USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1209 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 138 GLN : amide:sc= 0.63 K(o=1.3,f=0.093) USER MOD Set 1.2: A 142 ASN : amide:sc= 0.655 K(o=1.3,f=0.093) USER MOD Set 2.1: A 74 GLN :FLIP amide:sc= 0.0132 F(o=-0.54,f=0.026) USER MOD Set 2.2: A 98 TYR OH : rot 54:sc= 0.0123 USER MOD Set 3.1: A 21 THR OG1 : rot 126:sc= 0.462 USER MOD Set 3.2: A 64 SER OG : rot 180:sc= 0.426 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.238 (180deg=0) USER MOD Single : A 3 SER OG : rot 34:sc= 1.1 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.17) USER MOD Single : A 15 SER OG : rot 170:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 103:sc= 0.0554 USER MOD Single : A 23 SER OG : rot -35:sc= 0.683 USER MOD Single : A 27 GLN : amide:sc= -0.515 K(o=-0.52,f=-9.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -8:sc= -0.14 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 37 THR OG1 : rot 100:sc= 1.29 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 0.358 (180deg=0.236) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -167:sc= -0.149 (180deg=-0.584) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= -0.0185 (180deg=-0.098) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.21 USER MOD Single : A 80 TYR OH : rot 5:sc= 0.243 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0589) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.943 X(o=-0.94,f=-0.45) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00593) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0072 X(o=-0.0072,f=-0.063) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 149:sc= 0.668 USER MOD Single : A 123 TYR OH : rot 168:sc= 1.03 USER MOD Single : A 124 THR OG1 : rot -136:sc= 0.348 USER MOD Single : A 127 TYR OH : rot 60:sc= 0.719 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 141 GLN : amide:sc=-0.00558 X(o=-0.0056,f=-0.38) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 ASN : amide:sc= 1.24 K(o=1.2,f=-9.2!) USER MOD Single : A 151 LYS NZ :NH3+ -157:sc= -0.475 (180deg=-0.745) USER MOD Single : A 154 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.224 -5.623 -20.912 1.00 40.51 N ATOM 2 CA GLY A 1 -40.183 -5.803 -19.820 1.00 73.20 C ATOM 3 C GLY A 1 -39.598 -5.177 -18.576 1.00 52.44 C ATOM 4 O GLY A 1 -38.405 -4.879 -18.549 1.00 55.10 O ATOM 0 H1 GLY A 1 -39.637 -5.004 -21.638 1.00 40.51 H new ATOM 0 H2 GLY A 1 -38.354 -5.190 -20.542 1.00 40.51 H new ATOM 0 H3 GLY A 1 -38.999 -6.547 -21.332 1.00 40.51 H new ATOM 0 HA2 GLY A 1 -41.136 -5.336 -20.069 1.00 73.20 H new ATOM 0 HA3 GLY A 1 -40.380 -6.863 -19.657 1.00 73.20 H new ATOM 8 N ASP A 2 -40.467 -4.937 -17.614 1.00 71.44 N ATOM 9 CA ASP A 2 -40.251 -4.150 -16.413 1.00 20.23 C ATOM 10 C ASP A 2 -39.462 -4.970 -15.389 1.00 44.32 C ATOM 11 O ASP A 2 -39.066 -6.108 -15.665 1.00 73.34 O ATOM 12 CB ASP A 2 -41.632 -3.702 -15.900 1.00 13.31 C ATOM 13 CG ASP A 2 -42.446 -3.064 -17.035 1.00 3.42 C ATOM 14 OD1 ASP A 2 -42.959 -3.855 -17.871 1.00 2.32 O ATOM 15 OD2 ASP A 2 -42.424 -1.824 -17.148 1.00 44.23 O ATOM 0 H ASP A 2 -41.414 -5.315 -17.653 1.00 71.44 H new ATOM 0 HA ASP A 2 -39.652 -3.261 -16.611 1.00 20.23 H new ATOM 0 HB2 ASP A 2 -42.171 -4.558 -15.495 1.00 13.31 H new ATOM 0 HB3 ASP A 2 -41.510 -2.988 -15.086 1.00 13.31 H new ATOM 20 N SER A 3 -39.176 -4.406 -14.216 1.00 2.23 N ATOM 21 CA SER A 3 -38.491 -5.091 -13.129 1.00 35.42 C ATOM 22 C SER A 3 -38.688 -4.341 -11.822 1.00 3.14 C ATOM 23 O SER A 3 -39.029 -3.160 -11.826 1.00 52.44 O ATOM 24 CB SER A 3 -36.988 -5.135 -13.410 1.00 1.25 C ATOM 25 OG SER A 3 -36.709 -6.188 -14.311 1.00 63.10 O ATOM 0 H SER A 3 -39.420 -3.441 -13.994 1.00 2.23 H new ATOM 0 HA SER A 3 -38.903 -6.097 -13.053 1.00 35.42 H new ATOM 0 HB2 SER A 3 -36.658 -4.185 -13.830 1.00 1.25 H new ATOM 0 HB3 SER A 3 -36.437 -5.281 -12.481 1.00 1.25 H new ATOM 0 HG SER A 3 -37.455 -6.288 -14.939 1.00 63.10 H new ATOM 31 N GLU A 4 -38.357 -5.023 -10.725 1.00 51.44 N ATOM 32 CA GLU A 4 -38.348 -4.473 -9.379 1.00 12.34 C ATOM 33 C GLU A 4 -37.099 -4.875 -8.576 1.00 62.01 C ATOM 34 O GLU A 4 -36.956 -4.505 -7.413 1.00 22.23 O ATOM 35 CB GLU A 4 -39.649 -4.895 -8.667 1.00 52.22 C ATOM 36 CG GLU A 4 -39.760 -6.424 -8.504 1.00 74.44 C ATOM 37 CD GLU A 4 -41.101 -6.855 -7.902 1.00 2.45 C ATOM 38 OE1 GLU A 4 -42.103 -6.814 -8.654 1.00 24.23 O ATOM 39 OE2 GLU A 4 -41.102 -7.257 -6.720 1.00 33.14 O ATOM 0 H GLU A 4 -38.080 -6.004 -10.755 1.00 51.44 H new ATOM 0 HA GLU A 4 -38.303 -3.386 -9.448 1.00 12.34 H new ATOM 0 HB2 GLU A 4 -39.692 -4.424 -7.685 1.00 52.22 H new ATOM 0 HB3 GLU A 4 -40.505 -4.530 -9.234 1.00 52.22 H new ATOM 0 HG2 GLU A 4 -39.632 -6.900 -9.476 1.00 74.44 H new ATOM 0 HG3 GLU A 4 -38.949 -6.778 -7.867 1.00 74.44 H new ATOM 46 N LEU A 5 -36.185 -5.645 -9.180 1.00 33.35 N ATOM 47 CA LEU A 5 -35.023 -6.192 -8.486 1.00 0.32 C ATOM 48 C LEU A 5 -34.088 -5.061 -8.056 1.00 23.03 C ATOM 49 O LEU A 5 -33.878 -4.097 -8.790 1.00 51.42 O ATOM 50 CB LEU A 5 -34.261 -7.182 -9.387 1.00 62.21 C ATOM 51 CG LEU A 5 -34.826 -8.616 -9.382 1.00 33.35 C ATOM 52 CD1 LEU A 5 -36.222 -8.723 -10.011 1.00 24.01 C ATOM 53 CD2 LEU A 5 -33.866 -9.538 -10.145 1.00 72.20 C ATOM 0 H LEU A 5 -36.235 -5.904 -10.165 1.00 33.35 H new ATOM 0 HA LEU A 5 -35.374 -6.726 -7.603 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -34.271 -6.805 -10.410 1.00 62.21 H new ATOM 0 HB3 LEU A 5 -33.219 -7.215 -9.069 1.00 62.21 H new ATOM 0 HG LEU A 5 -34.921 -8.914 -8.338 1.00 33.35 H new ATOM 0 HD11 LEU A 5 -36.559 -9.759 -9.974 1.00 24.01 H new ATOM 0 HD12 LEU A 5 -36.920 -8.095 -9.457 1.00 24.01 H new ATOM 0 HD13 LEU A 5 -36.180 -8.392 -11.049 1.00 24.01 H new ATOM 0 HD21 LEU A 5 -34.260 -10.554 -10.145 1.00 72.20 H new ATOM 0 HD22 LEU A 5 -33.765 -9.188 -11.172 1.00 72.20 H new ATOM 0 HD23 LEU A 5 -32.890 -9.528 -9.661 1.00 72.20 H new ATOM 65 N THR A 6 -33.436 -5.235 -6.908 1.00 11.54 N ATOM 66 CA THR A 6 -32.402 -4.347 -6.403 1.00 64.42 C ATOM 67 C THR A 6 -31.328 -5.224 -5.748 1.00 12.42 C ATOM 68 O THR A 6 -31.625 -6.333 -5.293 1.00 3.53 O ATOM 69 CB THR A 6 -33.041 -3.300 -5.471 1.00 71.21 C ATOM 70 OG1 THR A 6 -32.089 -2.326 -5.100 1.00 42.24 O ATOM 71 CG2 THR A 6 -33.660 -3.890 -4.196 1.00 53.43 C ATOM 0 H THR A 6 -33.622 -6.023 -6.288 1.00 11.54 H new ATOM 0 HA THR A 6 -31.914 -3.770 -7.188 1.00 64.42 H new ATOM 0 HB THR A 6 -33.853 -2.858 -6.049 1.00 71.21 H new ATOM 0 HG1 THR A 6 -32.509 -1.666 -4.509 1.00 42.24 H new ATOM 0 HG21 THR A 6 -34.088 -3.088 -3.595 1.00 53.43 H new ATOM 0 HG22 THR A 6 -34.443 -4.599 -4.466 1.00 53.43 H new ATOM 0 HG23 THR A 6 -32.889 -4.403 -3.621 1.00 53.43 H new ATOM 79 N THR A 7 -30.078 -4.760 -5.742 1.00 43.33 N ATOM 80 CA THR A 7 -28.894 -5.456 -5.248 1.00 24.41 C ATOM 81 C THR A 7 -27.731 -4.437 -5.275 1.00 54.44 C ATOM 82 O THR A 7 -27.892 -3.343 -5.827 1.00 55.52 O ATOM 83 CB THR A 7 -28.676 -6.728 -6.110 1.00 15.13 C ATOM 84 OG1 THR A 7 -27.689 -7.593 -5.587 1.00 71.43 O ATOM 85 CG2 THR A 7 -28.343 -6.418 -7.570 1.00 54.23 C ATOM 0 H THR A 7 -29.854 -3.833 -6.104 1.00 43.33 H new ATOM 0 HA THR A 7 -28.986 -5.812 -4.222 1.00 24.41 H new ATOM 0 HB THR A 7 -29.639 -7.237 -6.074 1.00 15.13 H new ATOM 0 HG1 THR A 7 -27.597 -8.375 -6.170 1.00 71.43 H new ATOM 0 HG21 THR A 7 -28.203 -7.350 -8.117 1.00 54.23 H new ATOM 0 HG22 THR A 7 -29.161 -5.854 -8.018 1.00 54.23 H new ATOM 0 HG23 THR A 7 -27.427 -5.828 -7.617 1.00 54.23 H new ATOM 93 N GLN A 8 -26.587 -4.756 -4.665 1.00 12.32 N ATOM 94 CA GLN A 8 -25.435 -3.858 -4.574 1.00 55.12 C ATOM 95 C GLN A 8 -24.606 -3.860 -5.870 1.00 54.51 C ATOM 96 O GLN A 8 -24.729 -4.756 -6.714 1.00 24.41 O ATOM 97 CB GLN A 8 -24.589 -4.224 -3.334 1.00 1.41 C ATOM 98 CG GLN A 8 -23.833 -5.549 -3.469 1.00 22.33 C ATOM 99 CD GLN A 8 -23.114 -5.970 -2.187 1.00 34.45 C ATOM 100 OE1 GLN A 8 -23.708 -6.072 -1.116 1.00 75.03 O ATOM 101 NE2 GLN A 8 -21.820 -6.239 -2.261 1.00 34.24 N ATOM 0 H GLN A 8 -26.434 -5.658 -4.214 1.00 12.32 H new ATOM 0 HA GLN A 8 -25.794 -2.836 -4.452 1.00 55.12 H new ATOM 0 HB2 GLN A 8 -23.872 -3.425 -3.147 1.00 1.41 H new ATOM 0 HB3 GLN A 8 -25.242 -4.277 -2.463 1.00 1.41 H new ATOM 0 HG2 GLN A 8 -24.535 -6.332 -3.757 1.00 22.33 H new ATOM 0 HG3 GLN A 8 -23.104 -5.462 -4.274 1.00 22.33 H new ATOM 0 HE21 GLN A 8 -21.331 -6.153 -3.152 1.00 34.24 H new ATOM 0 HE22 GLN A 8 -21.312 -6.532 -1.427 1.00 34.24 H new ATOM 110 N ASP A 9 -23.685 -2.902 -5.973 1.00 52.22 N ATOM 111 CA ASP A 9 -22.794 -2.652 -7.119 1.00 35.12 C ATOM 112 C ASP A 9 -21.313 -2.624 -6.735 1.00 2.23 C ATOM 113 O ASP A 9 -20.454 -2.201 -7.512 1.00 62.42 O ATOM 114 CB ASP A 9 -23.196 -1.366 -7.857 1.00 72.04 C ATOM 115 CG ASP A 9 -22.691 -0.083 -7.193 1.00 21.05 C ATOM 116 OD1 ASP A 9 -22.772 0.026 -5.946 1.00 71.43 O ATOM 117 OD2 ASP A 9 -22.293 0.867 -7.910 1.00 74.15 O ATOM 0 H ASP A 9 -23.527 -2.237 -5.216 1.00 52.22 H new ATOM 0 HA ASP A 9 -22.919 -3.498 -7.795 1.00 35.12 H new ATOM 0 HB2 ASP A 9 -22.813 -1.410 -8.877 1.00 72.04 H new ATOM 0 HB3 ASP A 9 -24.283 -1.324 -7.926 1.00 72.04 H new ATOM 122 N GLY A 10 -21.006 -3.090 -5.529 1.00 64.12 N ATOM 123 CA GLY A 10 -19.682 -3.200 -4.963 1.00 53.53 C ATOM 124 C GLY A 10 -19.836 -3.328 -3.455 1.00 13.24 C ATOM 125 O GLY A 10 -20.826 -2.883 -2.862 1.00 32.31 O ATOM 0 H GLY A 10 -21.727 -3.420 -4.887 1.00 64.12 H new ATOM 0 HA2 GLY A 10 -19.162 -4.068 -5.370 1.00 53.53 H new ATOM 0 HA3 GLY A 10 -19.084 -2.324 -5.214 1.00 53.53 H new ATOM 129 N GLU A 11 -18.840 -3.935 -2.831 1.00 4.23 N ATOM 130 CA GLU A 11 -18.608 -3.888 -1.398 1.00 20.01 C ATOM 131 C GLU A 11 -18.244 -2.455 -1.003 1.00 20.32 C ATOM 132 O GLU A 11 -17.639 -1.725 -1.797 1.00 13.51 O ATOM 133 CB GLU A 11 -17.437 -4.826 -1.097 1.00 41.54 C ATOM 134 CG GLU A 11 -17.347 -5.275 0.349 1.00 32.34 C ATOM 135 CD GLU A 11 -16.944 -6.748 0.496 1.00 2.24 C ATOM 136 OE1 GLU A 11 -17.547 -7.640 -0.149 1.00 41.30 O ATOM 137 OE2 GLU A 11 -16.004 -7.046 1.265 1.00 31.14 O ATOM 0 H GLU A 11 -18.146 -4.494 -3.327 1.00 4.23 H new ATOM 0 HA GLU A 11 -19.493 -4.193 -0.840 1.00 20.01 H new ATOM 0 HB2 GLU A 11 -17.521 -5.707 -1.733 1.00 41.54 H new ATOM 0 HB3 GLU A 11 -16.508 -4.325 -1.367 1.00 41.54 H new ATOM 0 HG2 GLU A 11 -16.622 -4.652 0.873 1.00 32.34 H new ATOM 0 HG3 GLU A 11 -18.311 -5.118 0.833 1.00 32.34 H new ATOM 144 N ASP A 12 -18.572 -2.049 0.221 1.00 32.14 N ATOM 145 CA ASP A 12 -18.290 -0.684 0.658 1.00 22.11 C ATOM 146 C ASP A 12 -16.791 -0.435 0.827 1.00 3.34 C ATOM 147 O ASP A 12 -16.010 -1.354 1.111 1.00 55.23 O ATOM 148 CB ASP A 12 -18.980 -0.377 1.984 1.00 31.12 C ATOM 149 CG ASP A 12 -18.834 1.097 2.353 1.00 34.30 C ATOM 150 OD1 ASP A 12 -19.099 1.936 1.462 1.00 34.41 O ATOM 151 OD2 ASP A 12 -18.281 1.359 3.445 1.00 70.12 O ATOM 0 H ASP A 12 -19.027 -2.636 0.920 1.00 32.14 H new ATOM 0 HA ASP A 12 -18.675 -0.029 -0.123 1.00 22.11 H new ATOM 0 HB2 ASP A 12 -20.037 -0.635 1.915 1.00 31.12 H new ATOM 0 HB3 ASP A 12 -18.551 -0.996 2.772 1.00 31.12 H new ATOM 156 N PHE A 13 -16.400 0.838 0.756 1.00 52.13 N ATOM 157 CA PHE A 13 -15.041 1.283 1.008 1.00 21.44 C ATOM 158 C PHE A 13 -14.571 0.951 2.421 1.00 61.04 C ATOM 159 O PHE A 13 -13.383 0.706 2.625 1.00 53.53 O ATOM 160 CB PHE A 13 -14.935 2.794 0.777 1.00 51.11 C ATOM 161 CG PHE A 13 -15.763 3.666 1.714 1.00 52.45 C ATOM 162 CD1 PHE A 13 -15.285 4.004 2.997 1.00 21.20 C ATOM 163 CD2 PHE A 13 -17.023 4.140 1.305 1.00 2.34 C ATOM 164 CE1 PHE A 13 -16.080 4.751 3.882 1.00 72.04 C ATOM 165 CE2 PHE A 13 -17.815 4.893 2.188 1.00 54.55 C ATOM 166 CZ PHE A 13 -17.353 5.185 3.481 1.00 71.21 C ATOM 0 H PHE A 13 -17.036 1.599 0.517 1.00 52.13 H new ATOM 0 HA PHE A 13 -14.395 0.748 0.312 1.00 21.44 H new ATOM 0 HB2 PHE A 13 -13.889 3.085 0.870 1.00 51.11 H new ATOM 0 HB3 PHE A 13 -15.235 3.008 -0.249 1.00 51.11 H new ATOM 0 HD1 PHE A 13 -14.299 3.686 3.302 1.00 21.20 H new ATOM 0 HD2 PHE A 13 -17.382 3.924 0.310 1.00 2.34 H new ATOM 0 HE1 PHE A 13 -15.712 4.991 4.869 1.00 72.04 H new ATOM 0 HE2 PHE A 13 -18.784 5.249 1.870 1.00 54.55 H new ATOM 0 HZ PHE A 13 -17.976 5.742 4.165 1.00 71.21 H new ATOM 176 N LYS A 14 -15.451 0.953 3.419 1.00 70.04 N ATOM 177 CA LYS A 14 -15.079 0.574 4.772 1.00 70.22 C ATOM 178 C LYS A 14 -15.280 -0.927 4.942 1.00 4.51 C ATOM 179 O LYS A 14 -14.451 -1.545 5.592 1.00 43.11 O ATOM 180 CB LYS A 14 -15.878 1.402 5.783 1.00 62.44 C ATOM 181 CG LYS A 14 -15.213 1.481 7.163 1.00 45.13 C ATOM 182 CD LYS A 14 -13.979 2.399 7.236 1.00 21.22 C ATOM 183 CE LYS A 14 -13.530 2.609 8.693 1.00 70.01 C ATOM 184 NZ LYS A 14 -12.884 1.421 9.294 1.00 50.21 N ATOM 0 H LYS A 14 -16.431 1.215 3.311 1.00 70.04 H new ATOM 0 HA LYS A 14 -14.026 0.787 4.956 1.00 70.22 H new ATOM 0 HB2 LYS A 14 -16.010 2.411 5.393 1.00 62.44 H new ATOM 0 HB3 LYS A 14 -16.873 0.970 5.891 1.00 62.44 H new ATOM 0 HG2 LYS A 14 -15.950 1.830 7.886 1.00 45.13 H new ATOM 0 HG3 LYS A 14 -14.919 0.476 7.467 1.00 45.13 H new ATOM 0 HD2 LYS A 14 -13.163 1.963 6.660 1.00 21.22 H new ATOM 0 HD3 LYS A 14 -14.211 3.362 6.781 1.00 21.22 H new ATOM 0 HE2 LYS A 14 -12.835 3.448 8.732 1.00 70.01 H new ATOM 0 HE3 LYS A 14 -14.396 2.884 9.295 1.00 70.01 H new ATOM 0 HZ1 LYS A 14 -12.563 1.650 10.256 1.00 50.21 H new ATOM 0 HZ2 LYS A 14 -13.567 0.638 9.334 1.00 50.21 H new ATOM 0 HZ3 LYS A 14 -12.068 1.139 8.714 1.00 50.21 H new ATOM 198 N SER A 15 -16.269 -1.542 4.279 1.00 53.23 N ATOM 199 CA SER A 15 -16.497 -2.988 4.326 1.00 74.40 C ATOM 200 C SER A 15 -15.201 -3.748 4.061 1.00 14.45 C ATOM 201 O SER A 15 -14.870 -4.668 4.819 1.00 42.20 O ATOM 202 CB SER A 15 -17.551 -3.427 3.301 1.00 52.11 C ATOM 203 OG SER A 15 -18.018 -4.742 3.505 1.00 61.42 O ATOM 0 H SER A 15 -16.937 -1.044 3.691 1.00 53.23 H new ATOM 0 HA SER A 15 -16.861 -3.220 5.327 1.00 74.40 H new ATOM 0 HB2 SER A 15 -18.396 -2.739 3.342 1.00 52.11 H new ATOM 0 HB3 SER A 15 -17.127 -3.351 2.300 1.00 52.11 H new ATOM 0 HG SER A 15 -18.794 -4.906 2.930 1.00 61.42 H new ATOM 209 N PHE A 16 -14.456 -3.391 3.006 1.00 43.20 N ATOM 210 CA PHE A 16 -13.195 -4.079 2.772 1.00 41.13 C ATOM 211 C PHE A 16 -12.156 -3.662 3.818 1.00 40.10 C ATOM 212 O PHE A 16 -11.537 -4.540 4.426 1.00 34.41 O ATOM 213 CB PHE A 16 -12.723 -3.945 1.321 1.00 71.31 C ATOM 214 CG PHE A 16 -11.809 -2.781 1.041 1.00 15.34 C ATOM 215 CD1 PHE A 16 -12.341 -1.501 0.813 1.00 1.11 C ATOM 216 CD2 PHE A 16 -10.417 -2.977 1.079 1.00 60.42 C ATOM 217 CE1 PHE A 16 -11.468 -0.416 0.622 1.00 14.32 C ATOM 218 CE2 PHE A 16 -9.555 -1.890 0.897 1.00 62.02 C ATOM 219 CZ PHE A 16 -10.076 -0.608 0.662 1.00 75.41 C ATOM 0 H PHE A 16 -14.695 -2.663 2.333 1.00 43.20 H new ATOM 0 HA PHE A 16 -13.349 -5.150 2.906 1.00 41.13 H new ATOM 0 HB2 PHE A 16 -12.209 -4.864 1.038 1.00 71.31 H new ATOM 0 HB3 PHE A 16 -13.599 -3.859 0.679 1.00 71.31 H new ATOM 0 HD1 PHE A 16 -13.410 -1.352 0.785 1.00 1.11 H new ATOM 0 HD2 PHE A 16 -10.014 -3.965 1.248 1.00 60.42 H new ATOM 0 HE1 PHE A 16 -11.869 0.571 0.443 1.00 14.32 H new ATOM 0 HE2 PHE A 16 -8.486 -2.038 0.937 1.00 62.02 H new ATOM 0 HZ PHE A 16 -9.409 0.228 0.512 1.00 75.41 H new ATOM 229 N LEU A 17 -11.994 -2.350 4.054 1.00 33.33 N ATOM 230 CA LEU A 17 -10.912 -1.796 4.870 1.00 4.31 C ATOM 231 C LEU A 17 -10.958 -2.366 6.293 1.00 60.12 C ATOM 232 O LEU A 17 -9.934 -2.739 6.862 1.00 41.41 O ATOM 233 CB LEU A 17 -10.987 -0.261 4.884 1.00 30.31 C ATOM 234 CG LEU A 17 -9.645 0.493 5.027 1.00 22.42 C ATOM 235 CD1 LEU A 17 -8.752 -0.010 6.157 1.00 2.43 C ATOM 236 CD2 LEU A 17 -8.836 0.456 3.728 1.00 51.32 C ATOM 0 H LEU A 17 -12.621 -1.639 3.677 1.00 33.33 H new ATOM 0 HA LEU A 17 -9.959 -2.086 4.428 1.00 4.31 H new ATOM 0 HB2 LEU A 17 -11.465 0.066 3.961 1.00 30.31 H new ATOM 0 HB3 LEU A 17 -11.638 0.041 5.705 1.00 30.31 H new ATOM 0 HG LEU A 17 -9.943 1.513 5.270 1.00 22.42 H new ATOM 0 HD11 LEU A 17 -7.833 0.576 6.183 1.00 2.43 H new ATOM 0 HD12 LEU A 17 -9.275 0.093 7.108 1.00 2.43 H new ATOM 0 HD13 LEU A 17 -8.509 -1.059 5.989 1.00 2.43 H new ATOM 0 HD21 LEU A 17 -7.900 0.996 3.867 1.00 51.32 H new ATOM 0 HD22 LEU A 17 -8.622 -0.579 3.462 1.00 51.32 H new ATOM 0 HD23 LEU A 17 -9.410 0.925 2.929 1.00 51.32 H new ATOM 248 N ASP A 18 -12.166 -2.506 6.839 1.00 53.54 N ATOM 249 CA ASP A 18 -12.450 -2.991 8.184 1.00 73.04 C ATOM 250 C ASP A 18 -11.773 -4.330 8.438 1.00 40.20 C ATOM 251 O ASP A 18 -11.250 -4.551 9.524 1.00 21.34 O ATOM 252 CB ASP A 18 -13.963 -3.179 8.393 1.00 60.22 C ATOM 253 CG ASP A 18 -14.745 -1.892 8.665 1.00 23.03 C ATOM 254 OD1 ASP A 18 -14.173 -0.973 9.283 1.00 70.03 O ATOM 255 OD2 ASP A 18 -15.946 -1.835 8.286 1.00 73.24 O ATOM 0 H ASP A 18 -13.015 -2.271 6.326 1.00 53.54 H new ATOM 0 HA ASP A 18 -12.066 -2.243 8.877 1.00 73.04 H new ATOM 0 HB2 ASP A 18 -14.380 -3.659 7.507 1.00 60.22 H new ATOM 0 HB3 ASP A 18 -14.117 -3.863 9.228 1.00 60.22 H new ATOM 260 N LYS A 19 -11.784 -5.253 7.472 1.00 41.21 N ATOM 261 CA LYS A 19 -11.082 -6.511 7.596 1.00 20.11 C ATOM 262 C LYS A 19 -9.654 -6.398 7.096 1.00 31.31 C ATOM 263 O LYS A 19 -8.802 -7.149 7.568 1.00 74.14 O ATOM 264 CB LYS A 19 -11.788 -7.547 6.746 1.00 32.31 C ATOM 265 CG LYS A 19 -13.159 -7.961 7.285 1.00 3.44 C ATOM 266 CD LYS A 19 -13.446 -9.343 6.706 1.00 12.45 C ATOM 267 CE LYS A 19 -14.921 -9.706 6.772 1.00 21.45 C ATOM 268 NZ LYS A 19 -15.112 -11.051 6.211 1.00 74.02 N ATOM 0 H LYS A 19 -12.281 -5.139 6.589 1.00 41.21 H new ATOM 0 HA LYS A 19 -11.071 -6.792 8.649 1.00 20.11 H new ATOM 0 HB2 LYS A 19 -11.909 -7.154 5.737 1.00 32.31 H new ATOM 0 HB3 LYS A 19 -11.156 -8.432 6.670 1.00 32.31 H new ATOM 0 HG2 LYS A 19 -13.156 -7.989 8.375 1.00 3.44 H new ATOM 0 HG3 LYS A 19 -13.926 -7.247 6.986 1.00 3.44 H new ATOM 0 HD2 LYS A 19 -13.113 -9.375 5.669 1.00 12.45 H new ATOM 0 HD3 LYS A 19 -12.867 -10.089 7.250 1.00 12.45 H new ATOM 0 HE2 LYS A 19 -15.269 -9.676 7.804 1.00 21.45 H new ATOM 0 HE3 LYS A 19 -15.512 -8.979 6.215 1.00 21.45 H new ATOM 0 HZ1 LYS A 19 -16.120 -11.305 6.253 1.00 74.02 H new ATOM 0 HZ2 LYS A 19 -14.793 -11.063 5.221 1.00 74.02 H new ATOM 0 HZ3 LYS A 19 -14.558 -11.738 6.761 1.00 74.02 H new ATOM 282 N PHE A 20 -9.384 -5.513 6.137 1.00 31.02 N ATOM 283 CA PHE A 20 -8.071 -5.347 5.544 1.00 63.34 C ATOM 284 C PHE A 20 -7.033 -5.017 6.612 1.00 53.11 C ATOM 285 O PHE A 20 -5.912 -5.513 6.514 1.00 33.25 O ATOM 286 CB PHE A 20 -8.130 -4.282 4.444 1.00 42.44 C ATOM 287 CG PHE A 20 -6.806 -3.966 3.788 1.00 42.51 C ATOM 288 CD1 PHE A 20 -5.981 -2.980 4.358 1.00 54.11 C ATOM 289 CD2 PHE A 20 -6.392 -4.641 2.625 1.00 62.40 C ATOM 290 CE1 PHE A 20 -4.737 -2.685 3.788 1.00 33.25 C ATOM 291 CE2 PHE A 20 -5.139 -4.352 2.058 1.00 41.24 C ATOM 292 CZ PHE A 20 -4.316 -3.369 2.636 1.00 51.14 C ATOM 0 H PHE A 20 -10.087 -4.884 5.749 1.00 31.02 H new ATOM 0 HA PHE A 20 -7.761 -6.285 5.084 1.00 63.34 H new ATOM 0 HB2 PHE A 20 -8.829 -4.613 3.676 1.00 42.44 H new ATOM 0 HB3 PHE A 20 -8.536 -3.364 4.870 1.00 42.44 H new ATOM 0 HD1 PHE A 20 -6.309 -2.448 5.239 1.00 54.11 H new ATOM 0 HD2 PHE A 20 -7.035 -5.379 2.169 1.00 62.40 H new ATOM 0 HE1 PHE A 20 -4.102 -1.933 4.233 1.00 33.25 H new ATOM 0 HE2 PHE A 20 -4.808 -4.885 1.179 1.00 41.24 H new ATOM 0 HZ PHE A 20 -3.358 -3.140 2.193 1.00 51.14 H new ATOM 302 N THR A 21 -7.378 -4.253 7.654 1.00 71.44 N ATOM 303 CA THR A 21 -6.432 -3.977 8.733 1.00 20.14 C ATOM 304 C THR A 21 -6.476 -5.050 9.836 1.00 75.43 C ATOM 305 O THR A 21 -5.649 -5.007 10.743 1.00 32.23 O ATOM 306 CB THR A 21 -6.634 -2.558 9.282 1.00 20.24 C ATOM 307 OG1 THR A 21 -7.955 -2.333 9.725 1.00 42.10 O ATOM 308 CG2 THR A 21 -6.277 -1.500 8.234 1.00 33.41 C ATOM 0 H THR A 21 -8.295 -3.821 7.770 1.00 71.44 H new ATOM 0 HA THR A 21 -5.427 -4.025 8.315 1.00 20.14 H new ATOM 0 HB THR A 21 -5.963 -2.471 10.137 1.00 20.24 H new ATOM 0 HG1 THR A 21 -7.939 -2.010 10.650 1.00 42.10 H new ATOM 0 HG21 THR A 21 -6.431 -0.506 8.654 1.00 33.41 H new ATOM 0 HG22 THR A 21 -5.233 -1.614 7.943 1.00 33.41 H new ATOM 0 HG23 THR A 21 -6.913 -1.626 7.358 1.00 33.41 H new ATOM 316 N SER A 22 -7.370 -6.042 9.746 1.00 23.45 N ATOM 317 CA SER A 22 -7.614 -7.083 10.746 1.00 41.30 C ATOM 318 C SER A 22 -7.580 -8.497 10.120 1.00 1.53 C ATOM 319 O SER A 22 -8.397 -9.345 10.486 1.00 40.41 O ATOM 320 CB SER A 22 -8.968 -6.822 11.438 1.00 54.12 C ATOM 321 OG SER A 22 -9.178 -5.474 11.829 1.00 1.11 O ATOM 0 H SER A 22 -7.973 -6.144 8.930 1.00 23.45 H new ATOM 0 HA SER A 22 -6.815 -7.044 11.487 1.00 41.30 H new ATOM 0 HB2 SER A 22 -9.770 -7.121 10.763 1.00 54.12 H new ATOM 0 HB3 SER A 22 -9.040 -7.458 12.320 1.00 54.12 H new ATOM 0 HG SER A 22 -9.790 -5.042 11.197 1.00 1.11 H new ATOM 327 N SER A 23 -6.724 -8.756 9.120 1.00 21.41 N ATOM 328 CA SER A 23 -6.429 -10.103 8.613 1.00 15.51 C ATOM 329 C SER A 23 -5.196 -10.107 7.687 1.00 2.44 C ATOM 330 O SER A 23 -5.320 -9.871 6.482 1.00 32.01 O ATOM 331 CB SER A 23 -7.666 -10.734 7.936 1.00 1.41 C ATOM 332 OG SER A 23 -8.436 -9.820 7.158 1.00 72.04 O ATOM 0 H SER A 23 -6.209 -8.022 8.633 1.00 21.41 H new ATOM 0 HA SER A 23 -6.179 -10.728 9.470 1.00 15.51 H new ATOM 0 HB2 SER A 23 -7.338 -11.552 7.295 1.00 1.41 H new ATOM 0 HB3 SER A 23 -8.305 -11.168 8.705 1.00 1.41 H new ATOM 0 HG SER A 23 -8.431 -8.940 7.588 1.00 72.04 H new ATOM 338 N ALA A 24 -4.006 -10.411 8.225 1.00 74.44 N ATOM 339 CA ALA A 24 -2.736 -10.497 7.499 1.00 72.34 C ATOM 340 C ALA A 24 -2.882 -11.365 6.254 1.00 31.42 C ATOM 341 O ALA A 24 -2.597 -10.914 5.143 1.00 42.53 O ATOM 342 CB ALA A 24 -1.633 -11.077 8.393 1.00 34.42 C ATOM 0 H ALA A 24 -3.901 -10.612 9.220 1.00 74.44 H new ATOM 0 HA ALA A 24 -2.459 -9.486 7.201 1.00 72.34 H new ATOM 0 HB1 ALA A 24 -0.700 -11.131 7.832 1.00 34.42 H new ATOM 0 HB2 ALA A 24 -1.496 -10.436 9.264 1.00 34.42 H new ATOM 0 HB3 ALA A 24 -1.918 -12.077 8.720 1.00 34.42 H new ATOM 348 N ALA A 25 -3.348 -12.607 6.427 1.00 24.14 N ATOM 349 CA ALA A 25 -3.455 -13.581 5.346 1.00 14.41 C ATOM 350 C ALA A 25 -4.357 -13.105 4.198 1.00 4.12 C ATOM 351 O ALA A 25 -4.294 -13.644 3.091 1.00 32.35 O ATOM 352 CB ALA A 25 -3.989 -14.900 5.896 1.00 60.32 C ATOM 0 H ALA A 25 -3.663 -12.963 7.330 1.00 24.14 H new ATOM 0 HA ALA A 25 -2.454 -13.712 4.936 1.00 14.41 H new ATOM 0 HB1 ALA A 25 -4.068 -15.626 5.087 1.00 60.32 H new ATOM 0 HB2 ALA A 25 -3.308 -15.279 6.658 1.00 60.32 H new ATOM 0 HB3 ALA A 25 -4.973 -14.739 6.336 1.00 60.32 H new ATOM 358 N PHE A 26 -5.202 -12.104 4.442 1.00 21.21 N ATOM 359 CA PHE A 26 -6.174 -11.598 3.503 1.00 64.24 C ATOM 360 C PHE A 26 -5.754 -10.265 2.890 1.00 31.05 C ATOM 361 O PHE A 26 -6.351 -9.849 1.897 1.00 24.44 O ATOM 362 CB PHE A 26 -7.520 -11.485 4.199 1.00 11.32 C ATOM 363 CG PHE A 26 -8.251 -12.804 4.340 1.00 2.54 C ATOM 364 CD1 PHE A 26 -7.966 -13.669 5.415 1.00 14.11 C ATOM 365 CD2 PHE A 26 -9.234 -13.157 3.398 1.00 72.34 C ATOM 366 CE1 PHE A 26 -8.683 -14.868 5.562 1.00 14.43 C ATOM 367 CE2 PHE A 26 -9.936 -14.366 3.535 1.00 21.12 C ATOM 368 CZ PHE A 26 -9.675 -15.211 4.628 1.00 42.12 C ATOM 0 H PHE A 26 -5.220 -11.612 5.335 1.00 21.21 H new ATOM 0 HA PHE A 26 -6.248 -12.300 2.672 1.00 64.24 H new ATOM 0 HB2 PHE A 26 -7.371 -11.056 5.190 1.00 11.32 H new ATOM 0 HB3 PHE A 26 -8.149 -10.790 3.642 1.00 11.32 H new ATOM 0 HD1 PHE A 26 -7.196 -13.410 6.126 1.00 14.11 H new ATOM 0 HD2 PHE A 26 -9.449 -12.499 2.569 1.00 72.34 H new ATOM 0 HE1 PHE A 26 -8.472 -15.526 6.392 1.00 14.43 H new ATOM 0 HE2 PHE A 26 -10.676 -14.647 2.801 1.00 21.12 H new ATOM 0 HZ PHE A 26 -10.238 -16.125 4.750 1.00 42.12 H new ATOM 378 N GLN A 27 -4.738 -9.574 3.419 1.00 34.02 N ATOM 379 CA GLN A 27 -4.116 -8.462 2.699 1.00 15.23 C ATOM 380 C GLN A 27 -3.661 -8.990 1.339 1.00 11.11 C ATOM 381 O GLN A 27 -4.086 -8.494 0.295 1.00 2.24 O ATOM 382 CB GLN A 27 -2.948 -7.866 3.492 1.00 62.40 C ATOM 383 CG GLN A 27 -3.393 -7.186 4.795 1.00 31.32 C ATOM 384 CD GLN A 27 -2.217 -6.543 5.527 1.00 75.14 C ATOM 385 OE1 GLN A 27 -1.238 -6.145 4.915 1.00 44.33 O ATOM 386 NE2 GLN A 27 -2.263 -6.476 6.842 1.00 21.45 N ATOM 0 H GLN A 27 -4.333 -9.764 4.336 1.00 34.02 H new ATOM 0 HA GLN A 27 -4.833 -7.653 2.564 1.00 15.23 H new ATOM 0 HB2 GLN A 27 -2.234 -8.656 3.726 1.00 62.40 H new ATOM 0 HB3 GLN A 27 -2.426 -7.139 2.869 1.00 62.40 H new ATOM 0 HG2 GLN A 27 -4.142 -6.426 4.572 1.00 31.32 H new ATOM 0 HG3 GLN A 27 -3.868 -7.921 5.445 1.00 31.32 H new ATOM 0 HE21 GLN A 27 -3.087 -6.812 7.341 1.00 21.45 H new ATOM 0 HE22 GLN A 27 -1.475 -6.088 7.361 1.00 21.45 H new ATOM 395 N TYR A 28 -2.909 -10.095 1.361 1.00 54.52 N ATOM 396 CA TYR A 28 -2.394 -10.770 0.181 1.00 4.31 C ATOM 397 C TYR A 28 -3.484 -11.124 -0.841 1.00 15.15 C ATOM 398 O TYR A 28 -3.226 -11.075 -2.043 1.00 55.41 O ATOM 399 CB TYR A 28 -1.668 -12.049 0.613 1.00 31.11 C ATOM 400 CG TYR A 28 -0.660 -11.908 1.740 1.00 73.42 C ATOM 401 CD1 TYR A 28 0.484 -11.112 1.570 1.00 3.13 C ATOM 402 CD2 TYR A 28 -0.836 -12.625 2.936 1.00 74.32 C ATOM 403 CE1 TYR A 28 1.497 -11.109 2.546 1.00 15.54 C ATOM 404 CE2 TYR A 28 0.156 -12.604 3.933 1.00 14.12 C ATOM 405 CZ TYR A 28 1.346 -11.875 3.723 1.00 24.22 C ATOM 406 OH TYR A 28 2.354 -11.931 4.639 1.00 62.31 O ATOM 0 H TYR A 28 -2.637 -10.553 2.231 1.00 54.52 H new ATOM 0 HA TYR A 28 -1.713 -10.077 -0.313 1.00 4.31 H new ATOM 0 HB2 TYR A 28 -2.417 -12.781 0.915 1.00 31.11 H new ATOM 0 HB3 TYR A 28 -1.153 -12.459 -0.256 1.00 31.11 H new ATOM 0 HD1 TYR A 28 0.587 -10.500 0.686 1.00 3.13 H new ATOM 0 HD2 TYR A 28 -1.739 -13.196 3.091 1.00 74.32 H new ATOM 0 HE1 TYR A 28 2.390 -10.521 2.395 1.00 15.54 H new ATOM 0 HE2 TYR A 28 0.007 -13.144 4.856 1.00 14.12 H new ATOM 0 HH TYR A 28 2.083 -12.501 5.389 1.00 62.31 H new ATOM 416 N THR A 29 -4.695 -11.489 -0.407 1.00 15.11 N ATOM 417 CA THR A 29 -5.732 -11.981 -1.311 1.00 20.01 C ATOM 418 C THR A 29 -6.529 -10.850 -1.970 1.00 1.15 C ATOM 419 O THR A 29 -7.387 -11.123 -2.811 1.00 75.20 O ATOM 420 CB THR A 29 -6.643 -12.988 -0.586 1.00 20.04 C ATOM 421 OG1 THR A 29 -7.277 -12.412 0.534 1.00 40.50 O ATOM 422 CG2 THR A 29 -5.841 -14.188 -0.078 1.00 4.43 C ATOM 0 H THR A 29 -4.979 -11.451 0.572 1.00 15.11 H new ATOM 0 HA THR A 29 -5.234 -12.502 -2.128 1.00 20.01 H new ATOM 0 HB THR A 29 -7.388 -13.299 -1.319 1.00 20.04 H new ATOM 0 HG1 THR A 29 -6.905 -11.520 0.698 1.00 40.50 H new ATOM 0 HG21 THR A 29 -6.509 -14.883 0.430 1.00 4.43 H new ATOM 0 HG22 THR A 29 -5.366 -14.691 -0.920 1.00 4.43 H new ATOM 0 HG23 THR A 29 -5.076 -13.846 0.619 1.00 4.43 H new ATOM 430 N ARG A 30 -6.266 -9.581 -1.635 1.00 74.11 N ATOM 431 CA ARG A 30 -7.021 -8.443 -2.148 1.00 33.11 C ATOM 432 C ARG A 30 -6.062 -7.458 -2.798 1.00 63.31 C ATOM 433 O ARG A 30 -6.052 -6.288 -2.424 1.00 55.10 O ATOM 434 CB ARG A 30 -7.823 -7.777 -1.016 1.00 20.01 C ATOM 435 CG ARG A 30 -8.854 -8.665 -0.317 1.00 54.53 C ATOM 436 CD ARG A 30 -9.678 -7.770 0.621 1.00 14.15 C ATOM 437 NE ARG A 30 -10.136 -8.482 1.820 1.00 72.21 N ATOM 438 CZ ARG A 30 -11.122 -9.376 1.915 1.00 61.33 C ATOM 439 NH1 ARG A 30 -11.845 -9.705 0.850 1.00 74.03 N ATOM 440 NH2 ARG A 30 -11.357 -9.932 3.094 1.00 61.30 N ATOM 0 H ARG A 30 -5.516 -9.318 -0.995 1.00 74.11 H new ATOM 0 HA ARG A 30 -7.734 -8.785 -2.898 1.00 33.11 H new ATOM 0 HB2 ARG A 30 -7.121 -7.409 -0.267 1.00 20.01 H new ATOM 0 HB3 ARG A 30 -8.338 -6.908 -1.424 1.00 20.01 H new ATOM 0 HG2 ARG A 30 -9.500 -9.150 -1.049 1.00 54.53 H new ATOM 0 HG3 ARG A 30 -8.359 -9.456 0.246 1.00 54.53 H new ATOM 0 HD2 ARG A 30 -9.076 -6.912 0.920 1.00 14.15 H new ATOM 0 HD3 ARG A 30 -10.542 -7.382 0.081 1.00 14.15 H new ATOM 0 HE ARG A 30 -9.641 -8.267 2.685 1.00 72.21 H new ATOM 0 HH11 