USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1076 hydrogens (28 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 65 GLN : amide:sc= -0.105 K(o=-0.12,f=-2.9!) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.0118 USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= 0.676 USER MOD Set 2.2: A 97 THR OG1 : rot -121:sc= 0.556 USER MOD Single : A 6 SER OG : rot -127:sc= 0.362 USER MOD Single : A 9 SER OG : rot 180:sc= -1.09 USER MOD Single : A 15 LYS NZ :NH3+ 145:sc= -0.793 (180deg=-2.97!) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.056) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0084) USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= -0.461 (180deg=-1.13) USER MOD Single : A 28 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-8.1!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.165 USER MOD Single : A 47 ASN : amide:sc= 0.023 K(o=0.023,f=-0.78) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 54 SER OG : rot 180:sc= -0.619 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.869 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.0018) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.26 USER MOD Single : A 77 SER OG : rot -144:sc= 0.0103 USER MOD Single : A 80 ASN : amide:sc= -0.0677 X(o=-0.068,f=0) USER MOD Single : A 81 THR OG1 : rot -130:sc= -0.883 USER MOD Single : A 86 TYR OH : rot 180:sc=-0.00538 USER MOD Single : A 87 CYS SG : rot 88:sc= 0.423 USER MOD Single : A 89 HIS : no HE2:sc= -1.28! C(o=-1.2!,f=-4.4!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0363) USER MOD Single : A 108 GLN : amide:sc= -0.0478 K(o=-0.048,f=-0.65) USER MOD Single : A 109 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.24) USER MOD Single : A 122 THR OG1 : rot 54:sc= 0.142 USER MOD Single : A 124 ASN : amide:sc= -0.0656 X(o=-0.066,f=-0.29) USER MOD Single : A 125 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.2!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.0988 X(o=-0.099,f=-0.43) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -149:sc= 0.068 USER MOD Single : A 300 PBU O3 : rot -162:sc= 0.082 USER MOD Single : A 300 PBU O6 : rot 21:sc= 0.0645 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -3.449 1.287 -4.292 1.00 13.00 N ATOM 2 CA GLY A 2 -4.155 1.249 -3.026 1.00 45.03 C ATOM 3 C GLY A 2 -3.434 0.419 -1.983 1.00 1.21 C ATOM 4 O GLY A 2 -3.762 -0.748 -1.774 1.00 73.24 O ATOM 0 HA2 GLY A 2 -4.280 2.266 -2.653 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -5.154 0.841 -3.183 1.00 45.03 H new ATOM 8 N ALA A 3 -2.446 1.022 -1.329 1.00 64.05 N ATOM 9 CA ALA A 3 -1.677 0.331 -0.302 1.00 51.25 C ATOM 10 C ALA A 3 -1.209 1.300 0.780 1.00 24.44 C ATOM 11 O ALA A 3 -1.459 2.502 0.698 1.00 32.10 O ATOM 12 CB ALA A 3 -0.485 -0.381 -0.925 1.00 15.04 C ATOM 0 H ALA A 3 -2.160 1.987 -1.493 1.00 64.05 H new ATOM 0 HA ALA A 3 -2.326 -0.409 0.166 1.00 51.25 H new ATOM 0 HB1 ALA A 3 0.081 -0.893 -0.146 1.00 15.04 H new ATOM 0 HB2 ALA A 3 -0.837 -1.109 -1.656 1.00 15.04 H new ATOM 0 HB3 ALA A 3 0.157 0.348 -1.420 1.00 15.04 H new ATOM 18 N ARG A 4 -0.533 0.767 1.792 1.00 52.52 N ATOM 19 CA ARG A 4 -0.034 1.584 2.891 1.00 51.33 C ATOM 20 C ARG A 4 0.771 2.770 2.365 1.00 21.41 C ATOM 21 O ARG A 4 1.903 2.611 1.910 1.00 53.21 O ATOM 22 CB ARG A 4 0.833 0.742 3.829 1.00 14.01 C ATOM 23 CG ARG A 4 0.097 0.257 5.067 1.00 12.44 C ATOM 24 CD ARG A 4 0.243 -1.245 5.250 1.00 1.32 C ATOM 25 NE ARG A 4 -0.606 -1.751 6.324 1.00 72.04 N ATOM 26 CZ ARG A 4 -1.926 -1.864 6.227 1.00 33.13 C ATOM 27 NH1 ARG A 4 -2.544 -1.509 5.108 1.00 60.44 N ATOM 28 NH2 ARG A 4 -2.630 -2.334 7.249 1.00 31.22 N ATOM 0 H ARG A 4 -0.318 -0.227 1.874 1.00 52.52 H new ATOM 0 HA ARG A 4 -0.892 1.965 3.445 1.00 51.33 H new ATOM 0 HB2 ARG A 4 1.214 -0.120 3.282 1.00 14.01 H new ATOM 0 HB3 ARG A 4 1.697 1.331 4.138 1.00 14.01 H new ATOM 0 HG2 ARG A 4 0.485 0.771 5.947 1.00 12.44 H new ATOM 0 HG3 ARG A 4 -0.959 0.514 4.987 1.00 12.44 H new ATOM 0 HD2 ARG A 4 -0.012 -1.750 4.318 1.00 1.32 H new ATOM 0 HD3 ARG A 4 1.284 -1.484 5.468 1.00 1.32 H new ATOM 0 HE ARG A 4 -0.161 -2.033 7.197 1.00 72.04 H new ATOM 0 HH11 ARG A 4 -2.005 -1.149 4.320 1.00 60.44 H new ATOM 0 HH12 ARG A 4 -3.558 -1.597 5.035 1.00 60.44 H new ATOM 0 HH21 ARG A 4 -2.158 -2.609 8.110 1.00 31.22 H new ATOM 0 HH22 ARG A 4 -3.644 -2.420 7.173 1.00 31.22 H new ATOM 42 N ALA A 5 0.177 3.957 2.429 1.00 50.32 N ATOM 43 CA ALA A 5 0.838 5.168 1.961 1.00 13.54 C ATOM 44 C ALA A 5 0.129 6.416 2.478 1.00 32.22 C ATOM 45 O ALA A 5 -0.839 6.324 3.232 1.00 60.33 O ATOM 46 CB ALA A 5 0.897 5.183 0.440 1.00 40.44 C ATOM 0 H ALA A 5 -0.761 4.105 2.801 1.00 50.32 H new ATOM 0 HA ALA A 5 1.855 5.172 2.353 1.00 13.54 H new ATOM 0 HB1 ALA A 5 1.393 6.093 0.104 1.00 40.44 H new ATOM 0 HB2 ALA A 5 1.455 4.315 0.089 1.00 40.44 H new ATOM 0 HB3 ALA A 5 -0.115 5.151 0.036 1.00 40.44 H new ATOM 52 N SER A 6 0.617 7.582 2.066 1.00 75.31 N ATOM 53 CA SER A 6 0.033 8.848 2.491 1.00 62.22 C ATOM 54 C SER A 6 -0.514 9.622 1.295 1.00 41.32 C ATOM 55 O SER A 6 -0.040 9.466 0.170 1.00 21.40 O ATOM 56 CB SER A 6 1.073 9.693 3.227 1.00 73.34 C ATOM 57 OG SER A 6 0.715 11.064 3.220 1.00 62.52 O ATOM 0 H SER A 6 1.415 7.676 1.438 1.00 75.31 H new ATOM 0 HA SER A 6 -0.792 8.630 3.169 1.00 62.22 H new ATOM 0 HB2 SER A 6 1.168 9.344 4.255 1.00 73.34 H new ATOM 0 HB3 SER A 6 2.048 9.566 2.756 1.00 73.34 H new ATOM 0 HG SER A 6 1.465 11.596 2.880 1.00 62.52 H new ATOM 63 N VAL A 7 -1.516 10.459 1.549 1.00 35.20 N ATOM 64 CA VAL A 7 -2.127 11.259 0.495 1.00 5.34 C ATOM 65 C VAL A 7 -1.258 12.461 0.142 1.00 55.12 C ATOM 66 O VAL A 7 -0.940 12.691 -1.026 1.00 24.42 O ATOM 67 CB VAL A 7 -3.526 11.756 0.907 1.00 65.01 C ATOM 68 CG1 VAL A 7 -4.138 12.606 -0.196 1.00 64.41 C ATOM 69 CG2 VAL A 7 -4.429 10.580 1.247 1.00 63.54 C ATOM 0 H VAL A 7 -1.921 10.600 2.475 1.00 35.20 H new ATOM 0 HA VAL A 7 -2.220 10.613 -0.378 1.00 5.34 H new ATOM 0 HB VAL A 7 -3.424 12.377 1.797 1.00 65.01 H new ATOM 0 HG11 VAL A 7 -5.126 12.948 0.114 1.00 64.41 H new ATOM 0 HG12 VAL A 7 -3.499 13.468 -0.388 1.00 64.41 H new ATOM 0 HG13 VAL A 7 -4.228 12.012 -1.105 1.00 64.41 H new ATOM 0 HG21 VAL A 7 -5.413 10.949 1.536 1.00 63.54 H new ATOM 0 HG22 VAL A 7 -4.526 9.932 0.376 1.00 63.54 H new ATOM 0 HG23 VAL A 7 -3.996 10.016 2.073 1.00 63.54 H new ATOM 79 N LEU A 8 -0.875 13.226 1.158 1.00 72.15 N ATOM 80 CA LEU A 8 -0.041 14.406 0.956 1.00 74.33 C ATOM 81 C LEU A 8 1.358 14.187 1.526 1.00 44.24 C ATOM 82 O LEU A 8 1.515 13.637 2.617 1.00 13.44 O ATOM 83 CB LEU A 8 -0.686 15.629 1.611 1.00 73.41 C ATOM 84 CG LEU A 8 -1.916 16.197 0.904 1.00 0.04 C ATOM 85 CD1 LEU A 8 -2.622 17.209 1.793 1.00 5.11 C ATOM 86 CD2 LEU A 8 -1.524 16.831 -0.422 1.00 21.03 C ATOM 0 H LEU A 8 -1.129 13.051 2.130 1.00 72.15 H new ATOM 0 HA LEU A 8 0.046 14.580 -0.116 1.00 74.33 H new ATOM 0 HB2 LEU A 8 -0.967 15.365 2.630 1.00 73.41 H new ATOM 0 HB3 LEU A 8 0.064 16.417 1.681 1.00 73.41 H new ATOM 0 HG LEU A 8 -2.606 15.378 0.702 1.00 0.04 H new ATOM 0 HD11 LEU A 8 -3.495 17.603 1.273 1.00 5.11 H new ATOM 0 HD12 LEU A 8 -2.938 16.724 2.717 1.00 5.11 H new ATOM 0 HD13 LEU A 8 -1.940 18.026 2.027 1.00 5.11 H new ATOM 0 HD21 LEU A 8 -2.413 17.230 -0.911 1.00 21.03 H new ATOM 0 HD22 LEU A 8 -0.814 17.639 -0.243 1.00 21.03 H new ATOM 0 HD23 LEU A 8 -1.064 16.079 -1.063 1.00 21.03 H new ATOM 98 N SER A 9 2.368 14.624 0.783 1.00 54.02 N ATOM 99 CA SER A 9 3.754 14.475 1.214 1.00 11.43 C ATOM 100 C SER A 9 4.084 15.458 2.334 1.00 60.00 C ATOM 101 O SER A 9 3.194 16.090 2.901 1.00 52.23 O ATOM 102 CB SER A 9 4.703 14.692 0.034 1.00 41.11 C ATOM 103 OG SER A 9 5.171 16.030 -0.006 1.00 62.23 O ATOM 0 H SER A 9 2.254 15.084 -0.120 1.00 54.02 H new ATOM 0 HA SER A 9 3.883 13.462 1.594 1.00 11.43 H new ATOM 0 HB2 SER A 9 5.549 14.010 0.114 1.00 41.11 H new ATOM 0 HB3 SER A 9 4.190 14.455 -0.898 1.00 41.11 H new ATOM 0 HG SER A 9 5.777 16.142 -0.768 1.00 62.23 H new ATOM 109 N GLY A 10 5.370 15.580 2.645 1.00 53.22 N ATOM 110 CA GLY A 10 5.796 16.487 3.696 1.00 23.34 C ATOM 111 C GLY A 10 5.460 17.932 3.385 1.00 63.04 C ATOM 112 O GLY A 10 4.691 18.566 4.107 1.00 45.31 O ATOM 0 H GLY A 10 6.125 15.068 2.189 1.00 53.22 H new ATOM 0 HA2 GLY A 10 5.321 16.200 4.634 1.00 23.34 H new ATOM 0 HA3 GLY A 10 6.872 16.390 3.841 1.00 23.34 H new ATOM 116 N GLY A 11 6.039 18.455 2.310 1.00 11.04 N ATOM 117 CA GLY A 11 5.785 19.831 1.926 1.00 35.02 C ATOM 118 C GLY A 11 4.311 20.110 1.705 1.00 32.31 C ATOM 119 O GLY A 11 3.832 21.207 1.987 1.00 55.25 O ATOM 0 H GLY A 11 6.680 17.951 1.697 1.00 11.04 H new ATOM 0 HA2 GLY A 11 6.165 20.497 2.701 1.00 35.02 H new ATOM 0 HA3 GLY A 11 6.335 20.057 1.013 1.00 35.02 H new ATOM 123 N GLU A 12 3.591 19.113 1.199 1.00 53.13 N ATOM 124 CA GLU A 12 2.164 19.259 0.939 1.00 62.45 C ATOM 125 C GLU A 12 1.373 19.274 2.244 1.00 2.21 C ATOM 126 O GLU A 12 0.400 20.016 2.385 1.00 12.41 O ATOM 127 CB GLU A 12 1.669 18.123 0.042 1.00 3.12 C ATOM 128 CG GLU A 12 2.594 17.820 -1.124 1.00 60.43 C ATOM 129 CD GLU A 12 1.964 16.891 -2.143 1.00 31.04 C ATOM 130 OE1 GLU A 12 2.112 15.660 -1.997 1.00 51.42 O ATOM 131 OE2 GLU A 12 1.322 17.396 -3.088 1.00 2.21 O ATOM 0 H GLU A 12 3.972 18.197 0.962 1.00 53.13 H new ATOM 0 HA GLU A 12 2.008 20.209 0.429 1.00 62.45 H new ATOM 0 HB2 GLU A 12 1.550 17.222 0.644 1.00 3.12 H new ATOM 0 HB3 GLU A 12 0.683 18.380 -0.345 1.00 3.12 H new ATOM 0 HG2 GLU A 12 2.874 18.753 -1.613 1.00 60.43 H new ATOM 0 HG3 GLU A 12 3.512 17.370 -0.747 1.00 60.43 H new ATOM 138 N LEU A 13 1.795 18.448 3.195 1.00 14.34 N ATOM 139 CA LEU A 13 1.126 18.365 4.489 1.00 31.52 C ATOM 140 C LEU A 13 1.060 19.734 5.157 1.00 33.03 C ATOM 141 O LEU A 13 -0.005 20.177 5.585 1.00 25.41 O ATOM 142 CB LEU A 13 1.854 17.375 5.399 1.00 75.01 C ATOM 143 CG LEU A 13 1.136 17.001 6.695 1.00 72.21 C ATOM 144 CD1 LEU A 13 -0.157 16.258 6.393 1.00 55.04 C ATOM 145 CD2 LEU A 13 2.041 16.159 7.583 1.00 54.35 C ATOM 0 H LEU A 13 2.597 17.826 3.095 1.00 14.34 H new ATOM 0 HA LEU A 13 0.108 18.014 4.322 1.00 31.52 H new ATOM 0 HB2 LEU A 13 2.040 16.462 4.834 1.00 75.01 H new ATOM 0 HB3 LEU A 13 2.827 17.795 5.654 1.00 75.01 H new ATOM 0 HG LEU A 13 0.889 17.919 7.229 1.00 72.21 H new ATOM 0 HD11 LEU A 13 -0.655 16.000 7.328 1.00 55.04 H new ATOM 0 HD12 LEU A 13 -0.811 16.894 5.797 1.00 55.04 H new ATOM 0 HD13 LEU A 13 0.068 15.347 5.838 1.00 55.04 H new ATOM 0 HD21 LEU A 13 1.513 15.902 8.501 1.00 54.35 H new ATOM 0 HD22 LEU A 13 2.319 15.246 7.057 1.00 54.35 H new ATOM 0 HD23 LEU A 13 2.940 16.725 7.828 1.00 54.35 H new ATOM 157 N ASP A 14 2.207 20.401 5.240 1.00 41.02 N ATOM 158 CA ASP A 14 2.279 21.723 5.853 1.00 60.11 C ATOM 159 C ASP A 14 1.302 22.686 5.187 1.00 31.23 C ATOM 160 O ASP A 14 0.425 23.249 5.840 1.00 42.34 O ATOM 161 CB ASP A 14 3.703 22.275 5.759 1.00 22.52 C ATOM 162 CG ASP A 14 4.574 21.829 6.917 1.00 21.40 C ATOM 163 OD1 ASP A 14 4.994 20.653 6.926 1.00 21.43 O ATOM 164 OD2 ASP A 14 4.836 22.657 7.814 1.00 75.41 O ATOM 0 H ASP A 14 3.098 20.048 4.891 1.00 41.02 H new ATOM 0 HA ASP A 14 2.004 21.624 6.903 1.00 60.11 H new ATOM 0 HB2 ASP A 14 4.155 21.949 4.822 1.00 22.52 H new ATOM 0 HB3 ASP A 14 3.667 23.364 5.734 1.00 22.52 H new ATOM 169 N LYS A 15 1.460 22.871 3.880 1.00 70.21 N ATOM 170 CA LYS A 15 0.593 23.765 3.123 1.00 41.42 C ATOM 171 C LYS A 15 -0.873 23.383 3.303 1.00 71.25 C ATOM 172 O LYS A 15 -1.733 24.247 3.475 1.00 74.14 O ATOM 173 CB LYS A 15 0.961 23.730 1.638 1.00 51.22 C ATOM 174 CG LYS A 15 0.109 24.648 0.778 1.00 34.50 C ATOM 175 CD LYS A 15 0.390 26.111 1.077 1.00 53.41 C ATOM 176 CE LYS A 15 -0.842 26.814 1.627 1.00 12.23 C ATOM 177 NZ LYS A 15 -1.869 27.038 0.572 1.00 70.13 N ATOM 0 H LYS A 15 2.181 22.413 3.323 1.00 70.21 H new ATOM 0 HA LYS A 15 0.736 24.777 3.503 1.00 41.42 H new ATOM 0 HB2 LYS A 15 2.009 24.009 1.525 1.00 51.22 H new ATOM 0 HB3 LYS A 15 0.862 22.708 1.272 1.00 51.22 H new ATOM 0 HG2 LYS A 15 0.305 24.447 -0.275 1.00 34.50 H new ATOM 0 HG3 LYS A 15 -0.946 24.436 0.952 1.00 34.50 H new ATOM 0 HD2 LYS A 15 1.205 26.186 1.797 1.00 53.41 H new ATOM 0 HD3 LYS A 15 0.721 26.612 0.167 1.00 53.41 H new ATOM 0 HE2 LYS A 15 -1.272 26.217 2.432 1.00 12.23 H new ATOM 0 HE3 LYS A 15 -0.551 27.771 2.060 1.00 12.23 H new ATOM 0 HZ1 LYS A 15 -2.818 26.943 0.986 1.00 70.13 H new ATOM 0 HZ2 LYS A 15 -1.758 27.993 0.176 1.00 70.13 H new ATOM 0 HZ3 LYS A 15 -1.749 26.334 -0.184 1.00 70.13 H new ATOM 191 N TRP A 16 -1.151 22.085 3.264 1.00 13.02 N ATOM 192 CA TRP A 16 -2.512 21.589 3.425 1.00 4.34 C ATOM 193 C TRP A 16 -3.163 22.180 4.670 1.00 62.13 C ATOM 194 O TRP A 16 -4.307 22.630 4.628 1.00 45.02 O ATOM 195 CB TRP A 16 -2.514 20.062 3.507 1.00 44.15 C ATOM 196 CG TRP A 16 -3.860 19.487 3.835 1.00 72.24 C ATOM 197 CD1 TRP A 16 -4.272 19.005 5.045 1.00 4.51 C ATOM 198 CD2 TRP A 16 -4.967 19.332 2.941 1.00 31.31 C ATOM 199 NE1 TRP A 16 -5.570 18.560 4.956 1.00 15.00 N ATOM 200 CE2 TRP A 16 -6.018 18.750 3.675 1.00 4.40 C ATOM 201 CE3 TRP A 16 -5.172 19.630 1.591 1.00 32.24 C ATOM 202 CZ2 TRP A 16 -7.254 18.461 3.104 1.00 13.25 C ATOM 203 CZ3 TRP A 16 -6.399 19.342 1.024 1.00 64.31 C ATOM 204 CH2 TRP A 16 -7.428 18.763 1.780 1.00 61.35 C ATOM 0 H TRP A 16 -0.451 21.357 3.122 1.00 13.02 H new ATOM 0 HA TRP A 16 -3.091 21.899 2.555 1.00 4.34 H new ATOM 0 HB2 TRP A 16 -2.174 19.654 2.555 1.00 44.15 H new ATOM 0 HB3 TRP A 16 -1.797 19.745 4.264 1.00 44.15 H new ATOM 0 HD1 TRP A 16 -3.667 18.978 5.940 1.00 4.51 H new ATOM 0 HE1 TRP A 16 -6.111 18.154 5.719 1.00 15.00 H new ATOM 0 HE3 TRP A 16 -4.386 20.077 1.001 1.00 32.24 H new ATOM 0 HZ2 TRP A 16 -8.048 18.014 3.685 1.00 13.25 H new ATOM 0 HZ3 TRP A 16 -6.568 19.567 -0.019 1.00 64.31 H new ATOM 0 HH2 TRP A 16 -8.376 18.551 1.309 1.00 61.35 H new ATOM 215 N GLU A 17 -2.427 22.175 5.776 1.00 72.33 N ATOM 216 CA GLU A 17 -2.935 22.711 7.034 1.00 71.32 C ATOM 217 C GLU A 17 -3.032 24.232 6.978 1.00 5.11 C ATOM 218 O GLU A 17 -3.716 24.853 7.792 1.00 12.32 O ATOM 219 CB GLU A 17 -2.032 22.289 8.195 1.00 74.03 C ATOM 220 CG GLU A 17 -2.280 20.869 8.675 1.00 63.02 C ATOM 221 CD GLU A 17 -1.831 20.650 10.107 1.00 20.20 C ATOM 222 OE1 GLU A 17 -2.244 21.435 10.986 1.00 11.43 O ATOM 223 OE2 GLU A 17 -1.067 19.692 10.348 1.00 62.23 O ATOM 0 H GLU A 17 -1.477 21.806 5.827 1.00 72.33 H new ATOM 0 HA GLU A 17 -3.934 22.306 7.194 1.00 71.32 H new ATOM 0 HB2 GLU A 17 -0.991 22.382 7.887 1.00 74.03 H new ATOM 0 HB3 GLU A 17 -2.181 22.976 9.028 1.00 74.03 H new ATOM 0 HG2 GLU A 17 -3.343 20.642 8.593 1.00 63.02 H new ATOM 0 HG3 GLU A 17 -1.754 20.172 8.023 1.00 63.02 H new ATOM 230 N LYS A 18 -2.342 24.827 6.011 1.00 1.23 N ATOM 231 CA LYS A 18 -2.351 26.276 5.845 1.00 15.12 C ATOM 232 C LYS A 18 -3.543 26.721 5.005 1.00 45.51 C ATOM 233 O LYS A 18 -3.812 27.917 4.876 1.00 62.35 O ATOM 234 CB LYS A 18 -1.048 26.742 5.188 1.00 63.32 C ATOM 235 CG LYS A 18 0.150 26.706 6.121 1.00 32.22 C ATOM 236 CD LYS A 18 1.453 26.886 5.361 1.00 75.32 C ATOM 237 CE LYS A 18 2.491 27.617 6.199 1.00 42.42 C ATOM 238 NZ LYS A 18 2.187 29.070 6.312 1.00 12.53 N ATOM 0 H LYS A 18 -1.769 24.328 5.330 1.00 1.23 H new ATOM 0 HA LYS A 18 -2.436 26.729 6.833 1.00 15.12 H new ATOM 0 HB2 LYS A 18 -0.842 26.113 4.322 1.00 63.32 H new ATOM 0 HB3 LYS A 18 -1.180 27.759 4.819 1.00 63.32 H new ATOM 0 HG2 LYS A 18 0.053 27.492 6.870 1.00 32.22 H new ATOM 0 HG3 LYS A 18 0.168 25.756 6.656 1.00 32.22 H new ATOM 0 HD2 LYS A 18 1.842 25.911 5.068 1.00 75.32 H new ATOM 0 HD3 LYS A 18 1.266 27.444 4.443 1.00 75.32 H new ATOM 0 HE2 LYS A 18 2.531 27.175 7.195 1.00 42.42 H new ATOM 0 HE3 LYS A 18 3.477 27.486 5.753 1.00 42.42 H new ATOM 0 HZ1 LYS A 18 