USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 763 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 13 GLN :FLIP amide:sc= -0.469 F(o=-4.3,f=-3.1) USER MOD Set 1.2: A 16 GLN : amide:sc= -2.61 K(o=-3.1,f=-5.3!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 15 MET CE :methyl 157:sc= -0.0607 (180deg=-0.562) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc=-0.00835 (180deg=-0.27) USER MOD Single : A 34 MET CE :methyl -137:sc= -0.412 (180deg=-4.78!) USER MOD Single : A 35 MET CE :methyl 137:sc= -0.255 (180deg=-1.29!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 165:sc= -0.571 (180deg=-1.05) USER MOD Single : A 44 SER OG : rot -71:sc= 1.25 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 25:sc= 1.15 USER MOD Single : A 58 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.9) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -0.139 (180deg=-0.747) USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= -0.0309 (180deg=-0.4) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 76 SER OG : rot -69:sc= 0.468 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.147) USER MOD Single : A 87 MET CE :methyl 174:sc= -1.8 (180deg=-2.45!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N GLN A 9 -9.962 134.763 122.833 1.00 0.00 N ATOM 16 CA GLN A 9 -11.083 135.094 123.709 1.00 0.00 C ATOM 17 C GLN A 9 -12.350 135.418 122.911 1.00 0.00 C ATOM 18 O GLN A 9 -13.457 135.080 123.330 1.00 0.00 O ATOM 19 CB GLN A 9 -10.724 136.285 124.601 1.00 0.00 C ATOM 20 CG GLN A 9 -9.567 135.900 125.526 1.00 0.00 C ATOM 21 CD GLN A 9 -9.168 137.095 126.386 1.00 0.00 C ATOM 22 OE1 GLN A 9 -9.528 138.231 126.077 1.00 0.00 O ATOM 23 NE2 GLN A 9 -8.440 136.905 127.452 1.00 0.00 N ATOM 0 HA GLN A 9 -11.284 134.218 124.326 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.443 137.141 123.987 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.590 136.586 125.190 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.861 135.065 126.162 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.714 135.565 124.936 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.143 135.963 127.706 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.168 137.699 128.032 1.00 0.00 H new ATOM 32 N ARG A 10 -12.185 136.099 121.778 1.00 0.00 N ATOM 33 CA ARG A 10 -13.333 136.488 120.958 1.00 0.00 C ATOM 34 C ARG A 10 -14.104 135.278 120.439 1.00 0.00 C ATOM 35 O ARG A 10 -15.333 135.270 120.458 1.00 0.00 O ATOM 36 CB ARG A 10 -12.859 137.320 119.765 1.00 0.00 C ATOM 37 CG ARG A 10 -12.148 138.591 120.257 1.00 0.00 C ATOM 38 CD ARG A 10 -13.146 139.572 120.910 1.00 0.00 C ATOM 39 NE ARG A 10 -13.312 139.257 122.324 1.00 0.00 N ATOM 40 CZ ARG A 10 -12.342 139.497 123.200 1.00 0.00 C ATOM 41 NH1 ARG A 10 -12.514 139.207 124.461 1.00 0.00 N1+ ATOM 42 NH2 ARG A 10 -11.216 140.023 122.801 1.00 0.00 N ATOM 0 H ARG A 10 -11.280 136.390 121.410 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.000 137.072 121.592 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.181 136.731 119.147 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.709 137.589 119.138 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.374 138.323 120.976 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.649 139.079 119.420 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.787 140.595 120.798 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.109 139.514 120.402 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.188 138.845 122.646 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.393 138.796 124.774 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.769 139.391 125.133 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.080 140.250 121.816 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.472 140.207 123.474 1.00 0.00 H new ATOM 56 N VAL A 11 -13.387 134.262 119.979 1.00 0.00 N ATOM 57 CA VAL A 11 -14.047 133.070 119.463 1.00 0.00 C ATOM 58 C VAL A 11 -14.790 132.357 120.581 1.00 0.00 C ATOM 59 O VAL A 11 -15.887 131.842 120.377 1.00 0.00 O ATOM 60 CB VAL A 11 -13.042 132.125 118.797 1.00 0.00 C ATOM 61 CG1 VAL A 11 -12.549 132.748 117.490 1.00 0.00 C ATOM 62 CG2 VAL A 11 -11.849 131.897 119.722 1.00 0.00 C ATOM 0 H VAL A 11 -12.368 134.237 119.952 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.765 133.380 118.704 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.530 131.172 118.594 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.834 132.077 117.014 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.395 132.909 116.822 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.067 133.702 117.701 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.139 131.224 119.241 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.362 132.850 119.930 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.193 131.454 120.657 1.00 0.00 H new ATOM 72 N ALA A 12 -14.196 132.347 121.767 1.00 0.00 N ATOM 73 CA ALA A 12 -14.831 131.708 122.907 1.00 0.00 C ATOM 74 C ALA A 12 -16.153 132.398 123.203 1.00 0.00 C ATOM 75 O ALA A 12 -17.135 131.756 123.569 1.00 0.00 O ATOM 76 CB ALA A 12 -13.918 131.786 124.133 1.00 0.00 C ATOM 0 H ALA A 12 -13.288 132.768 121.962 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.013 130.659 122.673 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -14.405 131.304 124.981 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.977 131.279 123.919 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.721 132.831 124.374 1.00 0.00 H new ATOM 82 N GLN A 13 -16.162 133.713 123.027 1.00 0.00 N ATOM 83 CA GLN A 13 -17.365 134.504 123.259 1.00 0.00 C ATOM 84 C GLN A 13 -18.446 134.118 122.271 1.00 0.00 C ATOM 85 O GLN A 13 -19.616 133.988 122.631 1.00 0.00 O ATOM 86 CB GLN A 13 -17.038 135.985 123.090 1.00 0.00 C ATOM 87 CG GLN A 13 -18.205 136.839 123.594 1.00 0.00 C ATOM 88 CD GLN A 13 -18.265 136.789 125.116 1.00 0.00 C ATOM 89 OE1 GLN A 13 -19.275 136.206 125.702 1.00 0.00 O flip ATOM 90 NE2 GLN A 13 -17.367 137.292 125.790 1.00 0.00 N flip ATOM 0 H GLN A 13 -15.352 134.254 122.725 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.722 134.314 124.271 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.131 136.231 123.642 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.842 136.205 122.041 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.084 137.869 123.260 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.142 136.475 123.172 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.578 137.747 125.330 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.411 137.254 126.808 1.00 0.00 H new ATOM 99 N GLU A 14 -18.047 133.924 121.020 1.00 0.00 N ATOM 100 CA GLU A 14 -19.001 133.541 120.001 1.00 0.00 C ATOM 101 C GLU A 14 -19.598 132.210 120.391 1.00 0.00 C ATOM 102 O GLU A 14 -20.795 131.979 120.245 1.00 0.00 O ATOM 103 CB GLU A 14 -18.306 133.422 118.644 1.00 0.00 C ATOM 104 CG GLU A 14 -17.821 134.800 118.197 1.00 0.00 C ATOM 105 CD GLU A 14 -17.174 134.704 116.819 1.00 0.00 C ATOM 106 OE1 GLU A 14 -16.979 133.593 116.354 1.00 0.00 O ATOM 107 OE2 GLU A 14 -16.882 135.742 116.250 1.00 0.00 O1- ATOM 0 H GLU A 14 -17.085 134.025 120.696 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.782 134.297 119.920 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.464 132.733 118.714 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.994 133.010 117.906 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.658 135.497 118.167 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -17.104 135.194 118.918 1.00 0.00 H new ATOM 114 N MET A 15 -18.748 131.353 120.931 1.00 0.00 N ATOM 115 CA MET A 15 -19.191 130.048 121.390 1.00 0.00 C ATOM 116 C MET A 15 -20.035 130.205 122.642 1.00 0.00 C ATOM 117 O MET A 15 -21.043 129.526 122.815 1.00 0.00 O ATOM 118 CB MET A 15 -17.988 129.140 121.665 1.00 0.00 C ATOM 119 CG MET A 15 -17.281 128.829 120.344 1.00 0.00 C ATOM 120 SD MET A 15 -15.964 127.609 120.616 1.00 0.00 S ATOM 121 CE MET A 15 -16.999 126.140 120.858 1.00 0.00 C ATOM 0 H MET A 15 -17.753 131.536 121.062 1.00 0.00 H new ATOM 0 HA MET A 15 -19.796 129.585 120.611 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.299 129.628 122.354 1.00 0.00 H new ATOM 0 HB3 MET A 15 -18.316 128.216 122.142 1.00 0.00 H new ATOM 0 HG2 MET A 15 -17.999 128.445 119.619 1.00 0.00 H new ATOM 0 HG3 MET A 15 -16.861 129.742 119.923 1.00 0.00 H new ATOM 0 HE1 MET A 15 -16.418 125.245 120.636 1.00 0.00 H new ATOM 0 HE2 MET A 15 -17.342 126.103 121.892 1.00 0.00 H new ATOM 0 HE3 MET A 15 -17.860 126.188 120.191 1.00 0.00 H new ATOM 131 N GLN A 16 -19.626 131.127 123.504 1.00 0.00 N ATOM 132 CA GLN A 16 -20.364 131.383 124.733 1.00 0.00 C ATOM 133 C GLN A 16 -21.796 131.734 124.399 1.00 0.00 C ATOM 134 O GLN A 16 -22.733 131.265 125.042 1.00 0.00 O ATOM 135 CB GLN A 16 -19.723 132.536 125.507 1.00 0.00 C ATOM 136 CG GLN A 16 -20.466 132.739 126.830 1.00 0.00 C ATOM 137 CD GLN A 16 -19.760 133.800 127.667 1.00 0.00 C ATOM 138 OE1 GLN A 16 -18.667 134.244 127.315 1.00 0.00 O ATOM 139 NE2 GLN A 16 -20.323 134.235 128.761 1.00 0.00 N ATOM 0 H GLN A 16 -18.795 131.705 123.377 1.00 0.00 H new ATOM 0 HA GLN A 16 -20.340 130.486 125.352 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -18.672 132.320 125.698 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.758 133.450 124.914 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.495 133.042 126.636 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.509 131.799 127.380 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.229 133.865 129.050 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.857 134.945 129.327 1.00 0.00 H new ATOM 148 N LYS A 17 -21.954 132.552 123.373 1.00 0.00 N ATOM 149 CA LYS A 17 -23.276 132.949 122.936 1.00 0.00 C ATOM 150 C LYS A 17 -24.053 131.738 122.460 1.00 0.00 C ATOM 151 O LYS A 17 -25.221 131.562 122.799 1.00 0.00 O ATOM 152 CB LYS A 17 -23.165 133.974 121.806 1.00 0.00 C ATOM 153 CG LYS A 17 -24.565 134.361 121.326 1.00 0.00 C ATOM 154 CD LYS A 17 -24.462 135.491 120.301 1.00 0.00 C ATOM 155 CE LYS A 17 -25.865 135.986 119.946 1.00 0.00 C ATOM 156 NZ LYS A 17 -25.796 136.841 118.726 1.00 0.00 N1+ ATOM 0 H LYS A 17 -21.187 132.951 122.832 1.00 0.00 H new ATOM 0 HA LYS A 17 -23.805 133.400 123.776 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -22.632 134.858 122.154 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -22.588 133.559 120.980 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -25.060 133.497 120.882 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -25.176 134.678 122.171 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -23.867 136.310 120.705 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -23.952 135.138 119.405 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -26.528 135.139 119.772 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -26.284 136.553 120.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -26.750 137.178 118.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -25.176 137.656 118.