.668 1.00 0.00 N ATOM 1002 CA GLU A 86 72.475 43.975 -15.961 1.00 0.00 C ATOM 1003 C GLU A 86 72.878 45.156 -16.850 1.00 0.00 C ATOM 1004 O GLU A 86 72.808 46.298 -16.388 1.00 0.00 O ATOM 1005 CB GLU A 86 73.718 43.243 -15.433 1.00 0.00 C ATOM 1006 CG GLU A 86 73.381 42.268 -14.297 1.00 0.00 C ATOM 1007 CD GLU A 86 74.667 41.700 -13.666 1.00 0.00 C ATOM 1008 OE1 GLU A 86 75.263 42.379 -12.791 1.00 0.00 O ATOM 1009 OE2 GLU A 86 75.089 40.573 -14.021 1.00 0.00 O ATOM 0 H GLU A 86 71.951 42.142 -16.849 1.00 0.00 H new ATOM 0 HA GLU A 86 71.933 44.363 -15.099 1.00 0.00 H new ATOM 0 HB2 GLU A 86 74.189 42.697 -16.250 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.444 43.974 -15.078 1.00 0.00 H new ATOM 0 HG2 GLU A 86 72.792 42.779 -13.536 1.00 0.00 H new ATOM 0 HG3 GLU A 86 72.768 41.453 -14.681 1.00 0.00 H new ATOM 1016 N TRP A 87 73.212 44.927 -18.129 1.00 0.00 N ATOM 1017 CA TRP A 87 73.426 46.029 -19.062 1.00 0.00 C ATOM 1018 C TRP A 87 72.173 46.891 -19.211 1.00 0.00 C ATOM 1019 O TRP A 87 72.305 48.099 -19.118 1.00 0.00 O ATOM 1020 CB TRP A 87 73.875 45.506 -20.420 1.00 0.00 C ATOM 1021 CG TRP A 87 73.908 46.532 -21.508 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.878 47.446 -21.744 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.930 46.705 -22.572 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.575 48.149 -22.894 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.389 47.728 -23.451 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.743 46.035 -22.926 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.738 48.032 -24.654 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.074 46.352 -24.116 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.561 47.343 -24.985 1.00 0.00 C ATOM 0 H TRP A 87 73.337 43.998 -18.532 1.00 0.00 H new ATOM 0 HA TRP A 87 74.216 46.657 -18.650 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.871 45.075 -20.316 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.208 44.699 -20.721 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.752 47.601 -21.129 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.159 48.890 -23.283 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.345 45.271 -22.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.136 48.786 -25.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.167 45.824 -24.370 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.034 47.572 -25.899 1.00 0.00 H new ATOM 1040 N GLU A 88 70.973 46.331 -19.373 1.00 0.00 N ATOM 1041 CA GLU A 88 69.731 47.106 -19.493 1.00 0.00 C ATOM 1042 C GLU A 88 69.522 48.068 -18.313 1.00 0.00 C ATOM 1043 O GLU A 88 69.279 49.252 -18.543 1.00 0.00 O ATOM 1044 CB GLU A 88 68.517 46.170 -19.632 1.00 0.00 C ATOM 1045 CG GLU A 88 68.163 45.835 -21.085 1.00 0.00 C ATOM 1046 CD GLU A 88 67.330 46.970 -21.717 1.00 0.00 C ATOM 1047 OE1 GLU A 88 66.083 46.962 -21.562 1.00 0.00 O ATOM 1048 OE2 GLU A 88 67.905 47.886 -22.353 1.00 0.00 O ATOM 0 H GLU A 88 70.832 45.322 -19.425 1.00 0.00 H new ATOM 0 HA GLU A 88 69.825 47.711 -20.395 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.719 45.244 -19.094 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.654 46.635 -19.155 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.076 45.682 -21.661 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.602 44.901 -21.122 1.00 0.00 H new ATOM 1055 N GLU A 89 69.660 47.619 -17.059 1.00 0.00 N ATOM 1056 CA GLU A 89 69.527 48.527 -15.904 1.00 0.00 C ATOM 1057 C GLU A 89 70.642 49.593 -15.868 1.00 0.00 C ATOM 1058 O GLU A 89 70.374 50.804 -15.804 1.00 0.00 O ATOM 1059 CB GLU A 89 69.507 47.737 -14.587 1.00 0.00 C ATOM 1060 CG GLU A 89 68.259 46.857 -14.446 1.00 0.00 C ATOM 1061 CD GLU A 89 68.150 46.276 -13.022 1.00 0.00 C ATOM 1062 OE1 GLU A 89 69.008 45.452 -12.618 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.199 46.641 -12.287 1.00 0.00 O ATOM 0 H GLU A 89 69.861 46.649 -16.816 1.00 0.00 H new ATOM 0 HA GLU A 89 68.577 49.049 -16.020 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.397 47.110 -14.530 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.553 48.433 -13.749 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.369 