3.021 29.572 6.679 1.00 12.53 H new ATOM 0 HZ2 LYS A 18 1.940 29.447 5.375 1.00 12.53 H new ATOM 0 HZ3 LYS A 18 1.387 29.208 6.962 1.00 12.53 H new ATOM 252 N ILE A 19 -4.255 25.754 4.437 1.00 33.34 N ATOM 253 CA ILE A 19 -5.421 26.048 3.612 1.00 75.44 C ATOM 254 C ILE A 19 -6.681 26.164 4.463 1.00 43.15 C ATOM 255 O ILE A 19 -6.915 25.351 5.358 1.00 41.21 O ATOM 256 CB ILE A 19 -5.638 24.965 2.538 1.00 72.14 C ATOM 257 CG1 ILE A 19 -4.392 24.828 1.662 1.00 72.03 C ATOM 258 CG2 ILE A 19 -6.856 25.297 1.690 1.00 12.52 C ATOM 259 CD1 ILE A 19 -4.301 23.499 0.944 1.00 1.43 C ATOM 0 H ILE A 19 -4.045 24.760 4.533 1.00 33.34 H new ATOM 0 HA ILE A 19 -5.228 27.002 3.121 1.00 75.44 H new ATOM 0 HB ILE A 19 -5.815 24.011 3.035 1.00 72.14 H new ATOM 0 HG12 ILE A 19 -4.386 25.631 0.925 1.00 72.03 H new ATOM 0 HG13 ILE A 19 -3.505 24.958 2.283 1.00 72.03 H new ATOM 0 HG21 ILE A 19 -6.996 24.523 0.936 1.00 12.52 H new ATOM 0 HG22 ILE A 19 -7.739 25.348 2.326 1.00 12.52 H new ATOM 0 HG23 ILE A 19 -6.706 26.259 1.199 1.00 12.52 H new ATOM 0 HD11 ILE A 19 -3.393 23.472 0.342 1.00 1.43 H new ATOM 0 HD12 ILE A 19 -4.275 22.691 1.675 1.00 1.43 H new ATOM 0 HD13 ILE A 19 -5.169 23.375 0.297 1.00 1.43 H new ATOM 271 N ARG A 20 -7.489 27.179 4.176 1.00 44.14 N ATOM 272 CA ARG A 20 -8.727 27.401 4.915 1.00 53.54 C ATOM 273 C ARG A 20 -9.915 26.782 4.185 1.00 33.12 C ATOM 274 O ARG A 20 -10.020 26.870 2.960 1.00 41.23 O ATOM 275 CB ARG A 20 -8.964 28.900 5.117 1.00 34.24 C ATOM 276 CG ARG A 20 -7.746 29.642 5.642 1.00 40.53 C ATOM 277 CD ARG A 20 -8.148 30.812 6.527 1.00 74.24 C ATOM 278 NE ARG A 20 -7.825 32.099 5.915 1.00 61.53 N ATOM 279 CZ ARG A 20 -8.056 33.268 6.499 1.00 11.40 C ATOM 280 NH1 ARG A 20 -8.606 33.315 7.704 1.00 42.24 N ATOM 281 NH2 ARG A 20 -7.734 34.396 5.878 1.00 24.21 N ATOM 0 H ARG A 20 -7.310 27.860 3.438 1.00 44.14 H new ATOM 0 HA ARG A 20 -8.630 26.920 5.889 1.00 53.54 H new ATOM 0 HB2 ARG A 20 -9.268 29.343 4.168 1.00 34.24 H new ATOM 0 HB3 ARG A 20 -9.791 29.038 5.813 1.00 34.24 H new ATOM 0 HG2 ARG A 20 -7.116 28.956 6.208 1.00 40.53 H new ATOM 0 HG3 ARG A 20 -7.150 30.005 4.805 1.00 40.53 H new ATOM 0 HD2 ARG A 20 -9.219 30.764 6.727 1.00 74.24 H new ATOM 0 HD3 ARG A 20 -7.641 30.730 7.488 1.00 74.24 H new ATOM 0 HE ARG A 20 -7.399 32.099 4.988 1.00 61.53 H new ATOM 0 HH11 ARG A 20 -8.853 32.451 8.186 1.00 42.24 H new ATOM 0 HH12 ARG A 20 -8.782 34.216 8.150 1.00 42.24 H new ATOM 0 HH21 ARG A 20 -7.309 34.365 4.951 1.00 24.21 H new ATOM 0 HH22 ARG A 20 -7.912 35.294 6.327 1.00 24.21 H new ATOM 295 N LEU A 21 -10.807 26.155 4.943 1.00 71.23 N ATOM 296 CA LEU A 21 -11.988 25.519 4.369 1.00 14.33 C ATOM 297 C LEU A 21 -12.846 26.537 3.624 1.00 10.12 C ATOM 298 O LEU A 21 -13.461 26.219 2.606 1.00 25.11 O ATOM 299 CB LEU A 21 -12.814 24.846 5.466 1.00 51.04 C ATOM 300 CG LEU A 21 -12.238 23.550 6.039 1.00 60.32 C ATOM 301 CD1 LEU A 21 -12.953 23.172 7.327 1.00 0.12 C ATOM 302 CD2 LEU A 21 -12.341 22.424 5.020 1.00 55.14 C ATOM 0 H LEU A 21 -10.735 26.073 5.957 1.00 71.23 H new ATOM 0 HA LEU A 21 -11.654 24.763 3.659 1.00 14.33 H new ATOM 0 HB2 LEU A 21 -12.943 25.556 6.283 1.00 51.04 H new ATOM 0 HB3 LEU A 21 -13.806 24.635 5.068 1.00 51.04 H new ATOM 0 HG LEU A 21 -11.184 23.713 6.266 1.00 60.32 H new ATOM 0 HD11 LEU A 21 -12.530 22.248 7.720 1.00 0.12 H new ATOM 0 HD12 LEU A 21 -12.828 23.969 8.060 1.00 0.12 H new ATOM 0 HD13 LEU A 21 -14.014 23.028 7.125 1.00 0.12 H new ATOM 0 HD21 LEU A 21 -11.926 21.510 5.445 1.00 55.14 H new ATOM 0 HD22 LEU A 21 -13.387 22.262 4.761 1.00 55.14 H new ATOM 0 HD23 LEU A 21 -11.783 22.693 4.123 1.00 55.14 H new ATOM 314 N ARG A 22 -12.880 27.763 4.136 1.00 32.35 N ATOM 315 CA ARG A 22 -13.661 28.828 3.519 1.00 34.33 C ATOM 316 C ARG A 22 -12.790 30.050 3.242 1.00 1.22 C ATOM 317 O ARG A 22 -11.691 30.195 3.779 1.00 5.21 O ATOM 318 CB ARG A 22 -14.834 29.218 4.420 1.00 35.04 C ATOM 319 CG ARG A 22 -16.171 28.670 3.950 1.00 34.21 C ATOM 320 CD ARG A 22 -17.309 29.626 4.275 1.00 34.43 C ATOM 321 NE ARG A 22 -17.691 29.562 5.683 1.00 21.04 N ATOM 322 CZ ARG A 22 -18.348 30.531 6.310 1.00 43.03 C ATOM 323 NH1 ARG A 22 -18.695 31.632 5.657 1.00 54.24 N ATOM 324 NH2 ARG A 22 -18.661 30.400 7.593 1.00 10.52 N ATOM 0 H ARG A 22 -12.375 28.043 4.977 1.00 32.35 H new ATOM 0 HA ARG A 22 -14.049 28.457 2.570 1.00 34.33 H new ATOM 0 HB2 ARG A 22 -14.639 28.860 5.431 1.00 35.04 H new ATOM 0 HB3 ARG A 22 -14.895 30.305 4.473 1.00 35.04 H new ATOM 0 HG2 ARG A 22 -16.136 28.496 2.875 1.00 34.21 H new ATOM 0 HG3 ARG A 22 -16.357 27.706 4.423 1.00 34.21 H new ATOM 0 HD2 ARG A 22 -17.010 30.644 4.026 1.00 34.43 H new ATOM 0 HD3 ARG A 22 -18.172 29.387 3.654 1.00 34.43 H new ATOM 0 HE ARG A 22 -17.440 28.728 6.214 1.00 21.04 H new ATOM 0 HH11 ARG A 22 -18.457 31.736 4.671 1.00 54.24 H new ATOM 0 HH12 ARG A 22 -19.200 32.375 6.141 1.00 54.24 H new ATOM 0 HH21 ARG A 22 -18.397 29.554 8.099 1.00 10.52 H new ATOM 0 HH22 ARG A 22 -19.166 31.145 8.073 1.00 10.52 H new ATOM 338 N PRO A 23 -13.290 30.951 2.383 1.00 21.52 N ATOM 339 CA PRO A 23 -12.574 32.176 2.015 1.00 11.02 C ATOM 340 C PRO A 23 -12.500 33.171 3.167 1.00 12.40 C ATOM 341 O PRO A 23 -11.527 33.915 3.296 1.00 65.34 O ATOM 342 CB PRO A 23 -13.413 32.747 0.869 1.00 62.00 C ATOM 343 CG PRO A 23 -14.783 32.204 1.095 1.00 13.31 C ATOM 344 CD PRO A 23 -14.592 30.842 1.704 1.00 41.12 C ATOM 0 HA PRO A 23 -11.537 31.976 1.744 1.00 11.02 H new ATOM 0 HB2 PRO A 23 -13.412 33.837 0.883 1.00 62.00 H new ATOM 0 HB3 PRO A 23 -13.020 32.440 -0.100 1.00 62.00 H new ATOM 0 HG2 PRO A 23 -15.355 32.852 1.759 1.00 13.31 H new ATOM 0 HG3 PRO A 23 -15.337 32.139 0.158 1.00 13.31 H new ATOM 0 HD2 PRO A 23 -15.391 30.599 2.404 1.00 41.12 H new ATOM 0 HD3 PRO A 23 -14.585 30.060 0.945 1.00 41.12 H new ATOM 352 N GLY A 24 -13.533 33.181 4.003 1.00 44.21 N ATOM 353 CA GLY A 24 -13.564 34.090 5.135 1.00 61.42 C ATOM 354 C GLY A 24 -13.695 33.363 6.459 1.00 33.44 C ATOM 355 O GLY A 24 -14.229 33.908 7.423 1.00 61.33 O ATOM 0 H GLY A 24 -14.350 32.576 3.917 1.00 44.21 H new ATOM 0 HA2 GLY A 24 -12.653 34.689 5.141 1.00 61.42 H new ATOM 0 HA3 GLY A 24 -14.399 34.781 5.019 1.00 61.42 H new ATOM 359 N GLY A 25 -13.206 32.127 6.504 1.00 52.03 N ATOM 360 CA GLY A 25 -13.282 31.344 7.724 1.00 22.45 C ATOM 361 C GLY A 25 -11.942 31.223 8.420 1.00 51.11 C ATOM 362 O GLY A 25 -10.947 31.798 7.975 1.00 22.34 O ATOM 0 H GLY A 25 -12.759 31.654 5.718 1.00 52.03 H new ATOM 0 HA2 GLY A 25 -14.000 31.804 8.403 1.00 22.45 H new ATOM 0 HA3 GLY A 25 -13.657 30.348 7.490 1.00 22.45 H new ATOM 366 N LYS A 26 -11.912 30.476 9.518 1.00 62.13 N ATOM 367 CA LYS A 26 -10.683 30.281 10.279 1.00 65.13 C ATOM 368 C LYS A 26 -10.376 28.796 10.446 1.00 11.22 C ATOM 369 O LYS A 26 -9.330 28.424 10.977 1.00 72.45 O ATOM 370 CB LYS A 26 -10.799 30.946 11.653 1.00 65.11 C ATOM 371 CG LYS A 26 -9.461 31.167 12.335 1.00 41.33 C ATOM 372 CD LYS A 26 -8.875 32.526 11.988 1.00 32.12 C ATOM 373 CE LYS A 26 -8.801 33.430 13.208 1.00 52.10 C ATOM 374 NZ LYS A 26 -7.763 32.974 14.174 1.00 0.50 N ATOM 0 H LYS A 26 -12.726 29.995 9.902 1.00 62.13 H new ATOM 0 HA LYS A 26 -9.865 30.743 9.726 1.00 65.13 H new ATOM 0 HB2 LYS A 26 -11.304 31.906 11.542 1.00 65.11 H new ATOM 0 HB3 LYS A 26 -11.427 30.328 12.295 1.00 65.11 H new ATOM 0 HG2 LYS A 26 -9.585 31.088 13.415 1.00 41.33 H new ATOM 0 HG3 LYS A 26 -8.765 30.383 12.036 1.00 41.33 H new ATOM 0 HD2 LYS A 26 -7.877 32.397 11.569 1.00 32.12 H new ATOM 0 HD3 LYS A 26 -9.485 33.000 11.219 1.00 32.12 H new ATOM 0 HE2 LYS A 26 -8.580 34.449 12.892 1.00 52.10 H new ATOM 0 HE3 LYS A 26 -9.772 33.453 13.702 1.00 52.10 H new ATOM 0 HZ1 LYS A 26 -7.661 33.679 14.932 1.00 0.50 H new ATOM 0 HZ2 LYS A 26 -8.048 32.062 14.585 1.00 0.50 H new ATOM 0 HZ3 LYS A 26 -6.854 32.862 13.680 1.00 0.50 H new ATOM 388 N LYS A 27 -11.293 27.952 9.987 1.00 5.31 N ATOM 389 CA LYS A 27 -11.121 26.507 10.083 1.00 15.20 C ATOM 390 C LYS A 27 -10.189 25.997 8.987 1.00 41.32 C ATOM 391 O LYS A 27 -10.602 25.823 7.842 1.00 2.45 O ATOM 392 CB LYS A 27 -12.475 25.803 9.984 1.00 11.10 C ATOM 393 CG LYS A 27 -12.454 24.369 10.486 1.00 10.43 C ATOM 394 CD LYS A 27 -13.858 23.839 10.719 1.00 1.11 C ATOM 395 CE LYS A 27 -13.894 22.319 10.679 1.00 33.34 C ATOM 396 NZ LYS A 27 -14.977 21.766 11.538 1.00 71.24 N ATOM 0 H LYS A 27 -12.164 28.244 9.544 1.00 5.31 H new ATOM 0 HA LYS A 27 -10.673 26.283 11.051 1.00 15.20 H new ATOM 0 HB2 LYS A 27 -13.211 26.368 10.555 1.00 11.10 H new ATOM 0 HB3 LYS A 27 -12.804 25.810 8.945 1.00 11.10 H new ATOM 0 HG2 LYS A 27 -11.941 23.737 9.761 1.00 10.43 H new ATOM 0 HG3 LYS A 27 -11.885 24.316 11.414 1.00 10.43 H new ATOM 0 HD2 LYS A 27 -14.224 24.187 11.685 1.00 1.11 H new ATOM 0 HD3 LYS A 27 -14.530 24.240 9.960 1.00 1.11 H new ATOM 0 HE2 LYS A 27 -14.040 21.986 9.651 1.00 33.34 H new ATOM 0 HE3 LYS A 27 -12.933 21.924 11.008 1.00 33.34 H new ATOM 0 HZ1 LYS A 27 -15.207 20.800 11.228 1.00 71.24 H new ATOM 0 HZ2 LYS A 27 -14.659 21.745 12.528 1.00 71.24 H new ATOM 0 HZ3 LYS A 27 -15.823 22.366 11.459 1.00 71.24 H new ATOM 410 N GLN A 28 -8.933 25.760 9.349 1.00 20.50 N ATOM 411 CA GLN A 28 -7.945 25.269 8.396 1.00 35.43 C ATOM 412 C GLN A 28 -8.226 23.819 8.017 1.00 24.24 C ATOM 413 O GLN A 28 -9.132 23.189 8.564 1.00 30.41 O ATOM 414 CB GLN A 28 -6.536 25.390 8.981 1.00 62.20 C ATOM 415 CG GLN A 28 -5.937 26.780 8.839 1.00 54.33 C ATOM 416 CD GLN A 28 -6.538 27.776 9.810 1.00 4.40 C ATOM 417 OE1 GLN A 28 -6.840 27.441 10.956 1.00 22.32 O ATOM 418 NE2 GLN A 28 -6.716 29.012 9.357 1.00 43.03 N ATOM 0 H GLN A 28 -8.575 25.900 10.294 1.00 20.50 H new ATOM 0 HA GLN A 28 -8.012 25.880 7.496 1.00 35.43 H new ATOM 0 HB2 GLN A 28 -6.566 25.122 10.037 1.00 62.20 H new ATOM 0 HB3 GLN A 28 -5.883 24.670 8.488 1.00 62.20 H new ATOM 0 HG2 GLN A 28 -4.860 26.726 9.000 1.00 54.33 H new ATOM 0 HG3 GLN A 28 -6.089 27.135 7.820 1.00 54.33 H new ATOM 0 HE21 GLN A 28 -6.452 29.248 8.400 1.00 43.03 H new ATOM 0 HE22 GLN A 28 -7.117 29.726 9.966 1.00 43.03 H new ATOM 427 N TYR A 29 -7.447 23.296 7.077 1.00 33.44 N ATOM 428 CA TYR A 29 -7.615 21.920 6.622 1.00 70.24 C ATOM 429 C TYR A 29 -6.812 20.957 7.493 1.00 2.41 C ATOM 430 O TYR A 29 -5.705 21.271 7.929 1.00 13.30 O ATOM 431 CB TYR A 29 -7.182 21.787 5.161 1.00 71.13 C ATOM 432 CG TYR A 29 -8.332 21.844 4.182 1.00 50.10 C ATOM 433 CD1 TYR A 29 -9.210 20.775 4.047 1.00 35.21 C ATOM 434 CD2 TYR A 29 -8.540 22.966 3.389 1.00 41.21 C ATOM 435 CE1 TYR A 29 -10.261 20.822 3.153 1.00 10.12 C ATOM 436 CE2 TYR A 29 -9.590 23.023 2.493 1.00 64.34 C ATOM 437 CZ TYR A 29 -10.447 21.949 2.378 1.00 65.44 C ATOM 438 OH TYR A 29 -11.493 22.000 1.485 1.00 43.45 O ATOM 0 H TYR A 29 -6.693 23.804 6.615 1.00 33.44 H new ATOM 0 HA TYR A 29 -8.671 21.662 6.705 1.00 70.24 H new ATOM 0 HB2 TYR A 29 -6.476 22.583 4.926 1.00 71.13 H new ATOM 0 HB3 TYR A 29 -6.652 20.843 5.032 1.00 71.13 H new ATOM 0 HD1 TYR A 29 -9.068 19.892 4.652 1.00 35.21 H new ATOM 0 HD2 TYR A 29 -7.869 23.808 3.475 1.00 41.21 H new ATOM 0 HE1 TYR A 29 -10.934 19.982 3.061 1.00 10.12 H new ATOM 0 HE2 TYR A 29 -9.739 23.904 1.886 1.00 64.34 H new ATOM 0 HH TYR A 29 -12.236 21.456 1.820 1.00 43.45 H new ATOM 448 N LYS A 30 -7.380 19.781 7.741 1.00 14.35 N ATOM 449 CA LYS A 30 -6.720 18.770 8.557 1.00 34.44 C ATOM 450 C LYS A 30 -6.855 17.388 7.924 1.00 4.11 C ATOM 451 O LYS A 30 -7.674 17.182 7.027 1.00 74.10 O ATOM 452 CB LYS A 30 -7.310 18.756 9.968 1.00 10.52 C ATOM 453 CG LYS A 30 -6.450 19.475 10.994 1.00 24.12 C ATOM 454 CD LYS A 30 -6.794 19.043 12.409 1.00 23.52 C ATOM 455 CE LYS A 30 -7.760 20.015 13.069 1.00 73.35 C ATOM 456 NZ LYS A 30 -7.793 19.845 14.549 1.00 75.10 N ATOM 0 H LYS A 30 -8.296 19.505 7.388 1.00 14.35 H new ATOM 0 HA LYS A 30 -5.661 19.022 8.617 1.00 34.44 H new ATOM 0 HB2 LYS A 30 -8.297 19.219 9.945 1.00 10.52 H new ATOM 0 HB3 LYS A 30 -7.450 17.722 10.284 1.00 10.52 H new ATOM 0 HG2 LYS A 30 -5.398 19.271 10.796 1.00 24.12 H new ATOM 0 HG3 LYS A 30 -6.590 20.552 10.897 1.00 24.12 H new ATOM 0 HD2 LYS A 30 -7.236 18.047 12.389 1.00 23.52 H new ATOM 0 HD3 LYS A 30 -5.882 18.976 13.002 1.00 23.52 H new ATOM 0 HE2 LYS A 30 -7.469 21.037 12.827 1.00 73.35 H new ATOM 0 HE3 LYS A 30 -8.761 19.864 12.664 1.00 73.35 H new ATOM 0 HZ1 LYS A 30 -8.463 20.525 14.962 1.00 75.10 H new ATOM 0 HZ2 LYS A 30 -8.095 18.877 14.781 1.00 75.10 H new ATOM 0 HZ3 LYS A 30 -6.844 20.014 14.939 1.00 75.10 H new ATOM 470 N LEU A 31 -6.050 16.443 8.399 1.00 41.24 N ATOM 471 CA LEU A 31 -6.082 15.080 7.881 1.00 61.15 C ATOM 472 C LEU A 31 -7.511 14.550 7.830 1.00 44.33 C ATOM 473 O LEU A 31 -7.883 13.820 6.911 1.00 14.11 O ATOM 474 CB LEU A 31 -5.217 14.164 8.749 1.00 1.31 C ATOM 475 CG LEU A 31 -4.321 13.178 7.998 1.00 53.23 C ATOM 476 CD1 LEU A 31 -3.123 13.897 7.397 1.00 24.55 C ATOM 477 CD2 LEU A 31 -3.865 12.060 8.925 1.00 0.12 C ATOM 0 H LEU A 31 -5.368 16.596 9.142 1.00 41.24 H new ATOM 0 HA LEU A 31 -5.683 15.093 6.867 1.00 61.15 H new ATOM 0 HB2 LEU A 31 -4.586 14.787 9.383 1.00 1.31 H new ATOM 0 HB3 LEU A 31 -5.873 13.597 9.410 1.00 1.31 H new ATOM 0 HG LEU A 31 -4.899 12.737 7.186 1.00 53.23 H new ATOM 0 HD11 LEU A 31 -2.497 13.180 6.867 1.00 24.55 H new ATOM 0 HD12 LEU A 31 -3.469 14.661 6.701 1.00 24.55 H new ATOM 0 HD13 LEU A 31 -2.544 14.366 8.192 1.00 24.55 H new ATOM 0 HD21 LEU A 31 -3.228 11.368 8.374 1.00 0.12 H new ATOM 0 HD22 LEU A 31 -3.304 12.484 9.758 1.00 0.12 H new ATOM 0 HD23 LEU A 31 -4.735 11.527 9.307 1.00 0.12 H new ATOM 489 N LYS A 32 -8.311 14.924 8.824 1.00 25.12 N ATOM 490 CA LYS A 32 -9.702 14.490 8.891 1.00 73.44 C ATOM 491 C LYS A 32 -10.403 14.701 7.554 1.00 4.13 C ATOM 492 O LYS A 32 -11.036 13.787 7.022 1.00 43.33 O ATOM 493 CB LYS A 32 -10.442 15.251 9.993 1.00 24.03 C ATOM 494 CG LYS A 32 -10.293 14.626 11.370 1.00 5.01 C ATOM 495 CD LYS A 32 -10.880 15.517 12.453 1.00 10.11 C ATOM 496 CE LYS A 32 -9.821 15.939 13.460 1.00 24.42 C ATOM 497 NZ LYS A 32 -10.428 16.433 14.727 1.00 74.00 N ATOM 0 H LYS A 32 -8.020 15.526 9.594 1.00 25.12 H new ATOM 0 HA LYS A 32 -9.714 13.425 9.122 1.00 73.44 H new ATOM 0 HB2 LYS A 32 -10.072 16.276 10.026 1.00 24.03 H new ATOM 0 HB3 LYS A 32 -11.501 15.302 9.739 1.00 24.03 H new ATOM 0 HG2 LYS A 32 -10.790 13.656 11.386 1.00 5.01 H new ATOM 0 HG3 LYS A 32 -9.238 14.447 11.577 1.00 5.01 H new ATOM 0 HD2 LYS A 32 -11.324 16.402 11.997 1.00 10.11 H new ATOM 0 HD3 LYS A 32 -11.682 14.987 12.967 1.00 10.11 H new ATOM 0 HE2 LYS A 32 -9.167 15.094 13.676 1.00 24.42 H new ATOM 0 HE3 LYS A 32 -9.198 16.721 13.026 1.00 24.42 H new ATOM 0 HZ1 LYS A 32 -9.674 16.711 15.388 1.00 74.00 H new ATOM 0 HZ2 LYS A 32 -11.032 17.255 14.525 1.00 74.00 H new ATOM 0 HZ3 LYS A 32 -11.002 15.678 15.154 1.00 74.00 H new ATOM 511 N HIS A 33 -10.286 15.910 7.013 1.00 63.53 N ATOM 512 CA HIS A 33 -10.909 16.240 5.735 1.00 73.22 C ATOM 513 C HIS A 33 -10.386 15.330 4.627 1.00 60.23 C ATOM 514 O HIS A 33 -11.177 15.009 3.740 1.00 5.03 O ATOM 515 CB HIS A 33 -10.642 17.702 5.377 1.00 13.02 C ATOM 516 CG HIS A 33 -10.974 18.659 6.481 1.00 12.11 C ATOM 517 ND1 HIS A 33 -10.143 19.694 6.855 1.00 34.01 N ATOM 518 CD2 HIS A 33 -12.054 18.734 7.293 1.00 22.35 C ATOM 519 CE1 HIS A 33 -10.698 20.364 7.849 1.00 63.33 C ATOM 520 NE2 HIS A 33 -11.859 19.801 8.134 1.00 4.43 N ATOM 0 H HIS A 33 -9.766 16.677 7.439 1.00 63.53 H new ATOM 0 HA HIS A 33 -11.984 16.087 5.831 1.00 73.22 H new ATOM 0 HB2 HIS A 33 -9.591 17.817 5.112 1.00 13.02 H new ATOM 0 HB3 HIS A 33 -11.224 17.963 4.493 1.00 13.02 H new ATOM 0 HD2 HIS A 33 -12.911 18.076 7.281 1.00 22.35 H new ATOM 0 HE1 HIS A 33 -10.275 21.225 8.344 1.00 63.33 H new ATOM 0 HE2 