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -25.414 136.286 117.934 1.00 0.00 H new ATOM 170 N GLU A 18 -23.395 130.913 121.668 1.00 0.00 N ATOM 171 CA GLU A 18 -24.034 129.713 121.140 1.00 0.00 C ATOM 172 C GLU A 18 -24.403 128.792 122.275 1.00 0.00 C ATOM 173 O GLU A 18 -25.436 128.124 122.256 1.00 0.00 O ATOM 174 CB GLU A 18 -23.090 128.999 120.175 1.00 0.00 C ATOM 175 CG GLU A 18 -22.919 129.849 118.919 1.00 0.00 C ATOM 176 CD GLU A 18 -21.939 129.182 117.961 1.00 0.00 C ATOM 177 OE1 GLU A 18 -21.232 128.287 118.396 1.00 0.00 O ATOM 178 OE2 GLU A 18 -21.908 129.575 116.807 1.00 0.00 O1- ATOM 0 H GLU A 18 -22.427 131.046 121.376 1.00 0.00 H new ATOM 0 HA GLU A 18 -24.938 129.998 120.602 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -22.123 128.832 120.650 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -23.490 128.019 119.914 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.883 129.984 118.429 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.557 130.841 119.189 1.00 0.00 H new ATOM 185 N ILE A 19 -23.556 128.797 123.281 1.00 0.00 N ATOM 186 CA ILE A 19 -23.803 127.988 124.466 1.00 0.00 C ATOM 187 C ILE A 19 -24.965 128.593 125.227 1.00 0.00 C ATOM 188 O ILE A 19 -25.853 127.892 125.703 1.00 0.00 O ATOM 189 CB ILE A 19 -22.547 127.920 125.355 1.00 0.00 C ATOM 190 CG1 ILE A 19 -21.468 127.082 124.653 1.00 0.00 C ATOM 191 CG2 ILE A 19 -22.891 127.277 126.705 1.00 0.00 C ATOM 192 CD1 ILE A 19 -20.105 127.326 125.311 1.00 0.00 C ATOM 0 H ILE A 19 -22.696 129.345 123.308 1.00 0.00 H new ATOM 0 HA ILE A 19 -24.047 126.968 124.169 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.177 128.931 125.525 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -21.724 126.024 124.709 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -21.423 127.344 123.596 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -21.996 127.234 127.326 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.653 127.872 127.208 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -23.268 126.268 126.542 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -19.346 126.728 124.807 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -19.847 128.382 125.232 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.152 127.042 126.362 1.00 0.00 H new ATOM 204 N ALA A 20 -24.951 129.914 125.298 1.00 0.00 N ATOM 205 CA ALA A 20 -25.998 130.657 125.964 1.00 0.00 C ATOM 206 C ALA A 20 -27.299 130.457 125.221 1.00 0.00 C ATOM 207 O ALA A 20 -28.374 130.386 125.817 1.00 0.00 O ATOM 208 CB ALA A 20 -25.647 132.146 126.000 1.00 0.00 C ATOM 0 H ALA A 20 -24.215 130.495 124.896 1.00 0.00 H new ATOM 0 HA ALA A 20 -26.100 130.297 126.988 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.442 132.695 126.504 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -24.711 132.286 126.540 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -25.537 132.519 124.982 1.00 0.00 H new ATOM 214 N LEU A 21 -27.182 130.383 123.904 1.00 0.00 N ATOM 215 CA LEU A 21 -28.344 130.209 123.060 1.00 0.00 C ATOM 216 C LEU A 21 -29.058 128.909 123.395 1.00 0.00 C ATOM 217 O LEU A 21 -30.260 128.903 123.660 1.00 0.00 O ATOM 218 CB LEU A 21 -27.908 130.197 121.589 1.00 0.00 C ATOM 219 CG LEU A 21 -29.123 130.120 120.643 1.00 0.00 C ATOM 220 CD1 LEU A 21 -29.941 131.428 120.702 1.00 0.00 C ATOM 221 CD2 LEU A 21 -28.611 129.890 119.217 1.00 0.00 C ATOM 0 H LEU A 21 -26.296 130.441 123.402 1.00 0.00 H new ATOM 0 HA LEU A 21 -29.032 131.036 123.233 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -27.332 131.096 121.371 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -27.251 129.346 121.410 1.00 0.00 H new ATOM 0 HG LEU A 21 -29.773 129.300 120.949 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -30.794 131.354 120.028 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -30.296 131.590 121.720 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -29.311 132.265 120.400 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -29.457 129.833 118.532 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -27.963 130.717 118.925 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -28.049 128.957 119.178 1.00 0.00 H new ATOM 233 N ILE A 22 -28.316 127.812 123.391 1.00 0.00 N ATOM 234 CA ILE A 22 -28.909 126.524 123.709 1.00 0.00 C ATOM 235 C ILE A 22 -29.275 126.459 125.181 1.00 0.00 C ATOM 236 O ILE A 22 -30.256 125.821 125.562 1.00 0.00 O ATOM 237 CB ILE A 22 -27.957 125.379 123.358 1.00 0.00 C ATOM 238 CG1 ILE A 22 -27.621 125.451 121.865 1.00 0.00 C ATOM 239 CG2 ILE A 22 -28.649 124.044 123.666 1.00 0.00 C ATOM 240 CD1 ILE A 22 -26.567 124.395 121.513 1.00 0.00 C ATOM 0 H ILE A 22 -27.319 127.787 123.175 1.00 0.00 H new ATOM 0 HA ILE A 22 -29.814 126.415 123.111 1.00 0.00 H new ATOM 0 HB ILE A 22 -27.040 125.459 123.942 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -28.522 125.289 121.273 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -27.250 126.445 121.615 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -27.978 123.221 123.419 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -28.901 124.001 124.725 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -29.559 123.961 123.072 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -26.334 124.453 120.450 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -25.662 124.577 122.093 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -26.954 123.403 121.746 1.00 0.00 H new ATOM 252 N LEU A 23 -28.465 127.105 126.008 1.00 0.00 N ATOM 253 CA LEU A 23 -28.707 127.088 127.447 1.00 0.00 C ATOM 254 C LEU A 23 -30.104 127.600 127.772 1.00 0.00 C ATOM 255 O LEU A 23 -30.788 127.046 128.628 1.00 0.00 O ATOM 256 CB LEU A 23 -27.663 127.952 128.172 1.00 0.00 C ATOM 257 CG LEU A 23 -27.807 127.835 129.703 1.00 0.00 C ATOM 258 CD1 LEU A 23 -27.425 126.414 130.181 1.00 0.00 C ATOM 259 CD2 LEU A 23 -26.879 128.872 130.355 1.00 0.00 C ATOM 0 H LEU A 23 -27.647 127.640 125.716 1.00 0.00 H new ATOM 0 HA LEU A 23 -28.625 126.056 127.788 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -26.661 127.643 127.874 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -27.778 128.994 127.872 1.00 0.00 H new ATOM 0 HG LEU A 23 -28.843 128.019 129.988 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -27.534 126.353 131.264 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -28.081 125.683 129.709 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.391 126.204 129.908 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -26.965 128.806 131.440 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -25.848 128.674 130.060 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -27.164 129.872 130.028 1.00 0.00 H new ATOM 271 N GLN A 24 -30.512 128.664 127.091 1.00 0.00 N ATOM 272 CA GLN A 24 -31.827 129.264 127.312 1.00 0.00 C ATOM 273 C GLN A 24 -32.913 128.530 126.532 1.00 0.00 C ATOM 274 O GLN A 24 -34.025 128.329 127.019 1.00 0.00 O ATOM 275 CB GLN A 24 -31.796 130.733 126.884 1.00 0.00 C ATOM 276 CG GLN A 24 -33.092 131.426 127.313 1.00 0.00 C ATOM 277 CD GLN A 24 -33.096 132.870 126.824 1.00 0.00 C ATOM 278 OE1 GLN A 24 -32.027 133.360 126.259 1.00 0.00 O flip ATOM 279 NE2 GLN A 24 -34.099 133.570 126.961 1.00 0.00 N flip ATOM 0 H GLN A 24 -29.951 129.132 126.379 1.00 0.00 H new ATOM 0 HA GLN A 24 -32.061 129.187 128.374 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -30.939 131.234 127.334 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -31.676 130.804 125.803 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.951 130.893 126.906 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -33.186 131.400 128.399 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -34.933 133.184 127.403 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -34.096 134.536 126.632 1.00 0.00 H new ATOM 288 N ARG A 25 -32.586 128.180 125.302 1.00 0.00 N ATOM 289 CA ARG A 25 -33.529 127.515 124.411 1.00 0.00 C ATOM 290 C ARG A 25 -33.835 126.081 124.826 1.00 0.00 C ATOM 291 O ARG A 25 -34.969 125.618 124.695 1.00 0.00 O ATOM 292 CB ARG A 25 -32.960 127.503 123.002 1.00 0.00 C ATOM 293 CG ARG A 25 -34.024 127.019 122.010 1.00 0.00 C ATOM 294 CD ARG A 25 -33.436 127.016 120.597 1.00 0.00 C ATOM 295 NE ARG A 25 -34.466 126.671 119.624 1.00 0.00 N ATOM 296 CZ ARG A 25 -34.204 126.658 118.321 1.00 0.00 C ATOM 297 NH1 ARG A 25 -35.141 126.346 117.470 1.00 0.00 N1+ ATOM 298 NH2 ARG A 25 -33.007 126.957 117.893 1.00 0.00 N ATOM 0 H ARG A 25 -31.667 128.345 124.891 1.00 0.00 H new ATOM 0 HA ARG A 25 -34.462 128.076 124.461 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -32.624 128.503 122.728 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -32.088 126.851 122.959 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -34.359 126.017 122.279 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -34.898 127.669 122.051 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -33.021 127.997 120.366 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -32.616 126.301 120.538 1.00 0.00 H new ATOM 0 HE ARG A 25 -35.404 126.436 119.949 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -36.076 126.112 117.804 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -34.939 126.336 116.470 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -32.273 127.200 118.559 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -32.806 126.947 116.893 1.00 0.00 H new ATOM 312 N GLU A 26 -32.824 125.374 125.288 1.00 0.00 N ATOM 313 CA GLU A 26 -33.003 123.981 125.677 1.00 0.00 C ATOM 314 C GLU A 26 -33.787 123.892 126.973 1.00 0.00 C ATOM 315 O GLU A 26 -34.299 122.833 127.334 1.00 0.00 O ATOM 316 CB GLU A 26 -31.631 123.309 125.832 1.00 0.00 C ATOM 317 CG GLU A 26 -31.783 121.795 126.078 1.00 0.00 C ATOM 318 CD GLU A 26 -32.061 121.499 127.553 1.00 0.00 C ATOM 319 OE1 GLU A 26 -31.967 122.410 128.359 1.00 0.00 O ATOM 320 OE2 GLU A 26 -32.367 120.357 127.855 1.00 0.00 O1- ATOM 0 H GLU A 26 -31.876 125.732 125.404 1.00 0.00 H new ATOM 0 HA GLU A 26 -33.566 123.463 124.901 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -31.036 123.477 124.934 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -31.091 123.764 126.662 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -32.596 121.404 125.466 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -30.874 121.280 125.766 1.00 0.00 H new ATOM 327 N ILE A 27 -33.897 125.023 127.669 1.00 0.00 N ATOM 328 CA ILE A 27 -34.643 125.083 128.950 1.00 0.00 C ATOM 329 C ILE A 27 -35.797 126.077 128.852 1.00 0.00 C ATOM 330 O ILE A 27 -35.666 127.138 128.244 1.00 0.00 O ATOM 331 CB ILE A 27 -33.698 125.511 130.086 1.00 0.00 C ATOM 332 CG1 ILE A 27 -34.405 125.335 131.439 1.00 0.00 C ATOM 333 CG2 ILE A 27 -33.289 126.985 129.908 1.00 0.00 C ATOM 334 CD1 ILE A 27 -33.395 125.538 132.571 1.00 0.00 C ATOM 0 H ILE A 27 -33.486 125.911 127.380 1.00 0.00 H new ATOM 0 HA ILE A 27 -35.045 124.092 129.161 1.00 0.00 H new ATOM 0 HB ILE A 27 -32.804 124.887 130.057 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -35.221 126.052 131.532 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -34.846 124.340 131.505 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -32.620 127.277 130.718 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -32.778 127.108 128.953 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -34.179 127.614 129.927 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -33.895 125.413 133.531 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -32.595 124.804 132.481 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -32.975 126.542 132.508 1.00 0.00 H new ATOM 346 N LYS A 28 -36.926 125.728 129.466 1.00 0.00 N ATOM 347 CA LYS A 28 -38.098 126.601 129.455 1.00 0.00 C ATOM 348 C LYS A 28 -38.004 127.596 130.608 1.00 0.00 C ATOM 349 O LYS A 28 -38.063 127.211 131.776 1.00 0.00 O ATOM 350 CB LYS A 28 -39.365 125.754 129.606 1.00 0.00 C ATOM 351 CG LYS A 28 -39.505 124.826 128.397 1.00 0.00 C ATOM 352 CD LYS A 28 -40.827 124.064 128.488 1.00 0.00 C ATOM 353 CE LYS A 28 -40.912 123.048 127.348 1.00 0.00 C ATOM 354 NZ LYS A 28 -39.961 121.930 127.608 1.00 0.00 N1+ ATOM 0 H LYS A 28 -37.054 124.853 129.974 1.00 0.00 H new ATOM 0 HA LYS A 28 -38.138 127.146 128.512 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -39.317 125.168 130.524 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -40.240 126.400 129.686 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -39.470 125.406 127.475 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -38.671 124.125 128.365 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -40.900 123.555 129.449 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -41.664 124.760 128.432 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -41.928 122.663 127.264 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -40.674 123.529 126.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -40.221 121.110 127.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -38.995 122.233 127.