47.444 -14.672 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.299 46.045 -15.172 1.00 0.00 H new ATOM 1070 N ARG A 90 71.906 49.150 -15.964 1.00 0.00 N ATOM 1071 CA ARG A 90 73.076 50.046 -15.922 1.00 0.00 C ATOM 1072 C ARG A 90 73.006 51.080 -17.035 1.00 0.00 C ATOM 1073 O ARG A 90 73.161 52.260 -16.774 1.00 0.00 O ATOM 1074 CB ARG A 90 74.377 49.244 -16.051 1.00 0.00 C ATOM 1075 CG ARG A 90 74.634 48.310 -14.868 1.00 0.00 C ATOM 1076 CD ARG A 90 75.138 49.047 -13.621 1.00 0.00 C ATOM 1077 NE ARG A 90 75.392 48.105 -12.513 1.00 0.00 N ATOM 1078 CZ ARG A 90 75.904 48.398 -11.329 1.00 0.00 C ATOM 1079 NH1 ARG A 90 76.255 49.611 -11.007 1.00 0.00 N ATOM 1080 NH2 ARG A 90 76.074 47.464 -10.435 1.00 0.00 N ATOM 0 H ARG A 90 72.147 48.165 -16.073 1.00 0.00 H new ATOM 0 HA ARG A 90 73.066 50.559 -14.960 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.343 48.656 -16.968 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.214 49.936 -16.147 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.713 47.781 -14.623 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.366 47.557 -15.159 1.00 0.00 H new ATOM 0 HD2 ARG A 90 76.054 49.588 -13.860 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.402 49.788 -13.311 1.00 0.00 H new ATOM 0 HE ARG A 90 75.148 47.128 -12.677 1.00 0.00 H new ATOM 0 HH11 ARG A 90 76.138 50.371 -11.677 1.00 0.00 H new ATOM 0 HH12 ARG A 90 76.647 49.801 -10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 90 75.812 46.501 -10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 90 76.469 47.696 -9.524 1.00 0.00 H new ATOM 1094 N LYS A 91 72.694 50.650 -18.254 1.00 0.00 N ATOM 1095 CA LYS A 91 72.547 51.489 -19.460 1.00 0.00 C ATOM 1096 C LYS A 91 71.320 52.403 -19.422 1.00 0.00 C ATOM 1097 O LYS A 91 71.397 53.511 -19.945 1.00 0.00 O ATOM 1098 CB LYS A 91 72.549 50.593 -20.716 1.00 0.00 C ATOM 1099 CG LYS A 91 72.585 51.296 -22.091 1.00 0.00 C ATOM 1100 CD LYS A 91 71.187 51.450 -22.727 1.00 0.00 C ATOM 1101 CE LYS A 91 71.227 51.595 -24.259 1.00 0.00 C ATOM 1102 NZ LYS A 91 71.626 52.955 -24.728 1.00 0.00 N ATOM 0 H LYS A 91 72.527 49.662 -18.447 1.00 0.00 H new ATOM 0 HA LYS A 91 73.403 52.163 -19.494 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.411 49.929 -20.655 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.659 49.964 -20.682 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.037 52.281 -21.977 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.225 50.728 -22.767 1.00 0.00 H new ATOM 0 HD2 LYS A 91 70.580 50.583 -22.467 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.695 52.324 -22.299 1.00 0.00 H new ATOM 0 HE2 LYS A 91 71.924 50.862 -24.665 1.00 0.00 H new ATOM 0 HE3 LYS A 91 70.243 51.357 -24.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 71.762 52.941 -25.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 70.880 53.638 -24.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 72.514 53.235 -24.265 1.00 0.00 H new ATOM 1116 N LYS A 92 70.223 52.023 -18.756 1.00 0.00 N ATOM 1117 CA LYS A 92 69.128 52.965 -18.444 1.00 0.00 C ATOM 1118 C LYS A 92 69.574 54.061 -17.463 1.00 0.00 C ATOM 1119 O LYS A 92 69.085 55.187 -17.571 1.00 0.00 O ATOM 1120 CB LYS A 92 67.879 52.204 -17.968 1.00 0.00 C ATOM 1121 CG LYS A 92 67.157 51.566 -19.167 1.00 0.00 C ATOM 1122 CD LYS A 92 66.049 50.598 -18.734 1.00 0.00 C ATOM 1123 CE LYS A 92 65.443 49.943 -19.982 1.00 0.00 C ATOM 1124 NZ LYS A 92 64.377 48.961 -19.643 1.00 0.00 N ATOM 0 H LYS A 92 70.065 51.073 -18.421 1.00 0.00 H new ATOM 0 HA LYS A 92 68.855 53.487 -19.361 1.00 0.00 H new ATOM 0 HB2 LYS A 92 68.165 51.432 -17.253 1.00 0.00 H new ATOM 0 HB3 LYS A 92 67.205 52.885 -17.449 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.727 52.351 -19.789 1.00 0.00 H new ATOM 0 HG3 LYS A 92 67.882 51.033 -19.782 1.00 0.00 H new ATOM 0 HD2 LYS A 92 66.454 49.836 -18.068 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.279 51.132 -18.177 1.00 0.00 H new ATOM 0 HE2 LYS A 92 65.030 50.715 -20.631 1.00 0.00 H new ATOM 0 HE3 LYS A 92 66.230 49.442 -20.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 64.577 48.055 -20.