HIS A 33 -12.505 20.109 8.861 1.00 4.43 H new ATOM 528 N ILE A 34 -9.123 14.921 4.653 1.00 74.42 N ATOM 529 CA ILE A 34 -8.581 14.050 3.617 1.00 35.34 C ATOM 530 C ILE A 34 -9.116 12.629 3.758 1.00 33.23 C ATOM 531 O ILE A 34 -9.908 12.168 2.936 1.00 21.24 O ATOM 532 CB ILE A 34 -7.042 14.014 3.660 1.00 22.41 C ATOM 533 CG1 ILE A 34 -6.476 15.435 3.655 1.00 72.21 C ATOM 534 CG2 ILE A 34 -6.497 13.216 2.484 1.00 44.54 C ATOM 535 CD1 ILE A 34 -4.980 15.491 3.870 1.00 52.24 C ATOM 0 H ILE A 34 -8.455 15.178 5.380 1.00 74.42 H new ATOM 0 HA ILE A 34 -8.900 14.462 2.660 1.00 35.34 H new ATOM 0 HB ILE A 34 -6.731 13.523 4.582 1.00 22.41 H new ATOM 0 HG12 ILE A 34 -6.716 15.909 2.703 1.00 72.21 H new ATOM 0 HG13 ILE A 34 -6.969 16.016 4.434 1.00 72.21 H new ATOM 0 HG21 ILE A 34 -5.408 13.200 2.529 1.00 44.54 H new ATOM 0 HG22 ILE A 34 -6.877 12.195 2.529 1.00 44.54 H new ATOM 0 HG23 ILE A 34 -6.815 13.680 1.551 1.00 44.54 H new ATOM 0 HD11 ILE A 34 -4.649 16.529 3.854 1.00 52.24 H new ATOM 0 HD12 ILE A 34 -4.734 15.046 4.834 1.00 52.24 H new ATOM 0 HD13 ILE A 34 -4.477 14.938 3.077 1.00 52.24 H new ATOM 547 N VAL A 35 -8.678 11.938 4.806 1.00 2.23 N ATOM 548 CA VAL A 35 -9.116 10.570 5.057 1.00 55.30 C ATOM 549 C VAL A 35 -10.625 10.437 4.893 1.00 10.01 C ATOM 550 O VAL A 35 -11.121 9.405 4.442 1.00 61.22 O ATOM 551 CB VAL A 35 -8.720 10.106 6.471 1.00 0.00 C ATOM 552 CG1 VAL A 35 -9.218 8.691 6.727 1.00 43.34 C ATOM 553 CG2 VAL A 35 -7.213 10.191 6.659 1.00 3.25 C ATOM 0 H VAL A 35 -8.020 12.303 5.495 1.00 2.23 H new ATOM 0 HA VAL A 35 -8.618 9.937 4.322 1.00 55.30 H new ATOM 0 HB VAL A 35 -9.191 10.769 7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.929 8.380 7.731 1.00 43.34 H new ATOM 0 HG12 VAL A 35 -10.304 8.666 6.638 1.00 43.34 H new ATOM 0 HG13 VAL A 35 -8.778 8.013 5.996 1.00 43.34 H new ATOM 0 HG21 VAL A 35 -6.952 9.859 7.664 1.00 3.25 H new ATOM 0 HG22 VAL A 35 -6.718 9.553 5.927 1.00 3.25 H new ATOM 0 HG23 VAL A 35 -6.887 11.222 6.521 1.00 3.25 H new ATOM 563 N TRP A 36 -11.349 11.487 5.261 1.00 11.11 N ATOM 564 CA TRP A 36 -12.804 11.488 5.154 1.00 24.42 C ATOM 565 C TRP A 36 -13.246 11.157 3.733 1.00 35.41 C ATOM 566 O TRP A 36 -13.981 10.196 3.509 1.00 64.41 O ATOM 567 CB TRP A 36 -13.367 12.847 5.573 1.00 74.21 C ATOM 568 CG TRP A 36 -14.847 12.965 5.370 1.00 62.22 C ATOM 569 CD1 TRP A 36 -15.826 12.629 6.262 1.00 32.21 C ATOM 570 CD2 TRP A 36 -15.515 13.451 4.201 1.00 63.40 C ATOM 571 NE1 TRP A 36 -17.062 12.877 5.717 1.00 40.34 N ATOM 572 CE2 TRP A 36 -16.899 13.383 4.455 1.00 21.24 C ATOM 573 CE3 TRP A 36 -15.080 13.940 2.967 1.00 24.53 C ATOM 574 CZ2 TRP A 36 -17.848 13.783 3.517 1.00 54.14 C ATOM 575 CZ3 TRP A 36 -16.022 14.336 2.037 1.00 4.03 C ATOM 576 CH2 TRP A 36 -17.394 14.256 2.317 1.00 0.41 C ATOM 0 H TRP A 36 -10.953 12.349 5.636 1.00 11.11 H new ATOM 0 HA TRP A 36 -13.192 10.720 5.823 1.00 24.42 H new ATOM 0 HB2 TRP A 36 -13.137 13.019 6.624 1.00 74.21 H new ATOM 0 HB3 TRP A 36 -12.866 13.631 5.005 1.00 74.21 H new ATOM 0 HD1 TRP A 36 -15.653 12.228 7.250 1.00 32.21 H new ATOM 0 HE1 TRP A 36 -17.957 12.711 6.178 1.00 40.34 H new ATOM 0 HE3 TRP A 36 -14.025 14.007 2.744 1.00 24.53 H new ATOM 0 HZ2 TRP A 36 -18.905 13.722 3.730 1.00 54.14 H new ATOM 0 HZ3 TRP A 36 -15.697 14.713 1.079 1.00 4.03 H new ATOM 0 HH2 TRP A 36 -18.106 14.574 1.570 1.00 0.41 H new ATOM 587 N ALA A 37 -12.791 11.959 2.774 1.00 71.15 N ATOM 588 CA ALA A 37 -13.138 11.749 1.375 1.00 61.21 C ATOM 589 C ALA A 37 -12.765 10.341 0.922 1.00 4.20 C ATOM 590 O ALA A 37 -13.474 9.729 0.122 1.00 74.43 O ATOM 591 CB ALA A 37 -12.451 12.786 0.500 1.00 14.14 C ATOM 0 H ALA A 37 -12.182 12.759 2.942 1.00 71.15 H new ATOM 0 HA ALA A 37 -14.217 11.861 1.273 1.00 61.21 H new ATOM 0 HB1 ALA A 37 -12.719 12.617 -0.543 1.00 14.14 H new ATOM 0 HB2 ALA A 37 -12.770 13.784 0.800 1.00 14.14 H new ATOM 0 HB3 ALA A 37 -11.370 12.701 0.615 1.00 14.14 H new ATOM 597 N SER A 38 -11.650 9.835 1.437 1.00 21.11 N ATOM 598 CA SER A 38 -11.180 8.501 1.081 1.00 62.31 C ATOM 599 C SER A 38 -12.179 7.437 1.529 1.00 34.04 C ATOM 600 O SER A 38 -12.410 6.453 0.826 1.00 22.20 O ATOM 601 CB SER A 38 -9.815 8.231 1.715 1.00 14.41 C ATOM 602 OG SER A 38 -8.767 8.496 0.797 1.00 52.55 O ATOM 0 H SER A 38 -11.055 10.328 2.102 1.00 21.11 H new ATOM 0 HA SER A 38 -11.084 8.454 -0.004 1.00 62.31 H new ATOM 0 HB2 SER A 38 -9.692 8.853 2.602 1.00 14.41 H new ATOM 0 HB3 SER A 38 -9.762 7.193 2.044 1.00 14.41 H new ATOM 0 HG SER A 38 -7.904 8.318 1.226 1.00 52.55 H new ATOM 608 N ARG A 39 -12.768 7.643 2.701 1.00 42.13 N ATOM 609 CA ARG A 39 -13.740 6.703 3.244 1.00 64.54 C ATOM 610 C ARG A 39 -15.055 6.773 2.473 1.00 32.13 C ATOM 611 O ARG A 39 -15.799 5.795 2.404 1.00 53.44 O ATOM 612 CB ARG A 39 -13.990 6.991 4.725 1.00 13.50 C ATOM 613 CG ARG A 39 -13.055 6.239 5.659 1.00 3.30 C ATOM 614 CD ARG A 39 -13.776 5.776 6.915 1.00 3.03 C ATOM 615 NE ARG A 39 -12.889 5.743 8.074 1.00 51.32 N ATOM 616 CZ ARG A 39 -12.513 6.828 8.743 1.00 71.53 C ATOM 617 NH1 ARG A 39 -12.945 8.024 8.368 1.00 51.52 N ATOM 618 NH2 ARG A 39 -11.703 6.718 9.788 1.00 65.34 N ATOM 0 H ARG A 39 -12.589 8.454 3.294 1.00 42.13 H new ATOM 0 HA ARG A 39 -13.331 5.698 3.141 1.00 64.54 H new ATOM 0 HB2 ARG A 39 -13.882 8.061 4.901 1.00 13.50 H new ATOM 0 HB3 ARG A 39 -15.020 6.730 4.968 1.00 13.50 H new ATOM 0 HG2 ARG A 39 -12.636 5.377 5.140 1.00 3.30 H new ATOM 0 HG3 ARG A 39 -12.219 6.882 5.934 1.00 3.30 H new ATOM 0 HD2 ARG A 39 -14.614 6.443 7.119 1.00 3.03 H new ATOM 0 HD3 ARG A 39 -14.192 4.782 6.749 1.00 3.03 H new ATOM 0 HE ARG A 39 -12.539 4.838 8.387 1.00 51.32 H new ATOM 0 HH11 ARG A 39 -13.567 8.113 7.565 1.00 51.52 H new ATOM 0 HH12 ARG A 39 -12.655 8.855 8.883 1.00 51.52 H new ATOM 0 HH21 ARG A 39 -11.368 5.800 10.079 1.00 65.34 H new ATOM 0 HH22 ARG A 39 -11.415 7.552 10.300 1.00 65.34 H new ATOM 632 N GLU A 40 -15.333 7.937 1.894 1.00 32.13 N ATOM 633 CA GLU A 40 -16.558 8.135 1.128 1.00 41.33 C ATOM 634 C GLU A 40 -16.417 7.566 -0.280 1.00 22.34 C ATOM 635 O GLU A 40 -17.405 7.188 -0.912 1.00 44.51 O ATOM 636 CB GLU A 40 -16.905 9.624 1.056 1.00 42.24 C ATOM 637 CG GLU A 40 -18.376 9.918 1.301 1.00 41.50 C ATOM 638 CD GLU A 40 -18.877 9.339 2.610 1.00 1.10 C ATOM 639 OE1 GLU A 40 -18.041 9.067 3.497 1.00 72.23 O ATOM 640 OE2 GLU A 40 -20.105 9.159 2.747 1.00 51.11 O ATOM 0 H GLU A 40 -14.727 8.756 1.941 1.00 32.13 H new ATOM 0 HA GLU A 40 -17.364 7.605 1.636 1.00 41.33 H new ATOM 0 HB2 GLU A 40 -16.308 10.164 1.791 1.00 42.24 H new ATOM 0 HB3 GLU A 40 -16.625 10.007 0.075 1.00 42.24 H new ATOM 0 HG2 GLU A 40 -18.532 10.997 1.302 1.00 41.50 H new ATOM 0 HG3 GLU A 40 -18.966 9.512 0.479 1.00 41.50 H new ATOM 647 N LEU A 41 -15.183 7.508 -0.769 1.00 0.20 N ATOM 648 CA LEU A 41 -14.912 6.986 -2.104 1.00 73.04 C ATOM 649 C LEU A 41 -14.820 5.463 -2.084 1.00 64.34 C ATOM 650 O LEU A 41 -15.228 4.796 -3.034 1.00 31.14 O ATOM 651 CB LEU A 41 -13.612 7.579 -2.650 1.00 1.32 C ATOM 652 CG LEU A 41 -13.587 9.098 -2.819 1.00 73.05 C ATOM 653 CD1 LEU A 41 -12.170 9.629 -2.660 1.00 21.13 C ATOM 654 CD2 LEU A 41 -14.159 9.495 -4.171 1.00 40.01 C ATOM 0 H LEU A 41 -14.354 7.816 -0.261 1.00 0.20 H new ATOM 0 HA LEU A 41 -15.737 7.274 -2.755 1.00 73.04 H new ATOM 0 HB2 LEU A 41 -12.798 7.294 -1.983 1.00 1.32 H new ATOM 0 HB3 LEU A 41 -13.406 7.122 -3.618 1.00 1.32 H new ATOM 0 HG LEU A 41 -14.209 9.541 -2.041 1.00 73.05 H new ATOM 0 HD11 LEU A 41 -12.171 10.712 -2.783 1.00 21.13 H new ATOM 0 HD12 LEU A 41 -11.796 9.377 -1.667 1.00 21.13 H new ATOM 0 HD13 LEU A 41 -11.526 9.179 -3.415 1.00 21.13 H new ATOM 0 HD21 LEU A 41 -14.133 10.580 -4.273 1.00 40.01 H new ATOM 0 HD22 LEU A 41 -13.565 9.042 -4.965 1.00 40.01 H new ATOM 0 HD23 LEU A 41 -15.190 9.148 -4.246 1.00 40.01 H new ATOM 666 N GLU A 42 -14.286 4.922 -0.994 1.00 32.44 N ATOM 667 CA GLU A 42 -14.143 3.478 -0.852 1.00 73.54 C ATOM 668 C GLU A 42 -15.507 2.807 -0.710 1.00 1.23 C ATOM 669 O GLU A 42 -15.651 1.611 -0.960 1.00 71.44 O ATOM 670 CB GLU A 42 -13.271 3.146 0.363 1.00 24.42 C ATOM 671 CG GLU A 42 -14.021 3.203 1.683 1.00 52.42 C ATOM 672 CD GLU A 42 -14.469 1.835 2.160 1.00 14.04 C ATOM 673 OE1 GLU A 42 -13.621 0.922 2.225 1.00 53.10 O ATOM 674 OE2 GLU A 42 -15.669 1.679 2.467 1.00 63.13 O ATOM 0 H GLU A 42 -13.946 5.461 -0.198 1.00 32.44 H new ATOM 0 HA GLU A 42 -13.661 3.097 -1.752 1.00 73.54 H new ATOM 0 HB2 GLU A 42 -12.850 2.148 0.236 1.00 24.42 H new ATOM 0 HB3 GLU A 42 -12.433 3.843 0.400 1.00 24.42 H new ATOM 0 HG2 GLU A 42 -13.381 3.656 2.440 1.00 52.42 H new ATOM 0 HG3 GLU A 42 -14.892 3.849 1.574 1.00 52.42 H new ATOM 681 N ARG A 43 -16.505 3.587 -0.307 1.00 55.10 N ATOM 682 CA ARG A 43 -17.856 3.071 -0.131 1.00 73.51 C ATOM 683 C ARG A 43 -18.675 3.244 -1.407 1.00 50.33 C ATOM 684 O ARG A 43 -19.602 2.478 -1.671 1.00 41.41 O ATOM 685 CB ARG A 43 -18.548 3.780 1.034 1.00 10.14 C ATOM 686 CG ARG A 43 -19.748 3.024 1.581 1.00 23.02 C ATOM 687 CD ARG A 43 -21.029 3.415 0.860 1.00 73.14 C ATOM 688 NE ARG A 43 -22.105 3.736 1.793 1.00 45.51 N ATOM 689 CZ ARG A 43 -23.271 4.254 1.420 1.00 14.20 C ATOM 690 NH1 ARG A 43 -23.508 4.507 0.141 1.00 0.35 N ATOM 691 NH2 ARG A 43 -24.201 4.521 2.329 1.00 24.55 N ATOM 0 H ARG A 43 -16.402 4.580 -0.096 1.00 55.10 H new ATOM 0 HA ARG A 43 -17.785 2.006 0.092 1.00 73.51 H new ATOM 0 HB2 ARG A 43 -17.827 3.930 1.837 1.00 10.14 H new ATOM 0 HB3 ARG A 43 -18.870 4.769 0.707 1.00 10.14 H new ATOM 0 HG2 ARG A 43 -19.583 1.952 1.476 1.00 23.02 H new ATOM 0 HG3 ARG A 43 -19.853 3.227 2.647 1.00 23.02 H new ATOM 0 HD2 ARG A 43 -20.836 4.275 0.219 1.00 73.14 H new ATOM 0 HD3 ARG A 43 -21.344 2.598 0.211 1.00 73.14 H new ATOM 0 HE ARG A 43 -21.954 3.553 2.785 1.00 45.51 H new ATOM 0 HH11 ARG A 43 -22.795 4.304 -0.560 1.00 0.35 H new ATOM 0 HH12 ARG A 43 -24.403 4.904 -0.143 1.00 0.35 H new ATOM 0 HH21 ARG A 43 -24.021 4.329 3.314 1.00 24.55 H new ATOM 0 HH22 ARG A 43 -25.095 4.918 2.042 1.00 24.55 H new ATOM 705 N PHE A 44 -18.327 4.257 -2.193 1.00 45.43 N ATOM 706 CA PHE A 44 -19.032 4.534 -3.440 1.00 32.51 C ATOM 707 C PHE A 44 -18.635 3.535 -4.522 1.00 20.42 C ATOM 708 O PHE A 44 -19.466 2.770 -5.011 1.00 34.54 O ATOM 709 CB PHE A 44 -18.737 5.959 -3.913 1.00 75.24 C ATOM 710 CG PHE A 44 -19.835 6.934 -3.600 1.00 4.51 C ATOM 711 CD1 PHE A 44 -20.421 6.960 -2.345 1.00 31.33 C ATOM 712 CD2 PHE A 44 -20.283 7.825 -4.563 1.00 73.31 C ATOM 713 CE1 PHE A 44 -21.432 7.856 -2.055 1.00 43.51 C ATOM 714 CE2 PHE A 44 -21.293 8.724 -4.278 1.00 20.12 C ATOM 715 CZ PHE A 44 -21.869 8.739 -3.023 1.00 4.01 C ATOM 0 H PHE A 44 -17.562 4.900 -1.989 1.00 45.43 H new ATOM 0 HA PHE A 44 -20.101 4.435 -3.253 1.00 32.51 H new ATOM 0 HB2 PHE A 44 -17.813 6.303 -3.449 1.00 75.24 H new ATOM 0 HB3 PHE A 44 -18.568 5.948 -4.990 1.00 75.24 H new ATOM 0 HD1 PHE A 44 -20.084 6.272 -1.584 1.00 31.33 H new ATOM 0 HD2 PHE A 44 -19.838 7.816 -5.547 1.00 73.31 H new ATOM 0 HE1 PHE A 44 -21.880 7.866 -1.072 1.00 43.51 H new ATOM 0 HE2 PHE A 44 -21.632 9.414 -5.036 1.00 20.12 H new ATOM 0 HZ PHE A 44 -22.660 9.440 -2.799 1.00 4.01 H new ATOM 725 N ALA A 45 -17.358 3.547 -4.891 1.00 42.13 N ATOM 726 CA ALA A 45 -16.849 2.641 -5.913 1.00 14.44 C ATOM 727 C ALA A 45 -15.487 3.099 -6.422 1.00 13.44 C ATOM 728 O ALA A 45 -15.033 2.670 -7.484 1.00 50.50 O ATOM 729 CB ALA A 45 -17.837 2.538 -7.065 1.00 22.21 C ATOM 0 H ALA A 45 -16.657 4.175 -4.497 1.00 42.13 H new ATOM 0 HA ALA A 45 -16.728 1.656 -5.463 1.00 14.44 H new ATOM 0 HB1 ALA A 45 -17.444 1.858 -7.821 1.00 22.21 H new ATOM 0 HB2 ALA A 45 -18.789 2.158 -6.695 1.00 22.21 H new ATOM 0 HB3 ALA A 45 -17.986 3.524 -7.506 1.00 22.21 H new ATOM 735 N VAL A 46 -14.837 3.973 -5.660 1.00 45.32 N ATOM 736 CA VAL A 46 -13.526 4.489 -6.034 1.00 62.22 C ATOM 737 C VAL A 46 -12.499 4.225 -4.939 1.00 12.00 C ATOM 738 O VAL A 46 -12.816 4.280 -3.751 1.00 33.12 O ATOM 739 CB VAL A 46 -13.578 6.001 -6.321 1.00 51.33 C ATOM 740 CG1 VAL A 46 -12.195 6.527 -6.670 1.00 74.12 C ATOM 741 CG2 VAL A 46 -14.568 6.297 -7.437 1.00 0.53 C ATOM 0 H VAL A 46 -15.198 4.339 -4.779 1.00 45.32 H new ATOM 0 HA VAL A 46 -13.227 3.965 -6.942 1.00 62.22 H new ATOM 0 HB VAL A 46 -13.917 6.513 -5.420 1.00 51.33 H new ATOM 0 HG11 VAL A 46 -12.252 7.597 -6.869 1.00 74.12 H new ATOM 0 HG12 VAL A 46 -11.517 6.349 -5.835 1.00 74.12 H new ATOM 0 HG13 VAL A 46 -11.823 6.012 -7.556 1.00 74.12 H new ATOM 0 HG21 VAL A 46 -14.592 7.370 -7.627 1.00 0.53 H new ATOM 0 HG22 VAL A 46 -14.261 5.775 -8.343 1.00 0.53 H new ATOM 0 HG23 VAL A 46 -15.561 5.958 -7.142 1.00 0.53 H new ATOM 751 N ASN A 47 -11.266 3.939 -5.347 1.00 2.44 N ATOM 752 CA ASN A 47 -10.191 3.667 -4.399 1.00 3.44 C ATOM 753 C ASN A 47 -9.635 4.965 -3.821 1.00 42.10 C ATOM 754 O ASN A 47 -9.461 5.962 -4.522 1.00 74.23 O ATOM 755 CB ASN A 47 -9.071 2.878 -5.080 1.00 1.54 C ATOM 756 CG ASN A 47 -9.598 1.712 -5.894 1.00 41.35 C ATOM 757 OD1 ASN A 47 -10.069 1.887 -7.018 1.00 63.13 O ATOM 758 ND2 ASN A 47 -9.520 0.513 -5.327 1.00 0.10 N ATOM 0 H ASN A 47 -10.987 3.890 -6.327 1.00 2.44 H new ATOM 0 HA ASN A 47 -10.601 3.072 -3.583 1.00 3.44 H new ATOM 0 HB2 ASN A 47 -8.504 3.544 -5.730 1.00 1.54 H new ATOM 0 HB3 ASN A 47 -8.380 2.507 -4.323 1.00 1.54 H new ATOM 0 HD21 ASN A 47 -9.858 -0.310 -5.826 1.00 0.10 H new ATOM 0 HD22 ASN A 47 -9.122 0.415 -4.393 1.00 0.10 H new ATOM 765 N PRO A 48 -9.350 4.954 -2.510 1.00 5.11 N ATOM 766 CA PRO A 48 -8.808 6.121 -1.807 1.00 25.32 C ATOM 767 C PRO A 48 -7.373 6.429 -2.217 1.00 74.34 C ATOM 768 O PRO A 48 -6.813 7.453 -1.830 1.00 54.35 O ATOM 769 CB PRO A 48 -8.868 5.707 -0.335 1.00 41.21 C ATOM 770 CG PRO A 48 -8.821 4.218 -0.357 1.00 15.44 C ATOM 771 CD PRO A 48 -9.534 3.800 -1.613 1.00 60.01 C ATOM 0 HA PRO A 48 -9.368 7.029 -2.031 1.00 25.32 H new ATOM 0 HB2 PRO A 48 -8.031 6.121 0.227 1.00 41.21 H new ATOM 0 HB3 PRO A 48 -9.780 6.067 0.140 1.00 41.21 H new ATOM 0 HG2 PRO A 48 -7.791 3.860 -0.355 1.00 15.44 H new ATOM 0 HG3 PRO A 48 -9.306 3.799 0.525 1.00 15.44 H new ATOM 0 HD2 PRO A 48 -9.105 2.891 -2.035 1.00 60.01 H new ATOM 0 HD3 PRO A 48 -10.589 3.599 -1.428 1.00 60.01 H new ATOM 779 N GLY A 49 -6.782 5.535 -3.004 1.00 74.34 N ATOM 780 CA GLY A 49 -5.415 5.731 -3.453 1.00 24.31 C ATOM 781 C GLY A 49 -5.316 6.728 -4.589 1.00 0.53 C ATOM 782 O GLY A 49 -4.271 7.348 -4.792 1.00 42.44 O ATOM 0 H GLY A 49 -7.225 4.679 -3.339 1.00 74.34 H new ATOM 0 HA2 GLY A 49 -4.807 6.076 -2.617 1.00 24.31 H new ATOM 0 HA3 GLY A 49 -5.001 4.775 -3.775 1.00 24.31 H new ATOM 786 N LEU A 50 -6.405 6.884 -5.335 1.00 74.14 N ATOM 787 CA LEU A 50 -6.435 7.813 -6.459 1.00 2.22 C ATOM 788 C LEU A 50 -6.191 9.244 -5.990 1.00 63.03 C ATOM 789 O LEU A 50 -5.771 10.100 -6.769 1.00 53.53 O ATOM 790 CB LEU A 50 -7.781 7.724 -7.183 1.00 75.04 C ATOM 791 CG LEU A 50 -8.051 6.422 -7.938 1.00 3.22 C ATOM 792 CD1 LEU A 50 -9.479 6.395 -8.460 1.00 44.24 C ATOM 793 CD2 LEU A 50 -7.061 6.253 -9.081 1.00 62.41 C ATOM 0 H LEU A 50 -7.278 6.379 -5.182 1.00 74.14 H new ATOM 0 HA LEU A 50 -5.638 7.536 -7.149 1.00 2.22 H new ATOM 0 HB2 LEU A 50 -8.575 7.867 -6.450 1.00 75.04 H new ATOM 0 HB3 LEU A 50 -7.846 8.551 -7.890 1.00 75.04 H new ATOM 0 HG LEU A 50 -7.922 5.590 -7.246 1.00 3.22 H new ATOM 0 HD11 LEU A 50 -9.653 5.461 -8.995 1.00 44.24 H new ATOM 0 HD12 LEU A 50 -10.174 6.469 -7.623 1.00 44.24 H new ATOM 0 HD13 LEU A 50 -9.635 7.235 -9.137 1.00 44.24 H new ATOM 0 HD21 LEU A 50 -7.268 5.321 -9.607 1.00 62.41 H new ATOM 0 HD22 LEU A 50 -7.158 7.090 -9.773 1.00 62.41 H new ATOM 0 HD23 LEU A 50 -6.047 6.227 -8.683 1.00 62.41 H new ATOM 805 N LEU A 51 -6.456 9.495 -4.713 1.00 4.32 N ATOM 806 CA LEU A 51 -6.263 10.822 -4.139 1.00 52.55 C