ARG A 30 -11.649 -9.273 -0.053 1.00 74.03 H new ATOM 0 HH12 ARG A 30 -12.596 -10.390 0.935 1.00 74.03 H new ATOM 0 HH21 ARG A 30 -10.790 -9.674 3.902 1.00 61.30 H new ATOM 0 HH22 ARG A 30 -12.105 -10.618 3.194 1.00 61.30 H new ATOM 454 N VAL A 31 -5.229 -7.898 -3.738 1.00 4.33 N ATOM 455 CA VAL A 31 -4.262 -7.064 -4.437 1.00 73.44 C ATOM 456 C VAL A 31 -3.955 -7.638 -5.818 1.00 33.12 C ATOM 457 O VAL A 31 -3.842 -8.858 -5.955 1.00 52.44 O ATOM 458 CB VAL A 31 -3.034 -6.876 -3.533 1.00 33.34 C ATOM 459 CG1 VAL A 31 -2.516 -8.126 -2.826 1.00 22.54 C ATOM 460 CG2 VAL A 31 -1.896 -6.176 -4.287 1.00 72.32 C ATOM 0 H VAL A 31 -5.210 -8.872 -4.041 1.00 4.33 H new ATOM 0 HA VAL A 31 -4.666 -6.071 -4.634 1.00 73.44 H new ATOM 0 HB VAL A 31 -3.403 -6.242 -2.727 1.00 33.34 H new ATOM 0 HG11 VAL A 31 -1.649 -7.867 -2.218 1.00 22.54 H new ATOM 0 HG12 VAL A 31 -3.299 -8.533 -2.186 1.00 22.54 H new ATOM 0 HG13 VAL A 31 -2.230 -8.871 -3.568 1.00 22.54 H new ATOM 0 HG21 VAL A 31 -1.040 -6.056 -3.623 1.00 72.32 H new ATOM 0 HG22 VAL A 31 -1.606 -6.778 -5.148 1.00 72.32 H new ATOM 0 HG23 VAL A 31 -2.233 -5.196 -4.626 1.00 72.32 H new ATOM 470 N LYS A 32 -3.875 -6.783 -6.845 1.00 73.22 N ATOM 471 CA LYS A 32 -3.502 -7.200 -8.201 1.00 11.43 C ATOM 472 C LYS A 32 -1.987 -7.160 -8.312 1.00 62.31 C ATOM 473 O LYS A 32 -1.339 -6.430 -7.570 1.00 41.11 O ATOM 474 CB LYS A 32 -4.075 -6.236 -9.255 1.00 40.20 C ATOM 475 CG LYS A 32 -5.566 -6.426 -9.554 1.00 34.32 C ATOM 476 CD LYS A 32 -5.883 -7.793 -10.190 1.00 53.32 C ATOM 477 CE LYS A 32 -6.733 -7.644 -11.457 1.00 32.55 C ATOM 478 NZ LYS A 32 -6.897 -8.937 -12.154 1.00 52.44 N ATOM 0 H LYS A 32 -4.067 -5.785 -6.759 1.00 73.22 H new ATOM 0 HA LYS A 32 -3.897 -8.200 -8.379 1.00 11.43 H new ATOM 0 HB2 LYS A 32 -3.914 -5.212 -8.917 1.00 40.20 H new ATOM 0 HB3 LYS A 32 -3.514 -6.358 -10.182 1.00 40.20 H new ATOM 0 HG2 LYS A 32 -6.133 -6.322 -8.629 1.00 34.32 H new ATOM 0 HG3 LYS A 32 -5.901 -5.634 -10.224 1.00 34.32 H new ATOM 0 HD2 LYS A 32 -4.953 -8.306 -10.434 1.00 53.32 H new ATOM 0 HD3 LYS A 32 -6.411 -8.417 -9.469 1.00 53.32 H new ATOM 0 HE2 LYS A 32 -7.712 -7.244 -11.194 1.00 32.55 H new ATOM 0 HE3 LYS A 32 -6.264 -6.924 -12.128 1.00 32.55 H new ATOM 0 HZ1 LYS A 32 -7.477 -8.801 -13.007 1.00 52.44 H new ATOM 0 HZ2 LYS A 32 -5.963 -9.306 -12.426 1.00 52.44 H new ATOM 0 HZ3 LYS A 32 -7.366 -9.616 -11.521 1.00 52.44 H new ATOM 492 N PHE A 33 -1.436 -7.877 -9.287 1.00 75.14 N ATOM 493 CA PHE A 33 -0.056 -7.705 -9.728 1.00 20.13 C ATOM 494 C PHE A 33 -0.029 -7.773 -11.260 1.00 2.32 C ATOM 495 O PHE A 33 -0.861 -8.495 -11.820 1.00 71.51 O ATOM 496 CB PHE A 33 0.865 -8.746 -9.078 1.00 40.04 C ATOM 497 CG PHE A 33 1.105 -8.451 -7.612 1.00 14.33 C ATOM 498 CD1 PHE A 33 2.128 -7.562 -7.228 1.00 23.21 C ATOM 499 CD2 PHE A 33 0.224 -8.958 -6.639 1.00 73.53 C ATOM 500 CE1 PHE A 33 2.248 -7.159 -5.890 1.00 34.15 C ATOM 501 CE2 PHE A 33 0.324 -8.524 -5.309 1.00 2.45 C ATOM 502 CZ PHE A 33 1.318 -7.600 -4.938 1.00 42.11 C ATOM 0 H PHE A 33 -1.941 -8.601 -9.798 1.00 75.14 H new ATOM 0 HA PHE A 33 0.323 -6.733 -9.412 1.00 20.13 H new ATOM 0 HB2 PHE A 33 0.423 -9.737 -9.181 1.00 40.04 H new ATOM 0 HB3 PHE A 33 1.819 -8.766 -9.605 1.00 40.04 H new ATOM 0 HD1 PHE A 33 2.822 -7.189 -7.967 1.00 23.21 H new ATOM 0 HD2 PHE A 33 -0.529 -9.681 -6.916 1.00 73.53 H new ATOM 0 HE1 PHE A 33 3.057 -6.509 -5.593 1.00 34.15 H new ATOM 0 HE2 PHE A 33 -0.365 -8.900 -4.567 1.00 2.45 H new ATOM 0 HZ PHE A 33 1.364 -7.232 -3.924 1.00 42.11 H new ATOM 512 N PRO A 34 0.886 -7.066 -11.950 1.00 3.02 N ATOM 513 CA PRO A 34 1.871 -6.134 -11.400 1.00 64.42 C ATOM 514 C PRO A 34 1.208 -4.916 -10.749 1.00 52.42 C ATOM 515 O PRO A 34 0.005 -4.696 -10.908 1.00 32.24 O ATOM 516 CB PRO A 34 2.736 -5.719 -12.594 1.00 44.24 C ATOM 517 CG PRO A 34 1.782 -5.828 -13.778 1.00 31.43 C ATOM 518 CD PRO A 34 0.941 -7.044 -13.402 1.00 52.24 C ATOM 0 HA PRO A 34 2.458 -6.599 -10.608 1.00 64.42 H new ATOM 0 HB2 PRO A 34 3.119 -4.705 -12.479 1.00 44.24 H new ATOM 0 HB3 PRO A 34 3.599 -6.374 -12.712 1.00 44.24 H new ATOM 0 HG2 PRO A 34 1.173 -4.932 -13.894 1.00 31.43 H new ATOM 0 HG3 PRO A 34 2.314 -5.976 -14.718 1.00 31.43 H new ATOM 0 HD2 PRO A 34 -0.060 -6.972 -13.828 1.00 52.24 H new ATOM 0 HD3 PRO A 34 1.387 -7.960 -13.789 1.00 52.24 H new ATOM 526 N LEU A 35 1.998 -4.171 -9.979 1.00 60.52 N ATOM 527 CA LEU A 35 1.611 -2.912 -9.356 1.00 72.15 C ATOM 528 C LEU A 35 2.102 -1.750 -10.208 1.00 22.34 C ATOM 529 O LEU A 35 2.901 -1.938 -11.132 1.00 24.24 O ATOM 530 CB LEU A 35 2.230 -2.773 -7.963 1.00 14.03 C ATOM 531 CG LEU A 35 1.879 -3.878 -6.962 1.00 62.32 C ATOM 532 CD1 LEU A 35 2.694 -3.637 -5.704 1.00 14.32 C ATOM 533 CD2 LEU A 35 0.404 -3.980 -6.588 1.00 44.03 C ATOM 0 H LEU A 35 2.959 -4.439 -9.766 1.00 60.52 H new ATOM 0 HA LEU A 35 0.524 -2.901 -9.271 1.00 72.15 H new ATOM 0 HB2 LEU A 35 3.314 -2.737 -8.070 1.00 14.03 H new ATOM 0 HB3 LEU A 35 1.920 -1.816 -7.542 1.00 14.03 H new ATOM 0 HG LEU A 35 2.113 -4.824 -7.451 1.00 62.32 H new ATOM 0 HD11 LEU A 35 2.466 -4.409 -4.969 1.00 14.32 H new ATOM 0 HD12 LEU A 35 3.756 -3.669 -5.947 1.00 14.32 H new ATOM 0 HD13 LEU A 35 2.446 -2.659 -5.291 1.00 14.32 H new ATOM 0 HD21 LEU A 35 0.265 -4.793 -5.875 1.00 44.03 H new ATOM 0 HD22 LEU A 35 0.077 -3.043 -6.138 1.00 44.03 H new ATOM 0 HD23 LEU A 35 -0.186 -4.178 -7.483 1.00 44.03 H new ATOM 545 N LYS A 36 1.671 -0.538 -9.860 1.00 13.31 N ATOM 546 CA LYS A 36 2.045 0.638 -10.659 1.00 0.32 C ATOM 547 C LYS A 36 3.486 1.039 -10.381 1.00 61.12 C ATOM 548 O LYS A 36 4.180 1.462 -11.307 1.00 44.35 O ATOM 549 CB LYS A 36 1.154 1.871 -10.431 1.00 23.43 C ATOM 550 CG LYS A 36 -0.307 1.631 -10.065 1.00 73.15 C ATOM 551 CD LYS A 36 -1.048 0.770 -11.098 1.00 1.14 C ATOM 552 CE LYS A 36 -2.549 0.872 -10.836 1.00 72.21 C ATOM 553 NZ LYS A 36 -3.318 -0.164 -11.549 1.00 34.54 N ATOM 0 H LYS A 36 1.078 -0.342 -9.053 1.00 13.31 H new ATOM 0 HA LYS A 36 1.911 0.324 -11.694 1.00 0.32 H new ATOM 0 HB2 LYS A 36 1.605 2.469 -9.639 1.00 23.43 H new ATOM 0 HB3 LYS A 36 1.178 2.475 -11.338 1.00 23.43 H new ATOM 0 HG2 LYS A 36 -0.357 1.144 -9.091 1.00 73.15 H new ATOM 0 HG3 LYS A 36 -0.815 2.591 -9.968 1.00 73.15 H new ATOM 0 HD2 LYS A 36 -0.817 1.109 -12.108 1.00 1.14 H new ATOM 0 HD3 LYS A 36 -0.722 -0.268 -11.028 1.00 1.14 H new ATOM 0 HE2 LYS A 36 -2.734 0.785 -9.765 1.00 72.21 H new ATOM 0 HE3 LYS A 36 -2.902 1.857 -11.142 1.00 72.21 H new ATOM 0 HZ1 LYS A 36 -4.330 -0.052 -11.338 1.00 34.54 H new ATOM 0 HZ2 LYS A 36 -3.165 -0.067 -12.573 1.00 34.54 H new ATOM 0 HZ3 LYS A 36 -3.002 -1.105 -11.239 1.00 34.54 H new ATOM 567 N THR A 37 3.931 0.916 -9.134 1.00 55.35 N ATOM 568 CA THR A 37 5.204 1.482 -8.700 1.00 65.53 C ATOM 569 C THR A 37 6.104 0.351 -8.175 1.00 24.31 C ATOM 570 O THR A 37 6.060 0.021 -6.987 1.00 60.51 O ATOM 571 CB THR A 37 4.927 2.613 -7.701 1.00 50.11 C ATOM 572 OG1 THR A 37 3.864 3.419 -8.173 1.00 5.43 O ATOM 573 CG2 THR A 37 6.142 3.515 -7.524 1.00 33.44 C ATOM 0 H THR A 37 3.422 0.424 -8.399 1.00 55.35 H new ATOM 0 HA THR A 37 5.757 1.938 -9.521 1.00 65.53 H new ATOM 0 HB THR A 37 4.678 2.147 -6.748 1.00 50.11 H new ATOM 0 HG1 THR A 37 3.035 3.168 -7.715 1.00 5.43 H new ATOM 0 HG21 THR A 37 5.908 4.304 -6.809 1.00 33.44 H new ATOM 0 HG22 THR A 37 6.981 2.926 -7.153 1.00 33.44 H new ATOM 0 HG23 THR A 37 6.407 3.961 -8.483 1.00 33.44 H new ATOM 581 N PRO A 38 6.843 -0.349 -9.052 1.00 21.10 N ATOM 582 CA PRO A 38 7.666 -1.482 -8.655 1.00 20.52 C ATOM 583 C PRO A 38 8.853 -1.038 -7.798 1.00 62.12 C ATOM 584 O PRO A 38 9.196 0.144 -7.726 1.00 62.44 O ATOM 585 CB PRO A 38 8.135 -2.114 -9.965 1.00 32.21 C ATOM 586 CG PRO A 38 8.135 -0.946 -10.945 1.00 61.25 C ATOM 587 CD PRO A 38 6.964 -0.098 -10.477 1.00 32.12 C ATOM 0 HA PRO A 38 7.108 -2.189 -8.040 1.00 20.52 H new ATOM 0 HB2 PRO A 38 9.127 -2.554 -9.865 1.00 32.21 H new ATOM 0 HB3 PRO A 38 7.464 -2.910 -10.289 1.00 32.21 H new ATOM 0 HG2 PRO A 38 9.073 -0.391 -10.910 1.00 61.25 H new ATOM 0 HG3 PRO A 38 8.002 -1.283 -11.973 1.00 61.25 H new ATOM 0 HD2 PRO A 38 7.142 0.959 -10.675 1.00 32.12 H new ATOM 0 HD3 PRO A 38 6.048 -0.371 -11.002 1.00 32.12 H new ATOM 595 N ILE A 39 9.520 -2.024 -7.196 1.00 3.20 N ATOM 596 CA ILE A 39 10.827 -1.820 -6.601 1.00 14.30 C ATOM 597 C ILE A 39 11.781 -1.586 -7.770 1.00 32.52 C ATOM 598 O ILE A 39 11.957 -2.490 -8.596 1.00 2.40 O ATOM 599 CB ILE A 39 11.248 -3.025 -5.733 1.00 0.13 C ATOM 600 CG1 ILE A 39 10.228 -3.213 -4.590 1.00 31.33 C ATOM 601 CG2 ILE A 39 12.672 -2.825 -5.179 1.00 24.33 C ATOM 602 CD1 ILE A 39 10.425 -4.504 -3.794 1.00 44.43 C ATOM 0 H ILE A 39 9.166 -2.977 -7.111 1.00 3.20 H new ATOM 0 HA ILE A 39 10.831 -0.968 -5.921 1.00 14.30 H new ATOM 0 HB ILE A 39 11.259 -3.926 -6.347 1.00 0.13 H new ATOM 0 HG12 ILE A 39 10.297 -2.364 -3.910 1.00 31.33 H new ATOM 0 HG13 ILE A 39 9.222 -3.205 -5.009 1.00 31.33 H new ATOM 0 HG21 ILE A 39 12.950 -3.685 -4.570 1.00 24.33 H new ATOM 0 HG22 ILE A 39 13.374 -2.725 -6.007 1.00 24.33 H new ATOM 0 HG23 ILE A 39 12.701 -1.923 -4.568 1.00 24.33 H new ATOM 0 HD11 ILE A 39 9.672 -4.566 -3.009 1.00 44.43 H new ATOM 0 HD12 ILE A 39 10.326 -5.361 -4.460 1.00 44.43 H new ATOM 0 HD13 ILE A 39 11.418 -4.507 -3.345 1.00 44.43 H new ATOM 614 N THR A 40 12.360 -0.396 -7.833 1.00 12.02 N ATOM 615 CA THR A 40 13.469 -0.056 -8.695 1.00 75.24 C ATOM 616 C THR A 40 14.692 0.111 -7.789 1.00 22.12 C ATOM 617 O THR A 40 14.625 0.722 -6.718 1.00 32.51 O ATOM 618 CB THR A 40 13.126 1.197 -9.514 1.00 63.32 C ATOM 619 OG1 THR A 40 12.207 0.858 -10.533 1.00 22.21 O ATOM 620 CG2 THR A 40 14.334 1.840 -10.191 1.00 3.30 C ATOM 0 H THR A 40 12.052 0.388 -7.258 1.00 12.02 H new ATOM 0 HA THR A 40 13.685 -0.831 -9.431 1.00 75.24 H new ATOM 0 HB THR A 40 12.715 1.913 -8.802 1.00 63.32 H new ATOM 0 HG1 THR A 40 11.987 1.658 -11.054 1.00 22.21 H new ATOM 0 HG21 THR A 40 14.013 2.719 -10.750 1.00 3.30 H new ATOM 0 HG22 THR A 40 15.060 2.137 -9.434 1.00 3.30 H new ATOM 0 HG23 THR A 40 14.793 1.124 -10.873 1.00 3.30 H new ATOM 628 N LEU A 41 15.825 -0.435 -8.224 1.00 1.32 N ATOM 629 CA LEU A 41 17.133 -0.330 -7.583 1.00 14.32 C ATOM 630 C LEU A 41 18.074 0.205 -8.647 1.00 4.20 C ATOM 631 O LEU A 41 17.909 -0.117 -9.828 1.00 75.54 O ATOM 632 CB LEU A 41 17.623 -1.705 -7.105 1.00 63.31 C ATOM 633 CG LEU A 41 16.613 -2.466 -6.230 1.00 13.33 C ATOM 634 CD1 LEU A 41 17.095 -3.873 -5.915 1.00 60.13 C ATOM 635 CD2 LEU A 41 16.337 -1.774 -4.899 1.00 2.22 C ATOM 0 H LEU A 41 15.857 -0.992 -9.078 1.00 1.32 H new ATOM 0 HA LEU A 41 17.087 0.319 -6.708 1.00 14.32 H new ATOM 0 HB2 LEU A 41 17.864 -2.315 -7.976 1.00 63.31 H new ATOM 0 HB3 LEU A 41 18.547 -1.573 -6.542 1.00 63.31 H new ATOM 0 HG LEU A 41 15.697 -2.493 -6.820 1.00 13.33 H new ATOM 0 HD11 LEU A 41 16.356 -4.381 -5.295 1.00 60.13 H new ATOM 0 HD12 LEU A 41 17.232 -4.427 -6.844 1.00 60.13 H new ATOM 0 HD13 LEU A 41 18.043 -3.822 -5.380 1.00 60.13 H new ATOM 0 HD21 LEU A 41 15.617 -2.359 -4.327 1.00 2.22 H new ATOM 0 HD22 LEU A 41 17.265 -1.688 -4.334 1.00 2.22 H new ATOM 0 HD23 LEU A 41 15.931 -0.779 -5.083 1.00 2.22 H new ATOM 647 N LEU A 42 19.065 0.991 -8.235 1.00 13.01 N ATOM 648 CA LEU A 42 20.137 1.382 -9.127 1.00 12.34 C ATOM 649 C LEU A 42 21.056 0.192 -9.303 1.00 54.02 C ATOM 650 O LEU A 42 21.533 -0.361 -8.313 1.00 2.42 O ATOM 651 CB LEU A 42 20.899 2.601 -8.579 1.00 63.31 C ATOM 652 CG LEU A 42 20.870 3.787 -9.551 1.00 22.41 C ATOM 653 CD1 LEU A 42 21.555 3.460 -10.878 1.00 11.04 C ATOM 654 CD2 LEU A 42 19.437 4.257 -9.806 1.00 32.11 C ATOM 0 H LEU A 42 19.142 1.366 -7.290 1.00 13.01 H new ATOM 0 HA LEU A 42 19.728 1.680 -10.093 1.00 12.34 H new ATOM 0 HB2 LEU A 42 20.462 2.903 -7.627 1.00 63.31 H new ATOM 0 HB3 LEU A 42 21.934 2.321 -8.380 1.00 63.31 H new ATOM 0 HG LEU A 42 21.428 4.594 -9.075 1.00 22.41 H new ATOM 0 HD11 LEU A 42 21.510 4.329 -11.534 1.00 11.04 H new ATOM 0 HD12 LEU A 42 22.597 3.197 -10.695 1.00 11.04 H new ATOM 0 HD13 LEU A 42 21.047 2.620 -11.352 1.00 11.04 H new ATOM 0 HD21 LEU A 42 19.448 5.099 -10.499 1.00 32.11 H new ATOM 0 HD22 LEU A 42 18.857 3.440 -10.236 1.00 32.11 H new ATOM 0 HD23 LEU A 42 18.983 4.567 -8.865 1.00 32.11 H new ATOM 666 N ALA A 43 21.259 -0.215 -10.552 1.00 1.21 N ATOM 667 CA ALA A 43 22.141 -1.297 -10.930 1.00 64.24 C ATOM 668 C ALA A 43 23.571 -1.026 -10.479 1.00 54.22 C ATOM 669 O ALA A 43 23.933 0.096 -10.125 1.00 34.53 O ATOM 670 CB ALA A 43 22.080 -1.489 -12.449 1.00 31.14 C ATOM 0 H ALA A 43 20.795 0.218 -11.350 1.00 1.21 H new ATOM 0 HA ALA A 43 21.812 -2.210 -10.435 1.00 64.24 H new ATOM 0 HB1 ALA A 43 22.743 -2.304 -12.740 1.00 31.14 H new ATOM 0 HB2 ALA A 43 21.059 -1.729 -12.745 1.00 31.14 H new ATOM 0 HB3 ALA A 43 22.395 -0.571 -12.945 1.00 31.14 H new ATOM 676 N ASP A 44 24.394 -2.064 -10.584 1.00 60.12 N ATOM 677 CA ASP A 44 25.778 -2.066 -10.107 1.00 72.31 C ATOM 678 C ASP A 44 26.629 -1.018 -10.837 1.00 63.55 C ATOM 679 O ASP A 44 27.581 -0.466 -10.287 1.00 4.13 O ATOM 680 CB ASP A 44 26.345 -3.473 -10.313 1.00 15.41 C ATOM 681 CG ASP A 44 27.657 -3.688 -9.572 1.00 2.34 C ATOM 682 OD1 ASP A 44 27.598 -4.133 -8.398 1.00 42.42 O ATOM 683 OD2 ASP A 44 28.737 -3.538 -10.184 1.00 31.14 O ATOM 0 H ASP A 44 24.115 -2.947 -11.011 1.00 60.12 H new ATOM 0 HA ASP A 44 25.801 -1.801 -9.050 1.00 72.31 H new ATOM 0 HB2 ASP A 44 25.615 -4.208 -9.974 1.00 15.41 H new ATOM 0 HB3 ASP A 44 26.501 -3.646 -11.378 1.00 15.41 H new ATOM 688 N ASP A 45 26.232 -0.711 -12.075 1.00 22.31 N ATOM 689 CA ASP A 45 26.820 0.292 -12.959 1.00 64.44 C ATOM 690 C ASP A 45 26.540 1.736 -12.506 1.00 24.54 C ATOM 691 O ASP A 45 27.189 2.671 -12.968 1.00 24.40 O ATOM 692 CB ASP A 45 26.283 0.059 -14.363 1.00 41.12 C ATOM 693 CG ASP A 45 27.220 0.460 -15.507 