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -40.002 121.666 128.613 1.00 0.00 H new ATOM 368 N ASP A 29 -37.844 128.876 130.277 1.00 0.00 N ATOM 369 CA ASP A 29 -37.729 129.907 131.306 1.00 0.00 C ATOM 370 C ASP A 29 -39.048 130.087 132.072 1.00 0.00 C ATOM 371 O ASP A 29 -39.032 130.297 133.285 1.00 0.00 O ATOM 372 CB ASP A 29 -37.269 131.249 130.684 1.00 0.00 C ATOM 373 CG ASP A 29 -36.407 130.981 129.454 1.00 0.00 C ATOM 374 OD1 ASP A 29 -36.893 130.328 128.545 1.00 0.00 O ATOM 375 OD2 ASP A 29 -35.275 131.433 129.440 1.00 0.00 O1- ATOM 0 H ASP A 29 -37.792 129.221 129.318 1.00 0.00 H new ATOM 0 HA ASP A 29 -36.974 129.580 132.021 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -38.136 131.848 130.408 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -36.704 131.825 131.417 1.00 0.00 H new ATOM 380 N PRO A 30 -40.177 130.020 131.405 1.00 0.00 N ATOM 381 CA PRO A 30 -41.504 130.193 132.073 1.00 0.00 C ATOM 382 C PRO A 30 -41.688 129.251 133.268 1.00 0.00 C ATOM 383 O PRO A 30 -42.415 129.569 134.209 1.00 0.00 O ATOM 384 CB PRO A 30 -42.520 129.890 130.948 1.00 0.00 C ATOM 385 CG PRO A 30 -41.778 130.191 129.683 1.00 0.00 C ATOM 386 CD PRO A 30 -40.332 129.779 129.955 1.00 0.00 C ATOM 0 HA PRO A 30 -41.622 131.190 132.498 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -42.848 128.851 130.978 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -43.412 130.509 131.042 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -42.193 129.636 128.842 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -41.844 131.249 129.430 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -40.157 128.734 129.700 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -39.628 130.372 129.371 1.00 0.00 H new ATOM 394 N ARG A 31 -41.035 128.091 133.223 1.00 0.00 N ATOM 395 CA ARG A 31 -41.159 127.127 134.312 1.00 0.00 C ATOM 396 C ARG A 31 -40.695 127.745 135.630 1.00 0.00 C ATOM 397 O ARG A 31 -41.294 127.511 136.679 1.00 0.00 O ATOM 398 CB ARG A 31 -40.323 125.883 134.000 1.00 0.00 C ATOM 399 CG ARG A 31 -40.583 124.800 135.052 1.00 0.00 C ATOM 400 CD ARG A 31 -39.685 123.594 134.774 1.00 0.00 C ATOM 401 NE ARG A 31 -39.982 123.036 133.460 1.00 0.00 N ATOM 402 CZ ARG A 31 -41.019 122.227 133.274 1.00 0.00 C ATOM 403 NH1 ARG A 31 -41.263 121.740 132.088 1.00 0.00 N1+ ATOM 404 NH2 ARG A 31 -41.794 121.918 134.277 1.00 0.00 N ATOM 0 H ARG A 31 -40.426 127.800 132.459 1.00 0.00 H new ATOM 0 HA ARG A 31 -42.207 126.844 134.410 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -40.573 125.506 133.008 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -39.264 126.141 133.985 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -40.385 125.192 136.050 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -41.631 124.500 135.029 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -38.638 123.893 134.822 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -39.835 122.835 135.542 1.00 0.00 H new ATOM 0 HE ARG A 31 -39.382 123.271 132.669 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -40.657 121.981 131.303 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -42.059 121.119 131.946 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -41.604 122.298 135.204 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -42.590 121.297 134.134 1.00 0.00 H new ATOM 418 N LEU A 32 -39.635 128.553 135.566 1.00 0.00 N ATOM 419 CA LEU A 32 -39.111 129.222 136.761 1.00 0.00 C ATOM 420 C LEU A 32 -39.821 130.556 136.959 1.00 0.00 C ATOM 421 O LEU A 32 -39.819 131.122 138.052 1.00 0.00 O ATOM 422 CB LEU A 32 -37.604 129.461 136.615 1.00 0.00 C ATOM 423 CG LEU A 32 -36.877 128.142 136.305 1.00 0.00 C ATOM 424 CD1 LEU A 32 -35.368 128.411 136.233 1.00 0.00 C ATOM 425 CD2 LEU A 32 -37.170 127.096 137.401 1.00 0.00 C ATOM 0 H LEU A 32 -39.125 128.760 134.707 1.00 0.00 H new ATOM 0 HA LEU A 32 -39.288 128.584 137.627 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -37.420 130.181 135.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -37.208 129.894 137.533 1.00 0.00 H new ATOM 0 HG LEU A 32 -37.231 127.750 135.351 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -34.843 127.481 136.014 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -35.165 129.137 135.446 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -35.023 128.806 137.189 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -36.648 126.168 137.167 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -36.826 127.473 138.364 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -38.243 126.908 137.447 1.00 0.00 H new ATOM 437 N GLY A 33 -40.431 131.049 135.884 1.00 0.00 N ATOM 438 CA GLY A 33 -41.152 132.317 135.924 1.00 0.00 C ATOM 439 C GLY A 33 -40.195 133.493 135.756 1.00 0.00 C ATOM 440 O GLY A 33 -40.600 134.651 135.850 1.00 0.00 O ATOM 0 H GLY A 33 -40.440 130.589 134.974 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -41.903 132.338 135.134 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -41.684 132.408 136.871 1.00 0.00 H new ATOM 444 N MET A 34 -38.919 133.187 135.502 1.00 0.00 N ATOM 445 CA MET A 34 -37.891 134.222 135.314 1.00 0.00 C ATOM 446 C MET A 34 -36.885 133.790 134.249 1.00 0.00 C ATOM 447 O MET A 34 -36.783 132.609 133.920 1.00 0.00 O ATOM 448 CB MET A 34 -37.145 134.471 136.631 1.00 0.00 C ATOM 449 CG MET A 34 -38.130 134.854 137.745 1.00 0.00 C ATOM 450 SD MET A 34 -39.055 136.344 137.285 1.00 0.00 S ATOM 451 CE MET A 34 -37.647 137.477 137.188 1.00 0.00 C ATOM 0 H MET A 34 -38.571 132.232 135.421 1.00 0.00 H new ATOM 0 HA MET A 34 -38.387 135.138 134.993 1.00 0.00 H new ATOM 0 HB2 MET A 34 -36.593 133.576 136.918 1.00 0.00 H new ATOM 0 HB3 MET A 34 -36.413 135.267 136.496 1.00 0.00 H new ATOM 0 HG2 MET A 34 -38.821 134.031 137.927 1.00 0.00 H new ATOM 0 HG3 MET A 34 -37.588 135.027 138.675 1.00 0.00 H new ATOM 0 HE1 MET A 34 -37.909 138.424 137.659 1.00 0.00 H new ATOM 0 HE2 MET A 34 -36.792 137.040 137.703 1.00 0.00 H new ATOM 0 HE3 MET A 34 -37.391 137.650 136.143 1.00 0.00 H new ATOM 461 N MET A 35 -36.134 134.762 133.724 1.00 0.00 N ATOM 462 CA MET A 35 -35.116 134.494 132.700 1.00 0.00 C ATOM 463 C MET A 35 -33.742 134.363 133.353 1.00 0.00 C ATOM 464 O MET A 35 -33.373 135.169 134.207 1.00 0.00 O ATOM 465 CB MET A 35 -35.089 135.642 131.687 1.00 0.00 C ATOM 466 CG MET A 35 -34.172 135.276 130.517 1.00 0.00 C ATOM 467 SD MET A 35 -34.054 136.680 129.376 1.00 0.00 S ATOM 468 CE MET A 35 -33.158 137.819 130.465 1.00 0.00 C ATOM 0 H MET A 35 -36.211 135.744 133.991 1.00 0.00 H new ATOM 0 HA MET A 35 -35.363 133.563 132.190 1.00 0.00 H new ATOM 0 HB2 MET A 35 -36.097 135.842 131.323 1.00 0.00 H new ATOM 0 HB3 MET A 35 -34.736 136.555 132.167 1.00 0.00 H new ATOM 0 HG2 MET A 35 -33.182 135.011 130.887 1.00 0.00 H new ATOM 0 HG3 MET A 35 -34.562 134.402 129.995 1.00 0.00 H new ATOM 0 HE1 MET A 35 -32.372 138.320 129.900 1.00 0.00 H new ATOM 0 HE2 MET A 35 -33.850 138.562 130.863 1.00 0.00 H new ATOM 0 HE3 MET A 35 -32.713 137.261 131.288 1.00 0.00 H new ATOM 478 N THR A 36 -32.988 133.338 132.950 1.00 0.00 N ATOM 479 CA THR A 36 -31.649 133.098 133.506 1.00 0.00 C ATOM 480 C THR A 36 -30.583 133.789 132.663 1.00 0.00 C ATOM 481 O THR A 36 -30.802 134.088 131.489 1.00 0.00 O ATOM 482 CB THR A 36 -31.368 131.593 133.540 1.00 0.00 C ATOM 483 OG1 THR A 36 -31.104 131.134 132.222 1.00 0.00 O ATOM 484 CG2 THR A 36 -32.583 130.855 134.105 1.00 0.00 C ATOM 0 H THR A 36 -33.278 132.662 132.244 1.00 0.00 H new ATOM 0 HA THR A 36 -31.617 133.505 134.517 1.00 0.00 H new ATOM 0 HB THR A 36 -30.503 131.399 134.174 1.00 0.00 H new ATOM 0 HG1 THR A 36 -30.922 130.171 132.241 1.00 0.00 H new ATOM 0 HG21 THR A 36 -32.380 129.784 134.128 1.00 0.00 H new ATOM 0 HG22 THR A 36 -32.785 131.208 135.116 1.00 0.00 H new ATOM 0 HG23 THR A 36 -33.451 131.046 133.474 1.00 0.00 H new ATOM 492 N THR A 37 -29.418 134.040 133.274 1.00 0.00 N ATOM 493 CA THR A 37 -28.293 134.700 132.587 1.00 0.00 C ATOM 494 C THR A 37 -26.983 133.979 132.902 1.00 0.00 C ATOM 495 O THR A 37 -26.888 133.253 133.891 1.00 0.00 O ATOM 496 CB THR A 37 -28.207 136.170 133.023 1.00 0.00 C ATOM 497 OG1 THR A 37 -27.315 136.864 132.162 1.00 0.00 O ATOM 498 CG2 THR A 37 -27.709 136.269 134.468 1.00 0.00 C ATOM 0 H THR A 37 -29.227 133.796 134.246 1.00 0.00 H new ATOM 0 HA THR A 37 -28.462 134.658 131.511 1.00 0.00 H new ATOM 0 HB THR A 37 -29.199 136.617 132.964 1.00 0.00 H new ATOM 0 HG1 THR A 37 -27.259 137.803 132.437 1.00 0.00 H new ATOM 0 HG21 THR A 37 -27.653 137.317 134.763 1.00 0.00 H new ATOM 0 HG22 THR A 37 -28.399 135.743 135.128 1.00 0.00 H new ATOM 0 HG23 THR A 37 -26.720 135.818 134.544 1.00 0.00 H new ATOM 506 N VAL A 38 -25.968 134.183 132.049 1.00 0.00 N ATOM 507 CA VAL A 38 -24.651 133.549 132.236 1.00 0.00 C ATOM 508 C VAL A 38 -23.625 134.591 132.673 1.00 0.00 C ATOM 509 O VAL A 38 -23.466 135.631 132.034 1.00 0.00 O ATOM 510 CB VAL A 38 -24.204 132.906 130.915 1.00 0.00 C ATOM 511 CG1 VAL A 38 -23.911 133.992 129.872 1.00 0.00 C ATOM 512 CG2 VAL A 38 -22.943 132.067 131.154 1.00 0.00 C ATOM 0 H VAL A 38 -26.032 134.780 131.225 1.00 0.00 H new ATOM 0 HA VAL A 38 -24.728 132.784 133.008 1.00 0.00 H new ATOM 0 HB VAL A 38 -25.003 132.265 130.543 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -23.595 133.525 128.939 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -24.812 134.580 129.696 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -23.118 134.644 130.238 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -22.626 131.611 130.216 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -22.147 132.707 131.533 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -23.159 131.286 131.883 1.00 0.00 H new ATOM 522 N SER A 39 -22.935 134.302 133.773 1.00 0.00 N ATOM 523 CA SER A 39 -21.927 135.217 134.299 1.00 0.00 C ATOM 524 C SER A 39 -20.681 135.230 133.418 1.00 0.00 C ATOM 525 O SER A 39 -20.023 136.260 133.276 1.00 0.00 O ATOM 526 CB SER A 39 -21.544 134.808 135.720 1.00 0.00 C ATOM 527 OG SER A 39 -22.716 134.738 136.522 1.00 0.00 O ATOM 0 H SER A 39 -23.055 133.446 134.315 1.00 0.00 H new ATOM 0 HA SER A 39 -22.353 136.220 134.307 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.039 133.842 135.709 1.00 0.00 H new ATOM 0 HB3 SER A 39 -20.844 135.529 136.142 1.00 0.00 H new ATOM 0 HG SER A 39 -22.473 134.474 137.434 1.00 0.00 H new ATOM 533 N GLY A 40 -20.354 134.076 132.838 1.00 0.00 N ATOM 534 CA GLY A 40 -19.179 133.965 131.986 1.00 0.00 C ATOM 535 C GLY A 40 -18.737 132.513 131.895 1.00 0.00 C ATOM 536 O GLY A 40 -19.060 131.702 132.762 1.00 0.00 O ATOM 0 H GLY A 40 -20.885 133.211 132.944 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.404 134.348 130.991 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.370 134.575 132.387 1.00 0.00 H new ATOM 540 N VAL A 41 -18.002 132.183 130.827 1.00 0.00 N ATOM 541 CA VAL A 41 -17.517 130.812 130.607 1.00 0.00 C ATOM 542 C VAL A 41 -16.015 130.785 130.357 1.00 0.00 C ATOM 543 O VAL A 41 -15.443 131.734 129.821 1.00 0.00 O ATOM 544 CB VAL A 41 -18.259 130.211 129.415 1.00 0.00 C ATOM 545 CG1 VAL A 41 -19.760 130.419 129.624 1.00 0.00 C ATOM 546 CG2 VAL A 41 -17.823 130.907 128.121 1.00 0.00 C ATOM 0 H VAL A 41 -17.729 132.845 130.101 1.00 0.00 H new ATOM 0 HA VAL A 41 -17.710 130.224 131.504 1.00 0.00 H new ATOM 0 HB VAL A 41 -18.031 129.148 129.336 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -20.307 129.996 128.781 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -20.071 129.924 130.544 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -19.973 131.486 129.696 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.357 130.472 127.276 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.051 131.971 128.186 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.750 130.774 127.980 1.00 0.00 H new ATOM 556 N GLU A 42 -15.386 129.669 130.741 1.00 0.00 N ATOM 557 CA GLU A 42 -13.939 129.473 130.555 1.00 0.00 C ATOM 558 C GLU A 42 -13.675 128.129 129.895 1.00 0.00 C ATOM 559 O GLU A 42 -14.339 127.136 130.192 1.00 0.00 O ATOM 560 CB GLU A 42 -13.225 129.525 131.903 1.00 0.00 C ATOM 561 CG GLU A 42 -13.378 130.921 132.501 1.00 0.00 C ATOM 562 CD GLU A 42 -12.615 131.012 133.817 1.00 0.00 C ATOM 563 OE1 GLU A 42 -12.157 129.982 134.286 1.00 0.00 O ATOM 564 OE2 GLU A 42 -12.499 132.109 134.337 1.00 0.00 O1- ATOM 0 H GLU A 42 -15.858 128.881 131.186 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.559 130.270 129.915 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.644 128.779 132.579 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.169 129.284 131.778 