ATOM 807 C LEU A 51 -4.791 11.071 -3.824 1.00 23.33 C ATOM 808 O LEU A 51 -4.383 12.205 -3.575 1.00 20.42 O ATOM 809 CB LEU A 51 -7.100 10.976 -2.867 1.00 32.24 C ATOM 810 CG LEU A 51 -8.614 10.843 -3.040 1.00 13.35 C ATOM 811 CD1 LEU A 51 -9.315 10.943 -1.695 1.00 43.33 C ATOM 812 CD2 LEU A 51 -9.137 11.905 -3.997 1.00 14.52 C ATOM 0 H LEU A 51 -6.805 8.798 -4.056 1.00 4.32 H new ATOM 0 HA LEU A 51 -6.589 11.559 -4.873 1.00 52.55 H new ATOM 0 HB2 LEU A 51 -6.770 10.228 -2.146 1.00 32.24 H new ATOM 0 HB3 LEU A 51 -6.888 11.953 -2.433 1.00 32.24 H new ATOM 0 HG LEU A 51 -8.827 9.863 -3.466 1.00 13.35 H new ATOM 0 HD11 LEU A 51 -10.391 10.846 -1.838 1.00 43.33 H new ATOM 0 HD12 LEU A 51 -8.962 10.146 -1.041 1.00 43.33 H new ATOM 0 HD13 LEU A 51 -9.095 11.909 -1.241 1.00 43.33 H new ATOM 0 HD21 LEU A 51 -10.216 11.795 -4.108 1.00 14.52 H new ATOM 0 HD22 LEU A 51 -8.912 12.895 -3.600 1.00 14.52 H new ATOM 0 HD23 LEU A 51 -8.658 11.786 -4.969 1.00 14.52 H new ATOM 824 N GLU A 52 -3.999 10.004 -3.841 1.00 31.33 N ATOM 825 CA GLU A 52 -2.572 10.107 -3.560 1.00 42.23 C ATOM 826 C GLU A 52 -1.828 10.726 -4.741 1.00 64.31 C ATOM 827 O GLU A 52 -0.792 11.368 -4.569 1.00 3.52 O ATOM 828 CB GLU A 52 -1.990 8.728 -3.242 1.00 23.24 C ATOM 829 CG GLU A 52 -0.509 8.754 -2.906 1.00 2.44 C ATOM 830 CD GLU A 52 -0.035 7.469 -2.259 1.00 71.40 C ATOM 831 OE1 GLU A 52 -0.849 6.812 -1.576 1.00 73.22 O ATOM 832 OE2 GLU A 52 1.151 7.119 -2.435 1.00 30.33 O ATOM 0 H GLU A 52 -4.321 9.058 -4.046 1.00 31.33 H new ATOM 0 HA GLU A 52 -2.445 10.755 -2.693 1.00 42.23 H new ATOM 0 HB2 GLU A 52 -2.537 8.297 -2.403 1.00 23.24 H new ATOM 0 HB3 GLU A 52 -2.148 8.070 -4.097 1.00 23.24 H new ATOM 0 HG2 GLU A 52 0.063 8.930 -3.817 1.00 2.44 H new ATOM 0 HG3 GLU A 52 -0.307 9.590 -2.236 1.00 2.44 H new ATOM 839 N THR A 53 -2.365 10.525 -5.941 1.00 52.35 N ATOM 840 CA THR A 53 -1.752 11.061 -7.150 1.00 23.22 C ATOM 841 C THR A 53 -2.647 12.109 -7.801 1.00 1.41 C ATOM 842 O THR A 53 -3.829 11.866 -8.045 1.00 34.31 O ATOM 843 CB THR A 53 -1.459 9.946 -8.171 1.00 13.14 C ATOM 844 OG1 THR A 53 -2.520 9.869 -9.130 1.00 13.24 O ATOM 845 CG2 THR A 53 -1.298 8.603 -7.476 1.00 41.43 C ATOM 0 H THR A 53 -3.222 9.996 -6.101 1.00 52.35 H new ATOM 0 HA THR A 53 -0.813 11.525 -6.850 1.00 23.22 H new ATOM 0 HB THR A 53 -0.526 10.187 -8.680 1.00 13.14 H new ATOM 0 HG1 THR A 53 -2.326 9.159 -9.777 1.00 13.24 H new ATOM 0 HG21 THR A 53 -1.092 7.832 -8.218 1.00 41.43 H new ATOM 0 HG22 THR A 53 -0.471 8.656 -6.768 1.00 41.43 H new ATOM 0 HG23 THR A 53 -2.216 8.357 -6.943 1.00 41.43 H new ATOM 853 N SER A 54 -2.075 13.276 -8.083 1.00 43.14 N ATOM 854 CA SER A 54 -2.823 14.363 -8.704 1.00 54.14 C ATOM 855 C SER A 54 -3.605 13.863 -9.914 1.00 22.31 C ATOM 856 O SER A 54 -4.736 14.287 -10.153 1.00 33.43 O ATOM 857 CB SER A 54 -1.874 15.487 -9.126 1.00 63.40 C ATOM 858 OG SER A 54 -0.532 15.174 -8.792 1.00 45.23 O ATOM 0 H SER A 54 -1.097 13.492 -7.891 1.00 43.14 H new ATOM 0 HA SER A 54 -3.530 14.749 -7.970 1.00 54.14 H new ATOM 0 HB2 SER A 54 -1.956 15.652 -10.200 1.00 63.40 H new ATOM 0 HB3 SER A 54 -2.166 16.417 -8.638 1.00 63.40 H new ATOM 0 HG SER A 54 0.055 15.907 -9.073 1.00 45.23 H new ATOM 864 N GLU A 55 -2.995 12.957 -10.672 1.00 44.20 N ATOM 865 CA GLU A 55 -3.635 12.399 -11.858 1.00 41.03 C ATOM 866 C GLU A 55 -4.976 11.763 -11.504 1.00 50.40 C ATOM 867 O GLU A 55 -5.941 11.861 -12.262 1.00 1.14 O ATOM 868 CB GLU A 55 -2.723 11.360 -12.514 1.00 24.43 C ATOM 869 CG GLU A 55 -2.597 11.526 -14.019 1.00 21.23 C ATOM 870 CD GLU A 55 -1.158 11.685 -14.470 1.00 21.12 C ATOM 871 OE1 GLU A 55 -0.317 10.849 -14.079 1.00 51.43 O ATOM 872 OE2 GLU A 55 -0.873 12.645 -15.216 1.00 2.12 O ATOM 0 H GLU A 55 -2.060 12.594 -10.486 1.00 44.20 H new ATOM 0 HA GLU A 55 -3.813 13.213 -12.561 1.00 41.03 H new ATOM 0 HB2 GLU A 55 -1.732 11.424 -12.065 1.00 24.43 H new ATOM 0 HB3 GLU A 55 -3.107 10.363 -12.298 1.00 24.43 H new ATOM 0 HG2 GLU A 55 -3.035 10.660 -14.514 1.00 21.23 H new ATOM 0 HG3 GLU A 55 -3.171 12.397 -14.334 1.00 21.23 H new ATOM 879 N GLY A 56 -5.029 11.111 -10.347 1.00 71.13 N ATOM 880 CA GLY A 56 -6.256 10.468 -9.913 1.00 1.32 C ATOM 881 C GLY A 56 -7.352 11.465 -9.596 1.00 40.12 C ATOM 882 O GLY A 56 -8.498 11.290 -10.010 1.00 5.03 O ATOM 0 H GLY A 56 -4.244 11.016 -9.702 1.00 71.13 H new ATOM 0 HA2 GLY A 56 -6.602 9.788 -10.692 1.00 1.32 H new ATOM 0 HA3 GLY A 56 -6.053 9.863 -9.029 1.00 1.32 H new ATOM 886 N CYS A 57 -7.001 12.513 -8.859 1.00 3.54 N ATOM 887 CA CYS A 57 -7.965 13.543 -8.485 1.00 24.31 C ATOM 888 C CYS A 57 -8.520 14.244 -9.721 1.00 71.44 C ATOM 889 O CYS A 57 -9.624 14.789 -9.694 1.00 75.00 O ATOM 890 CB CYS A 57 -7.314 14.566 -7.552 1.00 63.52 C ATOM 891 SG CYS A 57 -7.294 14.071 -5.813 1.00 31.41 S ATOM 0 H CYS A 57 -6.056 12.672 -8.508 1.00 3.54 H new ATOM 0 HA CYS A 57 -8.791 13.060 -7.963 1.00 24.31 H new ATOM 0 HB2 CYS A 57 -6.290 14.741 -7.881 1.00 63.52 H new ATOM 0 HB3 CYS A 57 -7.844 15.514 -7.643 1.00 63.52 H new ATOM 0 HG CYS A 57 -6.722 14.999 -5.104 1.00 31.41 H new ATOM 897 N ARG A 58 -7.748 14.225 -10.801 1.00 10.23 N ATOM 898 CA ARG A 58 -8.161 14.861 -12.046 1.00 34.25 C ATOM 899 C ARG A 58 -9.357 14.137 -12.657 1.00 53.22 C ATOM 900 O ARG A 58 -10.251 14.765 -13.223 1.00 62.42 O ATOM 901 CB ARG A 58 -7.000 14.881 -13.044 1.00 63.11 C ATOM 902 CG ARG A 58 -6.673 16.269 -13.569 1.00 73.35 C ATOM 903 CD ARG A 58 -6.649 16.299 -15.089 1.00 60.32 C ATOM 904 NE ARG A 58 -5.359 15.871 -15.625 1.00 43.33 N ATOM 905 CZ ARG A 58 -5.016 15.999 -16.901 1.00 31.32 C ATOM 906 NH1 ARG A 58 -5.861 16.538 -17.769 1.00 1.11 N ATOM 907 NH2 ARG A 58 -3.823 15.587 -17.314 1.00 64.44 N ATOM 0 H ARG A 58 -6.833 13.776 -10.840 1.00 10.23 H new ATOM 0 HA ARG A 58 -8.455 15.886 -11.820 1.00 34.25 H new ATOM 0 HB2 ARG A 58 -6.114 14.464 -12.566 1.00 63.11 H new ATOM 0 HB3 ARG A 58 -7.243 14.232 -13.885 1.00 63.11 H new ATOM 0 HG2 ARG A 58 -7.412 16.981 -13.202 1.00 73.35 H new ATOM 0 HG3 ARG A 58 -5.705 16.586 -13.183 1.00 73.35 H new ATOM 0 HD2 ARG A 58 -7.435 15.651 -15.477 1.00 60.32 H new ATOM 0 HD3 ARG A 58 -6.868 17.309 -15.435 1.00 60.32 H new ATOM 0 HE ARG A 58 -4.686 15.451 -14.984 1.00 43.33 H new ATOM 0 HH11 ARG A 58 -6.779 16.856 -17.457 1.00 1.11 H new ATOM 0 HH12 ARG A 58 -5.593 16.635 -18.749 1.00 1.11 H new ATOM 0 HH21 ARG A 58 -3.169 15.172 -16.651 1.00 64.44 H new ATOM 0 HH22 ARG A 58 -3.561 15.686 -18.295 1.00 64.44 H new ATOM 921 N GLN A 59 -9.365 12.813 -12.536 1.00 52.20 N ATOM 922 CA GLN A 59 -10.451 12.004 -13.077 1.00 0.31 C ATOM 923 C GLN A 59 -11.687 12.087 -12.187 1.00 12.22 C ATOM 924 O GLN A 59 -12.817 11.983 -12.666 1.00 10.14 O ATOM 925 CB GLN A 59 -10.007 10.547 -13.219 1.00 24.20 C ATOM 926 CG GLN A 59 -10.445 9.903 -14.525 1.00 31.52 C ATOM 927 CD GLN A 59 -9.274 9.530 -15.412 1.00 33.41 C ATOM 928 OE1 GLN A 59 -9.062 10.130 -16.465 1.00 13.34 O ATOM 929 NE2 GLN A 59 -8.505 8.532 -14.990 1.00 64.21 N ATOM 0 H GLN A 59 -8.633 12.279 -12.069 1.00 52.20 H new ATOM 0 HA GLN A 59 -10.708 12.396 -14.061 1.00 0.31 H new ATOM 0 HB2 GLN A 59 -8.921 10.498 -13.146 1.00 24.20 H new ATOM 0 HB3 GLN A 59 -10.409 9.970 -12.386 1.00 24.20 H new ATOM 0 HG2 GLN A 59 -11.030 9.010 -14.307 1.00 31.52 H new ATOM 0 HG3 GLN A 59 -11.099 10.589 -15.063 1.00 31.52 H new ATOM 0 HE21 GLN A 59 -8.717 8.062 -14.110 1.00 64.21 H new ATOM 0 HE22 GLN A 59 -7.703 8.236 -15.546 1.00 64.21 H new ATOM 938 N ILE A 60 -11.465 12.275 -10.890 1.00 23.04 N ATOM 939 CA ILE A 60 -12.562 12.373 -9.935 1.00 75.33 C ATOM 940 C ILE A 60 -13.363 13.652 -10.147 1.00 14.14 C ATOM 941 O ILE A 60 -14.590 13.619 -10.249 1.00 40.31 O ATOM 942 CB ILE A 60 -12.048 12.336 -8.484 1.00 51.33 C ATOM 943 CG1 ILE A 60 -11.211 11.078 -8.247 1.00 71.35 C ATOM 944 CG2 ILE A 60 -13.213 12.396 -7.507 1.00 3.21 C ATOM 945 CD1 ILE A 60 -10.347 11.150 -7.007 1.00 11.24 C ATOM 0 H ILE A 60 -10.536 12.362 -10.477 1.00 23.04 H new ATOM 0 HA ILE A 60 -13.208 11.512 -10.106 1.00 75.33 H new ATOM 0 HB ILE A 60 -11.414 13.207 -8.317 1.00 51.33 H new ATOM 0 HG12 ILE A 60 -11.877 10.219 -8.166 1.00 71.35 H new ATOM 0 HG13 ILE A 60 -10.573 10.907 -9.114 1.00 71.35 H new ATOM 0 HG21 ILE A 60 -12.833 12.369 -6.486 1.00 3.21 H new ATOM 0 HG22 ILE A 60 -13.771 13.319 -7.662 1.00 3.21 H new ATOM 0 HG23 ILE A 60 -13.871 11.543 -7.672 1.00 3.21 H new ATOM 0 HD11 ILE A 60 -9.782 10.224 -6.903 1.00 11.24 H new ATOM 0 HD12 ILE A 60 -9.656 11.989 -7.093 1.00 11.24 H new ATOM 0 HD13 ILE A 60 -10.980 11.290 -6.130 1.00 11.24 H new ATOM 957 N LEU A 61 -12.662 14.779 -10.214 1.00 21.01 N ATOM 958 CA LEU A 61 -13.307 16.071 -10.416 1.00 44.11 C ATOM 959 C LEU A 61 -14.082 16.093 -11.731 1.00 53.01 C ATOM 960 O LEU A 61 -15.229 16.536 -11.781 1.00 55.23 O ATOM 961 CB LEU A 61 -12.266 17.192 -10.405 1.00 30.42 C ATOM 962 CG LEU A 61 -11.522 17.402 -9.087 1.00 72.15 C ATOM 963 CD1 LEU A 61 -10.224 18.159 -9.322 1.00 51.03 C ATOM 964 CD2 LEU A 61 -12.400 18.144 -8.090 1.00 21.41 C ATOM 0 H LEU A 61 -11.646 14.824 -10.131 1.00 21.01 H new ATOM 0 HA LEU A 61 -14.010 16.230 -9.598 1.00 44.11 H new ATOM 0 HB2 LEU A 61 -11.532 16.987 -11.185 1.00 30.42 H new ATOM 0 HB3 LEU A 61 -12.763 18.125 -10.672 1.00 30.42 H new ATOM 0 HG LEU A 61 -11.279 16.425 -8.670 1.00 72.15 H new ATOM 0 HD11 LEU A 61 -9.708 18.299 -8.372 1.00 51.03 H new ATOM 0 HD12 LEU A 61 -9.588 17.590 -10.000 1.00 51.03 H new ATOM 0 HD13 LEU A 61 -10.445 19.131 -9.762 1.00 51.03 H new ATOM 0 HD21 LEU A 61 -11.853 18.284 -7.158 1.00 21.41 H new ATOM 0 HD22 LEU A 61 -12.674 19.116 -8.500 1.00 21.41 H new ATOM 0 HD23 LEU A 61 -13.302 17.564 -7.898 1.00 21.41 H new ATOM 976 N GLY A 62 -13.445 15.611 -12.794 1.00 44.00 N ATOM 977 CA GLY A 62 -14.091 15.582 -14.094 1.00 13.54 C ATOM 978 C GLY A 62 -15.226 14.581 -14.156 1.00 21.25 C ATOM 979 O GLY A 62 -16.127 14.706 -14.986 1.00 31.10 O ATOM 0 H GLY A 62 -12.495 15.241 -12.779 1.00 44.00 H new ATOM 0 HA2 GLY A 62 -14.474 16.575 -14.328 1.00 13.54 H new ATOM 0 HA3 GLY A 62 -13.353 15.337 -14.858 1.00 13.54 H new ATOM 983 N GLN A 63 -15.183 13.584 -13.279 1.00 10.11 N ATOM 984 CA GLN A 63 -16.216 12.556 -13.240 1.00 60.41 C ATOM 985 C GLN A 63 -17.452 13.052 -12.497 1.00 55.32 C ATOM 986 O GLN A 63 -18.581 12.843 -12.939 1.00 60.42 O ATOM 987 CB GLN A 63 -15.679 11.288 -12.571 1.00 3.53 C ATOM 988 CG GLN A 63 -16.739 10.222 -12.349 1.00 13.11 C ATOM 989 CD GLN A 63 -16.212 9.026 -11.581 1.00 42.23 C ATOM 990 OE1 GLN A 63 -15.084 8.583 -11.796 1.00 50.10 O ATOM 991 NE2 GLN A 63 -17.028 8.498 -10.675 1.00 12.22 N ATOM 0 H GLN A 63 -14.444 13.466 -12.586 1.00 10.11 H new ATOM 0 HA GLN A 63 -16.501 12.325 -14.266 1.00 60.41 H new ATOM 0 HB2 GLN A 63 -14.881 10.873 -13.186 1.00 3.53 H new ATOM 0 HB3 GLN A 63 -15.236 11.553 -11.611 1.00 3.53 H new ATOM 0 HG2 GLN A 63 -17.578 10.657 -11.806 1.00 13.11 H new ATOM 0 HG3 GLN A 63 -17.122 9.889 -13.314 1.00 13.11 H new ATOM 0 HE21 GLN A 63 -17.955 8.897 -10.529 1.00 12.22 H new ATOM 0 HE22 GLN A 63 -16.727 7.693 -10.125 1.00 12.22 H new ATOM 1000 N LEU A 64 -17.229 13.712 -11.365 1.00 74.43 N ATOM 1001 CA LEU A 64 -18.324 14.239 -10.559 1.00 61.33 C ATOM 1002 C LEU A 64 -18.871 15.530 -11.160 1.00 31.44 C ATOM 1003 O LEU A 64 -20.026 15.890 -10.935 1.00 53.34 O ATOM 1004 CB LEU A 64 -17.853 14.491 -9.125 1.00 4.42 C ATOM 1005 CG LEU A 64 -17.255 13.289 -8.394 1.00 33.51 C ATOM 1006 CD1 LEU A 64 -16.553 13.733 -7.121 1.00 52.53 C ATOM 1007 CD2 LEU A 64 -18.335 12.264 -8.079 1.00 2.13 C ATOM 0 H LEU A 64 -16.300 13.894 -10.985 1.00 74.43 H new ATOM 0 HA LEU A 64 -19.123 13.498 -10.548 1.00 61.33 H new ATOM 0 HB2 LEU A 64 -17.109 15.287 -9.143 1.00 4.42 H new ATOM 0 HB3 LEU A 64 -18.699 14.859 -8.545 1.00 4.42 H new ATOM 0 HG LEU A 64 -16.518 12.822 -9.047 1.00 33.51 H new ATOM 0 HD11 LEU A 64 -16.134 12.864 -6.614 1.00 52.53 H new ATOM 0 HD12 LEU A 64 -15.752 14.429 -7.371 1.00 52.53 H new ATOM 0 HD13 LEU A 64 -17.269 14.226 -6.463 1.00 52.53 H new ATOM 0 HD21 LEU A 64 -17.891 11.415 -7.559 1.00 2.13 H new ATOM 0 HD22 LEU A 64 -19.096 12.720 -7.446 1.00 2.13 H new ATOM 0 HD23 LEU A 64 -18.793 11.921 -9.007 1.00 2.13 H new ATOM 1019 N GLN A 65 -18.035 16.220 -11.929 1.00 33.53 N ATOM 1020 CA GLN A 65 -18.435 17.468 -12.565 1.00 1.33 C ATOM 1021 C GLN A 65 -19.930 17.470 -12.868 1.00 24.24 C ATOM 1022 O GLN A 65 -20.685 18.313 -12.383 1.00 23.31 O ATOM 1023 CB GLN A 65 -17.642 17.687 -13.854 1.00 15.31 C ATOM 1024 CG GLN A 65 -16.512 18.696 -13.710 1.00 64.23 C ATOM 1025 CD GLN A 65 -17.009 20.128 -13.693 1.00 72.22 C ATOM 1026 OE1 GLN A 65 -18.064 20.426 -13.132 1.00 21.40 O ATOM 1027 NE2 GLN A 65 -16.248 21.026 -14.309 1.00 71.04 N ATOM 0 H GLN A 65 -17.076 15.935 -12.126 1.00 33.53 H new ATOM 0 HA GLN A 65 -18.221 18.283 -11.873 1.00 1.33 H new ATOM 0 HB2 GLN A 65 -17.227 16.734 -14.182 1.00 15.31 H new ATOM 0 HB3 GLN A 65 -18.322 18.025 -14.636 1.00 15.31 H new ATOM 0 HG2 GLN A 65 -15.965 18.494 -12.789 1.00 64.23 H new ATOM 0 HG3 GLN A 65 -15.809 18.569 -14.533 1.00 64.23 H new ATOM 0 HE21 GLN A 65 -15.381 20.736 -14.761 1.00 71.04 H new ATOM 0 HE22 GLN A 65 -16.531 22.006 -14.330 1.00 71.04 H new ATOM 1036 N PRO A 66 -20.369 16.505 -13.690 1.00 71.12 N ATOM 1037 CA PRO A 66 -21.777 16.374 -14.075 1.00 72.31 C ATOM 1038 C PRO A 66 -22.656 15.921 -12.915 1.00 2.21 C ATOM 1039 O PRO A 66 -23.712 16.501 -12.660 1.00 24.44 O ATOM 1040 CB PRO A 66 -21.746 15.305 -15.171 1.00 63.25 C ATOM 1041 CG PRO A 66 -20.523 14.504 -14.885 1.00 10.42 C ATOM 1042 CD PRO A 66 -19.524 15.467 -14.304 1.00 0.32 C ATOM 0 HA PRO A 66 -22.201 17.325 -14.398 1.00 72.31 H new ATOM 0 HB2 PRO A 66 -22.641 14.684 -15.144 1.00 63.25 H new ATOM 0 HB3 PRO A 66 -21.701 15.756 -16.162 1.00 63.25 H new ATOM 0 HG2 PRO A 66 -20.740 13.697 -14.185 1.00 10.42 H new ATOM 0 HG3 PRO A 66 -20.137 14.043 -15.794 1.00 10.42 H new ATOM 0 HD2 PRO A 66 -18.882 14.984 -13.568 1.00 0.32 H new ATOM 0 HD3 PRO A 66 -18.872 15.882 -15.072 1.00 0.32 H new ATOM 1050 N SER A 67 -22.214 14.883 -12.213 1.00 24.45 N ATOM 1051 CA SER A 67 -22.963 14.350 -11.081 1.00 65.25 C ATOM 1052 C SER A 67 -23.294 15.454 -10.081 1.00 22.25 C ATOM 1053 O SER A 67 -24.178 15.300 -9.237 1.00 72.21 O ATOM 1054 CB SER A 67 -22.165 13.243 -10.390 1.00 42.03 C ATOM 1055 OG SER A 67 -22.950 12.074 -10.228 1.00 15.11 O ATOM 0 H SER A 67 -21.340 14.394 -12.408 1.00 24.45 H new ATOM 0 HA SER A 67 -23.897 13.933 -11.458 1.00 65.25 H new ATOM 0 HB2 SER A 67 -21.277 13.010 -10.977 1.00 42.03 H new ATOM 0 HB3 SER A 67 -21.821 13.592 -9.416 1.00 42.03 H new ATOM 0 HG SER A 67 -22.417 11.381 -9.786 1.00 15.11 H new ATOM 1061 N LEU A 68 -22.579 16.569 -10.183 1.00 52.05 N ATOM 1062 CA LEU A 68 -22.795 17.701 -9.288 1.00 62.33 C ATOM 1063 C LEU A 68 -24.189 18.289 -9.482 1.00 11.43 C ATOM 1064 O LEU A 68 -24.730 18.936 -8.585 1.00 60.10 O ATOM 1065 CB LEU A 68 -21.736 18.777 -9.530 1.00 32.21 C ATOM 1066 CG LEU A 68 -20.328 18.459 -9.025 1.00 41.32 C ATOM 1067 CD1 LEU A 68 -19.295 19.300 -9.760 1.00 52.31 C ATOM 1068 CD2 LEU A 68 -20.235 18.689 -7.524 1.00 32.32 C ATOM 0 H LEU A 68 -21.845 16.714 -10.876 1.00 52.05 H new ATOM 0 HA LEU A 68 -22.711 17.343 -8.262 1.00 62.33 H new ATOM 0 HB2 LEU A 68 -21.681 18.970 -10.601 1.00 32.21 H new ATOM 0 HB3 LEU A 68 -22.070 19.700 -9.057 1.00 32.21 H new ATOM 0 HG LEU A 68 -20.120 17.408 -9.225 1.00 41.32 H new ATOM 0 HD11 LEU A 68 -18.299 19.060 -9.388 1.00 52.31 H new ATOM 0 HD12 LEU A 68 -19.344 19.086 -10.828 1.00 52.31 H new ATOM 0 HD13 LEU A 68 -19.500 20.357 -9.592 1.00 52.31 H new ATOM 0 HD21 LEU A 68 -19.226 18.458 -7.182 1.00 32.32 H new ATOM 0 HD22 LEU A 68 -20.464 19.731 -7.301 