1.00 23.53 C ATOM 694 OD1 ASP A 45 28.235 1.162 -15.309 1.00 21.11 O ATOM 695 OD2 ASP A 45 26.937 -0.001 -16.633 1.00 51.24 O ATOM 0 H ASP A 45 25.442 -1.187 -12.511 1.00 22.31 H new ATOM 0 HA ASP A 45 27.904 0.178 -12.932 1.00 64.44 H new ATOM 0 HB2 ASP A 45 26.042 -0.999 -14.469 1.00 41.12 H new ATOM 0 HB3 ASP A 45 25.350 0.611 -14.472 1.00 41.12 H new ATOM 700 N GLY A 46 25.590 1.959 -11.594 1.00 12.34 N ATOM 701 CA GLY A 46 25.356 3.252 -10.960 1.00 2.41 C ATOM 702 C GLY A 46 24.566 4.258 -11.802 1.00 10.31 C ATOM 703 O GLY A 46 24.199 5.305 -11.264 1.00 31.42 O ATOM 0 H GLY A 46 24.952 1.231 -11.272 1.00 12.34 H new ATOM 0 HA2 GLY A 46 24.823 3.088 -10.024 1.00 2.41 H new ATOM 0 HA3 GLY A 46 26.320 3.693 -10.705 1.00 2.41 H new ATOM 707 N GLU A 47 24.250 3.968 -13.072 1.00 65.45 N ATOM 708 CA GLU A 47 23.449 4.838 -13.932 1.00 71.54 C ATOM 709 C GLU A 47 22.282 4.128 -14.646 1.00 61.34 C ATOM 710 O GLU A 47 21.698 4.694 -15.573 1.00 11.04 O ATOM 711 CB GLU A 47 24.338 5.618 -14.897 1.00 71.12 C ATOM 712 CG GLU A 47 25.141 4.709 -15.819 1.00 21.51 C ATOM 713 CD GLU A 47 25.650 5.440 -17.071 1.00 4.23 C ATOM 714 OE1 GLU A 47 25.836 6.681 -17.071 1.00 25.31 O ATOM 715 OE2 GLU A 47 25.759 4.794 -18.138 1.00 2.41 O ATOM 0 H GLU A 47 24.550 3.109 -13.533 1.00 65.45 H new ATOM 0 HA GLU A 47 22.961 5.551 -13.268 1.00 71.54 H new ATOM 0 HB2 GLU A 47 23.719 6.284 -15.498 1.00 71.12 H new ATOM 0 HB3 GLU A 47 25.022 6.247 -14.327 1.00 71.12 H new ATOM 0 HG2 GLU A 47 25.990 4.300 -15.271 1.00 21.51 H new ATOM 0 HG3 GLU A 47 24.521 3.865 -16.122 1.00 21.51 H new ATOM 722 N THR A 48 21.938 2.904 -14.240 1.00 74.23 N ATOM 723 CA THR A 48 20.862 2.113 -14.831 1.00 63.44 C ATOM 724 C THR A 48 19.883 1.705 -13.734 1.00 22.12 C ATOM 725 O THR A 48 20.194 0.849 -12.912 1.00 11.43 O ATOM 726 CB THR A 48 21.459 0.907 -15.579 1.00 20.30 C ATOM 727 OG1 THR A 48 22.157 1.344 -16.725 1.00 71.15 O ATOM 728 CG2 THR A 48 20.387 -0.084 -16.048 1.00 64.34 C ATOM 0 H THR A 48 22.412 2.426 -13.473 1.00 74.23 H new ATOM 0 HA THR A 48 20.307 2.698 -15.564 1.00 63.44 H new ATOM 0 HB THR A 48 22.121 0.407 -14.872 1.00 20.30 H new ATOM 0 HG1 THR A 48 22.534 0.570 -17.193 1.00 71.15 H new ATOM 0 HG21 THR A 48 20.863 -0.915 -16.569 1.00 64.34 H new ATOM 0 HG22 THR A 48 19.839 -0.463 -15.185 1.00 64.34 H new ATOM 0 HG23 THR A 48 19.696 0.420 -16.723 1.00 64.34 H new ATOM 736 N GLU A 49 18.711 2.325 -13.678 1.00 45.41 N ATOM 737 CA GLU A 49 17.594 1.850 -12.868 1.00 22.41 C ATOM 738 C GLU A 49 17.139 0.489 -13.423 1.00 53.42 C ATOM 739 O GLU A 49 17.027 0.339 -14.645 1.00 31.14 O ATOM 740 CB GLU A 49 16.458 2.888 -12.947 1.00 21.52 C ATOM 741 CG GLU A 49 16.747 4.139 -12.090 1.00 21.11 C ATOM 742 CD GLU A 49 15.757 5.296 -12.286 1.00 30.43 C ATOM 743 OE1 GLU A 49 14.847 5.188 -13.138 1.00 4.41 O ATOM 744 OE2 GLU A 49 15.927 6.354 -11.630 1.00 33.21 O ATOM 0 H GLU A 49 18.506 3.179 -14.197 1.00 45.41 H new ATOM 0 HA GLU A 49 17.883 1.726 -11.824 1.00 22.41 H new ATOM 0 HB2 GLU A 49 16.314 3.187 -13.985 1.00 21.52 H new ATOM 0 HB3 GLU A 49 15.526 2.430 -12.615 1.00 21.52 H new ATOM 0 HG2 GLU A 49 16.744 3.851 -11.039 1.00 21.11 H new ATOM 0 HG3 GLU A 49 17.751 4.496 -12.320 1.00 21.11 H new ATOM 751 N LYS A 50 16.867 -0.509 -12.570 1.00 62.11 N ATOM 752 CA LYS A 50 16.202 -1.755 -12.978 1.00 63.31 C ATOM 753 C LYS A 50 15.073 -2.071 -12.006 1.00 32.14 C ATOM 754 O LYS A 50 15.260 -1.949 -10.791 1.00 34.21 O ATOM 755 CB LYS A 50 17.173 -2.949 -13.052 1.00 72.55 C ATOM 756 CG LYS A 50 18.333 -2.760 -14.044 1.00 1.42 C ATOM 757 CD LYS A 50 18.918 -4.082 -14.565 1.00 21.43 C ATOM 758 CE LYS A 50 19.541 -4.903 -13.431 1.00 21.24 C ATOM 759 NZ LYS A 50 20.257 -6.101 -13.914 1.00 75.25 N ATOM 0 H LYS A 50 17.102 -0.475 -11.578 1.00 62.11 H new ATOM 0 HA LYS A 50 15.807 -1.599 -13.982 1.00 63.31 H new ATOM 0 HB2 LYS A 50 17.585 -3.129 -12.059 1.00 72.55 H new ATOM 0 HB3 LYS A 50 16.613 -3.841 -13.332 1.00 72.55 H new ATOM 0 HG2 LYS A 50 17.984 -2.168 -14.890 1.00 1.42 H new ATOM 0 HG3 LYS A 50 19.124 -2.188 -13.560 1.00 1.42 H new ATOM 0 HD2 LYS A 50 18.133 -4.664 -15.048 1.00 21.43 H new ATOM 0 HD3 LYS A 50 19.673 -3.874 -15.323 1.00 21.43 H new ATOM 0 HE2 LYS A 50 20.233 -4.274 -12.871 1.00 21.24 H new ATOM 0 HE3 LYS A 50 18.757 -5.209 -12.738 1.00 21.24 H new ATOM 0 HZ1 LYS A 50 20.657 -6.616 -13.104 1.00 75.25 H new ATOM 0 HZ2 LYS A 50 19.595 -6.719 -14.425 1.00 75.25 H new ATOM 0 HZ3 LYS A 50 21.024 -5.812 -14.554 1.00 75.25 H new ATOM 773 N THR A 51 13.930 -2.509 -12.532 1.00 62.22 N ATOM 774 CA THR A 51 12.798 -2.987 -11.748 1.00 72.55 C ATOM 775 C THR A 51 13.029 -4.422 -11.279 1.00 31.21 C ATOM 776 O THR A 51 13.917 -5.114 -11.786 1.00 33.31 O ATOM 777 CB THR A 51 11.498 -2.907 -12.570 1.00 55.43 C ATOM 778 OG1 THR A 51 11.632 -3.399 -13.891 1.00 64.12 O ATOM 779 CG2 THR A 51 11.045 -1.465 -12.689 1.00 54.43 C ATOM 0 H THR A 51 13.764 -2.541 -13.538 1.00 62.22 H new ATOM 0 HA THR A 51 12.702 -2.346 -10.872 1.00 72.55 H new ATOM 0 HB THR A 51 10.779 -3.527 -12.034 1.00 55.43 H new ATOM 0 HG1 THR A 51 10.774 -3.322 -14.357 1.00 64.12 H new ATOM 0 HG21 THR A 51 10.125 -1.420 -13.272 1.00 54.43 H new ATOM 0 HG22 THR A 51 10.865 -1.057 -11.694 1.00 54.43 H new ATOM 0 HG23 THR A 51 11.819 -0.880 -13.186 1.00 54.43 H new ATOM 787 N PHE A 52 12.178 -4.903 -10.368 1.00 42.14 N ATOM 788 CA PHE A 52 12.113 -6.298 -9.951 1.00 21.44 C ATOM 789 C PHE A 52 10.650 -6.766 -9.860 1.00 40.24 C ATOM 790 O PHE A 52 9.750 -5.930 -9.703 1.00 0.05 O ATOM 791 CB PHE A 52 12.838 -6.452 -8.605 1.00 42.02 C ATOM 792 CG PHE A 52 14.346 -6.467 -8.753 1.00 44.21 C ATOM 793 CD1 PHE A 52 15.067 -5.259 -8.838 1.00 73.55 C ATOM 794 CD2 PHE A 52 15.022 -7.693 -8.899 1.00 62.11 C ATOM 795 CE1 PHE A 52 16.445 -5.279 -9.108 1.00 24.13 C ATOM 796 CE2 PHE A 52 16.405 -7.708 -9.142 1.00 22.33 C ATOM 797 CZ PHE A 52 17.119 -6.505 -9.253 1.00 4.44 C ATOM 0 H PHE A 52 11.498 -4.312 -9.890 1.00 42.14 H new ATOM 0 HA PHE A 52 12.608 -6.928 -10.690 1.00 21.44 H new ATOM 0 HB2 PHE A 52 12.550 -5.633 -7.946 1.00 42.02 H new ATOM 0 HB3 PHE A 52 12.515 -7.376 -8.126 1.00 42.02 H new ATOM 0 HD1 PHE A 52 14.559 -4.317 -8.695 1.00 73.55 H new ATOM 0 HD2 PHE A 52 14.477 -8.622 -8.824 1.00 62.11 H new ATOM 0 HE1 PHE A 52 16.989 -4.351 -9.205 1.00 24.13 H new ATOM 0 HE2 PHE A 52 16.922 -8.651 -9.244 1.00 22.33 H new ATOM 0 HZ PHE A 52 18.181 -6.520 -9.449 1.00 4.44 H new ATOM 807 N PRO A 53 10.380 -8.083 -9.942 1.00 60.33 N ATOM 808 CA PRO A 53 9.042 -8.637 -9.786 1.00 13.25 C ATOM 809 C PRO A 53 8.569 -8.495 -8.338 1.00 15.34 C ATOM 810 O PRO A 53 9.110 -9.130 -7.422 1.00 34.21 O ATOM 811 CB PRO A 53 9.106 -10.099 -10.232 1.00 21.24 C ATOM 812 CG PRO A 53 10.592 -10.456 -10.184 1.00 21.43 C ATOM 813 CD PRO A 53 11.333 -9.126 -10.294 1.00 63.32 C ATOM 0 HA PRO A 53 8.316 -8.099 -10.396 1.00 13.25 H new ATOM 0 HB2 PRO A 53 8.523 -10.740 -9.571 1.00 21.24 H new ATOM 0 HB3 PRO A 53 8.701 -10.225 -11.236 1.00 21.24 H new ATOM 0 HG2 PRO A 53 10.843 -10.970 -9.256 1.00 21.43 H new ATOM 0 HG3 PRO A 53 10.862 -11.125 -11.001 1.00 21.43 H new ATOM 0 HD2 PRO A 53 12.193 -9.106 -9.624 1.00 63.32 H new ATOM 0 HD3 PRO A 53 11.713 -8.978 -11.305 1.00 63.32 H new ATOM 821 N PHE A 54 7.558 -7.656 -8.123 1.00 71.32 N ATOM 822 CA PHE A 54 6.946 -7.454 -6.824 1.00 44.02 C ATOM 823 C PHE A 54 6.040 -8.654 -6.541 1.00 22.44 C ATOM 824 O PHE A 54 5.002 -8.797 -7.186 1.00 24.53 O ATOM 825 CB PHE A 54 6.199 -6.106 -6.800 1.00 74.54 C ATOM 826 CG PHE A 54 6.082 -5.479 -5.422 1.00 72.13 C ATOM 827 CD1 PHE A 54 5.489 -6.178 -4.350 1.00 24.12 C ATOM 828 CD2 PHE A 54 6.588 -4.181 -5.207 1.00 20.52 C ATOM 829 CE1 PHE A 54 5.438 -5.595 -3.072 1.00 42.10 C ATOM 830 CE2 PHE A 54 6.541 -3.604 -3.928 1.00 2.32 C ATOM 831 CZ PHE A 54 5.983 -4.318 -2.857 1.00 53.04 C ATOM 0 H PHE A 54 7.139 -7.091 -8.862 1.00 71.32 H new ATOM 0 HA PHE A 54 7.692 -7.398 -6.032 1.00 44.02 H new ATOM 0 HB2 PHE A 54 6.712 -5.408 -7.461 1.00 74.54 H new ATOM 0 HB3 PHE A 54 5.198 -6.252 -7.206 1.00 74.54 H new ATOM 0 HD1 PHE A 54 5.074 -7.162 -4.511 1.00 24.12 H new ATOM 0 HD2 PHE A 54 7.014 -3.627 -6.031 1.00 20.52 H new ATOM 0 HE1 PHE A 54 4.979 -6.130 -2.254 1.00 42.10 H new ATOM 0 HE2 PHE A 54 6.934 -2.611 -3.769 1.00 2.32 H new ATOM 0 HZ PHE A 54 5.972 -3.886 -1.867 1.00 53.04 H new ATOM 841 N THR A 55 6.426 -9.517 -5.600 1.00 54.44 N ATOM 842 CA THR A 55 5.551 -10.567 -5.058 1.00 13.42 C ATOM 843 C THR A 55 5.530 -10.542 -3.518 1.00 22.32 C ATOM 844 O THR A 55 6.188 -9.694 -2.915 1.00 41.31 O ATOM 845 CB THR A 55 5.881 -11.948 -5.644 1.00 55.40 C ATOM 846 OG1 THR A 55 7.177 -12.368 -5.275 1.00 13.23 O ATOM 847 CG2 THR A 55 5.748 -11.994 -7.164 1.00 54.33 C ATOM 0 H THR A 55 7.359 -9.510 -5.188 1.00 54.44 H new ATOM 0 HA THR A 55 4.532 -10.351 -5.378 1.00 13.42 H new ATOM 0 HB THR A 55 5.144 -12.631 -5.222 1.00 55.40 H new ATOM 0 HG1 THR A 55 7.357 -13.250 -5.661 1.00 13.23 H new ATOM 0 HG21 THR A 55 5.994 -12.994 -7.521 1.00 54.33 H new ATOM 0 HG22 THR A 55 4.724 -11.749 -7.447 1.00 54.33 H new ATOM 0 HG23 THR A 55 6.431 -11.272 -7.611 1.00 54.33 H new ATOM 855 N LYS A 56 4.787 -11.449 -2.863 1.00 3.25 N ATOM 856 CA LYS A 56 4.453 -11.409 -1.432 1.00 33.43 C ATOM 857 C LYS A 56 5.642 -11.332 -0.467 1.00 54.43 C ATOM 858 O LYS A 56 5.424 -10.959 0.689 1.00 51.00 O ATOM 859 CB LYS A 56 3.546 -12.603 -1.050 1.00 35.34 C ATOM 860 CG LYS A 56 2.040 -12.292 -1.134 1.00 15.05 C ATOM 861 CD LYS A 56 1.381 -12.508 -2.503 1.00 44.11 C ATOM 862 CE LYS A 56 0.669 -13.859 -2.581 1.00 32.33 C ATOM 863 NZ LYS A 56 0.203 -14.191 -3.945 1.00 33.15 N ATOM 0 H LYS A 56 4.388 -12.261 -3.335 1.00 3.25 H new ATOM 0 HA LYS A 56 3.926 -10.463 -1.309 1.00 33.43 H new ATOM 0 HB2 LYS A 56 3.771 -13.443 -1.707 1.00 35.34 H new ATOM 0 HB3 LYS A 56 3.786 -12.919 -0.035 1.00 35.34 H new ATOM 0 HG2 LYS A 56 1.521 -12.910 -0.402 1.00 15.05 H new ATOM 0 HG3 LYS A 56 1.887 -11.254 -0.840 1.00 15.05 H new ATOM 0 HD2 LYS A 56 0.665 -11.708 -2.693 1.00 44.11 H new ATOM 0 HD3 LYS A 56 2.138 -12.450 -3.285 1.00 44.11 H new ATOM 0 HE2 LYS A 56 1.346 -14.640 -2.234 1.00 32.33 H new ATOM 0 HE3 LYS A 56 -0.185 -13.853 -1.903 1.00 32.33 H new ATOM 0 HZ1 LYS A 56 -0.271 -15.117 -3.934 1.00 33.15 H new ATOM 0 HZ2 LYS A 56 -0.465 -13.464 -4.270 1.00 33.15 H new ATOM 0 HZ3 LYS A 56 1.017 -14.227 -4.591 1.00 33.15 H new ATOM 877 N GLU A 57 6.870 -11.623 -0.905 1.00 24.51 N ATOM 878 CA GLU A 57 8.072 -11.502 -0.076 1.00 40.21 C ATOM 879 C GLU A 57 8.125 -10.117 0.576 1.00 14.13 C ATOM 880 O GLU A 57 8.310 -9.984 1.784 1.00 73.53 O ATOM 881 CB GLU A 57 9.387 -11.672 -0.870 1.00 20.24 C ATOM 882 CG GLU A 57 9.387 -12.533 -2.131 1.00 33.13 C ATOM 883 CD GLU A 57 9.279 -14.010 -1.786 1.00 75.14 C ATOM 884 OE1 GLU A 57 8.160 -14.462 -1.459 1.00 34.43 O ATOM 885 OE2 GLU A 57 10.287 -14.738 -1.921 1.00 12.34 O ATOM 0 H GLU A 57 7.059 -11.952 -1.852 1.00 24.51 H new ATOM 0 HA GLU A 57 7.999 -12.303 0.660 1.00 40.21 H new ATOM 0 HB2 GLU A 57 9.732 -10.677 -1.152 1.00 20.24 H new ATOM 0 HB3 GLU A 57 10.131 -12.086 -0.189 1.00 20.24 H new ATOM 0 HG2 GLU A 57 8.554 -12.244 -2.772 1.00 33.13 H new ATOM 0 HG3 GLU A 57 10.301 -12.355 -2.697 1.00 33.13 H new ATOM 892 N LYS A 58 7.969 -9.088 -0.259 1.00 0.42 N ATOM 893 CA LYS A 58 8.273 -7.691 0.031 1.00 34.42 C ATOM 894 C LYS A 58 6.990 -6.928 0.343 1.00 33.55 C ATOM 895 O LYS A 58 6.803 -5.800 -0.095 1.00 35.21 O ATOM 896 CB LYS A 58 9.091 -7.090 -1.129 1.00 13.33 C ATOM 897 CG LYS A 58 8.471 -7.204 -2.522 1.00 2.05 C ATOM 898 CD LYS A 58 9.482 -7.728 -3.549 1.00 4.11 C ATOM 899 CE LYS A 58 9.429 -9.250 -3.677 1.00 12.11 C ATOM 900 NZ LYS A 58 10.401 -9.747 -4.665 1.00 15.23 N ATOM 0 H LYS A 58 7.608 -9.217 -1.204 1.00 0.42 H new ATOM 0 HA LYS A 58 8.893 -7.610 0.924 1.00 34.42 H new ATOM 0 HB2 LYS A 58 9.264 -6.035 -0.916 1.00 13.33 H new ATOM 0 HB3 LYS A 58 10.067 -7.575 -1.148 1.00 13.33 H new ATOM 0 HG2 LYS A 58 7.610 -7.872 -2.484 1.00 2.05 H new ATOM 0 HG3 LYS A 58 8.103 -6.228 -2.838 1.00 2.05 H new ATOM 0 HD2 LYS A 58 9.281 -7.275 -4.520 1.00 4.11 H new ATOM 0 HD3 LYS A 58 10.487 -7.423 -3.257 1.00 4.11 H new ATOM 0 HE2 LYS A 58 9.631 -9.704 -2.707 1.00 12.11 H new ATOM 0 HE3 LYS A 58 8.424 -9.556 -3.969 1.00 12.11 H new ATOM 0 HZ1 LYS A 58 10.559 -10.764 -4.515 1.00 15.23 H new ATOM 0 HZ2 LYS A 58 10.031 -9.592 -5.624 1.00 15.23 H new ATOM 0 HZ3 LYS A 58 11.300 -9.237 -4.554 1.00 15.23 H new ATOM 914 N TRP A 59 6.069 -7.584 1.043 1.00 33.35 N ATOM 915 CA TRP A 59 4.752 -7.070 1.371 1.00 54.14 C ATOM 916 C TRP A 59 4.714 -6.748 2.869 1.00 52.11 C ATOM 917 O TRP A 59 4.415 -7.655 3.655 1.00 64.33 O ATOM 918 CB TRP A 59 3.674 -8.065 0.925 1.00 0.35 C ATOM 919 CG TRP A 59 2.265 -7.587 1.098 1.00 3.24 C ATOM 920 CD1 TRP A 59 1.526 -7.710 2.225 1.00 12.21 C ATOM 921 CD2 TRP A 59 1.447 -6.806 0.176 1.00 55.42 C ATOM 922 NE1 TRP A 59 0.295 -7.116 2.042 1.00 75.03 N ATOM 923 CE2 TRP A 59 0.170 -6.596 0.774 1.00 40.50 C ATOM 924 CE3 TRP A 59 1.665 -6.224 -1.094 1.00 12.02 C ATOM 925 CZ2 TRP A 59 -0.858 -5.903 0.121 1.00 62.11 C ATOM 926 CZ3 TRP A 59 0.655 -5.481 -1.735 1.00 4.11 C ATOM 927 CH2 TRP A 59 -0.604 -5.330 -1.131 1.00 53.12 C ATOM 0 H TRP A 59 6.230 -8.522 1.409 1.00 33.35 H new ATOM 0 HA TRP A 59 4.542 -6.145 0.834 1.00 54.14 H new ATOM 0 HB2 TRP A 59 3.834 -8.305 -0.126 1.00 0.35 H new ATOM 0 HB3 TRP A 59 3.800 -8.991 1.486 1.00 0.35 H new ATOM 0 HD1 TRP A 59 1.851 -8.200 3.131 1.00 12.21 H new ATOM 0 HE1 TRP A 59 -0.431 -7.068 2.756 1.00 75.03 H new ATOM 0 HE3 TRP A 59 2.621 -6.351 -1.580 1.00 12.02 H new ATOM 0 HZ2 TRP A 59 -1.833 -5.812 0.577 1.00 62.11 H new ATOM 0 HZ3 TRP A 59 0.849 -5.026 -2.695 1.00 4.11 H new ATOM 0 HH2 TRP A 59 -1.379 -4.770 -1.634 1.00 53.12 H new ATOM 938 N PRO A 60 5.132 -5.543 3.300 1.00 15.14 N ATOM 939 CA PRO A 60 4.916 -5.107 4.672 1.00 74.33 C ATOM 940 C PRO A 60 3.412 -5.099 4.956 1.00 52.41 C ATOM 941 O PRO A 60 2.639 -4.509 4.201 1.00 73.14 O ATOM 942 CB PRO A 60 5.545 -3.721 4.800 1.00 33.13 C ATOM 943 CG PRO A 60 5.594 -3.197 3.372 1.00 75.21 C ATOM 944 CD PRO A 60 5.667 -4.449 2.502 1.00 15.11 C ATOM 0 HA PRO A 60 5.375 -5.773 5.403 1.00 74.33 H new ATOM 0 HB2 PRO A 60 4.950 -3.072 5.442 1.00 33.13 H new ATOM 0 HB3 PRO A 60 6.542 -3.775 5.238 1.00 33.13 H new ATOM 0 HG2 PRO A 60 4.711 -2.603 3.138 1.00 75.21 H new ATOM 0 HG3 PRO A 60 6.461 -2.555 3.215 1.00 75.21 H new ATOM 0 HD2 PRO A 60 5.090 -4.319 1.587 1.00 15.11 H new ATOM 0 HD3 PRO A 60 6.695 -4.654 2.204 1.00 15.11 H new ATOM 952 N LEU A 61 2.988 -5.821 5.988 1.00 34.24 N ATOM 953 CA LEU A 61 1.599 -5.931 6.404 1.00 74.20 C ATOM 954 C LEU A 61 1.182 -4.601 7.025 1.00 53.54 C ATOM 955 O LEU A 61 1.884 -4.076 7.891 1.00 63.32 O ATOM 956 CB LEU A 61 1.427 -7.074 7.421 1.00 34.45 C ATOM 957 CG LEU A 61 1.532 -8.477 6.788 1.00 71.03 C ATOM 958 CD1 LEU A 61 1.752 -9.535 7.867 1.00 12.44 C ATOM 959 CD2 LEU A 61 0.291 -8.864 5.990 1.00 52.24 C ATOM 0 H LEU A 61 3.623 -6.362 6.575 1.00 34.24 H new ATOM 0 HA LEU A 61 0.970 -6.157 5.543 1.00 74.20 H new ATOM 0 HB2 LEU A 61 2.185 -6.976 8.198 1.00 34.45 H new ATOM 0 HB3 LEU A 61 0.457 -6.975 7.908 1.00 34.45 H new ATOM 0 HG LEU A 61 2.380 -8.434 6.105 1.00 71.03 H new ATOM 0 HD11 LEU A 61 1.824 -10.519 7.403 1.00 12.44 H new ATOM 0 HD12 LEU A 61 2.675 -9.319 8.405 1.00 12.44 H new ATOM 0 HD13 LEU A 61 0.914 -9.523 8.564 1.00 12.44 H new ATOM 0 HD21 LEU A 61 0.425 -9.861 5.569 1.00 52.24 H new ATOM 0 HD22 LEU A 61 -0.579 -8.861 6.646 1.00 52.24 H new ATOM 0 HD23 LEU A 61 0.139 -8.147 5.183 1.00 52.24 H new ATOM 971 N LEU A 62 0.059 -4.039 6.577 1.00 71.20 N ATOM 972 CA LEU A 62 -0.494 -2.823 7.170 1.00 71.33 C ATOM 973 C LEU A 62 -1.245 -3.167 8.457 1.00 74.21 C ATOM 974 O LEU A 62 -1.933 -4.188 8.524 1.00 13.22 O ATOM 975 CB LEU A 62 -1.423 -2.106 6.170 1.00 31.02 C ATOM 976 CG LEU A 62 -0.797 -0.883 5.472 1.00 50.41 C ATOM 977 CD1 LEU A 62 -0.528 0.267 6.453 1.00 62.44 C ATOM 978 CD2 LEU A 62 0.490 -1.224 4.712 1.00 3.54 C ATOM 0 H LEU A 62 -0.488 -4.410 5.800 1.00 71.20 H new ATOM 0 HA LEU A 62 0.325 -2.146 7.413 1.00 71.33 H new ATOM 0 HB2 LEU A 62 -1.736 -2.821 5.409 1.00 31.02 H new ATOM 0 HB3 LEU A 62 -2.323 -1.786 6.696 1.00 31.02 H new ATOM 0 HG LEU A 62 -1.540 -0.557 4.744 1.00 50.41 H new ATOM 0 HD11 LEU A 62 -0.087 1.107 5.917 1.00 62.44 H new ATOM 0 HD12 LEU A 62 -1.466 0.581 6.911 1.00 62.44 H new ATOM 0 HD13 LEU A 62 0.160 -0.070 7.229 1.00 62.44 H new ATOM 0 HD21 LEU A 62 0.884 -0.323 4.242 1.00 3.54 H new ATOM 0 HD22 LEU A 62 1.228 -1.623 5.407 1.00 3.54 H new ATOM 0 HD23 LEU A 62 0.274 -1.969 3.946 1.00 3.54 H new ATOM 990 N ASP A 63 -1.151 -2.274 9.445 1.00 13.23 N ATOM 991 CA ASP A 63 -1.963 -2.266 10.672 1.00 55.34 C ATOM 992 C ASP A 63 -3.010 -1.153 10.573 1.00 52.22 C ATOM 993 O ASP A 63 -2.878 -0.255 9.730 1.00 31.43 O ATOM 994 CB ASP A 63 -1.071 -2.029 11.910 1.00 1.32 C ATOM 995 CG ASP A 63 -1.727 -2.318 13.257 1.00 65.24 C ATOM 996 OD1 ASP A 63 -2.805 -2.941 13.266 1.00 20.24 O ATOM 997 OD2 ASP A 63 -1.163 -1.938 14.308 1.00 30.43 O ATOM 0 H ASP A 63 -0.482 -1.505 9.414 1.00 13.23 H new ATOM 0 HA ASP A 63 -2.455 -3.233 10.779 1.00 55.34 H new ATOM 0 HB2 ASP A 63 -0.180 -2.650 11.819 1.00 1.32 H new ATOM 0 HB3 ASP A 63 -0.738 -0.991 11.903 1.00 1.32 H new ATOM 1002 N SER A 64 -3.983 -1.138 11.481 1.00 33.31 N ATOM 1003 CA SER A 64 -5.077 -0.158 11.516 1.00 14.24 C ATOM 1004 C SER A 64 -4.610 1.294 11.626 1.00 72.25 C ATOM 1005 O SER A 64 -5.333 2.202 11.224 1.00 21.33 O ATOM 1006 CB SER A 64 -6.024 -0.475 12.677 1.00 23.24 C ATOM 1007 OG SER A 64 -6.905 -1.529 12.321 1.00 4.24 O ATOM 0 H SER A 64 -4.038 -1.823 12.235 1.00 33.31 H new ATOM 0 HA SER A 64 -5.590 -0.248 10.558 1.00 14.24 H new ATOM 0 HB2 SER A 64 -5.448 -0.756 13.559 1.00 23.24 H new ATOM 0 HB3 SER A 64 -6.597 0.414 12.941 1.00 23.24 H new ATOM 0 HG SER A 64 -7.504 -1.723 13.072 1.00 4.24 H new ATOM 1013 N GLU A 65 -3.421 1.496 12.171 1.00 3.10 N ATOM 1014 CA GLU A 65 -2.865 2.754 12.626 1.00 24.31 C ATOM 1015 C GLU A 65 -2.399 3.662 11.490 1.00 73.41 C ATOM 1016 O GLU A 65 -2.824 4.809 11.424 1.00 62.13 O ATOM 1017 CB GLU A 65 -1.705 2.349 13.534 1.00 61.31 C ATOM 1018 CG GLU A 65 -2.171 1.824 14.898 1.00 51.41 C ATOM 1019 CD GLU A 65 -2.786 2.933 15.756 1.00 52.24 C ATOM 1020 OE1 GLU A 65 -2.169 4.018 15.884 1.00 23.00 O ATOM 1021 OE2 GLU A 65 -3.921 2.730 16.248 1.00 30.13 O ATOM 0 H GLU A 65 -2.772 0.723 12.317 1.00 3.10 H new ATOM 0 HA GLU A 65 -3.619 3.351 13.139 1.00 24.31 H new ATOM 0 HB2 GLU A 65 -1.113 1.581 13.037 1.00 61.31 H new ATOM 0 HB3 GLU A 65 -1.051 3.208 13.685 1.00 61.31 H new ATOM 0 HG2 GLU A 65 -2.903 1.030 14.751 1.00 51.41 H new ATOM 0 HG3 GLU A 65 -1.325 1.383 15.426 1.00 51.41 H new ATOM 1028 N THR A 66 -1.563 3.184 10.570 1.00 74.11 N ATOM 1029 CA THR A 66 -1.095 4.024 9.470 1.00 72.04 C ATOM 1030 C THR A 66 -2.251 4.334 8.498 1.00 65.14 C ATOM 1031 O THR A 66 -2.171 5.291 7.720 1.00 21.20 O ATOM 1032 CB THR A 66 0.112 3.347 8.791 1.00 22.20 C ATOM 1033 OG1 THR A 66 1.030 2.917 9.777 1.00 74.01 O ATOM 1034 CG2 THR A 66 0.880 4.257 7.828 1.00 52.22 C ATOM 0 H THR A 66 -1.200 2.231 10.564 1.00 74.11 H new ATOM 0 HA THR A 66 -0.755 4.988 9.847 1.00 72.04 H new ATOM 0 HB THR A 66 -0.304 2.521 8.215 1.00 22.20 H new ATOM 0 HG1 THR A 66 1.796 2.485 9.345 1.00 74.01 H new ATOM 0 HG21 THR A 66 1.713 3.705 7.393 1.00 52.22 H new ATOM 0 HG22 THR A 66 0.213 4.592 7.034 1.00 52.22 H new ATOM 0 HG23 THR A 66 1.262 5.122 8.371 1.00 52.22 H new ATOM 1042 N MET A 67 -3.355 3.582 8.565 1.00 72.14 N ATOM 1043 CA MET A 67 -4.562 3.735 7.759 1.00 52.52 C ATOM 1044 C MET A 67 -5.514 4.770 8.380 1.00 21.20 C ATOM 1045 O MET A 67 -6.681 4.480 8.650 1.00 34.11 O ATOM 1046 CB MET A 67 -5.224 2.358 7.574 1.00 32.44 C ATOM 1047 CG MET A 67 -4.336 1.375 6.794 1.00 63.34 C ATOM 1048 SD MET A 67 -5.134 0.613 5.353 1.00 53.25 S ATOM 1049 CE MET A 67 -5.185 2.051 4.248 1.00 10.12 C ATOM 0 H MET A 67 -3.430 2.806 9.223 1.00 72.14 H new ATOM 0 HA MET A 67 -4.300 4.120 6.773 1.00 52.52 H new ATOM 0 HB2 MET A 67 -5.455 1.936 8.552 1.00 32.44 H new ATOM 0 HB3 MET A 67 -6.171 2.482 7.049 1.00 32.44 H new ATOM 0 HG2 MET A 67 -3.441 1.900 6.461 1.00 63.34 H new ATOM 0 HG3 MET A 67 -4.009 0.586 7.471 1.00 63.34 H new ATOM 0 HE1 MET A 67 -5.844 1.840 3.406 1.00 10.12 H new ATOM 0 HE2 MET A 67 -5.560 2.916 4.794 1.00 10.12 H new ATOM 0 HE3 MET A 67 -4.181 2.262 3.879 1.00 10.12 H new ATOM 1059 N LYS A 68 -5.020 5.983 8.625 1.00 12.10 N ATOM 1060 CA LYS A 68 -5.779 7.136 9.114 1.00 1.44 C ATOM 1061 C LYS A 68 -5.260 8.386 8.413 1.00 4.32 C ATOM 1062 O LYS A 68 -4.063 8.448 8.119 1.00 65.31 O ATOM 1063 CB LYS A 68 -5.604 7.255 10.646 1.00 4.24 C ATOM 1064 CG LYS A 68 -6.549 6.348 11.455 1.00 52.52 C ATOM 1065 CD LYS A 68 -5.778 5.295 12.266 1.00 53.55 C ATOM 1066 CE LYS A 68 -6.670 4.371 13.096 1.00 34.12 C ATOM 1067 NZ LYS A 68 -7.622 5.101 13.954 1.00 24.21 N ATOM 0 H LYS A 68 -4.034 6.200 8.482 1.00 12.10 H new ATOM 0 HA LYS A 68 -6.841 7.016 8.899 1.00 1.44 H new ATOM 0 HB2 LYS A 68 -4.573 7.011 10.904 1.00 4.24 H new ATOM 0 HB3 LYS A 68 -5.770 8.291 10.941 1.00 4.24 H new ATOM 0 HG2 LYS A 68 -7.148 6.959 12.130 1.00 52.52 H new ATOM 0 HG3 LYS A 68 -7.241 5.849 10.777 1.00 52.52 H new ATOM 0 HD2 LYS A 68 -5.182 4.690 11.582 1.00 53.55 H new ATOM 0 HD3 LYS A 68 -5.081 5.804 12.932 1.00 53.55 H new ATOM 0 HE2 LYS A 68 -7.224 3.714 12.426 1.00 34.12 H new ATOM 0 HE3 LYS A 68 -6.042 3.735 13.720 1.00 34.12 H new ATOM 0 HZ1 LYS A 68 -8.126 4.427 14.565 1.00 24.21 H new ATOM 0 HZ2 LYS A 68 -7.105 5.783 14.544 1.00 24.21 H new ATOM 0 HZ3 LYS A 68 -8.307 5.608 13.359 1.00 24.21 H new ATOM 1081 N GLU A 69 -6.122 9.372 8.141 1.00 5.24 N ATOM 1082 CA GLU A 69 -5.683 10.633 7.549 1.00 70.43 C ATOM 1083 C GLU A 69 -5.349 11.646 8.630 1.00 34.42 C ATOM 1084 O GLU A 69 -6.239 12.031 9.393 1.00 52.25 O ATOM 1085 CB GLU A 69 -6.749 11.246 6.617 1.00 73.22 C ATOM 1086 CG GLU A 69 -7.081 10.493 5.322 1.00 23.22 C ATOM 1087 CD GLU A 69 -8.445 9.794 5.355 1.00 43.54 C ATOM 1088 OE1 GLU A 69 -9.482 10.492 5.245 1.00 73.45 O ATOM 1089 OE2 GLU A 69 -8.508 8.546 5.375 1.00 61.05 O ATOM 0 H GLU A 69 -7.124 9.318 8.322 1.00 5.24 H new ATOM 0 HA GLU A 69 -4.796 10.402 6.959 1.00 70.43 H new ATOM 0 HB2 GLU A 69 -7.671 11.355 7.188 1.00 73.22 H new ATOM 0 HB3 GLU A 69 -6.421 12.250 6.347 1.00 73.22 H new ATOM 0 HG2 GLU A 69 -7.061 11.194 4.488 1.00 23.22 H new ATOM 0 HG3 GLU A 69 -6.305 9.751 5.133 1.00 23.22 H new ATOM 1096 N GLU A 70 -4.119 12.163 8.640 1.00 43.34 N ATOM 1097 CA GLU A 70 -3.696 13.270 9.492 1.00 21.11 C ATOM 1098 C GLU A 70 -2.662 14.141 8.746 1.00 31.13 C ATOM 1099 O GLU A 70 -2.238 13.774 7.645 1.00 45.55 O ATOM 1100 CB GLU A 70 -3.212 12.703 10.834 1.00 14.42 C ATOM 1101 CG GLU A 70 -1.707 12.479 10.940 1.00 3.41 C ATOM 1102 CD GLU A 70 -1.375 11.419 11.987 1.00 12.50 C ATOM 1103 OE1 GLU A 70 -1.490 11.706 13.197 1.00 10.10 O ATOM 1104 OE2 GLU A 70 -1.023 10.290 11.565 1.00 14.40 O ATOM 0 H GLU A 70 -3.372 11.813 8.040 1.00 43.34 H new ATOM 0 HA GLU A 70 -4.524 13.941 9.721 1.00 21.11 H new ATOM 0 HB2 GLU A 70 -3.519 13.383 11.629 1.00 14.42 H new ATOM 0 HB3 GLU A 70 -3.718 11.754 11.013 1.00 14.42 H new ATOM 0 HG2 GLU A 70 -1.314 12.171 9.971 1.00 3.41 H new ATOM 0 HG3 GLU A 70 -1.215 13.416 11.200 1.00 3.41 H new ATOM 1111 N ARG A 71 -2.292 15.294 9.319 1.00 51.31 N ATOM 1112 CA ARG A 71 -1.454 16.334 8.715 1.00 30.11 C ATOM 1113 C ARG A 71 -0.554 16.932 9.809 1.00 51.41 C ATOM 1114 O ARG A 71 -1.030 17.712 10.638 1.00 23.11 O ATOM 1115 CB ARG A 71 -2.382 17.393 8.081 1.00 14.51 C ATOM 1116 CG ARG A 71 -1.651 18.347 7.136 1.00 63.35 C ATOM 1117 CD ARG A 71 -1.645 19.767 7.671 1.00 70.35 C ATOM 1118 NE ARG A 71 -2.801 20.574 7.246 1.00 73.13 N ATOM 1119 CZ ARG A 71 -2.764 21.849 6.833 1.00 72.05 C ATOM 1120 NH1 ARG A 71 -1.631 22.435 6.457 1.00 2.52 N ATOM 1121 NH2 ARG A 71 -3.891 22.538 6.817 1.00 23.10 N ATOM 0 H ARG A 71 -2.585 15.537 10.265 1.00 51.31 H new ATOM 0 HA ARG A 71 -0.809 15.933 7.933 1.00 30.11 H new ATOM 0 HB2 ARG A 71 -3.178 16.888 7.533 1.00 14.51 H new ATOM 0 HB3 ARG A 71 -2.858 17.971 8.873 1.00 14.51 H new ATOM 0 HG2 ARG A 71 -0.625 18.006 6.996 1.00 63.35 H new ATOM 0 HG3 ARG A 71 -2.130 18.328 6.157 1.00 63.35 H new ATOM 0 HD2 ARG A 71 -1.620 19.733 8.760 1.00 70.35 H new ATOM 0 HD3 ARG A 71 -0.730 20.263 7.346 1.00 70.35 H new ATOM 0 HE ARG A 71 -3.715 20.121 7.268 1.00 73.13 H new ATOM 0 HH11 ARG A 71 -0.755 21.912 6.478 1.00 2.52 H new ATOM 0 HH12 ARG A 71 -1.638 23.407 6.148 1.00 2.52 H new ATOM 0 HH21 ARG A 71 -4.762 22.098 7.114 1.00 23.10 H new ATOM 0 HH22 ARG A 71 -3.890 23.510 6.507 1.00 23.10 H new ATOM 1135 N ILE A 72 0.718 16.550 9.852 1.00 65.33 N ATOM 1136 CA ILE A 72 1.725 16.916 10.844 1.00 43.51 C ATOM 1137 C ILE A 72 2.648 17.974 10.234 1.00 64.45 C ATOM 1138 O ILE A 72 3.494 17.681 9.394 1.00 3.42 O ATOM 1139 CB ILE A 72 2.523 15.666 11.313 1.00 14.13 C ATOM 1140 CG1 ILE A 72 1.659 14.419 11.642 1.00 25.32 C ATOM 1141 CG2 ILE A 72 3.305 16.025 12.588 1.00 44.44 C ATOM 1142 CD1 ILE A 72 1.429 13.479 10.449 1.00 51.53 C ATOM 0 H ILE A 72 1.102 15.929 9.140 1.00 65.33 H new ATOM 0 HA ILE A 72 1.240 17.330 11.728 1.00 43.51 H new ATOM 0 HB ILE A 72 3.162 15.400 10.471 1.00 14.13 H new ATOM 0 HG12 ILE A 72 2.140 13.859 12.444 1.00 25.32 H new ATOM 0 HG13 ILE A 72 0.692 14.751 12.020 1.00 25.32 H new ATOM 0 HG21 ILE A 72 3.869 15.155 12.926 1.00 44.44 H new ATOM 0 HG22 ILE A 72 3.993 16.843 12.375 1.00 44.44 H new ATOM 0 HG23 ILE A 72 2.608 16.331 13.368 1.00 44.44 H new ATOM 0 HD11 ILE A 72 0.817 12.634 10.764 1.00 51.53 H new ATOM 0 HD12 ILE A 72 0.918 14.020 9.653 1.00 51.53 H new ATOM 0 HD13 ILE A 72 2.389 13.115 10.083 1.00 51.53 H new ATOM 1154 N THR A 73 2.439 19.224 10.617 1.00 71.35 N ATOM 1155 CA THR A 73 3.217 20.406 10.350 1.00 32.34 C ATOM 1156 C THR A 73 4.573 20.305 11.090 1.00 13.33 C ATOM 1157 O THR A 73 4.731 20.832 12.199 1.00 30.12 O ATOM 1158 CB THR A 73 2.324 21.582 10.837 1.00 54.21 C ATOM 1159 OG1 THR A 73 0.948 21.239 11.076 1.00 52.42 O ATOM 1160 CG2 THR A 73 2.192 22.583 9.710 1.00 52.12 C ATOM 0 H THR A 73 1.624 19.451 11.187 1.00 71.35 H new ATOM 0 HA THR A 73 3.474 20.545 9.300 1.00 32.34 H new ATOM 0 HB THR A 73 2.806 21.924 11.753 1.00 54.21 H new ATOM 0 HG1 THR A 73 0.461 22.033 11.380 1.00 52.42 H new ATOM 0 HG21 THR A 73 1.568 23.416 10.034 1.00 52.12 H new ATOM 0 HG22 THR A 73 3.179 22.955 9.436 1.00 52.12 H new ATOM 0 HG23 THR A 73 1.733 22.101 8.847 1.00 52.12 H new ATOM 1168 N GLN A 74 5.535 19.553 10.543 1.00 4.10 N ATOM 1169 CA GLN A 74 6.860 19.385 11.122 1.00 30.00 C ATOM 1170 C GLN A 74 7.767 20.506 10.664 1.00 24.14 C ATOM 1171 O GLN A 74 8.250 20.557 9.534 1.00 41.14 O ATOM 1172 CB GLN A 74 7.481 18.030 10.777 1.00 62.15 C ATOM 1173 CG GLN A 74 6.619 16.921 11.369 1.00 43.13 C ATOM 1174 CD GLN A 74 7.339 15.577 11.340 1.00 73.22 C ATOM 1175 OE1 GLN A 74 6.915 14.663 10.486 1.00 3.44 O flip ATOM 1176 NE2 GLN A 74 8.307 15.365 12.072 1.00 51.13 N flip ATOM 0 H GLN A 74 5.406 19.039 9.672 1.00 4.10 H new ATOM 0 HA GLN A 74 6.749 19.419 12.206 1.00 30.00 H new ATOM 0 HB2 GLN A 74 7.553 17.914 9.696 1.00 62.15 H new ATOM 0 HB3 GLN A 74 8.495 17.970 11.172 1.00 62.15 H new ATOM 0 HG2 GLN A 74 6.357 17.172 12.397 1.00 43.13 H new ATOM 0 HG3 GLN A 74 5.686 16.847 10.811 1.00 43.13 H new ATOM 0 HE21 GLN A 74 8.620 16.083 12.725 1.00 51.13 H new ATOM 0 HE22 