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.003 131.668 131.802 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.433 131.141 132.667 1.00 0.00 H new ATOM 571 N MET A 43 -12.689 128.105 128.998 1.00 0.00 N ATOM 572 CA MET A 43 -12.309 126.877 128.278 1.00 0.00 C ATOM 573 C MET A 43 -10.968 126.365 128.792 1.00 0.00 C ATOM 574 O MET A 43 -10.070 127.154 129.088 1.00 0.00 O ATOM 575 CB MET A 43 -12.195 127.173 126.781 1.00 0.00 C ATOM 576 CG MET A 43 -13.563 127.585 126.235 1.00 0.00 C ATOM 577 SD MET A 43 -13.481 127.717 124.433 1.00 0.00 S ATOM 578 CE MET A 43 -15.209 128.185 124.167 1.00 0.00 C ATOM 0 H MET A 43 -12.133 128.923 128.748 1.00 0.00 H new ATOM 0 HA MET A 43 -13.073 126.118 128.445 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.470 127.969 126.611 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.831 126.292 126.252 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.317 126.852 126.522 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.866 128.539 126.666 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.328 128.577 123.157 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.847 127.310 124.294 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.494 128.950 124.889 1.00 0.00 H new ATOM 588 N SER A 44 -10.830 125.047 128.894 1.00 0.00 N ATOM 589 CA SER A 44 -9.586 124.467 129.369 1.00 0.00 C ATOM 590 C SER A 44 -8.529 124.536 128.279 1.00 0.00 C ATOM 591 O SER A 44 -8.844 124.548 127.091 1.00 0.00 O ATOM 592 CB SER A 44 -9.802 123.011 129.781 1.00 0.00 C ATOM 593 OG SER A 44 -10.025 122.221 128.621 1.00 0.00 O ATOM 0 H SER A 44 -11.556 124.371 128.657 1.00 0.00 H new ATOM 0 HA SER A 44 -9.248 125.035 130.236 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.932 122.642 130.324 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.655 122.935 130.456 1.00 0.00 H new ATOM 0 HG SER A 44 -10.905 122.433 128.245 1.00 0.00 H new ATOM 599 N ARG A 45 -7.278 124.581 128.697 1.00 0.00 N ATOM 600 CA ARG A 45 -6.166 124.650 127.763 1.00 0.00 C ATOM 601 C ARG A 45 -6.098 123.404 126.883 1.00 0.00 C ATOM 602 O ARG A 45 -5.711 123.477 125.716 1.00 0.00 O ATOM 603 CB ARG A 45 -4.871 124.789 128.548 1.00 0.00 C ATOM 604 CG ARG A 45 -4.846 126.139 129.266 1.00 0.00 C ATOM 605 CD ARG A 45 -3.511 126.307 129.993 1.00 0.00 C ATOM 606 NE ARG A 45 -2.430 126.480 129.029 1.00 0.00 N ATOM 607 CZ ARG A 45 -2.252 127.635 128.397 1.00 0.00 C ATOM 608 NH1 ARG A 45 -1.276 127.766 127.540 1.00 0.00 N1+ ATOM 609 NH2 ARG A 45 -3.051 128.639 128.633 1.00 0.00 N ATOM 0 H ARG A 45 -7.004 124.571 129.680 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.313 125.512 127.113 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.785 123.979 129.273 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.017 124.708 127.876 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.985 126.947 128.548 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.670 126.200 129.977 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.557 127.170 130.658 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.316 125.434 130.616 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.800 125.701 128.837 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.650 126.982 127.356 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.139 128.653 127.055 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.813 128.538 129.303 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.913 129.525 128.147 1.00 0.00 H new ATOM 623 N ASP A 46 -6.456 122.256 127.455 1.00 0.00 N ATOM 624 CA ASP A 46 -6.414 120.989 126.722 1.00 0.00 C ATOM 625 C ASP A 46 -7.678 120.783 125.896 1.00 0.00 C ATOM 626 O ASP A 46 -7.802 119.787 125.186 1.00 0.00 O ATOM 627 CB ASP A 46 -6.258 119.829 127.707 1.00 0.00 C ATOM 628 CG ASP A 46 -4.895 119.902 128.388 1.00 0.00 C ATOM 629 OD1 ASP A 46 -4.062 120.661 127.921 1.00 0.00 O ATOM 630 OD2 ASP A 46 -4.707 119.199 129.367 1.00 0.00 O1- ATOM 0 H ASP A 46 -6.777 122.175 128.420 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.562 121.021 126.043 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.050 119.867 128.455 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.361 118.879 127.182 1.00 0.00 H new ATOM 635 N LEU A 47 -8.622 121.714 126.010 1.00 0.00 N ATOM 636 CA LEU A 47 -9.881 121.610 125.284 1.00 0.00 C ATOM 637 C LEU A 47 -10.602 120.360 125.744 1.00 0.00 C ATOM 638 O LEU A 47 -11.552 119.899 125.115 1.00 0.00 O ATOM 639 CB LEU A 47 -9.639 121.544 123.770 1.00 0.00 C ATOM 640 CG LEU A 47 -8.649 122.634 123.345 1.00 0.00 C ATOM 641 CD1 LEU A 47 -8.435 122.558 121.831 1.00 0.00 C ATOM 642 CD2 LEU A 47 -9.205 124.017 123.716 1.00 0.00 C ATOM 0 H LEU A 47 -8.538 122.545 126.596 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.486 122.493 125.489 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.249 120.563 123.499 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.582 121.671 123.238 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.700 122.481 123.859 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.731 123.332 121.524 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.035 121.579 121.569 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.386 122.710 121.321 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.497 124.788 123.411 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.155 124.176 123.206 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.358 124.070 124.794 1.00 0.00 H new ATOM 654 N ALA A 48 -10.120 119.813 126.850 1.00 0.00 N ATOM 655 CA ALA A 48 -10.702 118.612 127.414 1.00 0.00 C ATOM 656 C ALA A 48 -12.007 118.921 128.141 1.00 0.00 C ATOM 657 O ALA A 48 -12.934 118.112 128.136 1.00 0.00 O ATOM 658 CB ALA A 48 -9.716 117.963 128.388 1.00 0.00 C ATOM 0 H ALA A 48 -9.327 120.185 127.372 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.917 117.925 126.596 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.160 117.061 128.808 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.799 117.703 127.859 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.485 118.662 129.192 1.00 0.00 H new ATOM 664 N TYR A 49 -12.071 120.093 128.781 1.00 0.00 N ATOM 665 CA TYR A 49 -13.270 120.497 129.532 1.00 0.00 C ATOM 666 C TYR A 49 -13.486 122.010 129.484 1.00 0.00 C ATOM 667 O TYR A 49 -12.592 122.771 129.117 1.00 0.00 O ATOM 668 CB TYR A 49 -13.136 120.043 130.989 1.00 0.00 C ATOM 669 CG TYR A 49 -12.043 120.835 131.673 1.00 0.00 C ATOM 670 CD1 TYR A 49 -10.721 120.377 131.636 1.00 0.00 C ATOM 671 CD2 TYR A 49 -12.352 122.031 132.333 1.00 0.00 C ATOM 672 CE1 TYR A 49 -9.707 121.112 132.260 1.00 0.00 C ATOM 673 CE2 TYR A 49 -11.337 122.766 132.959 1.00 0.00 C ATOM 674 CZ TYR A 49 -10.016 122.307 132.923 1.00 0.00 C ATOM 675 OH TYR A 49 -9.016 123.032 133.538 1.00 0.00 O ATOM 0 H TYR A 49 -11.314 120.776 128.796 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.134 120.022 129.067 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.082 120.184 131.512 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -12.906 118.978 131.028 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.483 119.455 131.125 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.372 122.386 132.359 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.687 120.758 132.231 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.574 123.688 133.470 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.400 123.834 133.950 1.00 0.00 H new ATOM 685 N ALA A 50 -14.693 122.426 129.873 1.00 0.00 N ATOM 686 CA ALA A 50 -15.073 123.844 129.901 1.00 0.00 C ATOM 687 C ALA A 50 -15.917 124.141 131.139 1.00 0.00 C ATOM 688 O ALA A 50 -16.746 123.324 131.540 1.00 0.00 O ATOM 689 CB ALA A 50 -15.886 124.182 128.655 1.00 0.00 C ATOM 0 H ALA A 50 -15.434 121.794 130.177 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.166 124.447 129.929 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -16.167 125.235 128.678 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.287 123.986 127.766 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.786 123.567 128.630 1.00 0.00 H new ATOM 695 N LYS A 51 -15.712 125.321 131.743 1.00 0.00 N ATOM 696 CA LYS A 51 -16.472 125.731 132.944 1.00 0.00 C ATOM 697 C LYS A 51 -17.396 126.902 132.638 1.00 0.00 C ATOM 698 O LYS A 51 -16.943 127.982 132.256 1.00 0.00 O ATOM 699 CB LYS A 51 -15.506 126.134 134.061 1.00 0.00 C ATOM 700 CG LYS A 51 -14.772 124.894 134.579 1.00 0.00 C ATOM 701 CD LYS A 51 -13.915 125.280 135.789 1.00 0.00 C ATOM 702 CE LYS A 51 -13.172 124.047 136.310 1.00 0.00 C ATOM 703 NZ LYS A 51 -12.070 124.479 137.216 1.00 0.00 N1+ ATOM 0 H LYS A 51 -15.030 126.009 131.425 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.077 124.882 133.262 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.788 126.865 133.688 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.053 126.611 134.874 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.490 124.123 134.859 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.144 124.475 133.793 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.201 126.055 135.509 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.545 125.696 136.575 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.861 123.392 136.844 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.768 123.473 135.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.564 123.642 137.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.409 125.087 136.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.467 125.009 138.018 1.00 0.00 H new ATOM 717 N VAL A 52 -18.706 126.686 132.838 1.00 0.00 N ATOM 718 CA VAL A 52 -19.731 127.732 132.614 1.00 0.00 C ATOM 719 C VAL A 52 -20.484 128.012 133.918 1.00 0.00 C ATOM 720 O VAL A 52 -20.899 127.093 134.623 1.00 0.00 O ATOM 721 CB VAL A 52 -20.690 127.320 131.460 1.00 0.00 C ATOM 722 CG1 VAL A 52 -21.006 125.824 131.527 1.00 0.00 C ATOM 723 CG2 VAL A 52 -22.012 128.127 131.520 1.00 0.00 C ATOM 0 H VAL A 52 -19.087 125.795 133.156 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.243 128.657 132.308 1.00 0.00 H new ATOM 0 HB VAL A 52 -20.184 127.539 130.520 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -21.678 125.557 130.711 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -20.082 125.253 131.438 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -21.483 125.595 132.480 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -22.664 127.819 130.702 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -22.510 127.939 132.471 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -21.793 129.191 131.429 1.00 0.00 H new ATOM 733 N TYR A 53 -20.649 129.308 134.221 1.00 0.00 N ATOM 734 CA TYR A 53 -21.350 129.750 135.437 1.00 0.00 C ATOM 735 C TYR A 53 -22.691 130.376 135.063 1.00 0.00 C ATOM 736 O TYR A 53 -22.774 131.154 134.113 1.00 0.00 O ATOM 737 CB TYR A 53 -20.492 130.790 136.164 1.00 0.00 C ATOM 738 CG TYR A 53 -19.168 130.175 136.555 1.00 0.00 C ATOM 739 CD1 TYR A 53 -19.028 129.543 137.796 1.00 0.00 C ATOM 740 CD2 TYR A 53 -18.080 130.232 135.674 1.00 0.00 C ATOM 741 CE1 TYR A 53 -17.803 128.969 138.157 1.00 0.00 C ATOM 742 CE2 TYR A 53 -16.855 129.659 136.036 1.00 0.00 C ATOM 743 CZ TYR A 53 -16.717 129.027 137.277 1.00 0.00 C ATOM 744 OH TYR A 53 -15.509 128.461 137.633 1.00 0.00 O ATOM 0 H TYR A 53 -20.305 130.072 133.639 1.00 0.00 H new ATOM 0 HA TYR A 53 -21.522 128.892 136.086 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -20.327 131.654 135.520 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -21.013 131.149 137.051 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -19.866 129.498 138.476 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -18.186 130.718 134.715 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -17.696 128.481 139.115 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -16.016 129.705 135.357 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.862 128.589 136.908 1.00 0.00 H new ATOM 754 N VAL A 54 -23.748 130.029 135.811 1.00 0.00 N ATOM 755 CA VAL A 54 -25.101 130.559 135.547 1.00 0.00 C ATOM 756 C VAL A 54 -25.740 131.092 136.825 1.00 0.00 C ATOM 757 O VAL A 54 -25.509 130.569 137.916 1.00 0.00 O