1.00 32.32 H new ATOM 0 HD23 LEU A 68 -20.948 18.043 -7.012 1.00 32.32 H new ATOM 1080 N GLN A 69 -24.764 18.060 -10.658 1.00 70.14 N ATOM 1081 CA GLN A 69 -26.095 18.567 -10.969 1.00 42.11 C ATOM 1082 C GLN A 69 -27.090 18.186 -9.878 1.00 25.40 C ATOM 1083 O GLN A 69 -27.909 19.004 -9.455 1.00 53.22 O ATOM 1084 CB GLN A 69 -26.568 18.026 -12.319 1.00 55.40 C ATOM 1085 CG GLN A 69 -27.789 18.745 -12.869 1.00 65.11 C ATOM 1086 CD GLN A 69 -28.937 17.801 -13.168 1.00 62.22 C ATOM 1087 OE1 GLN A 69 -30.066 18.018 -12.728 1.00 71.23 O ATOM 1088 NE2 GLN A 69 -28.653 16.744 -13.921 1.00 10.00 N ATOM 0 H GLN A 69 -24.329 17.527 -11.411 1.00 70.14 H new ATOM 0 HA GLN A 69 -26.039 19.654 -11.022 1.00 42.11 H new ATOM 0 HB2 GLN A 69 -25.754 18.108 -13.039 1.00 55.40 H new ATOM 0 HB3 GLN A 69 -26.797 16.965 -12.216 1.00 55.40 H new ATOM 0 HG2 GLN A 69 -28.118 19.495 -12.150 1.00 65.11 H new ATOM 0 HG3 GLN A 69 -27.513 19.276 -13.780 1.00 65.11 H new ATOM 0 HE21 GLN A 69 -27.703 16.603 -14.265 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -29.385 16.073 -14.156 1.00 10.00 H new ATOM 1097 N THR A 70 -27.017 16.938 -9.426 1.00 21.45 N ATOM 1098 CA THR A 70 -27.912 16.447 -8.386 1.00 5.11 C ATOM 1099 C THR A 70 -27.152 15.637 -7.343 1.00 32.00 C ATOM 1100 O THR A 70 -27.627 14.601 -6.879 1.00 1.23 O ATOM 1101 CB THR A 70 -29.036 15.576 -8.977 1.00 22.20 C ATOM 1102 OG1 THR A 70 -29.296 15.963 -10.331 1.00 44.52 O ATOM 1103 CG2 THR A 70 -30.310 15.702 -8.154 1.00 30.34 C ATOM 0 H THR A 70 -26.346 16.248 -9.765 1.00 21.45 H new ATOM 0 HA THR A 70 -28.353 17.323 -7.910 1.00 5.11 H new ATOM 0 HB THR A 70 -28.709 14.536 -8.953 1.00 22.20 H new ATOM 0 HG1 THR A 70 -30.011 15.403 -10.700 1.00 44.52 H new ATOM 0 HG21 THR A 70 -31.089 15.078 -8.591 1.00 30.34 H new ATOM 0 HG22 THR A 70 -30.116 15.377 -7.132 1.00 30.34 H new ATOM 0 HG23 THR A 70 -30.638 16.741 -8.149 1.00 30.34 H new ATOM 1111 N GLY A 71 -25.967 16.117 -6.976 1.00 10.14 N ATOM 1112 CA GLY A 71 -25.159 15.424 -5.989 1.00 45.24 C ATOM 1113 C GLY A 71 -25.538 15.793 -4.568 1.00 5.11 C ATOM 1114 O GLY A 71 -25.688 16.972 -4.244 1.00 22.53 O ATOM 0 H GLY A 71 -25.552 16.973 -7.345 1.00 10.14 H new ATOM 0 HA2 GLY A 71 -25.270 14.348 -6.124 1.00 45.24 H new ATOM 0 HA3 GLY A 71 -24.108 15.659 -6.154 1.00 45.24 H new ATOM 1118 N SER A 72 -25.696 14.783 -3.718 1.00 70.11 N ATOM 1119 CA SER A 72 -26.066 15.006 -2.325 1.00 13.34 C ATOM 1120 C SER A 72 -24.933 15.689 -1.565 1.00 30.14 C ATOM 1121 O SER A 72 -23.949 16.127 -2.161 1.00 75.14 O ATOM 1122 CB SER A 72 -26.422 13.680 -1.651 1.00 54.02 C ATOM 1123 OG SER A 72 -25.285 13.102 -1.033 1.00 73.43 O ATOM 0 H SER A 72 -25.574 13.802 -3.970 1.00 70.11 H new ATOM 0 HA SER A 72 -26.938 15.660 -2.306 1.00 13.34 H new ATOM 0 HB2 SER A 72 -27.201 13.844 -0.906 1.00 54.02 H new ATOM 0 HB3 SER A 72 -26.828 12.990 -2.390 1.00 54.02 H new ATOM 0 HG SER A 72 -25.538 12.256 -0.608 1.00 73.43 H new ATOM 1129 N GLU A 73 -25.080 15.775 -0.248 1.00 43.35 N ATOM 1130 CA GLU A 73 -24.069 16.404 0.594 1.00 41.34 C ATOM 1131 C GLU A 73 -22.743 15.656 0.503 1.00 53.02 C ATOM 1132 O GLU A 73 -21.675 16.244 0.674 1.00 10.34 O ATOM 1133 CB GLU A 73 -24.542 16.452 2.049 1.00 25.31 C ATOM 1134 CG GLU A 73 -24.693 15.080 2.685 1.00 22.21 C ATOM 1135 CD GLU A 73 -25.770 15.047 3.751 1.00 41.22 C ATOM 1136 OE1 GLU A 73 -26.960 15.184 3.397 1.00 14.23 O ATOM 1137 OE2 GLU A 73 -25.425 14.884 4.940 1.00 34.24 O ATOM 0 H GLU A 73 -25.889 15.417 0.260 1.00 43.35 H new ATOM 0 HA GLU A 73 -23.917 17.422 0.236 1.00 41.34 H new ATOM 0 HB2 GLU A 73 -23.833 17.038 2.634 1.00 25.31 H new ATOM 0 HB3 GLU A 73 -25.499 16.972 2.094 1.00 25.31 H new ATOM 0 HG2 GLU A 73 -24.930 14.349 1.912 1.00 22.21 H new ATOM 0 HG3 GLU A 73 -23.742 14.781 3.125 1.00 22.21 H new ATOM 1144 N GLU A 74 -22.820 14.357 0.235 1.00 51.23 N ATOM 1145 CA GLU A 74 -21.625 13.529 0.124 1.00 33.55 C ATOM 1146 C GLU A 74 -20.844 13.869 -1.143 1.00 62.42 C ATOM 1147 O GLU A 74 -19.638 14.115 -1.094 1.00 74.42 O ATOM 1148 CB GLU A 74 -22.004 12.045 0.119 1.00 4.43 C ATOM 1149 CG GLU A 74 -22.876 11.638 1.295 1.00 24.42 C ATOM 1150 CD GLU A 74 -23.396 10.218 1.170 1.00 74.43 C ATOM 1151 OE1 GLU A 74 -23.850 9.848 0.067 1.00 63.42 O ATOM 1152 OE2 GLU A 74 -23.347 9.478 2.174 1.00 64.03 O ATOM 0 H GLU A 74 -23.696 13.855 0.091 1.00 51.23 H new ATOM 0 HA GLU A 74 -20.991 13.732 0.987 1.00 33.55 H new ATOM 0 HB2 GLU A 74 -22.528 11.815 -0.809 1.00 4.43 H new ATOM 0 HB3 GLU A 74 -21.094 11.446 0.127 1.00 4.43 H new ATOM 0 HG2 GLU A 74 -22.303 11.732 2.217 1.00 24.42 H new ATOM 0 HG3 GLU A 74 -23.719 12.325 1.373 1.00 24.42 H new ATOM 1159 N LEU A 75 -21.538 13.878 -2.274 1.00 1.22 N ATOM 1160 CA LEU A 75 -20.911 14.187 -3.555 1.00 50.24 C ATOM 1161 C LEU A 75 -20.420 15.632 -3.586 1.00 70.31 C ATOM 1162 O LEU A 75 -19.341 15.920 -4.104 1.00 32.43 O ATOM 1163 CB LEU A 75 -21.896 13.947 -4.700 1.00 43.54 C ATOM 1164 CG LEU A 75 -21.293 13.888 -6.104 1.00 44.31 C ATOM 1165 CD1 LEU A 75 -21.965 12.801 -6.928 1.00 72.40 C ATOM 1166 CD2 LEU A 75 -21.419 15.239 -6.794 1.00 24.54 C ATOM 0 H LEU A 75 -22.536 13.675 -2.331 1.00 1.22 H new ATOM 0 HA LEU A 75 -20.052 13.527 -3.679 1.00 50.24 H new ATOM 0 HB2 LEU A 75 -22.419 13.010 -4.512 1.00 43.54 H new ATOM 0 HB3 LEU A 75 -22.644 14.739 -4.681 1.00 43.54 H new ATOM 0 HG LEU A 75 -20.234 13.645 -6.015 1.00 44.31 H new ATOM 0 HD11 LEU A 75 -21.523 12.774 -7.924 1.00 72.40 H new ATOM 0 HD12 LEU A 75 -21.823 11.836 -6.442 1.00 72.40 H new ATOM 0 HD13 LEU A 75 -23.031 13.013 -7.010 1.00 72.40 H new ATOM 0 HD21 LEU A 75 -20.985 15.180 -7.792 1.00 24.54 H new ATOM 0 HD22 LEU A 75 -22.472 15.511 -6.872 1.00 24.54 H new ATOM 0 HD23 LEU A 75 -20.891 15.995 -6.213 1.00 24.54 H new ATOM 1178 N ARG A 76 -21.218 16.535 -3.027 1.00 65.44 N ATOM 1179 CA ARG A 76 -20.864 17.948 -2.989 1.00 43.51 C ATOM 1180 C ARG A 76 -19.579 18.167 -2.196 1.00 30.43 C ATOM 1181 O ARG A 76 -18.617 18.745 -2.701 1.00 63.01 O ATOM 1182 CB ARG A 76 -22.002 18.764 -2.373 1.00 50.24 C ATOM 1183 CG ARG A 76 -21.973 20.236 -2.753 1.00 35.42 C ATOM 1184 CD ARG A 76 -22.985 21.039 -1.952 1.00 32.04 C ATOM 1185 NE ARG A 76 -22.421 21.538 -0.701 1.00 2.34 N ATOM 1186 CZ ARG A 76 -21.628 22.602 -0.624 1.00 31.33 C ATOM 1187 NH1 ARG A 76 -21.308 23.274 -1.722 1.00 15.20 N ATOM 1188 NH2 ARG A 76 -21.154 22.994 0.551 1.00 32.31 N ATOM 0 H ARG A 76 -22.114 16.313 -2.594 1.00 65.44 H new ATOM 0 HA ARG A 76 -20.699 18.283 -4.013 1.00 43.51 H new ATOM 0 HB2 ARG A 76 -22.955 18.336 -2.685 1.00 50.24 H new ATOM 0 HB3 ARG A 76 -21.954 18.677 -1.288 1.00 50.24 H new ATOM 0 HG2 ARG A 76 -20.973 20.637 -2.584 1.00 35.42 H new ATOM 0 HG3 ARG A 76 -22.183 20.342 -3.817 1.00 35.42 H new ATOM 0 HD2 ARG A 76 -23.337 21.879 -2.551 1.00 32.04 H new ATOM 0 HD3 ARG A 76 -23.853 20.416 -1.735 1.00 32.04 H new ATOM 0 HE ARG A 76 -22.648 21.043 0.161 1.00 2.34 H new ATOM 0 HH11 ARG A 76 -21.671 22.974 -2.627 1.00 15.20 H new ATOM 0 HH12 ARG A 76 -20.699 24.090 -1.661 1.00 15.20 H new ATOM 0 HH21 ARG A 76 -21.398 22.479 1.397 1.00 32.31 H new ATOM 0 HH22 ARG A 76 -20.546 23.811 0.609 1.00 32.31 H new ATOM 1202 N SER A 77 -19.572 17.700 -0.951 1.00 35.15 N ATOM 1203 CA SER A 77 -18.407 17.848 -0.088 1.00 74.42 C ATOM 1204 C SER A 77 -17.147 17.337 -0.781 1.00 60.43 C ATOM 1205 O SER A 77 -16.080 17.943 -0.681 1.00 41.11 O ATOM 1206 CB SER A 77 -18.621 17.094 1.227 1.00 34.14 C ATOM 1207 OG SER A 77 -19.277 17.910 2.182 1.00 54.22 O ATOM 0 H SER A 77 -20.359 17.217 -0.519 1.00 35.15 H new ATOM 0 HA SER A 77 -18.277 18.909 0.126 1.00 74.42 H new ATOM 0 HB2 SER A 77 -19.212 16.197 1.043 1.00 34.14 H new ATOM 0 HB3 SER A 77 -17.660 16.767 1.623 1.00 34.14 H new ATOM 0 HG SER A 77 -18.924 17.717 3.075 1.00 54.22 H new ATOM 1213 N LEU A 78 -17.280 16.217 -1.483 1.00 74.21 N ATOM 1214 CA LEU A 78 -16.153 15.622 -2.194 1.00 0.42 C ATOM 1215 C LEU A 78 -15.531 16.623 -3.163 1.00 72.52 C ATOM 1216 O LEU A 78 -14.340 16.925 -3.079 1.00 23.52 O ATOM 1217 CB LEU A 78 -16.605 14.374 -2.953 1.00 23.33 C ATOM 1218 CG LEU A 78 -16.207 13.032 -2.336 1.00 22.15 C ATOM 1219 CD1 LEU A 78 -14.699 12.952 -2.161 1.00 44.22 C ATOM 1220 CD2 LEU A 78 -16.914 12.827 -1.004 1.00 34.03 C ATOM 0 H LEU A 78 -18.156 15.703 -1.575 1.00 74.21 H new ATOM 0 HA LEU A 78 -15.400 15.339 -1.459 1.00 0.42 H new ATOM 0 HB2 LEU A 78 -17.691 14.402 -3.044 1.00 23.33 H new ATOM 0 HB3 LEU A 78 -16.199 14.421 -3.964 1.00 23.33 H new ATOM 0 HG LEU A 78 -16.515 12.236 -3.013 1.00 22.15 H new ATOM 0 HD11 LEU A 78 -14.434 11.991 -1.721 1.00 44.22 H new ATOM 0 HD12 LEU A 78 -14.214 13.052 -3.132 1.00 44.22 H new ATOM 0 HD13 LEU A 78 -14.366 13.756 -1.504 1.00 44.22 H new ATOM 0 HD21 LEU A 78 -16.619 11.867 -0.579 1.00 34.03 H new ATOM 0 HD22 LEU A 78 -16.637 13.628 -0.318 1.00 34.03 H new ATOM 0 HD23 LEU A 78 -17.993 12.839 -1.159 1.00 34.03 H new ATOM 1232 N TYR A 79 -16.344 17.134 -4.079 1.00 44.20 N ATOM 1233 CA TYR A 79 -15.874 18.101 -5.064 1.00 5.44 C ATOM 1234 C TYR A 79 -15.088 19.224 -4.393 1.00 23.34 C ATOM 1235 O TYR A 79 -14.046 19.648 -4.891 1.00 2.41 O ATOM 1236 CB TYR A 79 -17.056 18.684 -5.841 1.00 53.52 C ATOM 1237 CG TYR A 79 -16.683 19.201 -7.213 1.00 53.11 C ATOM 1238 CD1 TYR A 79 -16.144 18.352 -8.172 1.00 11.45 C ATOM 1239 CD2 TYR A 79 -16.868 20.536 -7.549 1.00 50.33 C ATOM 1240 CE1 TYR A 79 -15.801 18.819 -9.427 1.00 74.45 C ATOM 1241 CE2 TYR A 79 -16.530 21.011 -8.801 1.00 72.01 C ATOM 1242 CZ TYR A 79 -15.996 20.149 -9.736 1.00 5.01 C ATOM 1243 OH TYR A 79 -15.656 20.618 -10.984 1.00 43.30 O ATOM 0 H TYR A 79 -17.332 16.895 -4.161 1.00 44.20 H new ATOM 0 HA TYR A 79 -15.212 17.583 -5.758 1.00 5.44 H new ATOM 0 HB2 TYR A 79 -17.824 17.918 -5.947 1.00 53.52 H new ATOM 0 HB3 TYR A 79 -17.495 19.497 -5.263 1.00 53.52 H new ATOM 0 HD1 TYR A 79 -15.991 17.310 -7.933 1.00 11.45 H new ATOM 0 HD2 TYR A 79 -17.283 21.214 -6.818 1.00 50.33 H new ATOM 0 HE1 TYR A 79 -15.383 18.146 -10.161 1.00 74.45 H new ATOM 0 HE2 TYR A 79 -16.683 22.052 -9.047 1.00 72.01 H new ATOM 0 HH TYR A 79 -15.857 21.575 -11.040 1.00 43.30 H new ATOM 1253 N ASN A 80 -15.596 19.698 -3.261 1.00 32.21 N ATOM 1254 CA ASN A 80 -14.942 20.770 -2.520 1.00 14.12 C ATOM 1255 C ASN A 80 -13.547 20.348 -2.070 1.00 53.41 C ATOM 1256 O ASN A 80 -12.543 20.923 -2.496 1.00 63.55 O ATOM 1257 CB ASN A 80 -15.784 21.168 -1.306 1.00 1.01 C ATOM 1258 CG ASN A 80 -16.516 22.479 -1.515 1.00 54.25 C ATOM 1259 OD1 ASN A 80 -16.500 23.355 -0.650 1.00 3.53 O ATOM 1260 ND2 ASN A 80 -17.162 22.620 -2.666 1.00 61.13 N ATOM 0 H ASN A 80 -16.458 19.357 -2.836 1.00 32.21 H new ATOM 0 HA ASN A 80 -14.846 21.629 -3.183 1.00 14.12 H new ATOM 0 HB2 ASN A 80 -16.508 20.381 -1.095 1.00 1.01 H new ATOM 0 HB3 ASN A 80 -15.139 21.251 -0.431 1.00 1.01 H new ATOM 0 HD21 ASN A 80 -17.672 23.481 -2.862 1.00 61.13 H new ATOM 0 HD22 ASN A 80 -17.148 21.867 -3.354 1.00 61.13 H new ATOM 1267 N THR A 81 -13.489 19.340 -1.205 1.00 42.11 N ATOM 1268 CA THR A 81 -12.218 18.841 -0.695 1.00 4.14 C ATOM 1269 C THR A 81 -11.258 18.520 -1.834 1.00 31.22 C ATOM 1270 O THR A 81 -10.131 19.015 -1.866 1.00 31.22 O ATOM 1271 CB THR A 81 -12.416 17.580 0.167 1.00 14.11 C ATOM 1272 OG1 THR A 81 -13.425 17.814 1.154 1.00 63.20 O ATOM 1273 CG2 THR A 81 -11.115 17.182 0.849 1.00 74.32 C ATOM 0 H THR A 81 -14.309 18.853 -0.843 1.00 42.11 H new ATOM 0 HA THR A 81 -11.792 19.631 -0.077 1.00 4.14 H new ATOM 0 HB THR A 81 -12.730 16.766 -0.486 1.00 14.11 H new ATOM 0 HG1 THR A 81 -13.090 17.543 2.034 1.00 63.20 H new ATOM 0 HG21 THR A 81 -11.279 16.289 1.452 1.00 74.32 H new ATOM 0 HG22 THR A 81 -10.357 16.976 0.094 1.00 74.32 H new ATOM 0 HG23 THR A 81 -10.776 17.996 1.490 1.00 74.32 H new ATOM 1281 N ILE A 82 -11.711 17.688 -2.767 1.00 73.14 N ATOM 1282 CA ILE A 82 -10.890 17.303 -3.908 1.00 0.13 C ATOM 1283 C ILE A 82 -10.278 18.525 -4.583 1.00 4.44 C ATOM 1284 O ILE A 82 -9.118 18.505 -4.994 1.00 24.35 O ATOM 1285 CB ILE A 82 -11.708 16.512 -4.947 1.00 41.11 C ATOM 1286 CG1 ILE A 82 -12.298 15.251 -4.311 1.00 22.13 C ATOM 1287 CG2 ILE A 82 -10.839 16.151 -6.142 1.00 54.21 C ATOM 1288 CD1 ILE A 82 -13.514 14.722 -5.037 1.00 3.00 C ATOM 0 H ILE A 82 -12.641 17.269 -2.755 1.00 73.14 H new ATOM 0 HA ILE A 82 -10.093 16.667 -3.523 1.00 0.13 H new ATOM 0 HB ILE A 82 -12.529 17.139 -5.295 1.00 41.11 H new ATOM 0 HG12 ILE A 82 -11.533 14.475 -4.286 1.00 22.13 H new ATOM 0 HG13 ILE A 82 -12.567 15.467 -3.277 1.00 22.13 H new ATOM 0 HG21 ILE A 82 -11.431 15.593 -6.867 1.00 54.21 H new ATOM 0 HG22 ILE A 82 -10.462 17.062 -6.606 1.00 54.21 H new ATOM 0 HG23 ILE A 82 -10.000 15.539 -5.810 1.00 54.21 H new ATOM 0 HD11 ILE A 82 -13.879 13.828 -4.532 1.00 3.00 H new ATOM 0 HD12 ILE A 82 -14.295 15.482 -5.040 1.00 3.00 H new ATOM 0 HD13 ILE A 82 -13.245 14.474 -6.064 1.00 3.00 H new ATOM 1300 N ALA A 83 -11.066 19.590 -4.693 1.00 64.20 N ATOM 1301 CA ALA A 83 -10.601 20.823 -5.316 1.00 44.44 C ATOM 1302 C ALA A 83 -9.314 21.315 -4.663 1.00 51.21 C ATOM 1303 O ALA A 83 -8.401 21.785 -5.343 1.00 50.11 O ATOM 1304 CB ALA A 83 -11.679 21.895 -5.234 1.00 11.10 C ATOM 0 H ALA A 83 -12.029 19.623 -4.359 1.00 64.20 H new ATOM 0 HA ALA A 83 -10.390 20.614 -6.365 1.00 44.44 H new ATOM 0 HB1 ALA A 83 -11.318 22.810 -5.703 1.00 11.10 H new ATOM 0 HB2 ALA A 83 -12.575 21.551 -5.751 1.00 11.10 H new ATOM 0 HB3 ALA A 83 -11.917 22.092 -4.189 1.00 11.10 H new ATOM 1310 N VAL A 84 -9.246 21.206 -3.340 1.00 23.33 N ATOM 1311 CA VAL A 84 -8.069 21.639 -2.596 1.00 63.21 C ATOM 1312 C VAL A 84 -6.958 20.598 -2.669 1.00 5.04 C ATOM 1313 O VAL A 84 -5.821 20.911 -3.023 1.00 63.02 O ATOM 1314 CB VAL A 84 -8.408 21.908 -1.118 1.00 60.14 C ATOM 1315 CG1 VAL A 84 -7.159 22.307 -0.347 1.00 71.21 C ATOM 1316 CG2 VAL A 84 -9.481 22.981 -1.004 1.00 55.22 C ATOM 0 H VAL A 84 -9.993 20.821 -2.761 1.00 23.33 H new ATOM 0 HA VAL A 84 -7.726 22.565 -3.058 1.00 63.21 H new ATOM 0 HB VAL A 84 -8.798 20.989 -0.680 1.00 60.14 H new ATOM 0 HG11 VAL A 84 -7.419 22.493 0.695 1.00 71.21 H new ATOM 0 HG12 VAL A 84 -6.426 21.502 -0.400 1.00 71.21 H new ATOM 0 HG13 VAL A 84 -6.736 23.212 -0.783 1.00 71.21 H new ATOM 0 HG21 VAL A 84 -9.708 23.158 0.047 1.00 55.22 H new ATOM 0 HG22 VAL A 84 -9.122 23.904 -1.458 1.00 55.22 H new ATOM 0 HG23 VAL A 84 -10.383 22.650 -1.519 1.00 55.22 H new ATOM 1326 N LEU A 85 -7.294 19.356 -2.335 1.00 43.44 N ATOM 1327 CA LEU A 85 -6.325 18.267 -2.363 1.00 11.32 C ATOM 1328 C LEU A 85 -5.645 18.179 -3.726 1.00 45.41 C ATOM 1329 O LEU A 85 -4.445 17.922 -3.816 1.00 20.10 O ATOM 1330 CB LEU A 85 -7.010 16.939 -2.035 1.00 4.13 C ATOM 1331 CG LEU A 85 -6.142 15.889 -1.341 1.00 4.24 C ATOM 1332 CD1 LEU A 85 -6.672 15.597 0.055 1.00 2.15 C ATOM 1333 CD2 LEU A 85 -6.084 14.614 -2.169 1.00 15.13 C ATOM 0 H LEU A 85 -8.231 19.079 -2.042 1.00 43.44 H new ATOM 0 HA LEU A 85 -5.564 18.471 -1.610 1.00 11.32 H new ATOM 0 HB2 LEU A 85 -7.872 17.145 -1.401 1.00 4.13 H new ATOM 0 HB3 LEU A 85 -7.391 16.511 -2.962 1.00 4.13 H new ATOM 0 HG LEU A 85 -5.131 16.284 -1.248 1.00 4.24 H new ATOM 0 HD11 LEU A 85 -6.042 14.848 0.534 1.00 2.15 H new ATOM 0 HD12 LEU A 85 -6.661 16.512 0.647 1.00 2.15 H new ATOM 0 HD13 LEU A 85 -7.693 15.222 -0.015 1.00 2.15 H new ATOM 0 HD21 LEU A 85 -5.462 13.878 -1.660 1.00 15.13 H new ATOM 0 HD22 LEU A 85 -7.091 14.215 -2.293 1.00 15.13 H new ATOM 0 HD23 LEU A 85 -5.658 14.835 -3.148 1.00 15.13 H new ATOM 1345 N TYR A 86 -6.420 18.396 -4.783 1.00 64.03 N ATOM 1346 CA TYR A 86 -5.893 18.340 -6.141 1.00 54.14 C ATOM 1347 C TYR A 86 -4.949 19.509 -6.407 1.00 31.21 C ATOM 1348 O TYR A 86 -3.853 19.328 -6.940 1.00 60.04 O ATOM 1349 CB TYR A 86 -7.038 