GLN A 74 8.796 14.471 12.025 1.00 51.13 H new ATOM 1185 N GLU A 75 8.094 21.353 11.620 1.00 34.03 N ATOM 1186 CA GLU A 75 9.052 22.444 11.470 1.00 42.25 C ATOM 1187 C GLU A 75 10.475 21.902 11.195 1.00 61.15 C ATOM 1188 O GLU A 75 11.380 22.651 10.827 1.00 50.32 O ATOM 1189 CB GLU A 75 9.004 23.339 12.713 1.00 42.52 C ATOM 1190 CG GLU A 75 7.578 23.813 13.051 1.00 53.43 C ATOM 1191 CD GLU A 75 6.912 24.749 12.033 1.00 25.14 C ATOM 1192 OE1 GLU A 75 6.595 24.322 10.901 1.00 63.41 O ATOM 1193 OE2 GLU A 75 6.623 25.906 12.425 1.00 53.34 O ATOM 0 H GLU A 75 7.690 21.304 12.555 1.00 34.03 H new ATOM 0 HA GLU A 75 8.779 23.048 10.605 1.00 42.25 H new ATOM 0 HB2 GLU A 75 9.412 22.794 13.564 1.00 42.52 H new ATOM 0 HB3 GLU A 75 9.643 24.208 12.555 1.00 42.52 H new ATOM 0 HG2 GLU A 75 6.945 22.934 13.172 1.00 53.43 H new ATOM 0 HG3 GLU A 75 7.606 24.321 14.015 1.00 53.43 H new ATOM 1200 N GLU A 76 10.662 20.581 11.338 1.00 44.12 N ATOM 1201 CA GLU A 76 11.895 19.845 11.076 1.00 32.31 C ATOM 1202 C GLU A 76 11.940 19.185 9.687 1.00 32.40 C ATOM 1203 O GLU A 76 12.926 18.503 9.386 1.00 52.21 O ATOM 1204 CB GLU A 76 12.104 18.779 12.159 1.00 30.20 C ATOM 1205 CG GLU A 76 12.411 19.372 13.536 1.00 14.32 C ATOM 1206 CD GLU A 76 12.989 18.290 14.443 1.00 45.42 C ATOM 1207 OE1 GLU A 76 12.321 17.240 14.627 1.00 65.35 O ATOM 1208 OE2 GLU A 76 14.132 18.466 14.926 1.00 30.00 O ATOM 0 H GLU A 76 9.911 19.969 11.658 1.00 44.12 H new ATOM 0 HA GLU A 76 12.700 20.580 11.097 1.00 32.31 H new ATOM 0 HB2 GLU A 76 11.209 18.160 12.228 1.00 30.20 H new ATOM 0 HB3 GLU A 76 12.923 18.124 11.862 1.00 30.20 H new ATOM 0 HG2 GLU A 76 13.119 20.195 13.439 1.00 14.32 H new ATOM 0 HG3 GLU A 76 11.503 19.783 13.977 1.00 14.32 H new ATOM 1215 N GLY A 77 10.936 19.351 8.815 1.00 53.04 N ATOM 1216 CA GLY A 77 11.026 18.751 7.476 1.00 24.50 C ATOM 1217 C GLY A 77 9.918 19.108 6.486 1.00 72.33 C ATOM 1218 O GLY A 77 10.137 18.992 5.277 1.00 32.24 O ATOM 0 H GLY A 77 10.081 19.876 9.001 1.00 53.04 H new ATOM 0 HA2 GLY A 77 11.981 19.041 7.037 1.00 24.50 H new ATOM 0 HA3 GLY A 77 11.044 17.667 7.590 1.00 24.50 H new ATOM 1222 N GLY A 78 8.755 19.568 6.936 1.00 23.13 N ATOM 1223 CA GLY A 78 7.656 19.936 6.063 1.00 10.14 C ATOM 1224 C GLY A 78 6.338 19.522 6.685 1.00 62.45 C ATOM 1225 O GLY A 78 6.276 19.091 7.836 1.00 61.03 O ATOM 0 H GLY A 78 8.551 19.695 7.927 1.00 23.13 H new ATOM 0 HA2 GLY A 78 7.663 21.012 5.890 1.00 10.14 H new ATOM 0 HA3 GLY A 78 7.776 19.456 5.092 1.00 10.14 H new ATOM 1229 N ILE A 79 5.269 19.579 5.900 1.00 72.42 N ATOM 1230 CA ILE A 79 3.998 19.040 6.329 1.00 14.23 C ATOM 1231 C ILE A 79 3.967 17.568 5.946 1.00 64.44 C ATOM 1232 O ILE A 79 3.761 17.278 4.777 1.00 22.00 O ATOM 1233 CB ILE A 79 2.856 19.898 5.745 1.00 3.22 C ATOM 1234 CG1 ILE A 79 3.038 21.376 6.164 1.00 10.40 C ATOM 1235 CG2 ILE A 79 1.509 19.338 6.205 1.00 30.43 C ATOM 1236 CD1 ILE A 79 1.849 22.294 5.864 1.00 21.24 C ATOM 0 H ILE A 79 5.263 19.993 4.968 1.00 72.42 H new ATOM 0 HA ILE A 79 3.860 19.085 7.409 1.00 14.23 H new ATOM 0 HB ILE A 79 2.882 19.860 4.656 1.00 3.22 H new ATOM 0 HG12 ILE A 79 3.241 21.410 7.234 1.00 10.40 H new ATOM 0 HG13 ILE A 79 3.919 21.773 5.660 1.00 10.40 H new ATOM 0 HG21 ILE A 79 0.703 19.944 5.792 1.00 30.43 H new ATOM 0 HG22 ILE A 79 1.404 18.310 5.857 1.00 30.43 H new ATOM 0 HG23 ILE A 79 1.459 19.360 7.294 1.00 30.43 H new ATOM 0 HD11 ILE A 79 2.078 23.307 6.196 1.00 21.24 H new ATOM 0 HD12 ILE A 79 1.655 22.299 4.791 1.00 21.24 H new ATOM 0 HD13 ILE A 79 0.967 21.930 6.391 1.00 21.24 H new ATOM 1248 N TYR A 80 4.223 16.650 6.879 1.00 5.34 N ATOM 1249 CA TYR A 80 4.007 15.223 6.663 1.00 42.51 C ATOM 1250 C TYR A 80 2.499 14.996 6.716 1.00 13.51 C ATOM 1251 O TYR A 80 1.864 15.341 7.709 1.00 34.41 O ATOM 1252 CB TYR A 80 4.728 14.380 7.725 1.00 22.11 C ATOM 1253 CG TYR A 80 5.106 12.983 7.248 1.00 70.03 C ATOM 1254 CD1 TYR A 80 6.263 12.791 6.467 1.00 61.24 C ATOM 1255 CD2 TYR A 80 4.321 11.867 7.597 1.00 30.22 C ATOM 1256 CE1 TYR A 80 6.659 11.500 6.066 1.00 73.51 C ATOM 1257 CE2 TYR A 80 4.701 10.572 7.193 1.00 3.52 C ATOM 1258 CZ TYR A 80 5.880 10.378 6.436 1.00 42.11 C ATOM 1259 OH TYR A 80 6.249 9.112 6.078 1.00 14.30 O ATOM 0 H TYR A 80 4.586 16.877 7.805 1.00 5.34 H new ATOM 0 HA TYR A 80 4.415 14.915 5.701 1.00 42.51 H new ATOM 0 HB2 TYR A 80 5.631 14.903 8.039 1.00 22.11 H new ATOM 0 HB3 TYR A 80 4.088 14.293 8.603 1.00 22.11 H new ATOM 0 HD1 TYR A 80 6.854 13.645 6.172 1.00 61.24 H new ATOM 0 HD2 TYR A 80 3.421 12.005 8.178 1.00 30.22 H new ATOM 0 HE1 TYR A 80 7.555 11.367 5.478 1.00 73.51 H new ATOM 0 HE2 TYR A 80 4.089 9.724 7.462 1.00 3.52 H new ATOM 0 HH TYR A 80 7.118 9.140 5.625 1.00 14.30 H new ATOM 1269 N VAL A 81 1.876 14.499 5.659 1.00 61.25 N ATOM 1270 CA VAL A 81 0.436 14.327 5.579 1.00 62.15 C ATOM 1271 C VAL A 81 0.089 13.106 4.758 1.00 21.10 C ATOM 1272 O VAL A 81 0.804 12.761 3.819 1.00 31.04 O ATOM 1273 CB VAL A 81 -0.228 15.643 5.162 1.00 13.21 C ATOM 1274 CG1 VAL A 81 0.427 16.421 4.047 1.00 44.24 C ATOM 1275 CG2 VAL A 81 -1.707 15.533 4.763 1.00 70.44 C ATOM 0 H VAL A 81 2.368 14.199 4.817 1.00 61.25 H new ATOM 0 HA VAL A 81 0.013 14.108 6.559 1.00 62.15 H new ATOM 0 HB VAL A 81 -0.104 16.180 6.102 1.00 13.21 H new ATOM 0 HG11 VAL A 81 -0.144 17.329 3.853 1.00 44.24 H new ATOM 0 HG12 VAL A 81 1.444 16.687 4.337 1.00 44.24 H new ATOM 0 HG13 VAL A 81 0.455 15.810 3.145 1.00 44.24 H new ATOM 0 HG21 VAL A 81 -2.083 16.518 4.485 1.00 70.44 H new ATOM 0 HG22 VAL A 81 -1.806 14.854 3.916 1.00 70.44 H new ATOM 0 HG23 VAL A 81 -2.283 15.149 5.605 1.00 70.44 H new ATOM 1285 N SER A 82 -1.016 12.473 5.143 1.00 31.21 N ATOM 1286 CA SER A 82 -1.399 11.143 4.722 1.00 14.52 C ATOM 1287 C SER A 82 -2.859 11.217 4.270 1.00 11.53 C ATOM 1288 O SER A 82 -3.753 11.045 5.095 1.00 32.14 O ATOM 1289 CB SER A 82 -1.200 10.199 5.925 1.00 74.44 C ATOM 1290 OG SER A 82 0.092 10.341 6.495 1.00 61.15 O ATOM 0 H SER A 82 -1.690 12.895 5.781 1.00 31.21 H new ATOM 0 HA SER A 82 -0.801 10.763 3.894 1.00 14.52 H new ATOM 0 HB2 SER A 82 -1.957 10.409 6.681 1.00 74.44 H new ATOM 0 HB3 SER A 82 -1.346 9.167 5.606 1.00 74.44 H new ATOM 0 HG SER A 82 0.183 9.730 7.255 1.00 61.15 H new ATOM 1296 N LYS A 83 -3.149 11.587 3.019 1.00 52.12 N ATOM 1297 CA LYS A 83 -4.507 11.925 2.588 1.00 44.42 C ATOM 1298 C LYS A 83 -5.064 10.946 1.553 1.00 33.32 C ATOM 1299 O LYS A 83 -4.492 9.900 1.246 1.00 63.03 O ATOM 1300 CB LYS A 83 -4.545 13.390 2.099 1.00 33.01 C ATOM 1301 CG LYS A 83 -5.102 14.386 3.127 1.00 64.02 C ATOM 1302 CD LYS A 83 -5.936 15.514 2.486 1.00 22.03 C ATOM 1303 CE LYS A 83 -5.158 16.372 1.473 1.00 63.05 C ATOM 1304 NZ LYS A 83 -5.463 16.045 0.063 1.00 14.31 N ATOM 0 H LYS A 83 -2.451 11.660 2.279 1.00 52.12 H new ATOM 0 HA LYS A 83 -5.170 11.830 3.448 1.00 44.42 H new ATOM 0 HB2 LYS A 83 -3.535 13.695 1.825 1.00 33.01 H new ATOM 0 HB3 LYS A 83 -5.151 13.443 1.194 1.00 33.01 H new ATOM 0 HG2 LYS A 83 -5.720 13.849 3.846 1.00 64.02 H new ATOM 0 HG3 LYS A 83 -4.274 14.826 3.684 1.00 64.02 H new ATOM 0 HD2 LYS A 83 -6.799 15.074 1.986 1.00 22.03 H new ATOM 0 HD3 LYS A 83 -6.320 16.161 3.275 1.00 22.03 H new ATOM 0 HE2 LYS A 83 -5.384 17.423 1.651 1.00 63.05 H new ATOM 0 HE3 LYS A 83 -4.089 16.242 1.644 1.00 63.05 H new ATOM 0 HZ1 LYS A 83 -5.055 16.773 -0.558 1.00 14.31 H new ATOM 0 HZ2 LYS A 83 -5.055 15.119 -0.175 1.00 14.31 H new ATOM 0 HZ3 LYS A 83 -6.494 16.014 -0.071 1.00 14.31 H new ATOM 1318 N PHE A 84 -6.264 11.272 1.074 1.00 44.22 N ATOM 1319 CA PHE A 84 -6.822 10.900 -0.211 1.00 51.42 C ATOM 1320 C PHE A 84 -6.489 12.049 -1.186 1.00 22.24 C ATOM 1321 O PHE A 84 -7.056 13.132 -1.057 1.00 41.23 O ATOM 1322 CB PHE A 84 -8.327 10.634 -0.057 1.00 45.22 C ATOM 1323 CG PHE A 84 -9.109 11.727 0.651 1.00 52.31 C ATOM 1324 CD1 PHE A 84 -9.160 11.781 2.057 1.00 61.34 C ATOM 1325 CD2 PHE A 84 -9.779 12.701 -0.105 1.00 71.34 C ATOM 1326 CE1 PHE A 84 -9.870 12.809 2.700 1.00 71.43 C ATOM 1327 CE2 PHE A 84 -10.502 13.720 0.530 1.00 54.15 C ATOM 1328 CZ PHE A 84 -10.543 13.777 1.932 1.00 25.21 C ATOM 0 H PHE A 84 -6.911 11.843 1.617 1.00 44.22 H new ATOM 0 HA PHE A 84 -6.399 9.977 -0.607 1.00 51.42 H new ATOM 0 HB2 PHE A 84 -8.757 10.486 -1.048 1.00 45.22 H new ATOM 0 HB3 PHE A 84 -8.460 9.701 0.491 1.00 45.22 H new ATOM 0 HD1 PHE A 84 -8.652 11.030 2.643 1.00 61.34 H new ATOM 0 HD2 PHE A 84 -9.737 12.665 -1.184 1.00 71.34 H new ATOM 0 HE1 PHE A 84 -9.899 12.856 3.779 1.00 71.43 H new ATOM 0 HE2 PHE A 84 -11.026 14.459 -0.058 1.00 54.15 H new ATOM 0 HZ PHE A 84 -11.093 14.566 2.423 1.00 25.21 H new ATOM 1338 N THR A 85 -5.550 11.864 -2.113 1.00 62.44 N ATOM 1339 CA THR A 85 -5.232 12.822 -3.182 1.00 45.51 C ATOM 1340 C THR A 85 -6.277 12.742 -4.301 1.00 44.43 C ATOM 1341 O THR A 85 -6.584 13.737 -4.961 1.00 3.43 O ATOM 1342 CB THR A 85 -3.785 12.597 -3.669 1.00 23.41 C ATOM 1343 OG1 THR A 85 -3.327 13.589 -4.566 1.00 33.32 O ATOM 1344 CG2 THR A 85 -3.560 11.217 -4.264 1.00 30.23 C ATOM 0 H THR A 85 -4.972 11.024 -2.146 1.00 62.44 H new ATOM 0 HA THR A 85 -5.280 13.842 -2.800 1.00 45.51 H new ATOM 0 HB THR A 85 -3.189 12.675 -2.760 1.00 23.41 H new ATOM 0 HG1 THR A 85 -2.406 13.388 -4.834 1.00 33.32 H new ATOM 0 HG21 THR A 85 -2.523 11.125 -4.587 1.00 30.23 H new ATOM 0 HG22 THR A 85 -3.776 10.457 -3.513 1.00 30.23 H new ATOM 0 HG23 THR A 85 -4.220 11.078 -5.120 1.00 30.23 H new ATOM 1352 N LEU A 86 -6.890 11.567 -4.475 1.00 70.05 N ATOM 1353 CA LEU A 86 -7.930 11.315 -5.454 1.00 24.40 C ATOM 1354 C LEU A 86 -9.039 10.553 -4.739 1.00 2.34 C ATOM 1355 O LEU A 86 -8.938 9.352 -4.496 1.00 31.41 O ATOM 1356 CB LEU A 86 -7.357 10.557 -6.661 1.00 3.11 C ATOM 1357 CG LEU A 86 -8.385 10.363 -7.783 1.00 4.12 C ATOM 1358 CD1 LEU A 86 -8.509 11.662 -8.578 1.00 61.41 C ATOM 1359 CD2 LEU A 86 -7.999 9.193 -8.697 1.00 23.30 C ATOM 0 H LEU A 86 -6.662 10.745 -3.916 1.00 70.05 H new ATOM 0 HA LEU A 86 -8.339 12.241 -5.859 1.00 24.40 H new ATOM 0 HB2 LEU A 86 -6.498 11.102 -7.052 1.00 3.11 H new ATOM 0 HB3 LEU A 86 -6.995 9.582 -6.334 1.00 3.11 H new ATOM 0 HG LEU A 86 -9.351 10.117 -7.341 1.00 4.12 H new ATOM 0 HD11 LEU A 86 -9.238 11.531 -9.377 1.00 61.41 H new ATOM 0 HD12 LEU A 86 -8.836 12.464 -7.916 1.00 61.41 H new ATOM 0 HD13 LEU A 86 -7.541 11.919 -9.008 1.00 61.41 H new ATOM 0 HD21 LEU A 86 -8.748 9.082 -9.482 1.00 23.30 H new ATOM 0 HD22 LEU A 86 -7.027 9.389 -9.148 1.00 23.30 H new ATOM 0 HD23 LEU A 86 -7.948 8.275 -8.111 1.00 23.30 H new ATOM 1371 N ASN A 87 -10.078 11.295 -4.365 1.00 64.42 N ATOM 1372 CA ASN A 87 -11.360 10.827 -3.833 1.00 54.22 C ATOM 1373 C ASN A 87 -12.266 10.319 -4.967 1.00 24.43 C ATOM 1374 O ASN A 87 -13.484 10.511 -4.929 1.00 32.10 O ATOM 1375 CB ASN A 87 -12.042 11.954 -3.018 1.00 4.14 C ATOM 1376 CG ASN A 87 -11.911 13.325 -3.673 1.00 44.14 C ATOM 1377 OD1 ASN A 87 -12.663 13.704 -4.569 1.00 51.25 O ATOM 1378 ND2 ASN A 87 -10.886 14.073 -3.291 1.00 24.04 N ATOM 0 H ASN A 87 -10.046 12.312 -4.429 1.00 64.42 H new ATOM 0 HA ASN A 87 -11.180 9.988 -3.161 1.00 54.22 H new ATOM 0 HB2 ASN A 87 -13.098 11.716 -2.893 1.00 4.14 H new ATOM 0 HB3 ASN A 87 -11.603 11.990 -2.021 1.00 4.14 H new ATOM 0 HD21 ASN A 87 -10.715 14.972 -3.741 1.00 24.04 H new ATOM 0 HD22 ASN A 87 -10.268 13.750 -2.547 1.00 24.04 H new ATOM 1385 N GLU A 88 -11.702 9.700 -6.009 1.00 34.33 N ATOM 1386 CA GLU A 88 -12.521 9.050 -7.018 1.00 22.32 C ATOM 1387 C GLU A 88 -13.153 7.794 -6.424 1.00 34.00 C ATOM 1388 O GLU A 88 -12.615 7.177 -5.501 1.00 12.13 O ATOM 1389 CB GLU A 88 -11.711 8.748 -8.283 1.00 5.53 C ATOM 1390 CG GLU A 88 -11.632 10.010 -9.143 1.00 32.13 C ATOM 1391 CD GLU A 88 -12.975 10.459 -9.720 1.00 21.14 C ATOM 1392 OE1 GLU A 88 -13.640 9.679 -10.431 1.00 51.32 O ATOM 1393 OE2 GLU A 88 -13.367 11.611 -9.401 1.00 5.40 O ATOM 0 H GLU A 88 -10.696 9.639 -6.169 1.00 34.33 H new ATOM 0 HA GLU A 88 -13.321 9.725 -7.322 1.00 22.32 H new ATOM 0 HB2 GLU A 88 -10.709 8.412 -8.016 1.00 5.53 H new ATOM 0 HB3 GLU A 88 -12.179 7.940 -8.845 1.00 5.53 H new ATOM 0 HG2 GLU A 88 -11.218 10.820 -8.543 1.00 32.13 H new ATOM 0 HG3 GLU A 88 -10.937 9.834 -9.964 1.00 32.13 H new ATOM 1400 N PRO A 89 -14.330 7.413 -6.930 1.00 50.13 N ATOM 1401 CA PRO A 89 -15.258 6.601 -6.168 1.00 34.30 C ATOM 1402 C PRO A 89 -14.799 5.155 -6.075 1.00 73.24 C ATOM 1403 O PRO A 89 -14.925 4.526 -5.027 1.00 11.53 O ATOM 1404 CB PRO A 89 -16.583 6.730 -6.913 1.00 23.30 C ATOM 1405 CG PRO A 89 -16.204 7.094 -8.346 1.00 53.23 C ATOM 1406 CD PRO A 89 -14.902 7.860 -8.190 1.00 34.13 C ATOM 0 HA PRO A 89 -15.338 6.934 -5.133 1.00 34.30 H new ATOM 0 HB2 PRO A 89 -17.146 5.797 -6.880 1.00 23.30 H new ATOM 0 HB3 PRO A 89 -17.213 7.498 -6.465 1.00 23.30 H new ATOM 0 HG2 PRO A 89 -16.074 6.206 -8.964 1.00 53.23 H new ATOM 0 HG3 PRO A 89 -16.973 7.703 -8.821 1.00 53.23 H new ATOM 0 HD2 PRO A 89 -14.226 7.656 -9.021 1.00 34.13 H new ATOM 0 HD3 PRO A 89 -15.079 8.935 -8.180 1.00 34.13 H new ATOM 1414 N LYS A 90 -14.303 4.631 -7.195 1.00 61.35 N ATOM 1415 CA LYS A 90 -13.817 3.266 -7.390 1.00 65.11 C ATOM 1416 C LYS A 90 -12.277 3.229 -7.493 1.00 14.34 C ATOM 1417 O LYS A 90 -11.716 2.144 -7.613 1.00 10.23 O ATOM 1418 CB LYS A 90 -14.489 2.676 -8.653 1.00 5.24 C ATOM 1419 CG LYS A 90 -15.872 2.008 -8.483 1.00 1.23 C ATOM 1420 CD LYS A 90 -17.030 2.837 -7.899 1.00 33.34 C ATOM 1421 CE LYS A 90 -17.167 2.609 -6.383 1.00 43.24 C ATOM 1422 NZ LYS A 90 -18.382 3.239 -5.812 1.00 32.23 N ATOM 0 H LYS A 90 -14.225 5.186 -8.047 1.00 61.35 H new ATOM 0 HA LYS A 90 -14.083 2.657 -6.526 1.00 65.11 H new ATOM 0 HB2 LYS A 90 -14.591 3.478 -9.385 1.00 5.24 H new ATOM 0 HB3 LYS A 90 -13.810 1.938 -9.081 1.00 5.24 H new ATOM 0 HG2 LYS A 90 -16.186 1.646 -9.462 1.00 1.23 H new ATOM 0 HG3 LYS A 90 -15.740 1.133 -7.847 1.00 1.23 H new ATOM 0 HD2 LYS A 90 -16.859 3.895 -8.096 1.00 33.34 H new ATOM 0 HD3 LYS A 90 -17.962 2.566 -8.396 1.00 33.34 H new ATOM 0 HE2 LYS A 90 -17.191 1.538 -6.183 1.00 43.24 H new ATOM 0 HE3 LYS A 90 -16.286 3.008 -5.880 1.00 43.24 H new ATOM 0 HZ1 LYS A 90 -18.354 3.171 -4.775 1.00 32.23 H new ATOM 0 HZ2 LYS A 90 -18.418 4.240 -6.092 1.00 32.23 H new ATOM 0 HZ3 LYS A 90 -19.227 2.749 -6.168 1.00 32.23 H new ATOM 1436 N HIS A 91 -11.593 4.378 -7.416 1.00 32.10 N ATOM 1437 CA HIS A 91 -10.172 4.559 -7.711 1.00 42.51 C ATOM 1438 C HIS A 91 -9.588 5.369 -6.548 1.00 65.05 C ATOM 1439 O HIS A 91 -9.310 6.558 -6.697 1.00 32.23 O ATOM 1440 CB HIS A 91 -10.035 5.325 -9.050 1.00 32.23 C ATOM 1441 CG HIS A 91 -8.639 5.551 -9.582 1.00 42.43 C ATOM 1442 ND1 HIS A 91 -8.304 6.488 -10.536 1.00 50.25 N ATOM 1443 CD2 HIS A 91 -7.489 4.893 -9.235 1.00 30.41 C ATOM 1444 CE1 HIS A 91 -6.979 6.431 -10.728 1.00 43.22 C ATOM 1445 NE2 HIS A 91 -6.439 5.450 -9.979 1.00 65.12 N ATOM 0 H HIS A 91 -12.042 5.249 -7.131 1.00 32.10 H new ATOM 0 HA HIS A 91 -9.643 3.611 -7.812 1.00 42.51 H new ATOM 0 HB2 HIS A 91 -10.601 4.783 -9.808 1.00 32.23 H new ATOM 0 HB3 HIS A 91 -10.512 6.298 -8.932 1.00 32.23 H new ATOM 0 HD2 HIS A 91 -7.406 4.090 -8.518 1.00 30.41 H new ATOM 0 HE1 HIS A 91 -6.423 7.079 -11.389 1.00 43.22 H new ATOM 0 HE2 HIS A 91 -5.459 5.168 -9.957 1.00 65.12 H new ATOM 1453 N LYS A 92 -9.475 4.775 -5.356 1.00 25.11 N ATOM 1454 CA LYS A 92 -9.200 5.559 -4.150 1.00 44.41 C ATOM 1455 C LYS A 92 -7.752 5.363 -3.728 1.00 11.30 C ATOM 1456 O LYS A 92 -7.362 4.304 -3.225 1.00 33.21 O ATOM 1457 CB LYS A 92 -10.213 5.280 -3.035 1.00 11.23 C ATOM 1458 CG LYS A 92 -10.057 6.359 -1.945 1.00 12.41 C ATOM 1459 CD LYS A 92 -10.927 6.083 -0.718 1.00 4.34 C ATOM 1460 CE LYS A 92 -10.414 6.819 0.531 1.00 51.51 C ATOM 1461 NZ LYS A 92 -9.553 5.954 1.368 1.00 71.12 N ATOM 0 H LYS A 92 -9.568 3.771 -5.202 1.00 25.11 H new ATOM 0 HA LYS A 92 -9.329 6.617 -4.377 1.00 44.41 H new ATOM 0 HB2 LYS A 92 -11.227 5.290 -3.434 1.00 11.23 H new ATOM 0 HB3 LYS A 92 -10.047 4.289 -2.612 1.00 11.23 H new ATOM 0 HG2 LYS A 92 -9.012 6.414 -1.640 1.00 12.41 H new ATOM 0 HG3 LYS A 92 -10.320 7.332 -2.361 1.00 12.41 H new ATOM 0 HD2 LYS A 92 -11.952 6.391 -0.924 1.00 4.34 H new ATOM 0 HD3 LYS A 92 -10.949 5.011 -0.523 1.00 4.34 H new ATOM 0 HE2 LYS A 92 -9.854 7.703 0.227 1.00 51.51 H new ATOM 0 HE3 LYS A 92 -11.262 7.167 1.121 1.00 51.51 H new ATOM 0 HZ1 LYS A 92 -9.228 6.488 2.199 1.00 71.12 H new ATOM 0 HZ2 LYS A 92 -10.095 5.123 1.680 1.00 71.12 H new ATOM 0 HZ3 LYS A 92 -8.730 5.643 0.813 1.00 71.12 H new ATOM 1475 N ILE A 93 -6.954 6.397 -3.941 1.00 11.34 N ATOM 1476 CA ILE A 93 -5.550 6.488 -3.560 1.00 41.43 C ATOM 1477 C ILE A 93 -5.473 6.567 -2.027 1.00 41.43 C ATOM 1478 O ILE A 93 -6.457 6.906 -1.359 1.00 73.02 O ATOM 1479 CB ILE A 93 -4.939 7.730 -4.263 1.00 1.30 C ATOM 1480 CG1 ILE A 93 -5.303 7.794 -5.764 1.00 64.52 C ATOM 1481 CG2 ILE A 93 -3.412 7.848 -4.123 1.00 23.54 C ATOM 1482 CD1 ILE A 93 -4.775 6.699 -6.682 1.00 13.24 C ATOM 0 H ILE A 93 -7.284 7.241 -4.409 1.00 11.34 H new ATOM 0 HA ILE A 93 -4.976 5.616 -3.873 1.00 41.43 H new ATOM 0 HB ILE A 93 -5.388 8.572 -3.736 1.00 1.30 H new ATOM 0 HG12 ILE A 93 -6.390 7.798 -5.843 1.00 64.52 H new ATOM 0 HG13 ILE A 93 -4.952 8.750 -6.151 1.00 64.52 H new ATOM 0 HG21 ILE A 93 -3.067 8.742 -4.642 1.00 23.54 H new ATOM 0 HG22 ILE A 93 -3.148 7.917 -3.068 1.00 23.54 H new ATOM 0 HG23 ILE A 93 -2.938 6.969 -4.559 1.00 23.54 H new ATOM 0 HD11 ILE A 93 -5.115 6.883 -7.701 1.00 13.24 H new ATOM 0 HD12 ILE A 93 -3.685 6.698 -6.658 1.00 13.24 H new ATOM 0 HD13 ILE A 93 -5.146 5.731 -6.345 1.00 13.24 H new ATOM 1494 N PHE A 94 -4.324 6.240 -1.447 1.00 3.41 N ATOM 1495 CA PHE A 94 -3.969 6.589 -0.081 1.00 74.43 C ATOM 1496 C PHE A 94 -2.468 6.856 -0.093 1.00 2.52 C ATOM 1497 O PHE A 94 -1.679 5.937 -0.333 1.00 30.12 O ATOM 1498 CB PHE A 94 -4.385 5.471 0.883 1.00 62.31 C ATOM 1499 CG PHE A 94 -4.201 5.798 2.351 1.00 14.21 C ATOM 1500 CD1 PHE A 94 -4.736 6.981 2.900 1.00 33.22 C ATOM 1501 CD2 PHE A 94 -3.499 4.907 3.180 1.00 73.02 C ATOM 1502 CE1 PHE A 94 -4.544 7.274 4.261 1.00 61.25 C ATOM 1503 CE2 PHE A 94 -3.318 5.196 4.541 1.00 72.35 C ATOM 1504 CZ PHE A 94 -3.840 6.382 5.082 1.00 4.43 C ATOM 0 H PHE A 94 -3.596 5.711 -1.928 1.00 3.41 H new ATOM 0 HA PHE A 94 -4.493 7.476 0.275 1.00 74.43 H new ATOM 0 HB2 PHE A 94 -5.433 5.230 0.707 1.00 62.31 H new ATOM 0 HB3 PHE A 94 -3.809 4.576 0.649 1.00 62.31 H new ATOM 0 HD1 PHE A 94 -5.294 7.662 2.275 1.00 33.22 H new ATOM 0 HD2 PHE A 94 -3.096 3.994 2.767 1.00 73.02 H new ATOM 0 HE1 PHE A 94 -4.940 8.189 4.676 1.00 61.25 H new ATOM 0 HE2 PHE A 94 -2.777 4.506 5.172 1.00 72.35 H new ATOM 0 HZ PHE A 94 -3.699 6.607 6.129 1.00 4.43 H new ATOM 1514 N GLU A 95 -2.043 8.113 0.021 1.00 11.50 N ATOM 1515 CA GLU A 95 -0.658 8.506 -0.214 1.00 50.24 C ATOM 1516 C GLU A 95 -0.202 9.339 0.976 1.00 22.41 C ATOM 1517 O GLU A 95 -1.029 9.999 1.616 1.00 4.20 O ATOM 1518 CB GLU A 95 -0.522 9.161 -1.612 1.00 24.52 C ATOM 1519 CG GLU A 95 -0.553 10.675 -1.874 1.00 25.31 C ATOM 1520 CD GLU A 95 -1.572 11.571 -1.164 1.00 41.43 C ATOM 1521 OE1 GLU A 95 -2.686 11.110 -0.834 1.00 50.53 O ATOM 1522 OE2 GLU A 95 -1.361 12.805 -1.113 1.00 53.04 O ATOM 0 H GLU A 95 -2.653 8.889 0.280 1.00 11.50 H new ATOM 0 HA GLU A 95 0.024 7.657 -0.263 1.00 50.24 H new ATOM 0 HB2 GLU A 95 0.423 8.804 -2.021 1.00 24.52 H new ATOM 0 HB3 GLU A 95 -1.316 8.733 -2.224 1.00 24.52 H new ATOM 0 HG2 GLU A 95 0.437 11.062 -1.634 1.00 25.31 H new ATOM 0 HG3 GLU A 95 -0.697 10.812 -2.946 1.00 25.31 H new ATOM 1529 N ALA A 96 1.077 9.224 1.335 1.00 74.42 N ATOM 1530 CA ALA A 96 1.651 9.981 2.421 1.00 13.42 C ATOM 1531 C ALA A 96 3.109 10.308 2.156 1.00 54.05 C ATOM 1532 O ALA A 96 3.819 9.603 1.428 1.00 70.22 O ATOM 1533 CB ALA A 96 1.523 9.231 3.751 1.00 64.14 C ATOM 0 H ALA A 96 1.737 8.598 0.872 1.00 74.42 H new ATOM 0 HA ALA A 96 1.091 10.914 2.490 1.00 13.42 H new ATOM 0 HB1 ALA A 96 1.965 9.828 4.549 1.00 64.14 H new ATOM 0 HB2 ALA A 96 0.470 9.055 3.970 1.00 64.14 H new ATOM 0 HB3 ALA A 96 2.043 8.276 3.682 1.00 64.14 H new ATOM 1539 N GLY A 97 3.556 11.347 2.845 1.00 32.32 N ATOM 1540 CA GLY A 97 4.859 11.948 2.683 1.00 31.34 C ATOM 1541 C GLY A 97 4.746 13.427 3.004 1.00 12.44 C ATOM 1542 O GLY A 97 3.784 13.866 3.640 1.00 71.51 O ATOM 0 H GLY A 97 2.993 11.809 3.560 1.00 32.32 H new ATOM 0 HA2 GLY A 97 5.582 11.470 3.344 1.00 31.34 H new ATOM 0 HA3 GLY A 97 5.218 11.807 1.663 1.00 31.34 H new ATOM 1546 N TYR A 98 5.768 14.184 2.627 1.00 61.31 N ATOM 1547 CA TYR A 98 5.849 15.609 2.869 1.00 24.50 C ATOM 1548 C TYR A 98 5.152 16.363 1.734 1.00 32.44 C ATOM 1549 O TYR A 98 5.440 16.113 0.561 1.00 22.31 O ATOM 1550 CB TYR A 98 7.327 15.979 3.015 1.00 23.53 C ATOM 1551 CG TYR A 98 7.874 15.787 4.411 1.00 2.23 C ATOM 1552 CD1 TYR A 98 7.322 16.537 5.458 1.00 11.20 C ATOM 1553 CD2 TYR A 98 8.917 14.878 4.677 1.00 54.31 C ATOM 1554 CE1 TYR A 98 7.791 16.397 6.771 1.00 71.53 C ATOM 1555 CE2 TYR A 98 9.400 14.729 5.990 1.00 74.55 C ATOM 1556 CZ TYR A 98 8.846 15.495 7.041 1.00 52.23 C ATOM 1557 OH TYR A 98 9.316 15.347 8.308 1.00 54.33 O ATOM 0 H TYR A 98 6.579 13.811 2.134 1.00 61.31 H new ATOM 0 HA TYR A 98 5.336 15.891 3.788 1.00 24.50 H new ATOM 0 HB2 TYR A 98 7.912 15.376 2.321 1.00 23.53 H new ATOM 0 HB3 TYR A 98 7.461 17.021 2.724 1.00 23.53 H new ATOM 0 HD1 TYR A 98 6.523 17.233 5.250 1.00 11.20 H new ATOM 0 HD2 TYR A 98 9.345 14.296 3.874 1.00 54.31 H new ATOM 0 HE1 TYR A 98 7.350 16.974 7.571 1.00 71.53 H new ATOM 0 HE2 TYR A 98 10.196 14.028 6.195 1.00 74.55 H new ATOM 0 HH TYR A 98 8.573 15.132 8.910 1.00 54.33 H new ATOM 1567 N GLU A 99 4.254 17.300 2.061 1.00 62.53 N ATOM 1568 CA GLU A 99 3.347 17.940 1.099 1.00 70.24 C ATOM 1569 C GLU A 99 4.100 18.791 0.061 1.00 12.23 C ATOM 1570 O GLU A 99 3.570 19.075 -1.015 1.00 12.44 O ATOM 1571 CB GLU A 99 2.288 18.800 1.826 1.00 25.50 C ATOM 1572 CG GLU A 99 0.844 18.619 1.300 1.00 61.13 C ATOM 1573 CD GLU A 99 0.182 19.812 0.592 1.00 70.44 C ATOM 1574 OE1 GLU A 99 0.368 20.973 1.026 1.00 14.12 O ATOM 1575 OE2 GLU A 99 -0.670 19.602 -0.309 1.00 74.53 O ATOM 0 H GLU A 99 4.135 17.640 3.015 1.00 62.53 H new ATOM 0 HA GLU A 99 2.844 17.136 0.561 1.00 70.24 H new ATOM 0 HB2 GLU A 99 2.308 18.557 2.888 1.00 25.50 H new ATOM 0 HB3 GLU A 99 2.566 19.850 1.734 1.00 25.50 H new ATOM 0 HG2 GLU A 99 0.843 17.777 0.608 1.00 61.13 H new ATOM 0 HG3 GLU A 99 0.213 18.339 2.144 1.00 61.13 H new ATOM 1582 N GLU A 100 5.361 19.143 0.330 1.00 64.53 N ATOM 1583 CA GLU A 100 6.228 19.962 -0.525 1.00 25.40 C ATOM 1584 C GLU A 100 7.455 19.163 -1.008 1.00 42.34 C ATOM 1585 O GLU A 100 8.441 19.742 -1.463 1.00 23.33 O ATOM 1586 CB GLU A 100 6.605 21.281 0.187 1.00 13.40 C ATOM 1587 CG GLU A 100 5.350 22.103 0.533 1.00 45.04 C ATOM 1588 CD GLU A 100 5.618 23.540 0.994 1.00 51.41 C ATOM 1589 OE1 GLU A 100 6.711 23.901 1.468 1.00 3.30 O ATOM 1590 OE2 GLU A 100 4.664 24.359 0.935 1.00 33.51 O ATOM 0 H GLU A 100 5.827 18.852 1.189 1.00 64.53 H new ATOM 0 HA GLU A 100 5.675 20.236 -1.424 1.00 25.40 H new ATOM 0 HB2 GLU A 100 7.161 21.060 1.098 1.00 13.40 H new ATOM 0 HB3 GLU A 100 7.263 21.868 -0.454 1.00 13.40 H new ATOM 0 HG2 GLU A 100 4.703 22.134 -0.343 1.00 45.04 H new ATOM 0 HG3 GLU A 100 4.800 21.583 1.317 1.00 45.04 H new ATOM 1597 N SER A 101 7.400 17.832 -0.912 1.00 3.11 N ATOM 1598 CA SER A 101 8.443 16.890 -1.300 1.00 71.34 C ATOM 1599 C SER A 101 7.794 15.665 -1.969 1.00 62.42 C ATOM 1600 O SER A 101 6.589 15.665 -2.246 1.00 51.31 O ATOM 1601 CB SER A 101 9.233 16.526 -0.040 1.00 30.14 C ATOM 1602 OG SER A 101 10.165 17.523 0.333 1.00 62.44 O ATOM 0 H SER A 101 6.576 17.360 -0.539 1.00 3.11 H new ATOM 0 HA SER A 101 9.132 17.320 -2.027 1.00 71.34 H new ATOM 0 HB2 SER A 101 8.538 16.359 0.783 1.00 30.14 H new ATOM 0 HB3 SER A 101 9.761 15.587 -0.207 1.00 30.14 H new ATOM 0 HG SER A 101 10.640 17.241 1.143 1.00 62.44 H new ATOM 1608 N GLU A 102 8.578 14.649 -2.326 1.00 44.22 N ATOM 1609 CA GLU A 102 8.085 13.357 -2.790 1.00 62.42 C ATOM 1610 C GLU A 102 7.484 12.549 -1.640 1.00 11.31 C ATOM 1611 O GLU A 102 7.792 12.784 -0.467 1.00 33.13 O ATOM 1612 CB GLU A 102 9.197 12.567 -3.484 1.00 65.12 C ATOM 1613 CG GLU A 102 9.225 12.776 -5.007 1.00 41.31 C ATOM 1614 CD GLU A 102 7.997 12.228 -5.751 1.00 33.13 C ATOM 1615 OE1 GLU A 102 7.115 11.567 -5.146 1.00 71.44 O ATOM 1616 OE2 GLU A 102 7.907 12.469 -6.976 1.00 51.02 O ATOM 0 H GLU A 102 9.596 14.704 -2.299 1.00 44.22 H new ATOM 0 HA GLU A 102 7.294 13.544 -3.517 1.00 62.42 H new ATOM 0 HB2 GLU A 102 10.159 12.861 -3.065 1.00 65.12 H new ATOM 0 HB3 GLU A 102 9.068 11.506 -3.271 1.00 65.12 H new ATOM 0 HG2 GLU A 102 9.312 13.843 -5.212 1.00 41.31 H new ATOM 0 HG3 GLU A 102 10.119 12.300 -5.409 1.00 41.31 H new ATOM 1623 N VAL A 103 6.683 11.551 -1.993 1.00 74.51 N ATOM 1624 CA VAL A 103 6.030 10.637 -1.064 1.00 54.12 C ATOM 1625 C VAL A 103 7.012 9.698 -0.363 1.00 2.21 C ATOM 1626 O VAL A 103 8.161 9.526 -0.779 1.00 11.22 O ATOM 1627 CB VAL A 103 4.957 9.817 -1.806 1.00 62.43 C ATOM 1628 CG1 VAL A 103 3.707 10.668 -2.080 1.00 32.52 C ATOM 1629 CG2 VAL A 103 5.530 9.205 -3.098 1.00 74.24 C ATOM 0 H VAL A 103 6.463 11.349 -2.968 1.00 74.51 H new ATOM 0 HA VAL A 103 5.567 11.247 -0.288 1.00 54.12 H new ATOM 0 HB VAL A 103 4.651 8.991 -1.164 1.00 62.43 H new ATOM 0 HG11 VAL A 103 2.965 10.066 -2.605 1.00 32.52 H new ATOM 0 HG12 VAL A 103 3.290 11.016 -1.135 1.00 32.52 H new ATOM 0 HG13 VAL A 103 3.979 11.526 -2.695 1.00 32.52 H new ATOM 0 HG21 VAL A 103 4.754 8.631 -3.604 1.00 74.24 H new ATOM 0 HG22 VAL A 103 5.878 10.002 -3.755 1.00 74.24 H new ATOM 0 HG23 VAL A 103 6.364 8.548 -2.851 1.00 74.24 H new ATOM 1639 N ASP A 104 6.524 9.014 0.671 1.00 52.12 N ATOM 1640 CA ASP A 104 7.260 8.023 1.459 1.00 23.51 C ATOM 1641 C ASP A 104 6.459 6.742 1.703 1.00 50.23 C ATOM 1642 O ASP A 104 6.982 5.737 2.182 1.00 25.24 O ATOM 1643 CB ASP A 104 7.619 8.686 2.784 1.00 14.33 C ATOM 1644 CG ASP A 104 8.648 7.898 3.584 1.00 72.25 C ATOM 1645 OD1 ASP A 104 9.734 7.588 3.036 1.00 73.21 O ATOM 1646 OD2 ASP A 104 8.415 7.669 4.792 1.00 11.24 O ATOM 0 H ASP A 104 5.566 9.139 0.997 1.00 52.12 H new ATOM 0 HA ASP A 104 8.148 7.714 0.908 1.00 23.51 H new ATOM 0 HB2 ASP A 104 8.006 9.686 2.590 1.00 14.33 H new ATOM 0 HB3 ASP A 104 6.715 8.804 3.382 1.00 14.33 H new ATOM 1651 N LEU A 105 5.181 6.752 1.327 1.00 62.24 N ATOM 1652 CA LEU A 105 4.251 5.640 1.505 1.00 41.03 C ATOM 1653 C LEU A 105 3.120 5.835 0.500 1.00 23.12 C ATOM 1654 O LEU A 105 2.493 6.892 0.499 1.00 30.12 O ATOM 1655 CB LEU A 105 3.711 5.681 2.945 1.00 3.13 C ATOM 1656 CG LEU A 105 2.675 4.587 3.274 1.00 44.51 C ATOM 1657 CD1 LEU A 105 3.343 3.312 3.798 1.00 41.34 C ATOM 1658 CD2 LEU A 105 1.701 5.104 4.332 1.00 14.30 C ATOM 0 H LEU A 105 4.752 7.560 0.876 1.00 62.24 H new ATOM 0 HA LEU A 105 4.731 4.675 1.341 1.00 41.03 H new ATOM 0 HB2 LEU A 105 4.549 5.589 3.636 1.00 3.13 H new ATOM 0 HB3 LEU A 105 3.258 6.657 3.122 1.00 3.13 H new ATOM 0 HG LEU A 105 2.147 4.345 2.352 1.00 44.51 H new ATOM 0 HD11 LEU A 105 2.580 2.566 4.018 1.00 41.34 H new ATOM 0 HD12 LEU A 105 4.025 2.922 3.043 1.00 41.34 H new ATOM 0 HD13 LEU A 105 3.900 3.540 4.707 1.00 41.34 H new ATOM 0 HD21 LEU A 105 0.970 4.329 4.563 1.00 14.30 H new ATOM 0 HD22 LEU A 105 2.251 5.365 5.236 1.00 14.30 H new ATOM 0 HD23 LEU A 105 1.187 5.987 3.953 1.00 14.30 H new ATOM 1670 N ARG A 106 2.855 4.862 -0.376 1.00 12.13 N ATOM 1671 CA ARG A 106 1.709 4.924 -1.279 1.00 32.52 C ATOM 1672 C ARG A 106 1.089 3.544 -1.387 1.00 5.04 C ATOM 1673 O ARG A 106 1.784 2.548 -1.584 1.00 22.34 O ATOM 1674 CB ARG A 106 