ATOM 758 CB VAL A 54 -25.980 129.447 134.973 1.00 0.00 C ATOM 759 CG1 VAL A 54 -27.349 130.019 134.600 1.00 0.00 C ATOM 760 CG2 VAL A 54 -25.315 128.866 133.723 1.00 0.00 C ATOM 0 H VAL A 54 -23.697 129.386 136.601 1.00 0.00 H new ATOM 0 HA VAL A 54 -25.015 131.378 134.833 1.00 0.00 H new ATOM 0 HB VAL A 54 -26.105 128.662 135.719 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -27.975 129.226 134.191 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -27.824 130.435 135.489 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -27.224 130.804 133.854 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -25.941 128.073 133.313 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -25.191 129.652 132.978 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -24.339 128.458 133.986 1.00 0.00 H new ATOM 770 N THR A 55 -26.557 132.141 136.673 1.00 0.00 N ATOM 771 CA THR A 55 -27.251 132.760 137.810 1.00 0.00 C ATOM 772 C THR A 55 -28.642 133.246 137.398 1.00 0.00 C ATOM 773 O THR A 55 -28.876 133.585 136.238 1.00 0.00 O ATOM 774 CB THR A 55 -26.420 133.936 138.343 1.00 0.00 C ATOM 775 OG1 THR A 55 -26.946 134.358 139.592 1.00 0.00 O ATOM 776 CG2 THR A 55 -26.454 135.101 137.348 1.00 0.00 C ATOM 0 H THR A 55 -26.754 132.580 135.773 1.00 0.00 H new ATOM 0 HA THR A 55 -27.369 132.013 138.595 1.00 0.00 H new ATOM 0 HB THR A 55 -25.387 133.613 138.472 1.00 0.00 H new ATOM 0 HG1 THR A 55 -27.421 133.613 140.015 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.861 135.929 137.737 1.00 0.00 H new ATOM 0 HG22 THR A 55 -26.041 134.776 136.393 1.00 0.00 H new ATOM 0 HG23 THR A 55 -27.484 135.428 137.205 1.00 0.00 H new ATOM 784 N PHE A 56 -29.560 133.291 138.369 1.00 0.00 N ATOM 785 CA PHE A 56 -30.930 133.752 138.122 1.00 0.00 C ATOM 786 C PHE A 56 -31.531 134.396 139.377 1.00 0.00 C ATOM 787 O PHE A 56 -31.057 134.181 140.493 1.00 0.00 O ATOM 788 CB PHE A 56 -31.804 132.591 137.633 1.00 0.00 C ATOM 789 CG PHE A 56 -31.536 131.347 138.449 1.00 0.00 C ATOM 790 CD1 PHE A 56 -32.147 131.184 139.694 1.00 0.00 C ATOM 791 CD2 PHE A 56 -30.702 130.340 137.942 1.00 0.00 C ATOM 792 CE1 PHE A 56 -31.925 130.018 140.438 1.00 0.00 C ATOM 793 CE2 PHE A 56 -30.475 129.177 138.687 1.00 0.00 C ATOM 794 CZ PHE A 56 -31.087 129.016 139.934 1.00 0.00 C ATOM 0 H PHE A 56 -29.379 133.014 139.334 1.00 0.00 H new ATOM 0 HA PHE A 56 -30.898 134.513 137.342 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -32.857 132.863 137.709 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -31.601 132.393 136.580 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -32.792 131.958 140.084 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -30.235 130.462 136.976 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -32.400 129.892 141.400 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -29.828 128.404 138.299 1.00 0.00 H new ATOM 0 HZ PHE A 56 -30.913 128.118 140.509 1.00 0.00 H new ATOM 804 N LEU A 57 -32.568 135.205 139.168 1.00 0.00 N ATOM 805 CA LEU A 57 -33.242 135.918 140.259 1.00 0.00 C ATOM 806 C LEU A 57 -33.851 134.958 141.281 1.00 0.00 C ATOM 807 O LEU A 57 -34.011 135.308 142.452 1.00 0.00 O ATOM 808 CB LEU A 57 -34.340 136.824 139.678 1.00 0.00 C ATOM 809 CG LEU A 57 -34.949 137.731 140.769 1.00 0.00 C ATOM 810 CD1 LEU A 57 -33.922 138.786 141.244 1.00 0.00 C ATOM 811 CD2 LEU A 57 -36.187 138.432 140.188 1.00 0.00 C ATOM 0 H LEU A 57 -32.965 135.386 138.246 1.00 0.00 H new ATOM 0 HA LEU A 57 -32.494 136.518 140.777 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -33.924 137.439 138.880 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -35.123 136.211 139.232 1.00 0.00 H new ATOM 0 HG LEU A 57 -35.228 137.122 141.629 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -34.374 139.413 142.012 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -33.047 138.283 141.655 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -33.621 139.406 140.400 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -36.629 139.077 140.947 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -35.894 139.033 139.327 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -36.917 137.684 139.878 1.00 0.00 H new ATOM 823 N ASN A 58 -34.200 133.750 140.848 1.00 0.00 N ATOM 824 CA ASN A 58 -34.808 132.785 141.756 1.00 0.00 C ATOM 825 C ASN A 58 -33.719 132.128 142.582 1.00 0.00 C ATOM 826 O ASN A 58 -33.985 131.250 143.403 1.00 0.00 O ATOM 827 CB ASN A 58 -35.604 131.730 140.981 1.00 0.00 C ATOM 828 CG ASN A 58 -36.652 132.411 140.106 1.00 0.00 C ATOM 829 OD1 ASN A 58 -37.298 133.364 140.540 1.00 0.00 O ATOM 830 ND2 ASN A 58 -36.858 131.976 138.893 1.00 0.00 N ATOM 0 H ASN A 58 -34.075 133.420 139.891 1.00 0.00 H new ATOM 0 HA ASN A 58 -35.503 133.304 142.416 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -34.931 131.136 140.362 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -36.088 131.044 141.676 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -37.556 132.426 138.301 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -36.321 131.186 138.536 1.00 0.00 H new ATOM 837 N ASP A 59 -32.494 132.626 142.414 1.00 0.00 N ATOM 838 CA ASP A 59 -31.387 132.142 143.214 1.00 0.00 C ATOM 839 C ASP A 59 -31.743 132.449 144.653 1.00 0.00 C ATOM 840 O ASP A 59 -31.156 131.915 145.592 1.00 0.00 O ATOM 841 CB ASP A 59 -30.079 132.868 142.855 1.00 0.00 C ATOM 842 CG ASP A 59 -29.503 132.346 141.544 1.00 0.00 C ATOM 843 OD1 ASP A 59 -29.731 131.193 141.235 1.00 0.00 O ATOM 844 OD2 ASP A 59 -28.830 133.112 140.875 1.00 0.00 O1- ATOM 0 H ASP A 59 -32.253 133.353 141.740 1.00 0.00 H new ATOM 0 HA ASP A 59 -31.230 131.078 143.040 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -30.265 133.939 142.773 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -29.352 132.731 143.655 1.00 0.00 H new ATOM 849 N LYS A 60 -32.720 133.344 144.797 1.00 0.00 N ATOM 850 CA LYS A 60 -33.172 133.762 146.111 1.00 0.00 C ATOM 851 C LYS A 60 -33.895 132.620 146.820 1.00 0.00 C ATOM 852 O LYS A 60 -33.722 132.416 148.022 1.00 0.00 O ATOM 853 CB LYS A 60 -34.122 134.954 145.958 1.00 0.00 C ATOM 854 CG LYS A 60 -34.528 135.492 147.332 1.00 0.00 C ATOM 855 CD LYS A 60 -35.529 136.628 147.148 1.00 0.00 C ATOM 856 CE LYS A 60 -35.981 137.126 148.516 1.00 0.00 C ATOM 857 NZ LYS A 60 -34.791 137.560 149.304 1.00 0.00 N1+ ATOM 0 H LYS A 60 -33.208 133.788 144.019 1.00 0.00 H new ATOM 0 HA LYS A 60 -32.307 134.048 146.709 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -33.638 135.741 145.381 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -35.009 134.651 145.402 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -34.969 134.696 147.932 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -33.650 135.848 147.871 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -35.074 137.442 146.584 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -36.387 136.282 146.572 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -36.677 137.957 148.401 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -36.513 136.335 149.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -35.096 138.182 150.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -34.312 136.725 149.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -34.134 138.076 148.685 1.00 0.00 H new ATOM 871 N ASP A 61 -34.697 131.873 146.067 1.00 0.00 N ATOM 872 CA ASP A 61 -35.440 130.737 146.624 1.00 0.00 C ATOM 873 C ASP A 61 -34.617 129.457 146.498 1.00 0.00 C ATOM 874 O ASP A 61 -34.347 128.987 145.394 1.00 0.00 O ATOM 875 CB ASP A 61 -36.765 130.575 145.879 1.00 0.00 C ATOM 876 CG ASP A 61 -37.691 131.743 146.202 1.00 0.00 C ATOM 877 OD1 ASP A 61 -37.375 132.488 147.114 1.00 0.00 O ATOM 878 OD2 ASP A 61 -38.702 131.874 145.532 1.00 0.00 O1- ATOM 0 H ASP A 61 -34.852 132.030 145.071 1.00 0.00 H new ATOM 0 HA ASP A 61 -35.638 130.926 147.679 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -36.585 130.529 144.805 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -37.239 129.635 146.163 1.00 0.00 H new ATOM 883 N GLU A 62 -34.219 128.905 147.639 1.00 0.00 N ATOM 884 CA GLU A 62 -33.422 127.685 147.648 1.00 0.00 C ATOM 885 C GLU A 62 -34.170 126.535 146.985 1.00 0.00 C ATOM 886 O GLU A 62 -33.565 125.672 146.349 1.00 0.00 O ATOM 887 CB GLU A 62 -33.055 127.313 149.091 1.00 0.00 C ATOM 888 CG GLU A 62 -34.310 126.889 149.862 1.00 0.00 C ATOM 889 CD GLU A 62 -33.978 126.719 151.340 1.00 0.00 C ATOM 890 OE1 GLU A 62 -32.811 126.829 151.681 1.00 0.00 O ATOM 891 OE2 GLU A 62 -34.893 126.480 152.109 1.00 0.00 O1- ATOM 0 H GLU A 62 -34.433 129.280 148.563 1.00 0.00 H new ATOM 0 HA GLU A 62 -32.511 127.868 147.079 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -32.327 126.502 149.092 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -32.585 128.163 149.585 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -35.093 127.638 149.740 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -34.697 125.954 149.457 1.00 0.00 H new ATOM 898 N ASP A 63 -35.489 126.534 147.128 1.00 0.00 N ATOM 899 CA ASP A 63 -36.307 125.493 146.531 1.00 0.00 C ATOM 900 C ASP A 63 -36.232 125.598 145.023 1.00 0.00 C ATOM 901 O ASP A 63 -36.184 124.595 144.311 1.00 0.00 O ATOM 902 CB ASP A 63 -37.760 125.634 146.989 1.00 0.00 C ATOM 903 CG ASP A 63 -37.864 125.369 148.487 1.00 0.00 C ATOM 904 OD1 ASP A 63 -36.907 124.859 149.045 1.00 0.00 O ATOM 905 OD2 ASP A 63 -38.899 125.679 149.053 1.00 0.00 O1- ATOM 0 H ASP A 63 -36.010 127.239 147.649 1.00 0.00 H new ATOM 0 HA ASP A 63 -35.934 124.519 146.848 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -38.125 126.636 146.763 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -38.391 124.933 146.443 1.00 0.00 H new ATOM 910 N ALA A 64 -36.220 126.833 144.550 1.00 0.00 N ATOM 911 CA ALA A 64 -36.146 127.093 143.127 1.00 0.00 C ATOM 912 C ALA A 64 -34.812 126.628 142.561 1.00 0.00 C ATOM 913 O ALA A 64 -34.742 126.129 141.437 1.00 0.00 O ATOM 914 CB ALA A 64 -36.317 128.587 142.851 1.00 0.00 C ATOM 0 H ALA A 64 -36.261 127.669 145.133 1.00 0.00 H new ATOM 0 HA ALA A 64 -36.950 126.539 142.643 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -36.259 128.768 141.778 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -37.287 128.917 143.223 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -35.527 129.143 143.356 1.00 0.00 H new ATOM 920 N VAL A 65 -33.755 126.794 143.346 1.00 0.00 N ATOM 921 CA VAL A 65 -32.428 126.391 142.912 1.00 0.00 C ATOM 922 C VAL A 65 -32.349 124.878 142.828 1.00 0.00 C ATOM 923 O VAL A 65 -31.717 124.327 141.932 1.00 0.00 O ATOM 924 CB VAL A 65 -31.374 126.914 143.893 1.00 0.00 C ATOM 925 CG1 VAL A 65 -29.993 126.378 143.506 1.00 0.00 C ATOM 926 CG2 VAL A 65 -31.354 128.444 143.845 1.00 0.00 C ATOM 0 H VAL A 65 -33.792 127.202 144.280 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.235 126.813 141.926 1.00 0.00 H new ATOM 0 HB VAL A 65 -31.621 126.579 144.900 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -29.248 126.753 144.207 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -30.004 125.288 143.537 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -29.743 126.710 142.498 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -30.605 128.820 144.542 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -31.108 128.773 142.835 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -32.335 128.830 144.123 1.00 0.00 H new ATOM 936 N LYS A 66 -32.997 124.217 143.776 1.00 0.00 N ATOM 937 CA LYS A 66 -33.009 122.780 143.825 1.00 0.00 C ATOM 938 C LYS A 66 -33.759 122.211 142.633 1.00 0.00 C ATOM 939 O LYS A 66 -33.312 121.264 141.985 1.00 0.00 O ATOM 940 CB LYS A 66 -33.690 122.346 145.119 1.00 0.00 C ATOM 941 CG LYS A 66 -33.597 120.834 145.280 1.00 0.00 C ATOM 942 CD LYS A 66 -34.337 120.430 146.549 1.00 0.00 C ATOM 943 CE LYS A 66 -34.165 118.936 146.766 1.00 0.00 C ATOM 944 NZ LYS A 66 -32.754 118.649 147.152 1.00 0.00 N1+ ATOM 0 H LYS A 66 -33.524 124.667 144.525 1.00 0.00 H new ATOM 0 HA LYS A 66 -31.986 122.406 143.793 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -33.219 122.839 145.969 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -34.735 122.655 145.110 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -34.032 120.335 144.414 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -32.554 120.524 145.336 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -33.947 120.982 147.404 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -35.395 120.679 146.464 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -34.844 118.590 147.546 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -34.422 118.394 145.