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 64.351 48.818 -18.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.457 49.322 -19.966 1.00 0.00 H new ATOM 1138 N SER A 93 70.555 53.789 -16.593 1.00 0.00 N ATOM 1139 CA SER A 93 71.290 54.848 -15.860 1.00 0.00 C ATOM 1140 C SER A 93 72.455 55.507 -16.645 1.00 0.00 C ATOM 1141 O SER A 93 72.842 56.635 -16.331 1.00 0.00 O ATOM 1142 CB SER A 93 71.808 54.315 -14.518 1.00 0.00 C ATOM 1143 OG SER A 93 70.723 53.918 -13.688 1.00 0.00 O ATOM 0 H SER A 93 70.865 52.842 -16.373 1.00 0.00 H new ATOM 0 HA SER A 93 70.555 55.638 -15.705 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.472 53.468 -14.688 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.395 55.084 -14.016 1.00 0.00 H new ATOM 0 HG SER A 93 71.070 53.579 -12.836 1.00 0.00 H new ATOM 1149 N GLU A 94 73.016 54.837 -17.657 1.00 0.00 N ATOM 1150 CA GLU A 94 74.279 55.163 -18.350 1.00 0.00 C ATOM 1151 C GLU A 94 74.164 54.922 -19.875 1.00 0.00 C ATOM 1152 O GLU A 94 74.669 53.914 -20.382 1.00 0.00 O ATOM 1153 CB GLU A 94 75.438 54.309 -17.783 1.00 0.00 C ATOM 1154 CG GLU A 94 75.656 54.467 -16.280 1.00 0.00 C ATOM 1155 CD GLU A 94 76.927 53.721 -15.825 1.00 0.00 C ATOM 1156 OE1 GLU A 94 78.049 54.265 -15.986 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.820 52.595 -15.279 1.00 0.00 O ATOM 0 H GLU A 94 72.578 54.000 -18.042 1.00 0.00 H new ATOM 0 HA GLU A 94 74.484 56.220 -18.180 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.241 53.259 -18.002 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.359 54.576 -18.302 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.742 55.525 -16.030 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.791 54.081 -15.741 1.00 0.00 H new ATOM 1164 N PRO A 95 73.490 55.799 -20.645 1.00 0.00 N ATOM 1165 CA PRO A 95 73.064 55.506 -22.024 1.00 0.00 C ATOM 1166 C PRO A 95 74.187 55.144 -23.017 1.00 0.00 C ATOM 1167 O PRO A 95 73.907 54.542 -24.056 1.00 0.00 O ATOM 1168 CB PRO A 95 72.254 56.734 -22.472 1.00 0.00 C ATOM 1169 CG PRO A 95 72.647 57.838 -21.488 1.00 0.00 C ATOM 1170 CD PRO A 95 72.920 57.061 -20.205 1.00 0.00 C ATOM 0 HA PRO A 95 72.474 54.589 -22.025 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.494 57.014 -23.498 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.183 56.536 -22.438 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.527 58.386 -21.825 1.00 0.00 H new ATOM 0 HG3 PRO A 95 71.848 58.568 -21.357 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.609 57.601 -19.556 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.004 56.903 -19.636 1.00 0.00 H new ATOM 1178 N TRP A 96 75.445 55.443 -22.690 1.00 0.00 N ATOM 1179 CA TRP A 96 76.651 55.130 -23.469 1.00 0.00 C ATOM 1180 C TRP A 96 77.161 53.675 -23.349 1.00 0.00 C ATOM 1181 O TRP A 96 78.076 53.299 -24.088 1.00 0.00 O ATOM 1182 CB TRP A 96 77.742 56.118 -23.023 1.00 0.00 C ATOM 1183 CG TRP A 96 77.998 56.155 -21.542 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.818 55.323 -20.857 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.400 57.036 -20.538 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.769 55.626 -19.510 1.00 0.00 N ATOM 1187 CE2 TRP A 96 77.904 56.668 -19.253 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.472 58.100 -20.580 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.502 57.313 -18.075 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.065 58.757 -19.402 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.572 58.364 -18.151 1.00 0.00 C ATOM 0 H TRP A 96 75.666 55.938 -21.826 1.00 0.00 H new ATOM 0 HA TRP A 96 76.394 55.230 -24.524 1.00 0.00 H new ATOM 0 HB2 TRP A 96 78.672 55.863 -23.531 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.462 57.118 -23.353 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.419 54.541 -21.297 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.307 55.138 -18.794 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.068 58.415 -21.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 77.902 57.006 -17.