18.354 -7.156 1.00 71.23 C ATOM 1350 CG TYR A 86 -6.578 18.530 -8.585 1.00 34.44 C ATOM 1351 CD1 TYR A 86 -6.173 17.440 -9.345 1.00 71.10 C ATOM 1352 CD2 TYR A 86 -6.549 19.788 -9.176 1.00 32.54 C ATOM 1353 CE1 TYR A 86 -5.751 17.596 -10.651 1.00 32.00 C ATOM 1354 CE2 TYR A 86 -6.130 19.953 -10.483 1.00 63.14 C ATOM 1355 CZ TYR A 86 -5.732 18.855 -11.215 1.00 20.25 C ATOM 1356 OH TYR A 86 -5.314 19.014 -12.517 1.00 54.42 O ATOM 0 H TYR A 86 -7.415 18.612 -4.725 1.00 64.03 H new ATOM 0 HA TYR A 86 -5.332 17.411 -6.248 1.00 54.14 H new ATOM 0 HB2 TYR A 86 -7.596 17.421 -7.075 1.00 71.23 H new ATOM 0 HB3 TYR A 86 -7.727 19.160 -6.903 1.00 71.23 H new ATOM 0 HD1 TYR A 86 -6.188 16.453 -8.907 1.00 71.10 H new ATOM 0 HD2 TYR A 86 -6.859 20.651 -8.605 1.00 32.54 H new ATOM 0 HE1 TYR A 86 -5.438 16.738 -11.227 1.00 32.00 H new ATOM 0 HE2 TYR A 86 -6.115 20.937 -10.928 1.00 63.14 H new ATOM 0 HH TYR A 86 -5.361 19.962 -12.762 1.00 54.42 H new ATOM 1366 N CYS A 87 -5.382 20.708 -6.032 1.00 32.53 N ATOM 1367 CA CYS A 87 -4.576 21.908 -6.229 1.00 4.03 C ATOM 1368 C CYS A 87 -3.215 21.766 -5.558 1.00 61.41 C ATOM 1369 O CYS A 87 -2.187 22.123 -6.133 1.00 30.14 O ATOM 1370 CB CYS A 87 -5.306 23.133 -5.677 1.00 40.44 C ATOM 1371 SG CYS A 87 -6.553 23.816 -6.793 1.00 22.23 S ATOM 0 H CYS A 87 -6.286 20.875 -5.590 1.00 32.53 H new ATOM 0 HA CYS A 87 -4.420 22.039 -7.300 1.00 4.03 H new ATOM 0 HB2 CYS A 87 -5.785 22.863 -4.736 1.00 40.44 H new ATOM 0 HB3 CYS A 87 -4.573 23.908 -5.451 1.00 40.44 H new ATOM 0 HG CYS A 87 -7.688 23.214 -6.596 1.00 22.23 H new ATOM 1377 N VAL A 88 -3.215 21.242 -4.336 1.00 20.03 N ATOM 1378 CA VAL A 88 -1.980 21.052 -3.585 1.00 31.24 C ATOM 1379 C VAL A 88 -0.957 20.268 -4.399 1.00 64.41 C ATOM 1380 O VAL A 88 0.222 20.623 -4.446 1.00 45.34 O ATOM 1381 CB VAL A 88 -2.237 20.316 -2.257 1.00 13.11 C ATOM 1382 CG1 VAL A 88 -0.943 20.163 -1.472 1.00 3.31 C ATOM 1383 CG2 VAL A 88 -3.286 21.050 -1.436 1.00 22.11 C ATOM 0 H VAL A 88 -4.057 20.942 -3.845 1.00 20.03 H new ATOM 0 HA VAL A 88 -1.585 22.045 -3.370 1.00 31.24 H new ATOM 0 HB VAL A 88 -2.617 19.319 -2.481 1.00 13.11 H new ATOM 0 HG11 VAL A 88 -1.144 19.641 -0.537 1.00 3.31 H new ATOM 0 HG12 VAL A 88 -0.226 19.590 -2.060 1.00 3.31 H new ATOM 0 HG13 VAL A 88 -0.530 21.148 -1.256 1.00 3.31 H new ATOM 0 HG21 VAL A 88 -3.455 20.516 -0.501 1.00 22.11 H new ATOM 0 HG22 VAL A 88 -2.937 22.060 -1.219 1.00 22.11 H new ATOM 0 HG23 VAL A 88 -4.218 21.101 -1.999 1.00 22.11 H new ATOM 1393 N HIS A 89 -1.415 19.197 -5.041 1.00 62.20 N ATOM 1394 CA HIS A 89 -0.540 18.361 -5.856 1.00 61.34 C ATOM 1395 C HIS A 89 -0.039 19.127 -7.077 1.00 64.13 C ATOM 1396 O HIS A 89 1.129 18.946 -7.418 1.00 71.34 O ATOM 1397 CB HIS A 89 -1.276 17.096 -6.300 1.00 54.54 C ATOM 1398 CG HIS A 89 -1.685 16.211 -5.162 1.00 4.15 C ATOM 1399 ND1 HIS A 89 -0.889 15.984 -4.061 1.00 40.02 N ATOM 1400 CD2 HIS A 89 -2.817 15.496 -4.960 1.00 14.12 C ATOM 1401 CE1 HIS A 89 -1.512 15.168 -3.231 1.00 33.50 C ATOM 1402 NE2 HIS A 89 -2.685 14.857 -3.753 1.00 11.13 N ATOM 0 H HIS A 89 -2.387 18.888 -5.012 1.00 62.20 H new ATOM 0 HA HIS A 89 0.320 18.078 -5.249 1.00 61.34 H new ATOM 0 HB2 HIS A 89 -2.163 17.381 -6.865 1.00 54.54 H new ATOM 0 HB3 HIS A 89 -0.635 16.531 -6.977 1.00 54.54 H new ATOM 0 HD1 HIS A 89 0.037 16.384 -3.910 1.00 40.02 H new ATOM 0 HD2 HIS A 89 -3.666 15.439 -5.625 1.00 14.12 H new ATOM 0 HE1 HIS A 89 -1.128 14.815 -2.286 1.00 33.50 H new ATOM 1411 N GLN A 90 -0.862 19.949 -7.720 1.00 65.31 N ATOM 1412 CA GLN A 90 -0.428 20.701 -8.891 1.00 1.21 C ATOM 1413 C GLN A 90 0.513 21.833 -8.493 1.00 0.05 C ATOM 1414 O GLN A 90 0.932 22.628 -9.334 1.00 52.41 O ATOM 1415 CB GLN A 90 -1.638 21.266 -9.637 1.00 24.24 C ATOM 1416 CG GLN A 90 -1.287 21.902 -10.973 1.00 52.31 C ATOM 1417 CD GLN A 90 -2.319 21.617 -12.045 1.00 4.04 C ATOM 1418 OE1 GLN A 90 -3.399 22.209 -12.058 1.00 50.23 O ATOM 1419 NE2 GLN A 90 -1.993 20.705 -12.954 1.00 63.40 N ATOM 0 H GLN A 90 -1.832 20.111 -7.450 1.00 65.31 H new ATOM 0 HA GLN A 90 0.111 20.020 -9.550 1.00 1.21 H new ATOM 0 HB2 GLN A 90 -2.358 20.465 -9.803 1.00 24.24 H new ATOM 0 HB3 GLN A 90 -2.128 22.009 -9.008 1.00 24.24 H new ATOM 0 HG2 GLN A 90 -1.192 22.980 -10.844 1.00 52.31 H new ATOM 0 HG3 GLN A 90 -0.316 21.533 -11.302 1.00 52.31 H new ATOM 0 HE21 GLN A 90 -1.087 20.238 -12.906 1.00 63.40 H new ATOM 0 HE22 GLN A 90 -2.648 20.471 -13.700 1.00 63.40 H new ATOM 1428 N ARG A 91 0.840 21.899 -7.208 1.00 45.54 N ATOM 1429 CA ARG A 91 1.730 22.936 -6.698 1.00 43.33 C ATOM 1430 C ARG A 91 0.950 24.203 -6.357 1.00 51.21 C ATOM 1431 O ARG A 91 1.530 25.208 -5.946 1.00 51.41 O ATOM 1432 CB ARG A 91 2.817 23.255 -7.726 1.00 60.24 C ATOM 1433 CG ARG A 91 4.127 23.711 -7.105 1.00 13.51 C ATOM 1434 CD ARG A 91 4.396 25.180 -7.390 1.00 54.45 C ATOM 1435 NE ARG A 91 5.781 25.548 -7.107 1.00 44.21 N ATOM 1436 CZ ARG A 91 6.348 26.668 -7.543 1.00 24.41 C ATOM 1437 NH1 ARG A 91 5.652 27.524 -8.279 1.00 53.03 N ATOM 1438 NH2 ARG A 91 7.613 26.932 -7.244 1.00 4.50 N ATOM 0 H ARG A 91 0.503 21.247 -6.500 1.00 45.54 H new ATOM 0 HA ARG A 91 2.198 22.562 -5.787 1.00 43.33 H new ATOM 0 HB2 ARG A 91 3.002 22.369 -8.334 1.00 60.24 H new ATOM 0 HB3 ARG A 91 2.453 24.032 -8.398 1.00 60.24 H new ATOM 0 HG2 ARG A 91 4.097 23.548 -6.028 1.00 13.51 H new ATOM 0 HG3 ARG A 91 4.946 23.107 -7.496 1.00 13.51 H new ATOM 0 HD2 ARG A 91 4.170 25.394 -8.435 1.00 54.45 H new ATOM 0 HD3 ARG A 91 3.727 25.795 -6.787 1.00 54.45 H new ATOM 0 HE ARG A 91 6.344 24.910 -6.544 1.00 44.21 H new ATOM 0 HH11 ARG A 91 4.679 27.323 -8.512 1.00 53.03 H new ATOM 0 HH12 ARG A 91 6.089 28.383 -8.612 1.00 53.03 H new ATOM 0 HH21 ARG A 91 8.151 26.275 -6.679 1.00 4.50 H new ATOM 0 HH22 ARG A 91 8.047 27.792 -7.579 1.00 4.50 H new ATOM 1452 N ILE A 92 -0.366 24.147 -6.530 1.00 61.42 N ATOM 1453 CA ILE A 92 -1.224 25.289 -6.240 1.00 62.13 C ATOM 1454 C ILE A 92 -1.451 25.438 -4.740 1.00 44.11 C ATOM 1455 O ILE A 92 -1.810 24.479 -4.057 1.00 62.41 O ATOM 1456 CB ILE A 92 -2.587 25.162 -6.944 1.00 21.32 C ATOM 1457 CG1 ILE A 92 -2.420 25.312 -8.458 1.00 34.12 C ATOM 1458 CG2 ILE A 92 -3.559 26.202 -6.408 1.00 23.44 C ATOM 1459 CD1 ILE A 92 -3.440 24.532 -9.259 1.00 14.11 C ATOM 0 H ILE A 92 -0.862 23.323 -6.870 1.00 61.42 H new ATOM 0 HA ILE A 92 -0.711 26.174 -6.617 1.00 62.13 H new ATOM 0 HB ILE A 92 -2.994 24.172 -6.738 1.00 21.32 H new ATOM 0 HG12 ILE A 92 -2.494 26.367 -8.721 1.00 34.12 H new ATOM 0 HG13 ILE A 92 -1.420 24.982 -8.739 1.00 34.12 H new ATOM 0 HG21 ILE A 92 -4.518 26.099 -6.916 1.00 23.44 H new ATOM 0 HG22 ILE A 92 -3.697 26.053 -5.337 1.00 23.44 H new ATOM 0 HG23 ILE A 92 -3.159 27.200 -6.587 1.00 23.44 H new ATOM 0 HD11 ILE A 92 -3.261 24.685 -10.323 1.00 14.11 H new ATOM 0 HD12 ILE A 92 -3.352 23.471 -9.025 1.00 14.11 H new ATOM 0 HD13 ILE A 92 -4.442 24.877 -9.006 1.00 14.11 H new ATOM 1471 N ASP A 93 -1.241 26.648 -4.233 1.00 22.12 N ATOM 1472 CA ASP A 93 -1.427 26.925 -2.813 1.00 34.04 C ATOM 1473 C ASP A 93 -2.659 27.795 -2.585 1.00 5.12 C ATOM 1474 O ASP A 93 -2.604 28.793 -1.868 1.00 12.41 O ATOM 1475 CB ASP A 93 -0.187 27.615 -2.241 1.00 41.41 C ATOM 1476 CG ASP A 93 1.044 26.731 -2.293 1.00 43.23 C ATOM 1477 OD1 ASP A 93 0.885 25.492 -2.285 1.00 55.22 O ATOM 1478 OD2 ASP A 93 2.164 27.279 -2.340 1.00 33.35 O ATOM 0 H ASP A 93 -0.942 27.453 -4.784 1.00 22.12 H new ATOM 0 HA ASP A 93 -1.576 25.975 -2.299 1.00 34.04 H new ATOM 0 HB2 ASP A 93 0.004 28.532 -2.798 1.00 41.41 H new ATOM 0 HB3 ASP A 93 -0.380 27.904 -1.208 1.00 41.41 H new ATOM 1483 N VAL A 94 -3.771 27.409 -3.202 1.00 23.12 N ATOM 1484 CA VAL A 94 -5.018 28.153 -3.067 1.00 32.13 C ATOM 1485 C VAL A 94 -5.155 28.746 -1.669 1.00 64.21 C ATOM 1486 O VAL A 94 -4.940 28.062 -0.669 1.00 63.04 O ATOM 1487 CB VAL A 94 -6.240 27.259 -3.356 1.00 15.22 C ATOM 1488 CG1 VAL A 94 -6.427 27.079 -4.854 1.00 32.32 C ATOM 1489 CG2 VAL A 94 -6.090 25.913 -2.663 1.00 40.05 C ATOM 0 H VAL A 94 -3.834 26.585 -3.800 1.00 23.12 H new ATOM 0 HA VAL A 94 -4.986 28.960 -3.799 1.00 32.13 H new ATOM 0 HB VAL A 94 -7.129 27.749 -2.960 1.00 15.22 H new ATOM 0 HG11 VAL A 94 -7.294 26.445 -5.039 1.00 32.32 H new ATOM 0 HG12 VAL A 94 -6.582 28.052 -5.321 1.00 32.32 H new ATOM 0 HG13 VAL A 94 -5.539 26.611 -5.278 1.00 32.32 H new ATOM 0 HG21 VAL A 94 -6.961 25.294 -2.877 1.00 40.05 H new ATOM 0 HG22 VAL A 94 -5.192 25.414 -3.028 1.00 40.05 H new ATOM 0 HG23 VAL A 94 -6.009 26.065 -1.587 1.00 40.05 H new ATOM 1499 N LYS A 95 -5.516 30.023 -1.607 1.00 71.01 N ATOM 1500 CA LYS A 95 -5.684 30.710 -0.332 1.00 4.31 C ATOM 1501 C LYS A 95 -6.857 30.127 0.449 1.00 63.13 C ATOM 1502 O LYS A 95 -6.896 30.202 1.677 1.00 71.11 O ATOM 1503 CB LYS A 95 -5.904 32.207 -0.562 1.00 65.32 C ATOM 1504 CG LYS A 95 -5.539 33.065 0.637 1.00 13.33 C ATOM 1505 CD LYS A 95 -4.993 34.418 0.209 1.00 70.21 C ATOM 1506 CE LYS A 95 -4.764 35.330 1.404 1.00 20.12 C ATOM 1507 NZ LYS A 95 -3.326 35.398 1.783 1.00 33.20 N ATOM 0 H LYS A 95 -5.698 30.604 -2.426 1.00 71.01 H new ATOM 0 HA LYS A 95 -4.775 30.568 0.252 1.00 4.31 H new ATOM 0 HB2 LYS A 95 -5.312 32.525 -1.420 1.00 65.32 H new ATOM 0 HB3 LYS A 95 -6.950 32.378 -0.816 1.00 65.32 H new ATOM 0 HG2 LYS A 95 -6.419 33.209 1.264 1.00 13.33 H new ATOM 0 HG3 LYS A 95 -4.796 32.547 1.244 1.00 13.33 H new ATOM 0 HD2 LYS A 95 -4.055 34.279 -0.329 1.00 70.21 H new ATOM 0 HD3 LYS A 95 -5.690 34.891 -0.482 1.00 70.21 H new ATOM 0 HE2 LYS A 95 -5.126 36.331 1.171 1.00 20.12 H new ATOM 0 HE3 LYS A 95 -5.346 34.970 2.252 1.00 20.12 H new ATOM 0 HZ1 LYS A 95 -3.212 36.030 2.601 1.00 33.20 H new ATOM 0 HZ2 LYS A 95 -2.987 34.446 2.030 1.00 33.20 H new ATOM 0 HZ3 LYS A 95 -2.773 35.766 0.983 1.00 33.20 H new ATOM 1521 N ASP A 96 -7.811 29.546 -0.271 1.00 70.45 N ATOM 1522 CA ASP A 96 -8.983 28.947 0.356 1.00 63.12 C ATOM 1523 C ASP A 96 -9.698 28.008 -0.611 1.00 32.05 C ATOM 1524 O ASP A 96 -9.427 28.013 -1.813 1.00 1.41 O ATOM 1525 CB ASP A 96 -9.946 30.036 0.832 1.00 41.34 C ATOM 1526 CG ASP A 96 -9.951 31.244 -0.083 1.00 11.52 C ATOM 1527 OD1 ASP A 96 -10.315 31.090 -1.268 1.00 40.05 O ATOM 1528 OD2 ASP A 96 -9.592 32.345 0.386 1.00 4.32 O ATOM 0 H ASP A 96 -7.795 29.477 -1.289 1.00 70.45 H new ATOM 0 HA ASP A 96 -8.647 28.367 1.216 1.00 63.12 H new ATOM 0 HB2 ASP A 96 -10.954 29.625 0.892 1.00 41.34 H new ATOM 0 HB3 ASP A 96 -9.668 30.348 1.839 1.00 41.34 H new ATOM 1533 N THR A 97 -10.611 27.201 -0.081 1.00 41.13 N ATOM 1534 CA THR A 97 -11.362 26.255 -0.897 1.00 1.10 C ATOM 1535 C THR A 97 -12.154 26.974 -1.982 1.00 4.42 C ATOM 1536 O THR A 97 -12.647 26.350 -2.923 1.00 33.21 O ATOM 1537 CB THR A 97 -12.330 25.419 -0.039 1.00 73.42 C ATOM 1538 OG1 THR A 97 -11.624 24.819 1.052 1.00 72.44 O ATOM 1539 CG2 THR A 97 -12.996 24.336 -0.875 1.00 50.15 C ATOM 0 H THR A 97 -10.849 27.183 0.911 1.00 41.13 H new ATOM 0 HA THR A 97 -10.634 25.590 -1.362 1.00 1.10 H new ATOM 0 HB THR A 97 -13.102 26.083 0.350 1.00 73.42 H new ATOM 0 HG1 THR A 97 -11.714 23.844 1.004 1.00 72.44 H new ATOM 0 HG21 THR A 97 -13.675 23.758 -0.248 1.00 50.15 H new ATOM 0 HG22 THR A 97 -13.557 24.797 -1.688 1.00 50.15 H new ATOM 0 HG23 THR A 97 -12.234 23.676 -1.289 1.00 50.15 H new ATOM 1547 N LYS A 98 -12.274 28.291 -1.847 1.00 24.43 N ATOM 1548 CA LYS A 98 -13.006 29.096 -2.818 1.00 53.22 C ATOM 1549 C LYS A 98 -12.181 29.304 -4.085 1.00 64.32 C ATOM 1550 O LYS A 98 -12.624 28.973 -5.184 1.00 35.21 O ATOM 1551 CB LYS A 98 -13.377 30.451 -2.211 1.00 64.11 C ATOM 1552 CG LYS A 98 -14.202 31.327 -3.138 1.00 72.11 C ATOM 1553 CD LYS A 98 -15.665 31.354 -2.725 1.00 33.33 C ATOM 1554 CE LYS A 98 -16.368 32.597 -3.246 1.00 13.01 C ATOM 1555 NZ LYS A 98 -16.607 33.593 -2.166 1.00 11.31 N ATOM 0 H LYS A 98 -11.874 28.823 -1.074 1.00 24.43 H new ATOM 0 HA LYS A 98 -13.918 28.561 -3.083 1.00 53.22 H new ATOM 0 HB2 LYS A 98 -13.934 30.286 -1.289 1.00 64.11 H new ATOM 0 HB3 LYS A 98 -12.464 30.981 -1.941 1.00 64.11 H new ATOM 0 HG2 LYS A 98 -13.803 32.341 -3.133 1.00 72.11 H new ATOM 0 HG3 LYS A 98 -14.118 30.957 -4.160 1.00 72.11 H new ATOM 0 HD2 LYS A 98 -16.168 30.464 -3.104 1.00 33.33 H new ATOM 0 HD3 LYS A 98 -15.738 31.322 -1.638 1.00 33.33 H new ATOM 0 HE2 LYS A 98 -15.766 33.052 -4.033 1.00 13.01 H new ATOM 0 HE3 LYS A 98 -17.320 32.314 -3.696 1.00 13.01 H new ATOM 0 HZ1 LYS A 98 -17.088 34.426 -2.562 1.00 11.31 H new ATOM 0 HZ2 LYS A 98 -17.203 33.168 -1.427 1.00 11.31 H new ATOM 0 HZ3 LYS A 98 -15.697 33.882 -1.753 1.00 11.31 H new ATOM 1569 N GLU A 99 -10.982 29.852 -3.920 1.00 13.42 N ATOM 1570 CA GLU A 99 -10.096 30.102 -5.052 1.00 54.21 C ATOM 1571 C GLU A 99 -9.719 28.798 -5.748 1.00 64.13 C ATOM 1572 O GLU A 99 -9.282 28.799 -6.898 1.00 52.23 O ATOM 1573 CB GLU A 99 -8.832 30.828 -4.587 1.00 12.30 C ATOM 1574 CG GLU A 99 -8.850 32.322 -4.864 1.00 2.35 C ATOM 1575 CD GLU A 99 -8.571 32.649 -6.318 1.00 12.43 C ATOM 1576 OE1 GLU A 99 -9.359 32.216 -7.185 1.00 45.23 O ATOM 1577 OE2 GLU A 99 -7.566 33.338 -6.590 1.00 70.04 O ATOM 0 H GLU A 99 -10.602 30.131 -3.016 1.00 13.42 H new ATOM 0 HA GLU A 99 -10.628 30.732 -5.764 1.00 54.21 H new ATOM 0 HB2 GLU A 99 -8.704 30.667 -3.517 1.00 12.30 H new ATOM 0 HB3 GLU A 99 -7.967 30.386 -5.081 1.00 12.30 H new ATOM 0 HG2 GLU A 99 -9.822 32.728 -4.584 1.00 2.35 H new ATOM 0 HG3 GLU A 99 -8.107 32.813 -4.236 1.00 2.35 H new ATOM 1584 N ALA A 100 -9.893 27.685 -5.040 1.00 11.34 N ATOM 1585 CA ALA A 100 -9.573 26.374 -5.589 1.00 25.20 C ATOM 1586 C ALA A 100 -10.620 25.934 -6.607 1.00 3.24 C ATOM 1587 O ALA A 100 -10.285 25.497 -7.709 1.00 32.41 O ATOM 1588 CB ALA A 100 -9.458 25.348 -4.472 1.00 72.14 C ATOM 0 H ALA A 100 -10.254 27.667 -4.086 1.00 11.34 H new ATOM 0 HA ALA A 100 -8.614 26.447 -6.101 1.00 25.20 H new ATOM 0 HB1 ALA A 100 -9.219 24.373 -4.897 1.00 72.14 H new ATOM 0 HB2 ALA A 100 -8.668 25.647 -3.783 1.00 72.14 H new ATOM 0 HB3 ALA A 100 -10.405 25.287 -3.935 1.00 72.14 H new ATOM 1594 N LEU A 101 -11.889 26.053 -6.232 1.00 10.41 N ATOM 1595 CA LEU A 101 -12.987 25.668 -7.112 1.00 32.12 C ATOM 1596 C LEU A 101 -12.979 26.503 -8.389 1.00 64.12 C ATOM 1597 O LEU A 101 -13.299 26.006 -9.469 1.00 2.24 O ATOM 1598 CB LEU A 101 -14.326 25.829 -6.391 1.00 33.13 C ATOM 1599 CG LEU A 101 -15.327 24.687 -6.572 1.00 11.40 C ATOM 1600 CD1 LEU A 101 -15.678 24.512 -8.041 1.00 32.31 C ATOM 1601 CD2 LEU A 101 -14.770 23.394 -5.996 1.00 22.53 C ATOM 0 H LEU A 101 -12.183 26.413 -5.324 1.00 10.41 H new ATOM 0 HA LEU A 101 -12.853 24.621 -7.384 1.00 32.12 H new ATOM 0 HB2 LEU A 101 -14.130 25.948 -5.325 1.00 33.13 H new ATOM 0 HB3 LEU A 101 -14.792 26.752 -6.735 1.00 33.13 H new ATOM 0 HG LEU A 101 -16.239 24.939 -6.030 1.00 11.40 H new ATOM 0 HD11 LEU A 101 -16.391 23.695 -8.150 1.00 32.31 H new ATOM 0 HD12 LEU A 101 -16.120 25.433 -8.422 1.00 32.31 H new ATOM 0 HD13 LEU A 101 -14.775 24.283 -8.606 1.00 32.31 H new ATOM 0 HD21 LEU A 101 -15.495 22.592 -6.134 1.00 22.53 H new ATOM 0 HD22 LEU A 101 -13.843 23.137 -6.509 1.00 22.53 H new ATOM 0 HD23 LEU A 101 -14.572 23.525 -4.932 1.00 22.53 H new ATOM 1613 N ASP A 102 -12.611 27.772 -8.257 1.00 5.41 N ATOM 1614 CA ASP A 102 -12.559 28.676 -9.400 1.00 2.33 C ATOM 1615 C ASP A 102 -11.531 28.203 -10.422 1.00 75.54 C ATOM 1616 O ASP A 102 -11.728 28.341 -11.629 1.00 1.44 O ATOM 1617 CB ASP A 102 -12.224 30.096 -8.941 1.00 73.25 C ATOM 1618 CG ASP A 102 -12.701 31.150 -9.920 1.00 42.42 C ATOM 1619 OD1 ASP A 102 -13.715 30.906 -10.607 1.00 63.20 O ATOM 1620 OD2 ASP A 102 -12.062 32.219 -9.999 1.00 53.20 O ATOM 0 H ASP A 102 -12.344 28.198 -7.370 1.00 5.41 H new ATOM 0 HA ASP A 102 -13.541 28.678 -9.874 1.00 2.33 H new ATOM 0 HB2 ASP A 102 -12.679 30.277 -7.967 1.00 73.25 H new ATOM 0 HB3 ASP A 102 -11.146 30.187 -8.811 1.00 73.25 H new ATOM 1625 N LYS A 103 -10.430 27.642 -9.929 1.00 3.32 N ATOM 1626 CA LYS A 103 -9.369 27.147 -10.798 1.00 42.24 C ATOM 1627 C LYS A 103 -9.811 25.885 -11.531 1.00 2.22 C ATOM 1628 O LYS A 103 -9.307 25.576 -12.612 1.00 64.44 O ATOM 1629 CB LYS A 103 -8.107 26.859 -9.981 1.00 24.34 C ATOM 1630 CG LYS A 103 -7.406 28.111 -9.483 1.00 2.41 C ATOM 1631 CD LYS A 103 -6.961 28.996 -10.635 1.00 41.13 C ATOM 1632 CE LYS A 103 -5.589 29.598 -10.375 1.00 12.43 C ATOM 1633 NZ LYS A 103 -5.566 30.414 -9.130 1.00 73.24 N ATOM 0 H LYS A 103 -10.250 27.519 -8.932 1.00 3.32 H new ATOM 0 HA LYS A 103 -9.149 27.917 -11.537 1.00 42.24 H new ATOM 0 HB2 LYS A 103 -8.372 26.237 -9.126 1.00 24.34 H new ATOM 0 HB3 LYS A 103 -7.412 26.282 -10.592 1.00 24.34 H new ATOM 0 HG2 LYS A 103 -8.077 28.670 -8.832 1.00 2.41 H new ATOM 0 HG3 LYS A 103 -6.540 27.830 -8.883 1.00 2.41 H new ATOM 0 HD2 LYS A 103 -6.935 28.412 -11.555 1.00 41.13 H new ATOM 0 HD3 LYS A 103 -7.688 29.794 -10.784 1.00 41.13 H new ATOM 0 HE2 LYS A 103 -4.851 28.799 -10.299 1.00 12.43 H new ATOM 0 HE3 LYS A 103 -5.299 30.220 -11.222 1.00 12.43 H new ATOM 0 HZ1 LYS A 103 -4.657 30.915 -9.060 1.00 73.24 H new ATOM 0 HZ2 LYS A 103 -6.342 31.106 -9.154 1.00 73.24 H new ATOM 0 HZ3 LYS A 103 -5.683 29.792 -8.305 1.00 73.24 H new ATOM 1647 N ILE A 104 -10.755 25.162 -10.939 1.00 23.12 N ATOM 1648 CA ILE A 104 -11.267 23.935 -11.539 1.00 54.52 C ATOM 1649 C ILE A 104 -12.158 24.240 -12.738 1.00 64.40 C ATOM 1650 O ILE A 104 -12.220 23.464 -13.691 1.00 74.11 O ATOM 1651 CB ILE A 104 -12.064 23.100 -10.520 1.00 74.34 C ATOM 1652 CG1 ILE A 104 -11.171 22.706 -9.342 1.00 62.23 C ATOM 1653 CG2 ILE A 104 -12.645 21.863 -11.188 1.00 24.14 C ATOM 1654 CD1 ILE A 104 -9.997 21.838 -9.737 1.00 51.54 C ATOM 0 H ILE A 104 -11.181 25.404 -10.045 1.00 23.12 H new ATOM 0 HA ILE A 104 -10.402 23.360 -11.869 1.00 54.52 H new ATOM 0 HB ILE A 104 -12.888 23.705 -10.141 1.00 74.34 H new ATOM 0 HG12 ILE A 104 -10.798 23.610 -8.861 1.00 62.23 H new ATOM 0 HG13 ILE A 104 -11.772 22.176 -8.603 1.00 62.23 H new ATOM 0 HG21 ILE A 104 -13.206 21.283 -10.455 1.00 24.14 H new ATOM 0 HG22 ILE A 104 -13.310 22.165 -11.997 1.00 24.14 H new ATOM 0 HG23 ILE A 104 -11.836 21.254 -11.591 1.00 24.14 H new ATOM 0 HD11 ILE A 104 -9.408 21.598 -8.852 1.00 51.54 H new ATOM 0 HD12 ILE A 104 -10.362 20.917 -10.191 1.00 51.54 H new ATOM 0 HD13 ILE A 104 -9.374 22.373 -10.453 1.00 51.54 H new ATOM 1666 N GLU A 105 -12.847 25.376 -12.683 1.00 2.15 N ATOM 1667 CA GLU A 105 -13.735 25.783 -13.767 1.00 52.34 C ATOM 1668 C GLU A 105 -12.962 26.528 -14.851 1.00 3.50 C ATOM 1669 O GLU A 105 -13.093 26.228 -16.038 1.00 41.35 O ATOM 1670 CB GLU A 105 -14.861 26.668 -13.227 1.00 22.34 C ATOM 1671 CG GLU A 105 -16.191 26.454 -13.929 1.00 21.32 C ATOM 1672 CD GLU A 105 -16.592 27.634 -14.793 1.00 53.12 C ATOM 1673 OE1 GLU A 105 -16.331 28.785 -14.385 1.00 31.21 O ATOM 1674 OE2 GLU A 105 -17.165 27.405 -15.879 1.00 50.23 O ATOM 0 H GLU A 105 -12.808 26.030 -11.901 1.00 2.15 H new ATOM 0 HA GLU A 105 -14.168 24.884 -14.206 1.00 52.34 H new ATOM 0 HB2 GLU A 105 -14.986 26.473 -12.162 1.00 22.34 H new ATOM 0 HB3 GLU A 105 -14.570 27.714 -13.328 1.00 22.34 H new ATOM 0 HG2 GLU A 105 -16.131 25.559 -14.548 1.00 21.32 H new ATOM 0 HG3 GLU A 105 -16.966 26.274 -13.184 1.00 21.32 H new ATOM 1681 N GLU A 106 -12.160 27.503 -14.435 1.00 74.25 N ATOM 1682 CA GLU A 106 -11.368 28.292 -15.370 1.00 10.04 C ATOM 1683 C GLU A 106 -10.537 27.389 -16.278 1.00 75.54 C ATOM 1684 O GLU A 106 -10.313 27.703 -17.446 1.00 2.22 O ATOM 1685 CB GLU A 106 -10.451 29.255 -14.613 1.00 64.35 C ATOM 1686 CG GLU A 106 -9.509 30.034 -15.514 1.00 10.54 C ATOM 1687 CD GLU A 106 -8.929 31.259 -14.833 1.00 64.30 C ATOM 1688 OE1 GLU A 106 -7.937 31.109 -14.089 1.00 31.10 O ATOM 1689 OE2 GLU A 106 -9.467 32.366 -15.042 1.00 13.03 O ATOM 0 H GLU A 106 -12.042 27.765 -13.456 1.00 74.25 H new ATOM 0 HA GLU A 106 -12.055 28.868 -15.990 1.00 10.04 H new ATOM 0 HB2 GLU A 106 -11.063 29.958 -14.048 1.00 64.35 H new ATOM 0 HB3 GLU A 106 -9.864 28.690 -13.889 1.00 64.35 H new ATOM 0 HG2 GLU A 106 -8.696 29.382 -15.834 1.00 10.54 H new ATOM 0 HG3 GLU A 106 -10.043 30.342 -16.413 1.00 10.54 H new ATOM 1696 N GLU A 107 -10.082 26.267 -15.729 1.00 65.32 N ATOM 1697 CA GLU A 107 -9.275 25.318 -16.488 1.00 1.34 C ATOM 1698 C GLU A 107 -10.042 24.799 -17.701 1.00 1.45 C ATOM 1699 O GLU A 107 -9.478 24.643 -18.783 1.00 31.24 O ATOM 1700 CB GLU A 107 -8.854 24.147 -15.599 1.00 52.20 C ATOM 1701 CG GLU A 107 -7.348 23.962 -15.509 1.00 22.25 C ATOM 1702 CD GLU A 107 -6.941 22.501 -15.478 1.00 14.51 C ATOM 1703 OE1 GLU A 107 -7.143 21.806 -16.495 1.00 13.32 O ATOM 1704 OE2 GLU A 107 -6.421 22.054 -14.434 1.00 70.33 O ATOM 0 H GLU A 107 -10.258 25.993 -14.762 1.00 65.32 H new ATOM 0 HA GLU A 107 -8.383 25.838 -16.838 1.00 1.34 H new ATOM 0 HB2 GLU A 107 -9.253 24.301 -14.597 1.00 52.20 H new ATOM 0 HB3 GLU A 107 -9.302 23.231 -15.983 1.00 52.20 H new ATOM 0 HG2 GLU A 107 -6.874 24.449 -16.361 1.00 22.25 H new ATOM 0 HG3 GLU A 107 -6.978 24.458 -14.612 1.00 22.25 H new ATOM 1711 N GLN A 108 -11.331 24.534 -17.510 1.00 2.24 N ATOM 1712 CA GLN A 108 -12.174 24.032 -18.589 1.00 42.14 C ATOM 1713 C GLN A 108 -12.485 25.135 -19.596 1.00 44.24 C ATOM 1714 O GLN A 108 -12.445 24.913 -20.805 1.00 65.23 O ATOM 1715 CB GLN A 108 -13.476 23.461 -18.022 1.00 50.03 C ATOM 1716 CG GLN A 108 -14.403 22.892 -19.084 1.00 62.10 C ATOM 1717 CD GLN A 108 -14.405 21.376 -19.105 1.00 33.21 C ATOM 1718 OE1 GLN A 108 -13.429 20.737 -18.711 1.00 41.13 O ATOM 1719 NE2 GLN A 108 -15.505 20.792 -19.565 1.00 34.23 N ATOM 0 H GLN A 108 -11.813 24.658 -16.620 1.00 2.24 H new ATOM 0 HA GLN A 108 -11.630 23.240 -19.103 1.00 42.14 H new ATOM 0 HB2 GLN A 108 -13.237 22.678 -17.303 1.00 50.03 H new ATOM 0 HB3 GLN A 108 -14.000 24.246 -17.476 1.00 50.03 H new ATOM 0 HG2 GLN A 108 -15.417 23.250 -18.906 1.00 62.10 H new ATOM 0 HG3 GLN A 108 -14.100 23.265 -20.063 1.00 62.10 H new ATOM 0 HE21 GLN A 108 -16.290 21.361 -19.881 1.00 34.23 H new ATOM 0 HE22 GLN A 108 -15.565 19.774 -19.602 1.00 34.23 H new ATOM 1728 N ASN A 109 -12.794 26.324 -19.087 1.00 25.33 N ATOM 1729 CA ASN A 109 -13.112 27.461 -19.943 1.00 64.15 C ATOM 1730 C ASN A 109 -11.953 27.777 -20.881 1.00 14.40 C ATOM 1731 O ASN A 109 -12.157 28.162 -22.033 1.00 41.51 O ATOM 1732 CB ASN A 109 -13.445 28.688 -19.092 1.00 43.34 C ATOM 1733 CG ASN A 109 -13.735 29.915 -19.935 1.00 55.12 C ATOM 1734 OD1 ASN A 109 -14.877 30.161 -20.323 1.00 74.52 O ATOM 1735 ND2 ASN A 109 -12.697 30.693 -20.223 1.00 30.54 N ATOM 0 H ASN A 109 -12.831 26.524 -18.088 1.00 25.33 H new ATOM 0 HA ASN A 109 -13.981 27.199 -20.546 1.00 64.15 H new ATOM 0 HB2 ASN A 109 -14.309 28.468 -18.465 1.00 43.34 H new ATOM 0 HB3 ASN A 109 -12.611 28.899 -18.422 1.00 43.34 H new ATOM 0 HD21 ASN A 109 -12.830 31.533 -20.787 1.00 30.54 H new ATOM 0 HD22 ASN A 109 -11.767 30.451 -19.880 1.00 30.54 H new ATOM 1742 N LYS A 110 -10.733 27.612 -20.382 1.00 55.45 N ATOM 1743 CA LYS A 110 -9.538 27.878 -21.174 1.00 61.23 C ATOM 1744 C LYS A 110 -9.481 26.966 -22.395 1.00 21.20 C ATOM 1745 O LYS A 110 -8.817 27.276 -23.384 1.00 54.12 O ATOM 1746 CB LYS A 110 -8.281 27.685 -20.321 1.00 22.22 C ATOM 1747 CG LYS A 110 -7.342 28.878 -20.344 1.00 20.22 C ATOM 1748 CD LYS A 110 -5.928 28.482 -19.953 1.00 62.52 C ATOM 1749 CE LYS A 110 -5.496 29.162 -18.663 1.00 70.31 C ATOM 1750 NZ LYS A 110 -6.101 28.515 -17.465 1.00 54.25 N ATOM 0 H LYS A 110 -10.545 27.295 -19.431 1.00 55.45 H new ATOM 0 HA LYS A 110 -9.582 28.912 -21.516 1.00 61.23 H new ATOM 0 HB2 LYS A 110 -8.578 27.487 -19.291 1.00 22.22 H new ATOM 0 HB3 LYS A 110 -7.745 26.804 -20.673 1.00 22.22 H new ATOM 0 HG2 LYS A 110 -7.335 29.318 -21.341 1.00 20.22 H new ATOM 0 HG3 LYS A 110 -7.709 29.644 -19.661 1.00 20.22 H new ATOM 0 HD2 LYS A 110 -5.872 27.400 -19.832 1.00 62.52 H new ATOM 0 HD3 LYS A 110 -5.239 28.749 -20.755 1.00 62.52 H new ATOM 0 HE2 LYS A 110 -4.409 29.131 -18.583 1.00 70.31 H new ATOM 0 HE3 LYS A 110 -5.784 30.213 -18.692 1.00 70.31 H new ATOM 0 HZ1 LYS A 110 -5.782 29.007 -16.606 1.00 54.25 H new ATOM 0 HZ2 LYS A 110 -7.138 28.567 -17.529 1.00 54.25 H new ATOM 0 HZ3 LYS A 110 -5.806 27.519 -17.422 1.00 54.25 H new ATOM 1764 N SER A 111 -10.183 25.839 -22.321 1.00 51.32 N ATOM 1765 CA SER A 111 -10.211 24.881 -23.419 1.00 13.54 C ATOM 1766 C SER A 111 -11.587 24.845 -24.074 1.00 5.43 C ATOM 1767 O SER A 111 -11.897 23.939 -24.849 1.00 52.14 O ATOM 1768 CB SER A 111 -9.836 23.486 -22.916 1.00 62.00 C ATOM 1769 OG SER A 111 -8.626 23.517 -22.179 1.00 70.11 O ATOM 0 H SER A 111 -10.740 25.568 -21.511 1.00 51.32 H new ATOM 0 HA SER A 111 -9.482 25.199 -24.164 1.00 13.54 H new ATOM 0 HB2 SER A 111 -10.637 23.095 -22.289 1.00 62.00 H new ATOM 0 HB3 SER A 111 -9.733 22.807 -23.762 1.00 62.00 H new ATOM 0 HG SER A 111 -8.410 22.613 -21.867 1.00 70.11 H new ATOM 1775 N LYS A 112 -12.412 25.839 -23.759 1.00 73.24 N ATOM 1776 CA LYS A 112 -13.756 25.924 -24.316 1.00 5.02 C ATOM 1777 C LYS A 112 -13.716 26.408 -25.762 1.00 12.12 C ATOM 1778 O LYS A 112 -14.500 25.960 -26.600 1.00 14.25 O ATOM 1779 CB LYS A 112 -14.621 26.866 -23.475 1.00 11.23 C ATOM 1780 CG LYS A 112 -16.110 26.728 -23.743 1.00 13.13 C ATOM 1781 CD LYS A 112 -16.858 28.005 -23.400 1.00 24.42 C ATOM 1782 CE LYS A 112 -17.816 27.793 -22.237 1.00 14.40 C ATOM 1783 NZ LYS A 112 -19.206 27.536 -22.703 1.00 2.13 N ATOM 0 H LYS A 112 -12.172 26.597 -23.120 1.00 73.24 H new ATOM 0 HA LYS A 112 -14.194 24.926 -24.297 1.00 5.02 H new ATOM 0 HB2 LYS A 112 -14.431 26.674 -22.419 1.00 11.23 H new ATOM 0 HB3 LYS A 112 -14.319 27.895 -23.671 1.00 11.23 H new ATOM 0 HG2 LYS A 112 -16.271 26.482 -24.793 1.00 13.13 H new ATOM 0 HG3 LYS A 112 -16.511 25.901 -23.157 1.00 13.13 H new ATOM 0 HD2 LYS A 112 -16.145 28.789 -23.147 1.00 24.42 H new ATOM 0 HD3 LYS A 112 -17.413 28.349 -24.273 1.00 24.42 H new ATOM 0 HE2 LYS A 112 -17.474 26.952 -21.634 1.00 14.40 H new ATOM 0 HE3 LYS A 112 -17.806 28.672 -21.593 1.00 14.40 H new ATOM 0 HZ1 LYS A 112 -19.828 27.397 -21.881 1.00 2.13 H new ATOM 0 HZ2 LYS A 112 -19.542 28.349 -23.258 1.00 2.13 H new ATOM 0 HZ3 LYS A 112 -19.221 26.682 -23.297 1.00 2.13 H new ATOM 1797 N LYS A 113 -12.798 27.324 -26.049 1.00 15.40 N ATOM 1798 CA LYS A 113 -12.653 27.869 -27.394 1.00 31.42 C ATOM 1799 C LYS A 113 -12.489 26.749 -28.418 1.00 0.30 C ATOM 1800 O LYS A 113 -12.909 26.880 -29.568 1.00 32.34 O ATOM 1801 CB LYS A 113 -11.450 28.812 -27.458 1.00 44.23 C ATOM 1802 CG LYS A 113 -11.438 29.699 -28.692 1.00 73.32 C ATOM 1803 CD LYS A 113 -11.809 31.132 -28.351 1.00 4.04 C ATOM 1804 CE LYS A 113 -13.299 31.273 -28.082 1.00 71.12 C ATOM 1805 NZ LYS A 113 -13.701 32.698 -27.918 1.00 74.45 N ATOM 0 H LYS A 113 -12.142 27.705 -25.367 1.00 15.40 H new ATOM 0 HA LYS A 113 -13.558 28.428 -27.633 1.00 31.42 H new ATOM 0 HB2 LYS A 113 -11.444 29.441 -26.568 1.00 44.23 H new ATOM 0 HB3 LYS A 113 -10.534 28.221 -27.436 1.00 44.23 H new ATOM 0 HG2 LYS A 113 -10.448 29.677 -29.148 1.00 73.32 H new ATOM 0 HG3 LYS A 113 -12.137 29.307 -29.430 1.00 73.32 H new ATOM 0 HD2 LYS A 113 -11.248 31.455 -27.474 1.00 4.04 H new ATOM 0 HD3 LYS A 113 -11.523 31.788 -29.173 1.00 4.04 H new ATOM 0 HE2 LYS A 113 -13.860 30.830 -28.905 1.00 71.12 H new ATOM 0 HE3 LYS A 113 -13.560 30.716 -27.182 1.00 71.12 H new ATOM 0 HZ1 LYS A 113 -14.724 32.752 -27.736 1.00 74.45 H new ATOM 0 HZ2 LYS A 113 -13.185 33.114 -27.117 1.00 74.45 H new ATOM 0 HZ3 LYS A 113 -13.476 33.224 -28.786 1.00 74.45 H new ATOM 1819 N LYS A 114 -11.877 25.649 -27.994 1.00 44.25 N ATOM 1820 CA LYS A 114 -11.660 24.506 -28.871 1.00 0.31 C ATOM 1821 C LYS A 114 -12.633 23.377 -28.547 1.00 44.42 C ATOM 1822 O LYS A 114 -13.327 22.870 -29.427 1.00 12.10 O ATOM 1823 CB LYS A 114 -10.220 24.005 -28.743 1.00 21.43 C ATOM 1824 CG LYS A 114 -9.319 24.444 -29.885 1.00 62.31 C ATOM 1825 CD LYS A 114 -9.674 23.734 -31.180 1.00 11.43 C ATOM 1826 CE LYS A 114 -9.268 24.555 -32.395 1.00 71.00 C ATOM 1827 NZ LYS A 114 -10.280 24.473 -33.484 1.00 64.04 N ATOM 0 H LYS A 114 -11.522 25.525 -27.046 1.00 44.25 H new ATOM 0 HA LYS A 114 -11.836 24.829 -29.897 1.00 0.31 H new ATOM 0 HB2 LYS A 114 -9.802 24.364 -27.803 1.00 21.43 H new ATOM 0 HB3 LYS A 114 -10.226 22.916 -28.694 1.00 21.43 H new ATOM 0 HG2 LYS A 114 -9.406 25.522 -30.024 1.00 62.31 H new ATOM 0 HG3 LYS A 114 -8.280 24.238 -29.629 1.00 62.31 H new ATOM 0 HD2 LYS A 114 -9.178 22.764 -31.212 1.00 11.43 H new ATOM 0 HD3 LYS A 114 -10.747 23.544 -31.210 1.00 11.43 H new ATOM 0 HE2 LYS A 114 -9.134 25.596 -32.101 1.00 71.00 H new ATOM 0 HE3 LYS A 114 -8.306 24.202 -32.766 1.00 71.00 H new ATOM 0 HZ1 LYS A 114 -9.966 25.046 -34.293 1.00 64.04 H new ATOM 0 HZ2 LYS A 114 -10.390 23.483 -33.782 1.00 64.04 H new ATOM 0 HZ3 LYS A 114 -11.192 24.833 -33.138 1.00 64.04 H new ATOM 1841 N ALA A 115 -12.681 22.990 -27.276 1.00 55.14 N ATOM 1842 CA ALA A 115 -13.572 21.925 -26.835 1.00 74.24 C ATOM 1843 C ALA A 115 -13.234 20.607 -27.524 1.00 62.23 C ATOM 1844 O ALA A 115 -14.047 20.060 -28.269 1.00 14.43 O ATOM 1845 CB ALA A 115 -15.020 22.305 -27.098 1.00 21.01 C ATOM 0 H ALA A 115 -12.113 23.399 -26.534 1.00 55.14 H new ATOM 0 HA ALA A 115 -13.434 21.790 -25.762 1.00 74.24 H new ATOM 0 HB1 ALA A 115 -15.674 21.500 -26.763 1.00 21.01 H new ATOM 0 HB2 ALA A 115 -15.261 23.218 -26.554 1.00 21.01 H new ATOM 0 HB3 ALA A 115 -15.165 22.470 -28.166 1.00 21.01 H new ATOM 1851 N GLN A 116 -12.031 20.101 -27.269 1.00 14.54 N ATOM 1852 CA GLN A 116 -11.587 18.848 -27.867 1.00 13.53 C ATOM 1853 C GLN A 116 -11.594 17.722 -26.839 1.00 11.40 C ATOM 1854 O GLN A 116 -12.183 16.666 -27.067 1.00 71.14 O ATOM 1855 CB GLN A 116 -10.185 19.008 -28.457 1.00 54.04 C ATOM 1856 CG GLN A 116 -10.096 18.631 -29.927 1.00 43.20 C ATOM 1857 CD GLN A 116 -9.572 17.224 -30.138 1.00 53.43 C ATOM 1858 OE1 GLN A 116 -10.308 16.247 -29.993 1.00 75.11 O ATOM 1859 NE2 GLN A 116 -8.294 17.113 -30.482 1.00 13.53 N ATOM 0 H GLN A 116 -11.347 20.540 -26.652 1.00 14.54 H new ATOM 0 HA GLN A 116 -12.282 18.590 -28.666 1.00 13.53 H new ATOM 0 HB2 GLN A 116 -9.865 20.043 -28.336 1.00 54.04 H new ATOM 0 HB3 GLN A 116 -9.489 18.391 -27.890 1.00 54.04 H new ATOM 0 HG2 GLN A 116 -11.083 18.719 -30.381 1.00 43.20 H new ATOM 0 HG3 GLN A 116 -9.445 19.338 -30.441 1.00 43.20 H new ATOM 0 HE21 GLN A 116 -7.721 17.950 -30.591 1.00 13.53 H new ATOM 0 HE22 GLN A 116 -7.886 16.191 -30.637 1.00 13.53 H new ATOM 1868 N GLN A 117 -10.935 17.956 -25.709 1.00 42.10 N ATOM 1869 CA GLN A 117 -10.865 16.960 -24.646 1.00 21.11 C ATOM 1870 C GLN A 117 -12.225 16.779 -23.979 1.00 60.02 C ATOM 1871 O GLN A 117 -12.528 15.713 -23.445 1.00 34.43 O ATOM 1872 CB GLN A 117 -9.823 17.368 -23.604 1.00 13.00 C ATOM 1873 CG GLN A 117 -8.399 17.005 -23.992 1.00 12.21 C ATOM 1874 CD GLN A 117 -8.201 15.510 -24.151 1.00 31.02 C ATOM 1875 OE1 GLN A 117 -8.113 14.776 -23.166 1.00 41.13 O ATOM 1876 NE2 GLN A 117 -8.128 15.051 -25.395 1.00 21.50 N ATOM 0 H GLN A 117 -10.442 18.826 -25.506 1.00 42.10 H new ATOM 0 HA GLN A 117 -10.570 16.010 -25.092 1.00 21.11 H new ATOM 0 HB2 GLN A 117 -9.884 18.444 -23.444 1.00 13.00 H new ATOM 0 HB3 GLN A 117 -10.065 16.890 -22.654 1.00 13.00 H new ATOM 0 HG2 GLN A 117 -8.143 17.503 -24.927 1.00 12.21 H new ATOM 0 HG3 GLN A 117 -7.713 17.380 -23.233 1.00 12.21 H new ATOM 0 HE21 GLN A 117 -8.206 15.695 -26.182 1.00 21.50 H new ATOM 0 HE22 GLN A 117 -7.994 14.054 -25.564 1.00 21.50 H new ATOM 1885 N ALA A 118 -13.039 17.829 -24.013 1.00 42.24 N ATOM 1886 CA