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -32.709 117.737 147.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -32.162 118.606 146.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -32.405 119.403 147.777 1.00 0.00 H new ATOM 958 N ALA A 67 -34.910 122.797 142.359 1.00 0.00 N ATOM 959 CA ALA A 67 -35.729 122.355 141.257 1.00 0.00 C ATOM 960 C ALA A 67 -35.078 122.711 139.936 1.00 0.00 C ATOM 961 O ALA A 67 -35.038 121.909 139.005 1.00 0.00 O ATOM 962 CB ALA A 67 -37.114 123.001 141.340 1.00 0.00 C ATOM 0 H ALA A 67 -35.295 123.580 142.887 1.00 0.00 H new ATOM 0 HA ALA A 67 -35.833 121.272 141.317 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -37.725 122.661 140.504 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -37.592 122.717 142.278 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -37.013 124.085 141.298 1.00 0.00 H new ATOM 968 N GLY A 68 -34.584 123.935 139.868 1.00 0.00 N ATOM 969 CA GLY A 68 -33.950 124.422 138.662 1.00 0.00 C ATOM 970 C GLY A 68 -32.637 123.701 138.360 1.00 0.00 C ATOM 971 O GLY A 68 -32.426 123.235 137.243 1.00 0.00 O ATOM 0 H GLY A 68 -34.611 124.607 140.635 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -34.632 124.297 137.821 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -33.760 125.491 138.761 1.00 0.00 H new ATOM 975 N ILE A 69 -31.751 123.625 139.350 1.00 0.00 N ATOM 976 CA ILE A 69 -30.458 122.978 139.143 1.00 0.00 C ATOM 977 C ILE A 69 -30.630 121.520 138.736 1.00 0.00 C ATOM 978 O ILE A 69 -29.855 120.994 137.941 1.00 0.00 O ATOM 979 CB ILE A 69 -29.594 123.080 140.416 1.00 0.00 C ATOM 980 CG1 ILE A 69 -28.129 122.765 140.072 1.00 0.00 C ATOM 981 CG2 ILE A 69 -30.092 122.095 141.488 1.00 0.00 C ATOM 982 CD1 ILE A 69 -27.250 123.019 141.299 1.00 0.00 C ATOM 0 H ILE A 69 -31.900 123.996 140.288 1.00 0.00 H new ATOM 0 HA ILE A 69 -29.950 123.498 138.331 1.00 0.00 H new ATOM 0 HB ILE A 69 -29.671 124.094 140.808 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -28.035 121.727 139.752 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.798 123.386 139.240 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -29.470 122.182 142.379 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -31.126 122.327 141.743 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -30.034 121.077 141.102 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.211 122.796 141.055 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.336 124.064 141.598 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -27.576 122.379 142.119 1.00 0.00 H new ATOM 994 N LYS A 70 -31.655 120.880 139.274 1.00 0.00 N ATOM 995 CA LYS A 70 -31.930 119.502 138.954 1.00 0.00 C ATOM 996 C LYS A 70 -32.334 119.392 137.501 1.00 0.00 C ATOM 997 O LYS A 70 -31.917 118.480 136.787 1.00 0.00 O ATOM 998 CB LYS A 70 -33.053 118.993 139.850 1.00 0.00 C ATOM 999 CG LYS A 70 -33.240 117.497 139.641 1.00 0.00 C ATOM 1000 CD LYS A 70 -34.403 117.020 140.504 1.00 0.00 C ATOM 1001 CE LYS A 70 -34.449 115.500 140.480 1.00 0.00 C ATOM 1002 NZ LYS A 70 -35.729 115.032 141.082 1.00 0.00 N1+ ATOM 0 H LYS A 70 -32.308 121.300 139.935 1.00 0.00 H new ATOM 0 HA LYS A 70 -31.037 118.899 139.120 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -32.818 119.197 140.895 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -33.980 119.520 139.623 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -33.438 117.285 138.590 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -32.328 116.962 139.908 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -34.283 117.377 141.527 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -35.341 117.431 140.131 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -34.364 115.139 139.455 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -33.604 115.091 141.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -35.761 113.993 141.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -35.792 115.365 142.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -36.529 115.411 140.536 1.00 0.00 H new ATOM 1016 N ALA A 71 -33.145 120.346 137.070 1.00 0.00 N ATOM 1017 CA ALA A 71 -33.600 120.372 135.700 1.00 0.00 C ATOM 1018 C ALA A 71 -32.446 120.727 134.777 1.00 0.00 C ATOM 1019 O ALA A 71 -32.296 120.162 133.695 1.00 0.00 O ATOM 1020 CB ALA A 71 -34.723 121.398 135.541 1.00 0.00 C ATOM 0 H ALA A 71 -33.497 121.107 137.651 1.00 0.00 H new ATOM 0 HA ALA A 71 -33.979 119.385 135.435 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -35.060 121.411 134.504 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -35.556 121.129 136.190 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -34.354 122.386 135.815 1.00 0.00 H new ATOM 1026 N LEU A 72 -31.637 121.671 135.230 1.00 0.00 N ATOM 1027 CA LEU A 72 -30.483 122.126 134.467 1.00 0.00 C ATOM 1028 C LEU A 72 -29.412 121.042 134.412 1.00 0.00 C ATOM 1029 O LEU A 72 -28.723 120.881 133.405 1.00 0.00 O ATOM 1030 CB LEU A 72 -29.908 123.392 135.115 1.00 0.00 C ATOM 1031 CG LEU A 72 -28.801 124.009 134.236 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -29.397 124.625 132.950 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -28.082 125.092 135.051 1.00 0.00 C ATOM 0 H LEU A 72 -31.758 122.140 136.127 1.00 0.00 H new ATOM 0 HA LEU A 72 -30.802 122.348 133.448 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -30.704 124.120 135.268 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -29.504 123.150 136.098 1.00 0.00 H new ATOM 0 HG LEU A 72 -28.099 123.230 133.939 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -28.596 125.054 132.347 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -29.907 123.850 132.378 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -30.108 125.407 133.217 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.295 125.540 134.445 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -28.797 125.861 135.344 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -27.643 124.645 135.943 1.00 0.00 H new ATOM 1045 N GLN A 73 -29.273 120.313 135.513 1.00 0.00 N ATOM 1046 CA GLN A 73 -28.279 119.258 135.600 1.00 0.00 C ATOM 1047 C GLN A 73 -28.649 118.115 134.681 1.00 0.00 C ATOM 1048 O GLN A 73 -27.811 117.580 133.958 1.00 0.00 O ATOM 1049 CB GLN A 73 -28.172 118.751 137.040 1.00 0.00 C ATOM 1050 CG GLN A 73 -27.023 117.744 137.145 1.00 0.00 C ATOM 1051 CD GLN A 73 -26.881 117.264 138.586 1.00 0.00 C ATOM 1052 OE1 GLN A 73 -27.540 117.788 139.483 1.00 0.00 O ATOM 1053 NE2 GLN A 73 -26.054 116.293 138.861 1.00 0.00 N ATOM 0 H GLN A 73 -29.836 120.435 136.355 1.00 0.00 H new ATOM 0 HA GLN A 73 -27.315 119.663 135.293 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -28.000 119.586 137.719 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -29.109 118.282 137.342 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -27.211 116.895 136.487 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -26.093 118.205 136.813 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.509 115.861 138.115 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.952 115.966 139.822 1.00 0.00 H new ATOM 1062 N GLU A 74 -29.917 117.755 134.714 1.00 0.00 N ATOM 1063 CA GLU A 74 -30.407 116.680 133.878 1.00 0.00 C ATOM 1064 C GLU A 74 -30.396 117.106 132.421 1.00 0.00 C ATOM 1065 O GLU A 74 -30.103 116.315 131.523 1.00 0.00 O ATOM 1066 CB GLU A 74 -31.830 116.326 134.290 1.00 0.00 C ATOM 1067 CG GLU A 74 -32.284 115.051 133.571 1.00 0.00 C ATOM 1068 CD GLU A 74 -31.497 113.851 134.087 1.00 0.00 C ATOM 1069 OE1 GLU A 74 -31.018 113.919 135.206 1.00 0.00 O ATOM 1070 OE2 GLU A 74 -31.384 112.882 133.354 1.00 0.00 O1- ATOM 0 H GLU A 74 -30.623 118.190 135.308 1.00 0.00 H new ATOM 0 HA GLU A 74 -29.761 115.811 134.001 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -31.879 116.181 135.369 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -32.503 117.149 134.048 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -33.350 114.893 133.732 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -32.137 115.158 132.496 1.00 0.00 H new ATOM 1077 N ALA A 75 -30.717 118.367 132.208 1.00 0.00 N ATOM 1078 CA ALA A 75 -30.750 118.934 130.873 1.00 0.00 C ATOM 1079 C ALA A 75 -29.339 119.211 130.382 1.00 0.00 C ATOM 1080 O ALA A 75 -29.129 119.544 129.219 1.00 0.00 O ATOM 1081 CB ALA A 75 -31.545 120.239 130.898 1.00 0.00 C ATOM 0 H ALA A 75 -30.961 119.024 132.949 1.00 0.00 H new ATOM 0 HA ALA A 75 -31.225 118.223 130.197 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -31.572 120.668 129.896 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -32.562 120.039 131.234 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -31.069 120.942 131.581 1.00 0.00 H new ATOM 1087 N SER A 76 -28.380 119.107 131.291 1.00 0.00 N ATOM 1088 CA SER A 76 -26.990 119.393 130.944 1.00 0.00 C ATOM 1089 C SER A 76 -26.481 118.501 129.813 1.00 0.00 C ATOM 1090 O SER A 76 -25.910 118.994 128.838 1.00 0.00 O ATOM 1091 CB SER A 76 -26.103 119.193 132.172 1.00 0.00 C ATOM 1092 OG SER A 76 -25.996 117.804 132.454 1.00 0.00 O ATOM 0 H SER A 76 -28.532 118.831 132.261 1.00 0.00 H new ATOM 0 HA SER A 76 -26.947 120.427 130.602 1.00 0.00 H new ATOM 0 HB2 SER A 76 -25.115 119.617 131.994 1.00 0.00 H new ATOM 0 HB3 SER A 76 -26.525 119.718 133.029 1.00 0.00 H new ATOM 0 HG SER A 76 -26.862 117.465 132.763 1.00 0.00 H new ATOM 1098 N GLY A 77 -26.693 117.196 129.937 1.00 0.00 N ATOM 1099 CA GLY A 77 -26.230 116.267 128.913 1.00 0.00 C ATOM 1100 C GLY A 77 -26.844 116.596 127.562 1.00 0.00 C ATOM 1101 O GLY A 77 -26.190 116.488 126.525 1.00 0.00 O ATOM 0 H GLY A 77 -27.175 116.762 130.724 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -25.143 116.310 128.843 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -26.491 115.248 129.197 1.00 0.00 H new ATOM 1105 N PHE A 78 -28.102 117.000 127.584 1.00 0.00 N ATOM 1106 CA PHE A 78 -28.805 117.350 126.361 1.00 0.00 C ATOM 1107 C PHE A 78 -28.182 118.568 125.689 1.00 0.00 C ATOM 1108 O PHE A 78 -28.012 118.593 124.473 1.00 0.00 O ATOM 1109 CB PHE A 78 -30.260 117.653 126.691 1.00 0.00 C ATOM 1110 CG PHE A 78 -30.967 116.378 127.085 1.00 0.00 C ATOM 1111 CD1 PHE A 78 -30.851 115.885 128.390 1.00 0.00 C ATOM 1112 CD2 PHE A 78 -31.744 115.691 126.144 1.00 0.00 C ATOM 1113 CE1 PHE A 78 -31.511 114.704 128.753 1.00 0.00 C ATOM 1114 CE2 PHE A 78 -32.403 114.510 126.508 1.00 0.00 C ATOM 1115 CZ PHE A 78 -32.286 114.016 127.812 1.00 0.00 C ATOM 0 H PHE A 78 -28.658 117.094 128.434 1.00 0.00 H new ATOM 0 HA PHE A 78 -28.735 116.507 125.674 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -30.316 118.377 127.504 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -30.753 118.102 125.829 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -30.253 116.415 129.117 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -31.835 116.072 125.138 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -31.422 114.324 129.760 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -33.002 113.980 125.782 1.00 0.00 H new ATOM 0 HZ PHE A 78 -32.793 113.105 128.092 1.00 0.00 H new ATOM 1125 N ILE A 79 -27.853 119.580 126.485 1.00 0.00 N ATOM 1126 CA ILE A 79 -27.262 120.795 125.937 1.00 0.00 C ATOM 1127 C ILE A 79 -25.925 120.498 125.288 1.00 0.00 C ATOM 1128 O ILE A 79 -25.608 121.008 124.219 1.00 0.00 O ATOM 1129 CB ILE A 79 -27.069 121.828 127.055 1.00 0.00 C ATOM 1130 CG1 ILE A 79 -28.438 122.253 127.593 1.00 0.00 C ATOM 1131 CG2 ILE A 79 -26.314 123.057 126.520 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -28.255 122.998 128.917 1.00 0.00 C ATOM 0 H ILE A 79 -27.983 119.584 127.497 1.00 0.00 H new ATOM 0 HA ILE A 79 -27.937 121.194 125.180 1.00 0.00 H new ATOM 0 HB ILE A 79 -26.483 121.381 127.858 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -28.942 122.893 126.869 