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.357 59.570 -19.461 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.248 58.868 -17.252 1.00 0.00 H new ATOM 1202 N LEU A 97 76.635 52.851 -22.429 1.00 0.00 N ATOM 1203 CA LEU A 97 77.225 51.563 -22.055 1.00 0.00 C ATOM 1204 C LEU A 97 77.259 50.522 -23.197 1.00 0.00 C ATOM 1205 O LEU A 97 76.259 50.287 -23.882 1.00 0.00 O ATOM 1206 CB LEU A 97 76.452 51.025 -20.836 1.00 0.00 C ATOM 1207 CG LEU A 97 77.158 49.896 -20.083 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.476 50.330 -19.436 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.243 49.387 -18.972 1.00 0.00 C ATOM 0 H LEU A 97 75.778 53.066 -21.920 1.00 0.00 H new ATOM 0 HA LEU A 97 78.274 51.734 -21.814 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.271 51.848 -20.145 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.477 50.668 -21.169 1.00 0.00 H new ATOM 0 HG LEU A 97 77.382 49.125 -20.820 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.924 49.482 -18.919 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.159 50.687 -20.206 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.284 51.131 -18.722 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.740 48.582 -18.431 1.00 0.00 H new ATOM 0 HD22 LEU A 97 76.018 50.202 -18.284 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.316 49.013 -19.407 1.00 0.00 H new ATOM 1221 N ARG A 98 78.399 49.834 -23.349 1.00 0.00 N ATOM 1222 CA ARG A 98 78.648 48.780 -24.353 1.00 0.00 C ATOM 1223 C ARG A 98 78.013 47.433 -23.970 1.00 0.00 C ATOM 1224 O ARG A 98 77.959 47.072 -22.795 1.00 0.00 O ATOM 1225 CB ARG A 98 80.174 48.671 -24.517 1.00 0.00 C ATOM 1226 CG ARG A 98 80.704 47.727 -25.612 1.00 0.00 C ATOM 1227 CD ARG A 98 80.328 48.146 -27.045 1.00 0.00 C ATOM 1228 NE ARG A 98 79.332 47.237 -27.656 1.00 0.00 N ATOM 1229 CZ ARG A 98 78.591 47.473 -28.726 1.00 0.00 C ATOM 1230 NH1 ARG A 98 78.634 48.601 -29.374 1.00 0.00 N ATOM 1231 NH2 ARG A 98 77.779 46.553 -29.156 1.00 0.00 N ATOM 0 H ARG A 98 79.209 50.001 -22.753 1.00 0.00 H new ATOM 0 HA ARG A 98 78.176 49.048 -25.298 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.563 49.669 -24.716 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.593 48.349 -23.564 1.00 0.00 H new ATOM 0 HG2 ARG A 98 81.790 47.673 -25.535 1.00 0.00 H new ATOM 0 HG3 ARG A 98 80.321 46.723 -25.427 1.00 0.00 H new ATOM 0 HD2 ARG A 98 79.930 49.160 -27.031 1.00 0.00 H new ATOM 0 HD3 ARG A 98 81.226 48.165 -27.663 1.00 0.00 H new ATOM 0 HE ARG A 98 79.203 46.332 -27.204 1.00 0.00 H new ATOM 0 HH11 ARG A 98 79.257 49.346 -29.061 1.00 0.00 H new ATOM 0 HH12 ARG A 98 78.045 48.740 -30.195 1.00 0.00 H new ATOM 0 HH21 ARG A 98 77.718 45.659 -28.669 1.00 0.00 H new ATOM 0 HH22 ARG A 98 77.203 46.725 -29.980 1.00 0.00 H new ATOM 1245 N LEU A 99 77.576 46.686 -24.987 1.00 0.00 N ATOM 1246 CA LEU A 99 76.942 45.361 -24.901 1.00 0.00 C ATOM 1247 C LEU A 99 77.659 44.377 -25.841 1.00 0.00 C ATOM 1248 O LEU A 99 77.924 44.723 -26.993 1.00 0.00 O ATOM 1249 CB LEU A 99 75.461 45.581 -25.269 1.00 0.00 C ATOM 1250 CG LEU A 99 74.428 44.448 -25.116 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.541 43.466 -26.286 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.460 43.753 -23.755 1.00 0.00 C ATOM 0 H LEU A 99 77.659 47.006 -25.952 1.00 0.00 H new ATOM 0 HA LEU A 99 77.012 44.919 -23.907 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.105 46.420 -24.672 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.435 45.898 -26.312 1.00 0.00 H new ATOM 0 HG LEU A 99 73.442 44.912 -25.151 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.806 42.670 -26.166 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.356 43.993 -27.222 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.542 43.035 -26.304 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.703 42.969 -23.729 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.444 43.313 -23.594 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.255 44.481 -22.970 1.00 0.00 H new ATOM 1264 N ASP A 100 77.974 43.168 -25.375 1.00 0.00 N ATOM 1265 CA ASP A 100 78.593 42.108 -26.191 1.00 0.00 C ATOM 1266 C ASP A 100 78.169 40.711 -25.699 1.00 0.00 C ATOM 1267 O ASP A 100 78.159 40.455 -24.494 1.00 0.00 O ATOM 1268 CB ASP A 100 80.123 42.270 -26.165 1.00 0.00 C ATOM 1269 CG ASP A 100 80.868 41.300 -27.104 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.262 40.787 -28.075 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.081 41.072 -26.882 1.00 0.00 O ATOM 0 H ASP A 100 77.807 42.888 -24.409 1.00 0.00 H new ATOM 0 HA ASP A 100 78.247 42.203 -27.220 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.375 43.294 -26.441 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.478 42.118 -25.146 1.00 0.00 H new ATOM 1276 N MET A 101 77.794 39.819 -26.624 1.00 0.00 N ATOM 1277 CA MET A 101 77.194 38.502 -26.337 1.00 0.00 C ATOM 1278 C MET A 101 77.863 37.325 -27.077 1.00 0.00 C ATOM 1279 O MET A 101 77.426 36.182 -26.922 1.00 0.00 O ATOM 1280 CB MET A 101 75.687 38.557 -26.646 1.00 0.00 C ATOM 1281 CG MET A 101 74.929 39.513 -25.720 1.00 0.00 C ATOM 1282 SD MET A 101 73.170 39.633 -26.124 1.00 0.00 S ATOM 1283 CE MET A 101 72.610 40.708 -24.782 1.00 0.00 C ATOM 0 H MET A 101 77.901 39.995 -27.623 1.00 0.00 H new ATOM 0 HA MET A 101 77.362 38.302 -25.279 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.543 38.869 -27.680 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.264 37.557 -26.553 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.038 39.176 -24.689 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.379 40.504 -25.781 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.758 40.250 -24.280 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.420 40.848 -24.066 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.314 41.675 -25.190 1.00 0.00 H new ATOM 1293 N SER A 102 78.918 37.568 -27.863 1.00 0.00 N ATOM 1294 CA SER A 102 79.719 36.505 -28.496 1.00 0.00 C ATOM 1295 C SER A 102 80.419 35.640 -27.441 1.00 0.00 C ATOM 1296 O SER A 102 80.809 36.141 -26.387 1.00 0.00 O ATOM 1297 CB SER A 102 80.751 37.102 -29.460 1.00 0.00 C ATOM 1298 OG SER A 102 80.094 37.763 -30.534 1.00 0.00 O ATOM 0 H SER A 102 79.244 38.510 -28.081 1.00 0.00 H new ATOM 0 HA SER A 102 79.038 35.870 -29.064 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.392 37.805 -28.928 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.396 36.314 -29.848 1.00 0.00 H new ATOM 0 HG SER A 102 80.762 38.142 -31.143 1.00 0.00 H new ATOM 1304 N ASP A 103 80.609 34.344 -27.707 1.00 0.00 N ATOM 1305 CA ASP A 103 80.997 33.363 -26.676 1.00 0.00 C ATOM 1306 C ASP A 103 82.314 33.675 -25.950 1.00 0.00 C ATOM 1307 O ASP A 103 82.435 33.370 -24.765 1.00 0.00 O ATOM 1308 CB ASP A 103 81.035 31.958 -27.286 1.00 0.00 C ATOM 1309 CG ASP A 103 79.617 31.398 -27.442 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.033 30.924 -26.442 1.00 0.00 O ATOM 1311 OD2 ASP A 103 79.052 31.417 -28.560 1.00 0.00 O ATOM 0 H ASP A 103 80.500 33.942 -28.638 1.00 0.00 H new ATOM 0 HA ASP A 103 80.231 33.423 -25.903 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.527 31.991 -28.258 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.625 31.296 -26.652 1.00 0.00 H new ATOM 1316 N LYS A 104 83.258 34.382 -26.589 1.00 0.00 N ATOM 1317 CA LYS A 104 84.488 34.875 -25.938 1.00 0.00 C ATOM 1318 C LYS A 104 84.201 35.761 -24.717 1.00 0.00 C ATOM 1319 O LYS A 104 84.874 35.622 -23.699 1.00 0.00 O ATOM 1320 CB LYS A 104 85.363 35.617 -26.965 1.00 0.00 C ATOM 1321 CG LYS A 104 85.960 34.668 -28.018 1.00 0.00 C ATOM 1322 CD LYS A 104 86.898 35.427 -28.971 1.00 0.00 C ATOM 1323 CE LYS A 104 87.623 34.504 -29.964 1.00 0.00 C ATOM 1324 NZ LYS A 104 86.713 33.937 -31.003 1.00 0.00 N ATOM 0 H LYS A 104 83.192 34.631 -27.576 1.00 0.00 H new ATOM 0 HA LYS A 104 85.029 34.006 -25.563 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.766 36.380 -27.464 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.170 36.133 -26.445 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.509 33.867 -27.522 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.158 34.199 -28.588 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.321 36.167 -29.526 1.00 0.00 H new ATOM 0 HD3 LYS A 104 87.637 35.973 -28.385 1.00 0.00 H new ATOM 0 HE2 LYS A 104 88.422 35.061 -30.453 1.00 0.00 H new ATOM 0 HE3 LYS A 104 88.093 33.688 -29.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 87.257 33.324 -31.