ALA A 118 -14.367 17.784 -23.412 1.00 1.32 C ATOM 1887 C ALA A 118 -15.145 16.563 -23.890 1.00 61.22 C ATOM 1888 O ALA A 118 -15.863 15.931 -23.116 1.00 44.22 O ATOM 1889 CB ALA A 118 -15.133 19.059 -23.733 1.00 3.24 C ATOM 0 H ALA A 118 -12.803 18.720 -24.450 1.00 42.24 H new ATOM 0 HA ALA A 118 -14.248 17.706 -22.331 1.00 1.32 H new ATOM 0 HB1 ALA A 118 -16.123 19.013 -23.279 1.00 3.24 H new ATOM 0 HB2 ALA A 118 -14.592 19.918 -23.337 1.00 3.24 H new ATOM 0 HB3 ALA A 118 -15.234 19.160 -24.814 1.00 3.24 H new ATOM 1895 N ALA A 119 -14.997 16.236 -25.169 1.00 22.10 N ATOM 1896 CA ALA A 119 -15.685 15.089 -25.750 1.00 60.15 C ATOM 1897 C ALA A 119 -14.957 13.790 -25.424 1.00 70.44 C ATOM 1898 O ALA A 119 -14.056 13.766 -24.586 1.00 75.32 O ATOM 1899 CB ALA A 119 -15.816 15.259 -27.256 1.00 61.23 C ATOM 0 H ALA A 119 -14.407 16.749 -25.823 1.00 22.10 H new ATOM 0 HA ALA A 119 -16.682 15.036 -25.314 1.00 60.15 H new ATOM 0 HB1 ALA A 119 -16.331 14.395 -27.676 1.00 61.23 H new ATOM 0 HB2 ALA A 119 -16.386 16.162 -27.472 1.00 61.23 H new ATOM 0 HB3 ALA A 119 -14.824 15.341 -27.701 1.00 61.23 H new ATOM 1905 N ALA A 120 -15.354 12.711 -26.090 1.00 72.12 N ATOM 1906 CA ALA A 120 -14.738 11.409 -25.872 1.00 61.55 C ATOM 1907 C ALA A 120 -15.056 10.877 -24.478 1.00 75.12 C ATOM 1908 O ALA A 120 -14.310 10.066 -23.928 1.00 45.44 O ATOM 1909 CB ALA A 120 -13.232 11.496 -26.074 1.00 12.25 C ATOM 0 H ALA A 120 -16.100 12.713 -26.785 1.00 72.12 H new ATOM 0 HA ALA A 120 -15.152 10.713 -26.602 1.00 61.55 H new ATOM 0 HB1 ALA A 120 -12.785 10.516 -25.908 1.00 12.25 H new ATOM 0 HB2 ALA A 120 -13.020 11.824 -27.092 1.00 12.25 H new ATOM 0 HB3 ALA A 120 -12.811 12.211 -25.367 1.00 12.25 H new ATOM 1915 N ASP A 121 -16.166 11.339 -23.914 1.00 41.45 N ATOM 1916 CA ASP A 121 -16.582 10.910 -22.583 1.00 2.13 C ATOM 1917 C ASP A 121 -17.964 10.263 -22.629 1.00 73.14 C ATOM 1918 O ASP A 121 -18.800 10.495 -21.756 1.00 52.34 O ATOM 1919 CB ASP A 121 -16.594 12.099 -21.621 1.00 64.21 C ATOM 1920 CG ASP A 121 -16.323 11.686 -20.188 1.00 70.31 C ATOM 1921 OD1 ASP A 121 -16.955 10.716 -19.719 1.00 21.13 O ATOM 1922 OD2 ASP A 121 -15.478 12.333 -19.534 1.00 65.50 O ATOM 0 H ASP A 121 -16.794 12.010 -24.357 1.00 41.45 H new ATOM 0 HA ASP A 121 -15.865 10.171 -22.225 1.00 2.13 H new ATOM 0 HB2 ASP A 121 -15.844 12.825 -21.935 1.00 64.21 H new ATOM 0 HB3 ASP A 121 -17.562 12.597 -21.676 1.00 64.21 H new ATOM 1927 N THR A 122 -18.196 9.450 -23.655 1.00 65.04 N ATOM 1928 CA THR A 122 -19.476 8.771 -23.816 1.00 11.24 C ATOM 1929 C THR A 122 -19.504 7.459 -23.040 1.00 1.35 C ATOM 1930 O THR A 122 -19.235 6.393 -23.593 1.00 54.43 O ATOM 1931 CB THR A 122 -19.776 8.483 -25.300 1.00 54.14 C ATOM 1932 OG1 THR A 122 -18.614 7.941 -25.938 1.00 63.43 O ATOM 1933 CG2 THR A 122 -20.211 9.750 -26.020 1.00 23.44 C ATOM 0 H THR A 122 -17.515 9.246 -24.386 1.00 65.04 H new ATOM 0 HA THR A 122 -20.241 9.440 -23.421 1.00 11.24 H new ATOM 0 HB THR A 122 -20.589 7.759 -25.350 1.00 54.14 H new ATOM 0 HG1 THR A 122 -18.302 7.157 -25.439 1.00 63.43 H new ATOM 0 HG21 THR A 122 -20.417 9.522 -27.066 1.00 23.44 H new ATOM 0 HG22 THR A 122 -21.112 10.144 -25.550 1.00 23.44 H new ATOM 0 HG23 THR A 122 -19.416 10.493 -25.961 1.00 23.44 H new ATOM 1941 N GLY A 123 -19.833 7.545 -21.754 1.00 32.13 N ATOM 1942 CA GLY A 123 -19.891 6.357 -20.923 1.00 40.23 C ATOM 1943 C GLY A 123 -21.303 6.029 -20.479 1.00 70.41 C ATOM 1944 O GLY A 123 -22.229 6.805 -20.709 1.00 72.44 O ATOM 0 H GLY A 123 -20.060 8.416 -21.274 1.00 32.13 H new ATOM 0 HA2 GLY A 123 -19.481 5.511 -21.475 1.00 40.23 H new ATOM 0 HA3 GLY A 123 -19.261 6.500 -20.045 1.00 40.23 H new ATOM 1948 N ASN A 124 -21.468 4.873 -19.842 1.00 35.34 N ATOM 1949 CA ASN A 124 -22.777 4.442 -19.368 1.00 51.05 C ATOM 1950 C ASN A 124 -22.723 4.067 -17.890 1.00 74.25 C ATOM 1951 O ASN A 124 -23.605 4.432 -17.114 1.00 55.44 O ATOM 1952 CB ASN A 124 -23.275 3.252 -20.190 1.00 52.22 C ATOM 1953 CG ASN A 124 -22.181 2.235 -20.455 1.00 62.35 C ATOM 1954 OD1 ASN A 124 -21.961 1.323 -19.659 1.00 72.42 O ATOM 1955 ND2 ASN A 124 -21.491 2.388 -21.579 1.00 3.31 N ATOM 0 H ASN A 124 -20.711 4.219 -19.643 1.00 35.34 H new ATOM 0 HA ASN A 124 -23.471 5.273 -19.489 1.00 51.05 H new ATOM 0 HB2 ASN A 124 -24.097 2.768 -19.663 1.00 52.22 H new ATOM 0 HB3 ASN A 124 -23.672 3.610 -21.140 1.00 52.22 H new ATOM 0 HD21 ASN A 124 -20.744 1.734 -21.812 1.00 3.31 H new ATOM 0 HD22 ASN A 124 -21.708 3.159 -22.210 1.00 3.31 H new ATOM 1962 N ASN A 125 -21.681 3.335 -17.509 1.00 63.52 N ATOM 1963 CA ASN A 125 -21.512 2.909 -16.124 1.00 33.41 C ATOM 1964 C ASN A 125 -21.571 4.104 -15.176 1.00 20.52 C ATOM 1965 O ASN A 125 -21.568 5.254 -15.612 1.00 12.43 O ATOM 1966 CB ASN A 125 -20.181 2.174 -15.953 1.00 33.44 C ATOM 1967 CG ASN A 125 -20.279 0.707 -16.326 1.00 11.34 C ATOM 1968 OD1 ASN A 125 -21.374 0.158 -16.451 1.00 13.20 O ATOM 1969 ND2 ASN A 125 -19.130 0.064 -16.507 1.00 41.45 N ATOM 0 H ASN A 125 -20.941 3.025 -18.139 1.00 63.52 H new ATOM 0 HA ASN A 125 -22.329 2.231 -15.877 1.00 33.41 H new ATOM 0 HB2 ASN A 125 -19.422 2.653 -16.571 1.00 33.44 H new ATOM 0 HB3 ASN A 125 -19.851 2.262 -14.918 1.00 33.44 H new ATOM 0 HD21 ASN A 125 -19.133 -0.924 -16.760 1.00 41.45 H new ATOM 0 HD22 ASN A 125 -18.245 0.559 -16.393 1.00 41.45 H new ATOM 1976 N SER A 126 -21.623 3.821 -13.879 1.00 1.41 N ATOM 1977 CA SER A 126 -21.686 4.871 -12.869 1.00 14.35 C ATOM 1978 C SER A 126 -22.951 5.708 -13.034 1.00 75.20 C ATOM 1979 O SER A 126 -22.883 6.901 -13.330 1.00 25.21 O ATOM 1980 CB SER A 126 -20.451 5.770 -12.961 1.00 33.35 C ATOM 1981 OG SER A 126 -19.300 5.021 -13.313 1.00 54.20 O ATOM 0 H SER A 126 -21.623 2.873 -13.502 1.00 1.41 H new ATOM 0 HA SER A 126 -21.710 4.397 -11.888 1.00 14.35 H new ATOM 0 HB2 SER A 126 -20.621 6.552 -13.702 1.00 33.35 H new ATOM 0 HB3 SER A 126 -20.287 6.267 -12.005 1.00 33.35 H new ATOM 0 HG SER A 126 -18.525 5.618 -13.367 1.00 54.20 H new ATOM 1987 N GLN A 127 -24.102 5.073 -12.840 1.00 11.35 N ATOM 1988 CA GLN A 127 -25.383 5.758 -12.968 1.00 55.33 C ATOM 1989 C GLN A 127 -26.147 5.733 -11.648 1.00 3.02 C ATOM 1990 O GLN A 127 -26.712 4.708 -11.266 1.00 51.42 O ATOM 1991 CB GLN A 127 -26.223 5.112 -14.071 1.00 64.12 C ATOM 1992 CG GLN A 127 -27.202 6.070 -14.730 1.00 13.11 C ATOM 1993 CD GLN A 127 -28.620 5.537 -14.746 1.00 23.43 C ATOM 1994 OE1 GLN A 127 -29.090 4.961 -13.765 1.00 65.23 O ATOM 1995 NE2 GLN A 127 -29.311 5.724 -15.865 1.00 35.21 N ATOM 0 H GLN A 127 -24.174 4.086 -12.594 1.00 11.35 H new ATOM 0 HA GLN A 127 -25.187 6.797 -13.233 1.00 55.33 H new ATOM 0 HB2 GLN A 127 -25.557 4.705 -14.832 1.00 64.12 H new ATOM 0 HB3 GLN A 127 -26.776 4.273 -13.650 1.00 64.12 H new ATOM 0 HG2 GLN A 127 -27.182 7.023 -14.202 1.00 13.11 H new ATOM 0 HG3 GLN A 127 -26.880 6.266 -15.753 1.00 13.11 H new ATOM 0 HE21 GLN A 127 -28.882 6.207 -16.654 1.00 35.21 H new ATOM 0 HE22 GLN A 127 -30.270 5.385 -15.935 1.00 35.21 H new ATOM 2004 N VAL A 128 -26.160 6.868 -10.956 1.00 44.31 N ATOM 2005 CA VAL A 128 -26.857 6.977 -9.680 1.00 71.32 C ATOM 2006 C VAL A 128 -27.383 8.390 -9.458 1.00 32.42 C ATOM 2007 O VAL A 128 -26.661 9.369 -9.647 1.00 73.35 O ATOM 2008 CB VAL A 128 -25.937 6.593 -8.504 1.00 30.13 C ATOM 2009 CG1 VAL A 128 -24.738 7.527 -8.438 1.00 62.12 C ATOM 2010 CG2 VAL A 128 -26.710 6.611 -7.195 1.00 1.43 C ATOM 0 H VAL A 128 -25.696 7.725 -11.258 1.00 44.31 H new ATOM 0 HA VAL A 128 -27.696 6.283 -9.718 1.00 71.32 H new ATOM 0 HB VAL A 128 -25.570 5.580 -8.668 1.00 30.13 H new ATOM 0 HG11 VAL A 128 -24.100 7.241 -7.602 1.00 62.12 H new ATOM 0 HG12 VAL A 128 -24.172 7.458 -9.367 1.00 62.12 H new ATOM 0 HG13 VAL A 128 -25.082 8.552 -8.298 1.00 62.12 H new ATOM 0 HG21 VAL A 128 -26.045 6.337 -6.376 1.00 1.43 H new ATOM 0 HG22 VAL A 128 -27.108 7.611 -7.021 1.00 1.43 H new ATOM 0 HG23 VAL A 128 -27.532 5.898 -7.248 1.00 1.43 H new ATOM 2020 N SER A 129 -28.646 8.489 -9.058 1.00 44.43 N ATOM 2021 CA SER A 129 -29.272 9.784 -8.814 1.00 34.15 C ATOM 2022 C SER A 129 -30.552 9.625 -8.001 1.00 60.22 C ATOM 2023 O SER A 129 -30.871 8.531 -7.535 1.00 4.31 O ATOM 2024 CB SER A 129 -29.579 10.483 -10.140 1.00 3.42 C ATOM 2025 OG SER A 129 -28.935 11.743 -10.214 1.00 65.23 O ATOM 0 H SER A 129 -29.257 7.688 -8.896 1.00 44.43 H new ATOM 0 HA SER A 129 -28.574 10.395 -8.242 1.00 34.15 H new ATOM 0 HB2 SER A 129 -29.253 9.855 -10.969 1.00 3.42 H new ATOM 0 HB3 SER A 129 -30.656 10.615 -10.244 1.00 3.42 H new ATOM 0 HG SER A 129 -29.146 12.168 -11.071 1.00 65.23 H new ATOM 2031 N GLN A 130 -31.280 10.724 -7.834 1.00 1.12 N ATOM 2032 CA GLN A 130 -32.526 10.706 -7.076 1.00 42.30 C ATOM 2033 C GLN A 130 -32.320 10.070 -5.706 1.00 41.33 C ATOM 2034 O GLN A 130 -33.232 9.458 -5.152 1.00 61.14 O ATOM 2035 CB GLN A 130 -33.606 9.946 -7.848 1.00 43.20 C ATOM 2036 CG GLN A 130 -34.975 10.604 -7.784 1.00 21.04 C ATOM 2037 CD GLN A 130 -35.855 10.236 -8.963 1.00 74.31 C ATOM 2038 OE1 GLN A 130 -36.373 9.121 -9.041 1.00 43.21 O ATOM 2039 NE2 GLN A 130 -36.028 11.173 -9.889 1.00 71.45 N ATOM 0 H GLN A 130 -31.029 11.637 -8.213 1.00 1.12 H new ATOM 0 HA GLN A 130 -32.850 11.737 -6.932 1.00 42.30 H new ATOM 0 HB2 GLN A 130 -33.302 9.859 -8.891 1.00 43.20 H new ATOM 0 HB3 GLN A 130 -33.680 8.933 -7.452 1.00 43.20 H new ATOM 0 HG2 GLN A 130 -35.472 10.311 -6.859 1.00 21.04 H new ATOM 0 HG3 GLN A 130 -34.852 11.687 -7.751 1.00 21.04 H new ATOM 0 HE21 GLN A 130 -35.580 12.083 -9.784 1.00 71.45 H new ATOM 0 HE22 GLN A 130 -36.609 10.982 -10.705 1.00 71.45 H new ATOM 2048 N ASN A 131 -31.116 10.220 -5.164 1.00 42.34 N ATOM 2049 CA ASN A 131 -30.790 9.659 -3.858 1.00 70.44 C ATOM 2050 C ASN A 131 -31.697 10.238 -2.775 1.00 13.21 C ATOM 2051 O ASN A 131 -31.532 11.387 -2.364 1.00 4.32 O ATOM 2052 CB ASN A 131 -29.325 9.933 -3.512 1.00 22.05 C ATOM 2053 CG ASN A 131 -28.531 8.657 -3.304 1.00 25.11 C ATOM 2054 OD1 ASN A 131 -27.930 8.127 -4.238 1.00 5.34 O ATOM 2055 ND2 ASN A 131 -28.527 8.158 -2.073 1.00 62.02 N ATOM 0 H ASN A 131 -30.350 10.725 -5.609 1.00 42.34 H new ATOM 0 HA ASN A 131 -30.950 8.582 -3.904 1.00 70.44 H new ATOM 0 HB2 ASN A 131 -28.868 10.515 -4.312 1.00 22.05 H new ATOM 0 HB3 ASN A 131 -29.275 10.540 -2.608 1.00 22.05 H new ATOM 0 HD21 ASN A 131 -28.011 7.301 -1.872 1.00 62.02 H new ATOM 0 HD22 ASN A 131 -29.040 8.631 -1.329 1.00 62.02 H new ATOM 2062 N TYR A 132 -32.651 9.435 -2.318 1.00 31.25 N ATOM 2063 CA TYR A 132 -33.584 9.868 -1.285 1.00 5.41 C ATOM 2064 C TYR A 132 -33.077 9.486 0.102 1.00 3.53 C ATOM 2065 O TYR A 132 -32.149 8.686 0.206 1.00 32.10 O ATOM 2066 CB TYR A 132 -34.964 9.253 -1.525 1.00 72.35 C ATOM 2067 CG TYR A 132 -35.782 9.984 -2.563 1.00 31.21 C ATOM 2068 CD1 TYR A 132 -36.161 11.307 -2.372 1.00 65.40 C ATOM 2069 CD2 TYR A 132 -36.175 9.353 -3.738 1.00 63.14 C ATOM 2070 CE1 TYR A 132 -36.910 11.979 -3.319 1.00 30.23 C ATOM 2071 CE2 TYR A 132 -36.923 10.018 -4.690 1.00 33.30 C ATOM 2072 CZ TYR A 132 -37.288 11.330 -4.477 1.00 41.25 C ATOM 2073 OH TYR A 132 -38.033 11.998 -5.422 1.00 32.21 O ATOM 0 H TYR A 132 -32.799 8.481 -2.647 1.00 31.25 H new ATOM 0 HA TYR A 132 -33.664 10.954 -1.335 1.00 5.41 H new ATOM 0 HB2 TYR A 132 -34.841 8.216 -1.837 1.00 72.35 H new ATOM 0 HB3 TYR A 132 -35.515 9.240 -0.584 1.00 72.35 H new ATOM 0 HD1 TYR A 132 -35.865 11.819 -1.468 1.00 65.40 H new ATOM 0 HD2 TYR A 132 -35.891 8.325 -3.909 1.00 63.14 H new ATOM 0 HE1 TYR A 132 -37.198 13.007 -3.154 1.00 30.23 H new ATOM 0 HE2 TYR A 132 -37.220 9.512 -5.597 1.00 33.30 H new ATOM 0 HH TYR A 132 -38.215 11.401 -6.177 1.00 32.21 H new TER 2083 TYR A 132 HETATM 2084 P1 PBU A 300 -16.874 18.123 9.827 1.00 71.51 P HETATM 2085 P4 PBU A 300 -18.557 25.891 6.292 1.00 62.44 P HETATM 2086 P5 PBU A 300 -19.225 22.549 3.528 1.00 54.13 P HETATM 2087 C3' PBU A 300 -17.447 16.215 8.299 1.00 52.34 C HETATM 2088 C2' PBU A 300 -16.099 16.178 7.535 1.00 64.53 C HETATM 2089 O2' PBU A 300 -16.328 15.634 6.246 1.00 32.12 O HETATM 2090 C1' PBU A 300 -15.043 15.315 8.266 1.00 11.04 C HETATM 2091 O1' PBU A 300 -15.648 14.120 8.716 1.00 14.14 O HETATM 2092 C1 PBU A 300 -17.461 20.386 8.057 1.00 4.42 C HETATM 2093 O1 PBU A 300 -17.753 19.048 8.748 1.00 61.01 O HETATM 2094 C2 PBU A 300 -17.463 21.640 8.995 1.00 14.44 C HETATM 2095 O2 PBU A 300 -18.676 21.793 9.724 1.00 1.11 O HETATM 2096 C3 PBU A 300 -17.199 22.928 8.181 1.00 31.33 C HETATM 2097 O3 PBU A 300 -17.219 24.036 9.093 1.00 21.41 O HETATM 2098 C4 PBU A 300 -18.256 23.100 7.022 1.00 22.21 C HETATM 2099 O4 PBU A 300 -17.930 24.347 6.221 1.00 10.33 O HETATM 2100 C5 PBU A 300 -18.214 21.815 6.102 1.00 75.22 C HETATM 2101 O5 PBU A 300 -19.237 21.948 5.064 1.00 5.43 O HETATM 2102 C6 PBU A 300 -18.466 20.508 6.895 1.00 74.03 C HETATM 2103 O6 PBU A 300 -18.310 19.337 6.079 1.00 54.22 O HETATM 2104 C7 PBU A 300 -16.512 16.544 5.176 1.00 54.11 C HETATM 2105 O7 PBU A 300 -17.510 16.493 4.492 1.00 2.33 O HETATM 2106 C8 PBU A 300 -15.444 17.615 4.893 1.00 43.33 C HETATM 2107 C9 PBU A 300 -15.501 18.046 3.415 1.00 54.02 C HETATM 2108 C10 PBU A 300 -14.692 19.342 3.228 1.00 45.33 C HETATM 2109 C11 PBU A 300 -15.693 13.774 10.080 1.00 75.33 C HETATM 2110 O11 PBU A 300 -16.710 13.726 10.746 1.00 54.22 O HETATM 2111 C12 PBU A 300 -14.314 13.497 10.744 1.00 44.10 C HETATM 2112 C13 PBU A 300 -14.144 12.045 11.220 1.00 63.11 C HETATM 2113 C14 PBU A 300 -12.657 11.664 11.322 1.00 42.32 C HETATM 2114 O41 PBU A 300 -18.418 26.265 4.819 1.00 53.13 O HETATM 2115 O42 PBU A 300 -19.976 25.727 6.765 1.00 32.42 O HETATM 2116 O43 PBU A 300 -17.746 26.732 7.264 1.00 44.24 O HETATM 2117 O51 PBU A 300 -20.438 23.456 3.581 1.00 61.02 O HETATM 2118 O52 PBU A 300 -17.858 23.207 3.420 1.00 2.45 O HETATM 2119 O53 PBU A 300 -19.407 21.316 2.673 1.00 40.43 O HETATM 2120 OP1 PBU A 300 -17.282 16.694 9.618 1.00 31.12 O HETATM 2121 OP2 PBU A 300 -15.428 18.417 9.419 1.00 0.32 O HETATM 2122 OP3 PBU A 300 -17.318 18.602 11.184 1.00 12.23 O HETATM 0 H3'2 PBU A 300 -18.152 16.852 7.765 1.00 52.34 H new HETATM 0 H3'1 PBU A 300 -17.879 15.215 8.326 1.00 52.34 H new HETATM 0 H143 PBU A 300 -12.187 11.766 10.344 1.00 42.32 H new HETATM 0 H142 PBU A 300 -12.160 12.323 12.034 1.00 42.32 H new HETATM 0 H141 PBU A 300 -12.568 10.632 11.661 1.00 42.32 H new HETATM 0 H132 PBU A 300 -14.622 11.920 12.192 1.00 63.11 H new HETATM 0 H131 PBU A 300 -14.648 11.371 10.528 1.00 63.11 H new HETATM 0 H122 PBU A 300 -13.523 13.733 10.032 1.00 44.10 H new HETATM 0 H121 PBU A 300 -14.188 14.167 11.594 1.00 44.10 H new HETATM 0 H1'2 PBU A 300 -14.215 15.087 7.595 1.00 11.04 H new HETATM 0 H1'1 PBU A 300 -14.627 15.866 9.110 1.00 11.04 H new HETATM 0 H92 PBU A 300 -15.098 17.258 2.779 1.00 54.02 H new HETATM 0 H91 PBU A 300 -16.536 18.203 3.110 1.00 54.02 H new HETATM 0 H82 PBU A 300 -15.605 18.479 5.538 1.00 43.33 H new HETATM 0 H81 PBU A 300 -14.454 17.223 5.127 1.00 43.33 H new HETATM 0 H6 PBU A 300 -19.492 20.565 7.258 1.00 74.03 H new HETATM 0 H5 PBU A 300 -17.216 21.747 5.670 1.00 75.22 H new HETATM 0 H4 PBU A 300 -19.259 23.210 7.435 1.00 22.21 H new HETATM 0 H3 PBU A 300 -16.225 22.873 7.694 1.00 31.33 H new HETATM 0 H2' PBU A 300 -15.712 17.195 7.473 1.00 64.53 H new HETATM 0 H2 PBU A 300 -16.663 21.476 9.717 1.00 14.44 H new HETATM 0 H13 PBU A 300 -15.115 20.129 3.853 1.00 45.33 H new HETATM 0 H12 PBU A 300 -13.655 19.169 3.516 1.00 45.33 H new HETATM 0 H11 PBU A 300 -14.732 19.648 2.183 1.00 45.33 H new HETATM 0 H1 PBU A 300 -16.432 20.377 7.697 1.00 4.42 H new HETATM 0 H06 PBU A 300 -17.879 18.629 6.602 1.00 54.22 H new HETATM 0 H03 PBU A 300 -17.340 24.870 8.592 1.00 21.41 H new HETATM 0 H02 PBU A 300 -18.844 22.745 9.883 1.00 1.11 H new