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -29.071 121.378 127.740 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -26.184 123.782 127.323 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -25.337 122.750 126.147 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -26.885 123.511 125.710 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -29.229 123.301 129.301 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -27.768 122.343 129.639 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -27.638 123.882 128.755 1.00 0.00 H new ATOM 1144 N ARG A 80 -25.147 119.683 125.963 1.00 0.00 N ATOM 1145 CA ARG A 80 -23.818 119.326 125.472 1.00 0.00 C ATOM 1146 C ARG A 80 -23.895 118.578 124.154 1.00 0.00 C ATOM 1147 O ARG A 80 -23.171 118.874 123.204 1.00 0.00 O ATOM 1148 CB ARG A 80 -23.116 118.448 126.504 1.00 0.00 C ATOM 1149 CG ARG A 80 -21.683 118.159 126.048 1.00 0.00 C ATOM 1150 CD ARG A 80 -20.944 117.393 127.147 1.00 0.00 C ATOM 1151 NE ARG A 80 -21.490 116.047 127.279 1.00 0.00 N ATOM 1152 CZ ARG A 80 -21.269 115.122 126.351 1.00 0.00 C ATOM 1153 NH1 ARG A 80 -21.768 113.925 126.491 1.00 0.00 N1+ ATOM 1154 NH2 ARG A 80 -20.551 115.411 125.300 1.00 0.00 N ATOM 0 H ARG A 80 -25.402 119.252 126.851 1.00 0.00 H new ATOM 0 HA ARG A 80 -23.258 120.248 125.311 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -23.106 118.947 127.473 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -23.662 117.514 126.632 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -21.693 117.576 125.127 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -21.164 119.092 125.828 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -19.881 117.340 126.912 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -21.035 117.924 128.094 1.00 0.00 H new ATOM 0 HE ARG A 80 -22.051 115.812 128.098 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -22.328 113.699 127.313 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -21.598 113.215 125.778 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.160 116.347 125.191 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.381 114.701 124.587 1.00 0.00 H new ATOM 1168 N SER A 81 -24.777 117.604 124.124 1.00 0.00 N ATOM 1169 CA SER A 81 -24.975 116.785 122.950 1.00 0.00 C ATOM 1170 C SER A 81 -25.651 117.572 121.853 1.00 0.00 C ATOM 1171 O SER A 81 -25.358 117.410 120.674 1.00 0.00 O ATOM 1172 CB SER A 81 -25.856 115.607 123.325 1.00 0.00 C ATOM 1173 OG SER A 81 -25.888 114.674 122.252 1.00 0.00 O ATOM 0 H SER A 81 -25.376 117.358 124.912 1.00 0.00 H new ATOM 0 HA SER A 81 -24.005 116.445 122.588 1.00 0.00 H new ATOM 0 HB2 SER A 81 -25.474 115.127 124.226 1.00 0.00 H new ATOM 0 HB3 SER A 81 -26.865 115.952 123.550 1.00 0.00 H new ATOM 0 HG SER A 81 -26.456 113.914 122.496 1.00 0.00 H new ATOM 1179 N LEU A 82 -26.575 118.413 122.271 1.00 0.00 N ATOM 1180 CA LEU A 82 -27.334 119.222 121.351 1.00 0.00 C ATOM 1181 C LEU A 82 -26.444 120.230 120.664 1.00 0.00 C ATOM 1182 O LEU A 82 -26.606 120.524 119.480 1.00 0.00 O ATOM 1183 CB LEU A 82 -28.457 119.930 122.119 1.00 0.00 C ATOM 1184 CG LEU A 82 -29.221 120.907 121.210 1.00 0.00 C ATOM 1185 CD1 LEU A 82 -29.723 120.182 119.948 1.00 0.00 C ATOM 1186 CD2 LEU A 82 -30.422 121.475 121.985 1.00 0.00 C ATOM 0 H LEU A 82 -26.817 118.552 123.252 1.00 0.00 H new ATOM 0 HA LEU A 82 -27.766 118.583 120.581 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -29.147 119.190 122.524 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -28.037 120.471 122.967 1.00 0.00 H new ATOM 0 HG LEU A 82 -28.553 121.714 120.909 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -30.262 120.886 119.314 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -28.873 119.776 119.399 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -30.390 119.369 120.236 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -30.970 122.169 121.348 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -31.081 120.660 122.284 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -30.067 121.999 122.872 1.00 0.00 H new ATOM 1198 N LEU A 83 -25.509 120.756 121.422 1.00 0.00 N ATOM 1199 CA LEU A 83 -24.590 121.739 120.893 1.00 0.00 C ATOM 1200 C LEU A 83 -23.659 121.089 119.888 1.00 0.00 C ATOM 1201 O LEU A 83 -23.392 121.636 118.818 1.00 0.00 O ATOM 1202 CB LEU A 83 -23.783 122.357 122.050 1.00 0.00 C ATOM 1203 CG LEU A 83 -23.084 123.690 121.633 1.00 0.00 C ATOM 1204 CD1 LEU A 83 -22.838 124.563 122.870 1.00 0.00 C ATOM 1205 CD2 LEU A 83 -21.722 123.412 120.970 1.00 0.00 C ATOM 0 H LEU A 83 -25.365 120.521 122.404 1.00 0.00 H new ATOM 0 HA LEU A 83 -25.149 122.526 120.387 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -24.446 122.545 122.894 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -23.031 121.644 122.388 1.00 0.00 H new ATOM 0 HG LEU A 83 -23.740 124.200 120.927 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -22.350 125.490 122.570 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -23.790 124.792 123.349 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -22.199 124.028 123.572 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -21.255 124.356 120.689 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -21.077 122.883 121.672 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -21.869 122.800 120.080 1.00 0.00 H new ATOM 1217 N GLY A 84 -23.176 119.910 120.245 1.00 0.00 N ATOM 1218 CA GLY A 84 -22.277 119.180 119.382 1.00 0.00 C ATOM 1219 C GLY A 84 -23.009 118.669 118.165 1.00 0.00 C ATOM 1220 O GLY A 84 -22.475 118.647 117.064 1.00 0.00 O ATOM 0 H GLY A 84 -23.394 119.443 121.125 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.455 119.826 119.074 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.839 118.344 119.927 1.00 0.00 H new ATOM 1224 N LYS A 85 -24.233 118.241 118.397 1.00 0.00 N ATOM 1225 CA LYS A 85 -25.071 117.701 117.335 1.00 0.00 C ATOM 1226 C LYS A 85 -25.440 118.765 116.303 1.00 0.00 C ATOM 1227 O LYS A 85 -25.420 118.508 115.099 1.00 0.00 O ATOM 1228 CB LYS A 85 -26.336 117.107 117.959 1.00 0.00 C ATOM 1229 CG LYS A 85 -27.187 116.439 116.889 1.00 0.00 C ATOM 1230 CD LYS A 85 -28.438 115.843 117.536 1.00 0.00 C ATOM 1231 CE LYS A 85 -29.215 115.034 116.496 1.00 0.00 C ATOM 1232 NZ LYS A 85 -29.801 115.959 115.484 1.00 0.00 N1+ ATOM 0 H LYS A 85 -24.676 118.255 119.316 1.00 0.00 H new ATOM 0 HA LYS A 85 -24.510 116.928 116.810 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -26.065 116.380 118.725 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -26.910 117.892 118.453 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -27.469 117.165 116.127 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -26.615 115.658 116.389 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -28.158 115.204 118.374 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -29.066 116.638 117.937 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -28.554 114.317 116.009 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -30.005 114.461 116.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -30.477 115.439 114.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -30.293 116.737 115.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -29.042 116.347 114.888 1.00 0.00 H new ATOM 1246 N ALA A 86 -25.791 119.946 116.783 1.00 0.00 N ATOM 1247 CA ALA A 86 -26.185 121.037 115.893 1.00 0.00 C ATOM 1248 C ALA A 86 -25.004 121.501 115.057 1.00 0.00 C ATOM 1249 O ALA A 86 -25.128 121.713 113.850 1.00 0.00 O ATOM 1250 CB ALA A 86 -26.723 122.210 116.715 1.00 0.00 C ATOM 0 H ALA A 86 -25.813 120.178 117.776 1.00 0.00 H new ATOM 0 HA ALA A 86 -26.965 120.672 115.225 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -27.015 123.020 116.046 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -27.590 121.884 117.290 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -25.948 122.563 117.395 1.00 0.00 H new ATOM 1256 N MET A 87 -23.852 121.635 115.703 1.00 0.00 N ATOM 1257 CA MET A 87 -22.635 122.048 115.014 1.00 0.00 C ATOM 1258 C MET A 87 -21.989 120.822 114.389 1.00 0.00 C ATOM 1259 O MET A 87 -21.137 120.921 113.507 1.00 0.00 O ATOM 1260 CB MET A 87 -21.676 122.702 116.009 1.00 0.00 C ATOM 1261 CG MET A 87 -22.389 123.866 116.698 1.00 0.00 C ATOM 1262 SD MET A 87 -21.234 124.719 117.799 1.00 0.00 S ATOM 1263 CE MET A 87 -22.444 125.827 118.562 1.00 0.00 C ATOM 0 H MET A 87 -23.735 121.464 116.702 1.00 0.00 H new ATOM 0 HA MET A 87 -22.873 122.772 114.235 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.346 121.972 116.748 1.00 0.00 H new ATOM 0 HB3 MET A 87 -20.785 123.059 115.493 1.00 0.00 H new ATOM 0 HG2 MET A 87 -22.777 124.560 115.953 1.00 0.00 H new ATOM 0 HG3 MET A 87 -23.243 123.498 117.266 1.00 0.00 H new ATOM 0 HE1 MET A 87 -21.968 126.387 119.367 1.00 0.00 H new ATOM 0 HE2 MET A 87 -22.825 126.521 117.813 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.269 125.241 118.967 1.00 0.00 H new ATOM 1273 N ARG A 88 -22.417 119.663 114.876 1.00 0.00 N ATOM 1274 CA ARG A 88 -21.906 118.387 114.403 1.00 0.00 C ATOM 1275 C ARG A 88 -20.398 118.321 114.632 1.00 0.00 C ATOM 1276 O ARG A 88 -19.654 117.757 113.830 1.00 0.00 O ATOM 1277 CB ARG A 88 -22.233 118.220 112.911 1.00 0.00 C ATOM 1278 CG ARG A 88 -22.187 116.739 112.531 1.00 0.00 C ATOM 1279 CD ARG A 88 -22.441 116.583 111.030 1.00 0.00 C ATOM 1280 NE ARG A 88 -22.510 115.170 110.674 1.00 0.00 N ATOM 1281 CZ ARG A 88 -23.574 114.434 110.982 1.00 0.00 C ATOM 1282 NH1 ARG A 88 -23.612 113.173 110.651 1.00 0.00 N1+ ATOM 1283 NH2 ARG A 88 -24.579 114.974 111.614 1.00 0.00 N ATOM 0 H ARG A 88 -23.125 119.584 115.606 1.00 0.00 H new ATOM 0 HA ARG A 88 -22.379 117.576 114.957 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -23.221 118.629 112.698 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -21.519 118.782 112.308 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -21.216 116.317 112.791 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -22.937 116.185 113.096 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -23.372 117.080 110.758 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -21.644 117.069 110.467 1.00 0.00 H new ATOM 0 HE ARG A 88 -21.728 114.739 110.180 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -22.826 112.752 110.156 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -24.428 112.608 110.887 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -24.549 115.960 111.872 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -25.395 114.410 111.850 1.00 0.00 H new ATOM 1297 N LEU A 89 -19.963 118.922 115.743 1.00 0.00 N ATOM 1298 CA LEU A 89 -18.543 118.969 116.119 1.00 0.00 C ATOM 1299 C LEU A 89 -18.202 117.944 117.193 1.00 0.00 C ATOM 1300 O LEU A 89 -18.975 117.718 118.125 1.00 0.00 O ATOM 1301 CB LEU A 89 -18.217 120.360 116.657 1.00 0.00 C ATOM 1302 CG LEU A 89 -18.377 121.415 115.553 1.00 0.00 C ATOM 1303 CD1 LEU A 89 -18.290 122.808 116.191 1.00 0.00 C ATOM 1304 CD2 LEU A 89 -17.270 121.258 114.478 1.00 0.00 C ATOM 0 H LEU A 89 -20.581 119.389 116.407 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.956 118.740 115.229 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.876 120.597 117.493 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -17.197 120.378 117.040 1.00 0.00 H new ATOM 0 HG LEU A 89 -19.343 121.283 115.065 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -18.402 123.569 115.419 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -19.084 122.920 116.929 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.322 122.925 116.678 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -17.403 122.016 113.706 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.292 121.381 114.943 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.337 120.267 114.029 1.00 0.00 H new ATOM 1316 N ARG A 90 -17.013 117.349 117.065 1.00 0.00 N ATOM 1317 CA ARG A 90 -16.517 116.362 118.032 1.00 0.00 C ATOM 1318 C ARG A 90 -15.503 117.021 118.965 1.00 0.00 C ATOM 1319 O ARG A 90 -15.098 116.440 119.972 1.00 0.00 O ATOM 1320 CB ARG A 90 -15.850 115.200 117.290 1.00 0.00 C ATOM 1321 CG ARG A 90 -14.595 115.700 116.569 1.00 0.00 C ATOM 1322 CD ARG A 90 -14.092 114.617 115.613 1.00 0.00 C ATOM 1323 NE ARG A 90 -12.829 