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 85.965 33.380 -30.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 86.283 34.711 -31.548 1.00 0.00 H new ATOM 1338 N ALA A 105 83.156 36.592 -24.767 1.00 0.00 N ATOM 1339 CA ALA A 105 82.702 37.398 -23.627 1.00 0.00 C ATOM 1340 C ALA A 105 82.206 36.525 -22.464 1.00 0.00 C ATOM 1341 O ALA A 105 82.471 36.823 -21.299 1.00 0.00 O ATOM 1342 CB ALA A 105 81.624 38.380 -24.110 1.00 0.00 C ATOM 0 H ALA A 105 82.595 36.726 -25.608 1.00 0.00 H new ATOM 0 HA ALA A 105 83.547 37.962 -23.233 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.280 38.984 -23.271 1.00 0.00 H new ATOM 0 HB2 ALA A 105 82.042 39.031 -24.878 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.784 37.823 -24.525 1.00 0.00 H new ATOM 1348 N ILE A 106 81.539 35.412 -22.778 1.00 0.00 N ATOM 1349 CA ILE A 106 80.995 34.473 -21.791 1.00 0.00 C ATOM 1350 C ILE A 106 82.140 33.674 -21.168 1.00 0.00 C ATOM 1351 O ILE A 106 82.231 33.629 -19.948 1.00 0.00 O ATOM 1352 CB ILE A 106 79.884 33.596 -22.423 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.571 34.385 -22.633 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.542 32.373 -21.549 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.651 35.629 -23.530 1.00 0.00 C ATOM 0 H ILE A 106 81.358 35.132 -23.742 1.00 0.00 H new ATOM 0 HA ILE A 106 80.509 35.014 -20.979 1.00 0.00 H new ATOM 0 HB ILE A 106 80.289 33.273 -23.382 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.830 33.707 -23.057 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.199 34.693 -21.656 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.759 31.788 -22.032 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.431 31.755 -21.424 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.194 32.710 -20.573 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.667 36.093 -23.598 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.359 36.340 -23.104 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.984 35.338 -24.526 1.00 0.00 H new ATOM 1367 N PHE A 107 83.072 33.147 -21.967 1.00 0.00 N ATOM 1368 CA PHE A 107 84.274 32.466 -21.460 1.00 0.00 C ATOM 1369 C PHE A 107 85.096 33.358 -20.514 1.00 0.00 C ATOM 1370 O PHE A 107 85.527 32.913 -19.450 1.00 0.00 O ATOM 1371 CB PHE A 107 85.194 32.063 -22.623 1.00 0.00 C ATOM 1372 CG PHE A 107 84.627 31.220 -23.748 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.540 30.343 -23.559 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.245 31.306 -25.008 1.00 0.00 C ATOM 1375 CE1 PHE A 107 83.079 29.554 -24.630 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.784 30.520 -26.079 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.705 29.638 -25.888 1.00 0.00 C ATOM 0 H PHE A 107 83.017 33.179 -22.985 1.00 0.00 H new ATOM 0 HA PHE A 107 83.919 31.591 -20.915 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.588 32.979 -23.064 1.00 0.00 H new ATOM 0 HB3 PHE A 107 86.041 31.522 -22.201 1.00 0.00 H new ATOM 0 HD1 PHE A 107 83.061 30.276 -22.593 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.077 31.979 -25.154 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.244 28.884 -24.486 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.258 30.593 -27.047 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.357 29.025 -26.706 1.00 0.00 H new ATOM 1387 N ARG A 108 85.320 34.622 -20.903 1.00 0.00 N ATOM 1388 CA ARG A 108 86.186 35.565 -20.188 1.00 0.00 C ATOM 1389 C ARG A 108 85.537 36.090 -18.902 1.00 0.00 C ATOM 1390 O ARG A 108 86.227 36.212 -17.891 1.00 0.00 O ATOM 1391 CB ARG A 108 86.593 36.642 -21.213 1.00 0.00 C ATOM 1392 CG ARG A 108 87.832 37.481 -20.865 1.00 0.00 C ATOM 1393 CD ARG A 108 87.567 38.822 -20.159 1.00 0.00 C ATOM 1394 NE ARG A 108 87.311 38.669 -18.713 1.00 0.00 N ATOM 1395 CZ ARG A 108 87.016 39.621 -17.847 1.00 0.00 C ATOM 1396 NH1 ARG A 108 86.931 40.875 -18.194 1.00 0.00 N ATOM 1397 NH2 ARG A 108 86.796 39.318 -16.601 1.00 0.00 N ATOM 0 H ARG A 108 84.895 35.023 -21.739 1.00 0.00 H new ATOM 0 HA ARG A 108 87.089 35.086 -19.810 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.769 36.153 -22.171 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.750 37.319 -21.351 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.484 36.882 -20.229 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.380 37.681 -21.786 1.00 0.00 H new ATOM 0 HD2 ARG A 108 88.425 39.479 -20.304 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.711 39.309 -20.625 1.00 0.00 H new ATOM 0 HE ARG A 108 87.369 37.721 -18.341 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.095 41.148 -19.163 1.00 0.00 H new ATOM 0 HH12 ARG A 108 86.701 41.583 -17.496 1.00 0.00 H new ATOM 0 HH21 ARG A 108 86.852 38.347 -16.295 1.00 0.00 H new ATOM 0 HH22 ARG A 108 86.568 40.052 -15.930 1.00 0.00 H new ATOM 1411 N ARG A 109 84.224 36.364 -18.910 1.00 0.00 N ATOM 1412 CA ARG A 109 83.466 36.803 -17.716 1.00 0.00 C ATOM 1413 C ARG A 109 83.106 35.641 -16.773 1.00 0.00 C ATOM 1414 O ARG A 109 83.120 35.814 -15.556 1.00 0.00 O ATOM 1415 CB ARG A 109 82.228 37.586 -18.190 1.00 0.00 C ATOM 1416 CG ARG A 109 81.452 38.236 -17.033 1.00 0.00 C ATOM 1417 CD ARG A 109 80.319 39.144 -17.528 1.00 0.00 C ATOM 1418 NE ARG A 109 80.838 40.429 -18.049 1.00 0.00 N ATOM 1419 CZ ARG A 109 80.891 40.859 -19.298 1.00 0.00 C ATOM 1420 NH1 ARG A 109 80.542 40.116 -20.311 1.00 0.00 N ATOM 1421 NH2 ARG A 109 81.309 42.065 -19.552 1.00 0.00 N ATOM 0 H ARG A 109 83.649 36.288 -19.749 1.00 0.00 H new ATOM 0 HA ARG A 109 84.098 37.455 -17.113 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.540 38.360 -18.891 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.565 36.913 -18.733 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.037 37.457 -16.394 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.139 38.818 -16.420 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.758 38.633 -18.311 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.623 39.336 -16.711 1.00 0.00 H new ATOM 0 HE ARG A 109 81.206 41.071 -17.347 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.213 39.163 -20.155 1.00 0.00 H new ATOM 0 HH12 ARG A 109 80.598 40.487 -21.259 1.00 0.00 H new ATOM 0 HH21 ARG A 109 81.595 42.677 -18.788 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.350 42.398 -20.515 1.00 0.00 H new ATOM 1435 N TYR A 110 82.828 34.464 -17.337 1.00 0.00 N ATOM 1436 CA TYR A 110 82.351 33.261 -16.649 1.00 0.00 C ATOM 1437 C TYR A 110 83.230 32.040 -17.007 1.00 0.00 C ATOM 1438 O TYR A 110 82.838 31.203 -17.826 1.00 0.00 O ATOM 1439 CB TYR A 110 80.866 33.047 -16.999 1.00 0.00 C ATOM 1440 CG TYR A 110 79.967 34.239 -16.733 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.766 34.687 -15.414 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.346 34.905 -17.806 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.957 35.818 -15.171 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.508 36.010 -17.563 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.313 36.473 -16.245 1.00 0.00 C ATOM 1446 OH TYR A 110 77.509 37.548 -16.026 1.00 0.00 O ATOM 0 H TYR A 110 82.935 34.316 -18.340 1.00 0.00 H new ATOM 0 HA TYR A 110 82.433 33.386 -15.569 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.791 32.783 -18.054 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.493 32.195 -16.430 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.230 34.166 -14.589 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.513 34.568 -18.818 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.830 36.183 -14.163 1.00 0.00 H new ATOM 0 HE2 TYR A 110 78.014 36.504 -18.387 1.00 0.00 H new ATOM 0 HH TYR A 110 77.153 37.869 -16.880 1.00 0.00 H new ATOM 1456 N PRO A 111 84.431 31.902 -16.406 1.00 0.00 N ATOM 1457 CA PRO A 111 85.399 30.860 -16.777 1.00 0.00 C ATOM 1458 C PRO A 111 84.933 29.426 -16.468 1.00 0.00 C ATOM 1459 O PRO A 111 85.480 28.470 -17.023 1.00 0.00 O ATOM 1460 CB PRO A 111 86.689 31.224 -16.031 1.00 0.00 C ATOM 1461 CG PRO A 111 86.194 32.007 -14.818 1.00 0.00 C ATOM 1462 CD PRO A 111 84.993 32.766 -15.376 1.00 0.00 C ATOM 0 HA PRO A 111 85.538 30.843 -17.858 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.245 30.335 -15.734 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.355 31.824 -16.651 