115.026 115.006 1.00 0.00 N ATOM 1324 CZ ARG A 90 -12.274 114.315 114.031 1.00 0.00 C ATOM 1325 NH1 ARG A 90 -11.144 114.699 113.506 1.00 0.00 N1+ ATOM 1326 NH2 ARG A 90 -12.859 113.232 113.599 1.00 0.00 N ATOM 0 H ARG A 90 -16.370 117.535 116.295 1.00 0.00 H new ATOM 0 HA ARG A 90 -17.354 115.983 118.617 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.587 114.410 117.993 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.546 114.768 116.571 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.819 116.613 116.017 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.820 115.949 117.294 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.958 113.680 116.153 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.835 114.434 114.836 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.365 115.872 115.336 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.686 115.545 113.844 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.718 114.153 112.757 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.743 112.931 114.010 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.433 112.686 112.850 1.00 0.00 H new ATOM 1340 N ILE A 91 -15.097 118.244 118.615 1.00 0.00 N ATOM 1341 CA ILE A 91 -14.124 118.991 119.417 1.00 0.00 C ATOM 1342 C ILE A 91 -14.801 119.698 120.589 1.00 0.00 C ATOM 1343 O ILE A 91 -14.242 120.629 121.168 1.00 0.00 O ATOM 1344 CB ILE A 91 -13.396 120.018 118.541 1.00 0.00 C ATOM 1345 CG1 ILE A 91 -14.414 120.918 117.824 1.00 0.00 C ATOM 1346 CG2 ILE A 91 -12.543 119.283 117.503 1.00 0.00 C ATOM 1347 CD1 ILE A 91 -13.705 122.159 117.275 1.00 0.00 C ATOM 0 H ILE A 91 -15.425 118.737 117.785 1.00 0.00 H new ATOM 0 HA ILE A 91 -13.402 118.280 119.818 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.758 120.638 119.171 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -14.890 120.370 117.011 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -15.203 121.214 118.515 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -12.024 120.010 116.878 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.812 118.654 118.012 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.185 118.661 116.879 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.429 122.796 116.767 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -13.249 122.711 118.097 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.932 121.854 116.570 1.00 0.00 H new ATOM 1359 N VAL A 92 -16.006 119.258 120.925 1.00 0.00 N ATOM 1360 CA VAL A 92 -16.747 119.857 122.015 1.00 0.00 C ATOM 1361 C VAL A 92 -16.117 119.443 123.357 1.00 0.00 C ATOM 1362 O VAL A 92 -16.016 118.246 123.630 1.00 0.00 O ATOM 1363 CB VAL A 92 -18.197 119.370 121.978 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -18.988 120.037 123.106 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -18.826 119.735 120.632 1.00 0.00 C ATOM 0 H VAL A 92 -16.486 118.490 120.457 1.00 0.00 H new ATOM 0 HA VAL A 92 -16.718 120.942 121.912 1.00 0.00 H new ATOM 0 HB VAL A 92 -18.219 118.288 122.107 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -20.021 119.690 123.080 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -18.542 119.777 124.066 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -18.965 121.119 122.976 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -19.859 119.388 120.607 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -18.804 120.817 120.501 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -18.264 119.261 119.827 1.00 0.00 H new ATOM 1375 N PRO A 93 -15.692 120.361 124.204 1.00 0.00 N ATOM 1376 CA PRO A 93 -15.077 119.991 125.513 1.00 0.00 C ATOM 1377 C PRO A 93 -16.137 119.595 126.532 1.00 0.00 C ATOM 1378 O PRO A 93 -17.301 119.977 126.401 1.00 0.00 O ATOM 1379 CB PRO A 93 -14.359 121.278 125.929 1.00 0.00 C ATOM 1380 CG PRO A 93 -15.224 122.361 125.380 1.00 0.00 C ATOM 1381 CD PRO A 93 -15.742 121.832 124.041 1.00 0.00 C ATOM 0 HA PRO A 93 -14.412 119.130 125.446 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.265 121.351 127.012 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -13.351 121.324 125.518 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.047 122.587 126.058 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.660 123.284 125.245 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -16.755 122.179 123.838 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.119 122.165 123.211 1.00 0.00 H new ATOM 1389 N GLU A 94 -15.740 118.854 127.557 1.00 0.00 N ATOM 1390 CA GLU A 94 -16.698 118.466 128.576 1.00 0.00 C ATOM 1391 C GLU A 94 -17.244 119.735 129.210 1.00 0.00 C ATOM 1392 O GLU A 94 -16.479 120.608 129.609 1.00 0.00 O ATOM 1393 CB GLU A 94 -16.021 117.599 129.640 1.00 0.00 C ATOM 1394 CG GLU A 94 -17.075 117.048 130.603 1.00 0.00 C ATOM 1395 CD GLU A 94 -17.961 116.037 129.884 1.00 0.00 C ATOM 1396 OE1 GLU A 94 -17.502 115.465 128.908 1.00 0.00 O ATOM 1397 OE2 GLU A 94 -19.085 115.849 130.317 1.00 0.00 O1- ATOM 0 H GLU A 94 -14.788 118.518 127.702 1.00 0.00 H new ATOM 0 HA GLU A 94 -17.505 117.884 128.130 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -15.483 116.778 129.166 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.285 118.187 130.188 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -16.588 116.575 131.456 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -17.683 117.863 130.995 1.00 0.00 H new ATOM 1404 N LEU A 95 -18.568 119.856 129.281 1.00 0.00 N ATOM 1405 CA LEU A 95 -19.195 121.056 129.847 1.00 0.00 C ATOM 1406 C LEU A 95 -19.541 120.859 131.312 1.00 0.00 C ATOM 1407 O LEU A 95 -20.165 119.868 131.693 1.00 0.00 O ATOM 1408 CB LEU A 95 -20.477 121.378 129.075 1.00 0.00 C ATOM 1409 CG LEU A 95 -20.189 121.447 127.569 1.00 0.00 C ATOM 1410 CD1 LEU A 95 -21.476 121.841 126.831 1.00 0.00 C ATOM 1411 CD2 LEU A 95 -19.085 122.484 127.281 1.00 0.00 C ATOM 0 H LEU A 95 -19.225 119.146 128.958 1.00 0.00 H new ATOM 0 HA LEU A 95 -18.484 121.878 129.763 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -21.230 120.616 129.274 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -20.887 122.328 129.418 1.00 0.00 H new ATOM 0 HG LEU A 95 -19.847 120.472 127.223 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -21.280 121.892 125.760 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -22.248 121.096 127.023 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -21.815 122.815 127.185 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -18.892 122.522 126.209 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -19.409 123.466 127.626 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -18.172 122.199 127.804 1.00 0.00 H new ATOM 1423 N THR A 96 -19.151 121.840 132.130 1.00 0.00 N ATOM 1424 CA THR A 96 -19.431 121.827 133.577 1.00 0.00 C ATOM 1425 C THR A 96 -20.357 122.996 133.910 1.00 0.00 C ATOM 1426 O THR A 96 -20.074 124.137 133.557 1.00 0.00 O ATOM 1427 CB THR A 96 -18.105 121.940 134.351 1.00 0.00 C ATOM 1428 OG1 THR A 96 -17.416 120.700 134.278 1.00 0.00 O ATOM 1429 CG2 THR A 96 -18.356 122.303 135.820 1.00 0.00 C ATOM 0 H THR A 96 -18.636 122.662 131.816 1.00 0.00 H new ATOM 0 HA THR A 96 -19.920 120.896 133.864 1.00 0.00 H new ATOM 0 HB THR A 96 -17.504 122.730 133.902 1.00 0.00 H new ATOM 0 HG1 THR A 96 -16.570 120.767 134.768 1.00 0.00 H new ATOM 0 HG21 THR A 96 -17.403 122.377 136.344 1.00 0.00 H new ATOM 0 HG22 THR A 96 -18.875 123.260 135.875 1.00 0.00 H new ATOM 0 HG23 THR A 96 -18.968 121.531 136.286 1.00 0.00 H new ATOM 1437 N PHE A 97 -21.474 122.700 134.587 1.00 0.00 N ATOM 1438 CA PHE A 97 -22.459 123.731 134.959 1.00 0.00 C ATOM 1439 C PHE A 97 -22.395 124.053 136.442 1.00 0.00 C ATOM 1440 O PHE A 97 -22.491 123.165 137.290 1.00 0.00 O ATOM 1441 CB PHE A 97 -23.861 123.233 134.606 1.00 0.00 C ATOM 1442 CG PHE A 97 -23.958 123.040 133.111 1.00 0.00 C ATOM 1443 CD1 PHE A 97 -23.624 121.805 132.542 1.00 0.00 C ATOM 1444 CD2 PHE A 97 -24.377 124.097 132.292 1.00 0.00 C ATOM 1445 CE1 PHE A 97 -23.708 121.627 131.156 1.00 0.00 C ATOM 1446 CE2 PHE A 97 -24.462 123.917 130.906 1.00 0.00 C ATOM 1447 CZ PHE A 97 -24.127 122.683 130.339 1.00 0.00 C ATOM 0 H PHE A 97 -21.720 121.757 134.889 1.00 0.00 H new ATOM 0 HA PHE A 97 -22.228 124.642 134.407 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -24.066 122.294 135.120 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -24.610 123.950 134.941 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -23.302 120.990 133.172 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -24.634 125.050 132.730 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -23.449 120.675 130.717 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -24.786 124.731 130.275 1.00 0.00 H new ATOM 0 HZ PHE A 97 -24.192 122.545 129.270 1.00 0.00 H new ATOM 1457 N PHE A 98 -22.250 125.349 136.748 1.00 0.00 N ATOM 1458 CA PHE A 98 -22.190 125.829 138.140 1.00 0.00 C ATOM 1459 C PHE A 98 -23.343 126.790 138.404 1.00 0.00 C ATOM 1460 O PHE A 98 -23.701 127.593 137.542 1.00 0.00 O ATOM 1461 CB PHE A 98 -20.868 126.554 138.390 1.00 0.00 C ATOM 1462 CG PHE A 98 -20.742 126.865 139.863 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -20.131 125.943 140.720 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -21.242 128.070 140.372 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -20.017 126.226 142.087 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -21.128 128.352 141.740 1.00 0.00 C ATOM 1467 CZ PHE A 98 -20.514 127.431 142.596 1.00 0.00 C ATOM 0 H PHE A 98 -22.172 126.088 136.049 1.00 0.00 H new ATOM 0 HA PHE A 98 -22.265 124.972 138.809 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -20.033 125.934 138.064 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -20.828 127.474 137.807 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -19.747 125.013 140.327 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -21.715 128.781 139.711 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -19.545 125.514 142.748 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -21.514 129.281 142.134 1.00 0.00 H new ATOM 0 HZ PHE A 98 -20.424 127.650 143.650 1.00 0.00 H new ATOM 1477 N TYR A 99 -23.922 126.707 139.605 1.00 0.00 N ATOM 1478 CA TYR A 99 -25.046 127.575 139.998 1.00 0.00 C ATOM 1479 C TYR A 99 -24.579 128.626 141.000 1.00 0.00 C ATOM 1480 O TYR A 99 -23.891 128.312 141.971 1.00 0.00 O ATOM 1481 CB TYR A 99 -26.153 126.717 140.617 1.00 0.00 C ATOM 1482 CG TYR A 99 -25.621 126.005 141.841 1.00 0.00 C ATOM 1483 CD1 TYR A 99 -24.782 124.894 141.688 1.00 0.00 C ATOM 1484 CD2 TYR A 99 -25.970 126.444 143.125 1.00 0.00 C ATOM 1485 CE1 TYR A 99 -24.292 124.224 142.814 1.00 0.00 C ATOM 1486 CE2 TYR A 99 -25.478 125.773 144.252 1.00 0.00 C ATOM 1487 CZ TYR A 99 -24.640 124.664 144.096 1.00 0.00 C ATOM 1488 OH TYR A 99 -24.156 124.004 145.207 1.00 0.00 O ATOM 0 H TYR A 99 -23.633 126.047 140.327 1.00 0.00 H new ATOM 0 HA TYR A 99 -25.430 128.086 139.115 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -27.003 127.343 140.889 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -26.513 125.990 139.889 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -24.513 124.554 140.699 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -26.618 127.299 143.246 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.645 123.367 142.694 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -25.746 126.112 145.242 1.00 0.00 H new ATOM 0 HH TYR A 99 -24.493 124.439 146.018 1.00 0.00 H new ATOM 1498 N ASP A 100 -24.951 129.881 140.746 1.00 0.00 N ATOM 1499 CA ASP A 100 -24.558 130.987 141.620 1.00 0.00 C ATOM 1500 C ASP A 100 -25.495 131.104 142.819 1.00 0.00 C ATOM 1501 O ASP A 100 -26.709 131.247 142.660 1.00 0.00 O ATOM 1502 CB ASP A 100 -24.578 132.298 140.834 1.00 0.00 C ATOM 1503 CG ASP A 100 -24.034 133.432 141.697 1.00 0.00 C ATOM 1504 OD1 ASP A 100 -23.579 133.151 142.793 1.00 0.00 O ATOM 1505 OD2 ASP A 100 -24.083 134.566 141.250 1.00 0.00 O1- ATOM 0 H ASP A 100 -25.521 130.156 139.946 1.00 0.00 H new ATOM 0 HA ASP A 100 -23.551 130.786 141.986 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -23.978 132.198 139.929 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -25.596 132.527 140.518 1.00 0.00 H new