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.911 31.347 -13.998 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.957 32.683 -14.433 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.262 32.972 -14.595 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.295 33.727 -15.792 1.00 0.00 H new ATOM 1470 N HIS A 112 83.902 29.257 -15.628 1.00 0.00 N ATOM 1471 CA HIS A 112 83.254 27.965 -15.368 1.00 0.00 C ATOM 1472 C HIS A 112 82.361 27.483 -16.527 1.00 0.00 C ATOM 1473 O HIS A 112 82.103 26.283 -16.654 1.00 0.00 O ATOM 1474 CB HIS A 112 82.421 28.092 -14.086 1.00 0.00 C ATOM 1475 CG HIS A 112 81.093 28.789 -14.280 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.900 30.114 -14.694 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.878 28.184 -14.146 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.565 30.279 -14.762 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.939 29.145 -14.429 1.00 0.00 N ATOM 0 H HIS A 112 83.489 30.027 -15.102 1.00 0.00 H new ATOM 0 HA HIS A 112 84.039 27.217 -15.260 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.241 27.096 -13.682 1.00 0.00 H new ATOM 0 HB3 HIS A 112 83.000 28.638 -13.341 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.692 27.156 -13.872 1.00 0.00 H new ATOM 0 HE1 HIS A 112 79.070 31.196 -15.045 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.928 29.015 -14.391 1.00 0.00 H new ATOM 1487 N LEU A 113 81.875 28.413 -17.358 1.00 0.00 N ATOM 1488 CA LEU A 113 80.880 28.191 -18.400 1.00 0.00 C ATOM 1489 C LEU A 113 81.507 27.625 -19.699 1.00 0.00 C ATOM 1490 O LEU A 113 80.841 26.901 -20.444 1.00 0.00 O ATOM 1491 CB LEU A 113 80.173 29.553 -18.602 1.00 0.00 C ATOM 1492 CG LEU A 113 78.664 29.535 -18.877 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.329 28.681 -20.088 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.840 29.086 -17.680 1.00 0.00 C ATOM 0 H LEU A 113 82.183 29.384 -17.316 1.00 0.00 H new ATOM 0 HA LEU A 113 80.158 27.428 -18.109 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.345 30.156 -17.711 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.660 30.065 -19.432 1.00 0.00 H new ATOM 0 HG LEU A 113 78.393 30.570 -19.084 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.252 28.691 -20.253 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.835 29.081 -20.967 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.660 27.657 -19.914 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.782 29.096 -17.942 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.134 28.076 -17.395 1.00 0.00 H new ATOM 0 HD23 LEU A 113 78.013 29.764 -16.844 1.00 0.00 H new ATOM 1506 N ARG A 114 82.794 27.922 -19.951 1.00 0.00 N ATOM 1507 CA ARG A 114 83.579 27.405 -21.090 1.00 0.00 C ATOM 1508 C ARG A 114 83.685 25.868 -21.077 1.00 0.00 C ATOM 1509 O ARG A 114 84.112 25.289 -20.050 1.00 0.00 O ATOM 1510 CB ARG A 114 84.967 28.071 -21.104 1.00 0.00 C ATOM 1511 CG ARG A 114 85.789 27.667 -22.344 1.00 0.00 C ATOM 1512 CD ARG A 114 87.164 28.344 -22.388 1.00 0.00 C ATOM 1513 NE ARG A 114 88.047 27.883 -21.298 1.00 0.00 N ATOM 1514 CZ ARG A 114 89.280 28.286 -21.057 1.00 0.00 C ATOM 1515 NH1 ARG A 114 89.878 29.176 -21.796 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.948 27.789 -20.057 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.361 25.241 -22.113 1.00 0.00 O ATOM 0 H ARG A 114 83.334 28.546 -19.352 1.00 0.00 H new ATOM 0 HA ARG A 114 83.055 27.662 -22.011 1.00 0.00 H new ATOM 0 HB2 ARG A 114 84.849 29.154 -21.084 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.512 27.793 -20.202 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.921 26.585 -22.351 1.00 0.00 H new ATOM 0 HG3 ARG A 114 85.232 27.926 -23.244 1.00 0.00 H new ATOM 0 HD2 ARG A 114 87.637 28.139 -23.348 1.00 0.00 H new ATOM 0 HD3 ARG A 114 87.038 29.424 -22.319 1.00 0.00 H new ATOM 0 HE ARG A 114 87.664 27.180 -20.666 1.00 0.00 H new ATOM 0 HH11 ARG A 114 89.392 29.587 -22.593 1.00 0.00 H new ATOM 0 HH12 ARG A 114 90.832 29.462 -21.578 1.00 0.00 H new ATOM 0 HH21 ARG A 114 89.519 27.085 -19.456 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.901 28.103 -19.874 1.00 0.00 H new TER 1531 ARG A 114