2.092 5.444 -2.672 1.00 63.22 C ATOM 1675 CG ARG A 106 2.644 6.873 -2.713 1.00 11.44 C ATOM 1676 CD ARG A 106 2.404 7.595 -4.045 1.00 62.13 C ATOM 1677 NE ARG A 106 2.856 6.828 -5.218 1.00 74.53 N ATOM 1678 CZ ARG A 106 3.644 7.238 -6.218 1.00 30.33 C ATOM 1679 NH1 ARG A 106 4.119 8.473 -6.248 1.00 62.43 N ATOM 1680 NH2 ARG A 106 3.962 6.394 -7.195 1.00 1.03 N ATOM 0 H ARG A 106 3.422 4.020 -0.477 1.00 12.13 H new ATOM 0 HA ARG A 106 0.989 5.630 -0.865 1.00 32.52 H new ATOM 0 HB2 ARG A 106 2.837 4.773 -3.099 1.00 63.22 H new ATOM 0 HB3 ARG A 106 1.213 5.394 -3.314 1.00 63.22 H new ATOM 0 HG2 ARG A 106 2.187 7.452 -1.910 1.00 11.44 H new ATOM 0 HG3 ARG A 106 3.715 6.844 -2.515 1.00 11.44 H new ATOM 0 HD2 ARG A 106 1.340 7.807 -4.148 1.00 62.13 H new ATOM 0 HD3 ARG A 106 2.920 8.555 -4.027 1.00 62.13 H new ATOM 0 HE ARG A 106 2.527 5.864 -5.275 1.00 74.53 H new ATOM 0 HH11 ARG A 106 3.885 9.128 -5.501 1.00 62.43 H new ATOM 0 HH12 ARG A 106 4.719 8.770 -7.018 1.00 62.43 H new ATOM 0 HH21 ARG A 106 3.605 5.439 -7.180 1.00 1.03 H new ATOM 0 HH22 ARG A 106 4.563 6.702 -7.960 1.00 1.03 H new ATOM 1694 N VAL A 107 -0.232 3.507 -1.283 1.00 25.13 N ATOM 1695 CA VAL A 107 -1.078 2.355 -1.514 1.00 31.30 C ATOM 1696 C VAL A 107 -2.229 2.887 -2.360 1.00 11.21 C ATOM 1697 O VAL A 107 -2.590 4.064 -2.272 1.00 34.53 O ATOM 1698 CB VAL A 107 -1.556 1.770 -0.169 1.00 12.21 C ATOM 1699 CG1 VAL A 107 -2.374 0.491 -0.380 1.00 44.35 C ATOM 1700 CG2 VAL A 107 -0.384 1.415 0.756 1.00 45.53 C ATOM 0 H VAL A 107 -0.770 4.333 -1.019 1.00 25.13 H new ATOM 0 HA VAL A 107 -0.565 1.538 -2.022 1.00 31.30 H new ATOM 0 HB VAL A 107 -2.167 2.547 0.291 1.00 12.21 H new ATOM 0 HG11 VAL A 107 -2.697 0.102 0.586 1.00 44.35 H new ATOM 0 HG12 VAL A 107 -3.248 0.715 -0.992 1.00 44.35 H new ATOM 0 HG13 VAL A 107 -1.760 -0.255 -0.884 1.00 44.35 H new ATOM 0 HG21 VAL A 107 -0.769 1.007 1.691 1.00 45.53 H new ATOM 0 HG22 VAL A 107 0.251 0.674 0.271 1.00 45.53 H new ATOM 0 HG23 VAL A 107 0.199 2.312 0.965 1.00 45.53 H new ATOM 1710 N GLU A 108 -2.810 2.062 -3.216 1.00 1.21 N ATOM 1711 CA GLU A 108 -3.886 2.480 -4.093 1.00 42.23 C ATOM 1712 C GLU A 108 -4.867 1.331 -4.155 1.00 42.34 C ATOM 1713 O GLU A 108 -4.441 0.179 -4.208 1.00 51.41 O ATOM 1714 CB GLU A 108 -3.324 2.823 -5.477 1.00 13.00 C ATOM 1715 CG GLU A 108 -2.375 4.026 -5.406 1.00 13.11 C ATOM 1716 CD GLU A 108 -1.834 4.473 -6.759 1.00 21.33 C ATOM 1717 OE1 GLU A 108 -1.728 3.645 -7.688 1.00 54.34 O ATOM 1718 OE2 GLU A 108 -1.466 5.658 -6.878 1.00 31.10 O ATOM 0 H GLU A 108 -2.547 1.082 -3.321 1.00 1.21 H new ATOM 0 HA GLU A 108 -4.386 3.376 -3.725 1.00 42.23 H new ATOM 0 HB2 GLU A 108 -2.793 1.961 -5.881 1.00 13.00 H new ATOM 0 HB3 GLU A 108 -4.144 3.042 -6.161 1.00 13.00 H new ATOM 0 HG2 GLU A 108 -2.899 4.862 -4.942 1.00 13.11 H new ATOM 0 HG3 GLU A 108 -1.536 3.776 -4.756 1.00 13.11 H new ATOM 1725 N PHE A 109 -6.162 1.630 -4.107 1.00 33.40 N ATOM 1726 CA PHE A 109 -7.211 0.638 -3.957 1.00 51.44 C ATOM 1727 C PHE A 109 -8.224 0.859 -5.071 1.00 25.21 C ATOM 1728 O PHE A 109 -8.925 1.876 -5.094 1.00 22.12 O ATOM 1729 CB PHE A 109 -7.870 0.769 -2.583 1.00 52.41 C ATOM 1730 CG PHE A 109 -6.968 0.574 -1.379 1.00 72.32 C ATOM 1731 CD1 PHE A 109 -6.274 1.666 -0.826 1.00 10.34 C ATOM 1732 CD2 PHE A 109 -6.876 -0.687 -0.762 1.00 53.52 C ATOM 1733 CE1 PHE A 109 -5.537 1.514 0.362 1.00 53.33 C ATOM 1734 CE2 PHE A 109 -6.131 -0.841 0.422 1.00 13.50 C ATOM 1735 CZ PHE A 109 -5.472 0.260 0.991 1.00 32.43 C ATOM 0 H PHE A 109 -6.513 2.585 -4.173 1.00 33.40 H new ATOM 0 HA PHE A 109 -6.799 -0.369 -4.026 1.00 51.44 H new ATOM 0 HB2 PHE A 109 -8.322 1.759 -2.514 1.00 52.41 H new ATOM 0 HB3 PHE A 109 -8.681 0.043 -2.523 1.00 52.41 H new ATOM 0 HD1 PHE A 109 -6.308 2.627 -1.317 1.00 10.34 H new ATOM 0 HD2 PHE A 109 -7.378 -1.538 -1.198 1.00 53.52 H new ATOM 0 HE1 PHE A 109 -5.021 2.361 0.790 1.00 53.33 H new ATOM 0 HE2 PHE A 109 -6.066 -1.810 0.895 1.00 13.50 H new ATOM 0 HZ PHE A 109 -4.917 0.143 1.910 1.00 32.43 H new ATOM 1745 N GLU A 110 -8.279 -0.090 -5.996 1.00 13.53 N ATOM 1746 CA GLU A 110 -9.230 -0.112 -7.093 1.00 13.10 C ATOM 1747 C GLU A 110 -10.355 -1.093 -6.748 1.00 51.51 C ATOM 1748 O GLU A 110 -10.137 -2.090 -6.049 1.00 73.33 O ATOM 1749 CB GLU A 110 -8.517 -0.566 -8.372 1.00 51.11 C ATOM 1750 CG GLU A 110 -7.755 0.564 -9.079 1.00 64.43 C ATOM 1751 CD GLU A 110 -7.176 0.090 -10.421 1.00 13.33 C ATOM 1752 OE1 GLU A 110 -7.930 -0.480 -11.247 1.00 33.12 O ATOM 1753 OE2 GLU A 110 -5.965 0.246 -10.684 1.00 23.43 O ATOM 0 H GLU A 110 -7.643 -0.888 -6.002 1.00 13.53 H new ATOM 0 HA GLU A 110 -9.646 0.883 -7.251 1.00 13.10 H new ATOM 0 HB2 GLU A 110 -7.819 -1.366 -8.126 1.00 51.11 H new ATOM 0 HB3 GLU A 110 -9.252 -0.985 -9.060 1.00 51.11 H new ATOM 0 HG2 GLU A 110 -8.424 1.408 -9.247 1.00 64.43 H new ATOM 0 HG3 GLU A 110 -6.949 0.919 -8.437 1.00 64.43 H new ATOM 1760 N LEU A 111 -11.551 -0.862 -7.293 1.00 54.42 N ATOM 1761 CA LEU A 111 -12.689 -1.766 -7.138 1.00 75.22 C ATOM 1762 C LEU A 111 -12.956 -2.481 -8.449 1.00 73.23 C ATOM 1763 O LEU A 111 -13.298 -1.877 -9.467 1.00 61.40 O ATOM 1764 CB LEU A 111 -13.916 -1.038 -6.597 1.00 74.03 C ATOM 1765 CG LEU A 111 -15.100 -1.941 -6.188 1.00 21.31 C ATOM 1766 CD1 LEU A 111 -16.122 -2.123 -7.293 1.00 54.22 C ATOM 1767 CD2 LEU A 111 -14.747 -3.273 -5.535 1.00 40.43 C ATOM 0 H LEU A 111 -11.757 -0.038 -7.857 1.00 54.42 H new ATOM 0 HA LEU A 111 -12.445 -2.522 -6.392 1.00 75.22 H new ATOM 0 HB2 LEU A 111 -13.615 -0.450 -5.730 1.00 74.03 H new ATOM 0 HB3 LEU A 111 -14.263 -0.335 -7.355 1.00 74.03 H new ATOM 0 HG LEU A 111 -15.559 -1.362 -5.387 1.00 21.31 H new ATOM 0 HD11 LEU A 111 -16.927 -2.768 -6.941 1.00 54.22 H new ATOM 0 HD12 LEU A 111 -16.531 -1.152 -7.574 1.00 54.22 H new ATOM 0 HD13 LEU A 111 -15.644 -2.580 -8.159 1.00 54.22 H new ATOM 0 HD21 LEU A 111 -15.662 -3.814 -5.295 1.00 40.43 H new ATOM 0 HD22 LEU A 111 -14.144 -3.867 -6.222 1.00 40.43 H new ATOM 0 HD23 LEU A 111 -14.182 -3.092 -4.621 1.00 40.43 H new ATOM 1779 N GLN A 112 -12.761 -3.790 -8.413 1.00 53.53 N ATOM 1780 CA GLN A 112 -12.930 -4.667 -9.564 1.00 14.13 C ATOM 1781 C GLN A 112 -14.421 -4.864 -9.802 1.00 31.11 C ATOM 1782 O GLN A 112 -15.175 -4.906 -8.832 1.00 72.32 O ATOM 1783 CB GLN A 112 -12.293 -6.019 -9.286 1.00 1.13 C ATOM 1784 CG GLN A 112 -10.828 -5.935 -8.830 1.00 15.32 C ATOM 1785 CD GLN A 112 -9.909 -5.224 -9.816 1.00 3.42 C ATOM 1786 OE1 GLN A 112 -9.796 -5.636 -10.969 1.00 40.04 O ATOM 1787 NE2 GLN A 112 -9.218 -4.181 -9.394 1.00 12.02 N ATOM 0 H GLN A 112 -12.475 -4.283 -7.567 1.00 53.53 H new ATOM 0 HA GLN A 112 -12.455 -4.221 -10.438 1.00 14.13 H new ATOM 0 HB2 GLN A 112 -12.873 -6.532 -8.519 1.00 1.13 H new ATOM 0 HB3 GLN A 112 -12.348 -6.628 -10.188 1.00 1.13 H new ATOM 0 HG2 GLN A 112 -10.786 -5.417 -7.872 1.00 15.32 H new ATOM 0 HG3 GLN A 112 -10.452 -6.944 -8.663 1.00 15.32 H new ATOM 0 HE21 GLN A 112 -9.325 -3.853 -8.434 1.00 12.02 H new ATOM 0 HE22 GLN A 112 -8.578 -3.703 -10.028 1.00 12.02 H new ATOM 1796 N ALA A 113 -14.835 -5.140 -11.039 1.00 40.53 N ATOM 1797 CA ALA A 113 -16.195 -5.574 -11.349 1.00 32.33 C ATOM 1798 C ALA A 113 -16.638 -6.775 -10.505 1.00 55.20 C ATOM 1799 O ALA A 113 -17.836 -6.935 -10.261 1.00 15.14 O ATOM 1800 CB ALA A 113 -16.284 -5.941 -12.830 1.00 74.43 C ATOM 0 H ALA A 113 -14.232 -5.068 -11.858 1.00 40.53 H new ATOM 0 HA ALA A 113 -16.862 -4.745 -11.113 1.00 32.33 H new ATOM 0 HB1 ALA A 113 -17.298 -6.265 -13.064 1.00 74.43 H new ATOM 0 HB2 ALA A 113 -16.032 -5.071 -13.436 1.00 74.43 H new ATOM 0 HB3 ALA A 113 -15.585 -6.749 -13.047 1.00 74.43 H new ATOM 1806 N ASP A 114 -15.709 -7.606 -10.023 1.00 43.42 N ATOM 1807 CA ASP A 114 -16.015 -8.762 -9.183 1.00 34.23 C ATOM 1808 C ASP A 114 -16.448 -8.337 -7.770 1.00 75.34 C ATOM 1809 O ASP A 114 -16.806 -9.186 -6.952 1.00 51.13 O ATOM 1810 CB ASP A 114 -14.826 -9.743 -9.159 1.00 73.04 C ATOM 1811 CG ASP A 114 -15.235 -11.147 -9.618 1.00 11.51 C ATOM 1812 OD1 ASP A 114 -16.090 -11.766 -8.952 1.00 1.24 O ATOM 1813 OD2 ASP A 114 -14.639 -11.664 -10.593 1.00 62.14 O ATOM 0 H ASP A 114 -14.713 -7.491 -10.209 1.00 43.42 H new ATOM 0 HA ASP A 114 -16.865 -9.286 -9.620 1.00 34.23 H new ATOM 0 HB2 ASP A 114 -14.032 -9.367 -9.804 1.00 73.04 H new ATOM 0 HB3 ASP A 114 -14.419 -9.795 -8.149 1.00 73.04 H new ATOM 1818 N GLY A 115 -16.436 -7.041 -7.439 1.00 24.42 N ATOM 1819 CA GLY A 115 -17.056 -6.520 -6.239 1.00 32.33 C ATOM 1820 C GLY A 115 -16.171 -6.638 -5.010 1.00 4.22 C ATOM 1821 O GLY A 115 -16.617 -6.225 -3.944 1.00 12.14 O ATOM 0 H GLY A 115 -15.988 -6.325 -8.011 1.00 24.42 H new ATOM 0 HA2 GLY A 115 -17.312 -5.472 -6.395 1.00 32.33 H new ATOM 0 HA3 GLY A 115 -17.990 -7.053 -6.059 1.00 32.33 H new ATOM 1825 N LYS A 116 -14.939 -7.164 -5.108 1.00 34.32 N ATOM 1826 CA LYS A 116 -13.962 -7.031 -4.032 1.00 20.01 C ATOM 1827 C LYS A 116 -12.953 -5.984 -4.458 1.00 32.35 C ATOM 1828 O LYS A 116 -12.518 -5.984 -5.615 1.00 1.13 O ATOM 1829 CB LYS A 116 -13.286 -8.362 -3.665 1.00 35.35 C ATOM 1830 CG LYS A 116 -14.219 -9.290 -2.874 1.00 40.52 C ATOM 1831 CD LYS A 116 -14.955 -10.272 -3.788 1.00 74.03 C ATOM 1832 CE LYS A 116 -16.009 -11.039 -2.992 1.00 14.13 C ATOM 1833 NZ LYS A 116 -16.518 -12.206 -3.735 1.00 44.14 N ATOM 0 H LYS A 116 -14.604 -7.682 -5.920 1.00 34.32 H new ATOM 0 HA LYS A 116 -14.472 -6.720 -3.120 1.00 20.01 H new ATOM 0 HB2 LYS A 116 -12.962 -8.866 -4.576 1.00 35.35 H new ATOM 0 HB3 LYS A 116 -12.391 -8.162 -3.076 1.00 35.35 H new ATOM 0 HG2 LYS A 116 -13.639 -9.845 -2.137 1.00 40.52 H new ATOM 0 HG3 LYS A 116 -14.945 -8.692 -2.324 1.00 40.52 H new ATOM 0 HD2 LYS A 116 -15.429 -9.733 -4.608 1.00 74.03 H new ATOM 0 HD3 LYS A 116 -14.245 -10.969 -4.233 1.00 74.03 H new ATOM 0 HE2 LYS A 116 -15.580 -11.370 -2.046 1.00 14.13 H new ATOM 0 HE3 LYS A 116 -16.837 -10.373 -2.751 1.00 14.13 H new ATOM 0 HZ1 LYS A 116 -17.231 -12.699 -3.161 1.00 44.14 H new ATOM 0 HZ2 LYS A 116 -16.950 -11.889 -4.626 1.00 44.14 H new ATOM 0 HZ3 LYS A 116 -15.732 -12.855 -3.943 1.00 44.14 H new ATOM 1847 N TRP A 117 -12.603 -5.117 -3.519 1.00 23.04 N ATOM 1848 CA TRP A 117 -11.530 -4.146 -3.623 1.00 71.02 C ATOM 1849 C TRP A 117 -10.205 -4.886 -3.700 1.00 75.44 C ATOM 1850 O TRP A 117 -10.034 -5.902 -3.020 1.00 32.32 O ATOM 1851 CB TRP A 117 -11.575 -3.243 -2.390 1.00 33.35 C ATOM 1852 CG TRP A 117 -12.751 -2.321 -2.383 1.00 42.32 C ATOM 1853 CD1 TRP A 117 -14.004 -2.594 -1.942 1.00 44.54 C ATOM 1854 CD2 TRP A 117 -12.798 -0.977 -2.940 1.00 33.02 C ATOM 1855 NE1 TRP A 117 -14.825 -1.522 -2.226 1.00 33.24 N ATOM 1856 CE2 TRP A 117 -14.137 -0.502 -2.845 1.00 24.10 C ATOM 1857 CE3 TRP A 117 -11.853 -0.141 -3.576 1.00 31.31 C ATOM 1858 CZ2 TRP A 117 -14.521 0.738 -3.367 1.00 13.34 C ATOM 1859 CZ3 TRP A 117 -12.220 1.124 -4.070 1.00 14.50 C ATOM 1860 CH2 TRP A 117 -13.551 1.564 -3.958 1.00 62.02 C ATOM 0 H TRP A 117 -13.085 -5.072 -2.621 1.00 23.04 H new ATOM 0 HA TRP A 117 -11.641 -3.534 -4.518 1.00 71.02 H new ATOM 0 HB2 TRP A 117 -11.601 -3.863 -1.494 1.00 33.35 H new ATOM 0 HB3 TRP A 117 -10.659 -2.654 -2.344 1.00 33.35 H new ATOM 0 HD1 TRP A 117 -14.310 -3.504 -1.448 1.00 44.54 H new ATOM 0 HE1 TRP A 117 -15.820 -1.489 -2.005 1.00 33.24 H new ATOM 0 HE3 TRP A 117 -10.833 -0.478 -3.685 1.00 31.31 H new ATOM 0 HZ2 TRP A 117 -15.552 1.056 -3.316 1.00 13.34 H new ATOM 0 HZ3 TRP A 117 -11.479 1.757 -4.535 1.00 14.50 H new ATOM 0 HH2 TRP A 117 -13.828 2.540 -4.328 1.00 62.02 H new ATOM 1871 N TYR A 118 -9.289 -4.381 -4.521 1.00 3.52 N ATOM 1872 CA TYR A 118 -7.957 -4.919 -4.727 1.00 15.43 C ATOM 1873 C TYR A 118 -6.980 -3.746 -4.613 1.00 64.32 C ATOM 1874 O TYR A 118 -7.208 -2.694 -5.213 1.00 71.02 O ATOM 1875 CB TYR A 118 -7.872 -5.636 -6.092 1.00 1.53 C ATOM 1876 CG TYR A 118 -8.202 -7.126 -6.065 1.00 11.11 C ATOM 1877 CD1 TYR A 118 -9.465 -7.584 -5.651 1.00 15.24 C ATOM 1878 CD2 TYR A 118 -7.243 -8.075 -6.462 1.00 42.32 C ATOM 1879 CE1 TYR A 118 -9.755 -8.958 -5.580 1.00 12.11 C ATOM 1880 CE2 TYR A 118 -7.505 -9.451 -6.379 1.00 32.55 C ATOM 1881 CZ TYR A 118 -8.764 -9.904 -5.935 1.00 33.23 C ATOM 1882 OH TYR A 118 -9.027 -11.240 -5.927 1.00 53.12 O ATOM 0 H TYR A 118 -9.467 -3.549 -5.084 1.00 3.52 H new ATOM 0 HA TYR A 118 -7.706 -5.672 -3.980 1.00 15.43 H new ATOM 0 HB2 TYR A 118 -8.551 -5.142 -6.787 1.00 1.53 H new ATOM 0 HB3 TYR A 118 -6.864 -5.510 -6.488 1.00 1.53 H new ATOM 0 HD1 TYR A 118 -10.227 -6.867 -5.382 1.00 15.24 H new ATOM 0 HD2 TYR A 118 -6.288 -7.739 -6.837 1.00 42.32 H new ATOM 0 HE1 TYR A 118 -10.730 -9.290 -5.256 1.00 12.11 H new ATOM 0 HE2 TYR A 118 -6.742 -10.163 -6.655 1.00 32.55 H new ATOM 0 HH TYR A 118 -8.225 -11.733 -6.201 1.00 53.12 H new ATOM 1892 N VAL A 119 -5.901 -3.905 -3.841 1.00 51.42 N ATOM 1893 CA VAL A 119 -4.775 -2.980 -3.876 1.00 60.42 C ATOM 1894 C VAL A 119 -4.142 -3.071 -5.273 1.00 60.42 C ATOM 1895 O VAL A 119 -4.216 -4.125 -5.913 1.00 3.21 O ATOM 1896 CB VAL A 119 -3.747 -3.317 -2.772 1.00 31.05 C ATOM 1897 CG1 VAL A 119 -2.631 -2.287 -2.666 1.00 41.42 C ATOM 1898 CG2 VAL A 119 -4.352 -3.538 -1.382 1.00 33.34 C ATOM 0 H VAL A 119 -5.788 -4.674 -3.180 1.00 51.42 H new ATOM 0 HA VAL A 119 -5.115 -1.962 -3.685 1.00 60.42 H new ATOM 0 HB VAL A 119 -3.332 -4.268 -3.105 1.00 31.05 H new ATOM 0 HG11 VAL A 119 -1.941 -2.578 -1.874 1.00 41.42 H new ATOM 0 HG12 VAL A 119 -2.094 -2.233 -3.613 1.00 41.42 H new ATOM 0 HG13 VAL A 119 -3.057 -1.311 -2.435 1.00 41.42 H new ATOM 0 HG21 VAL A 119 -3.558 -3.769 -0.672 1.00 33.34 H new ATOM 0 HG22 VAL A 119 -4.872 -2.634 -1.064 1.00 33.34 H new ATOM 0 HG23 VAL A 119 -5.057 -4.368 -1.420 1.00 33.34 H new ATOM 1908 N VAL A 120 -3.485 -2.009 -5.726 1.00 51.43 N ATOM 1909 CA VAL A 120 -2.764 -1.956 -6.996 1.00 75.42 C ATOM 1910 C VAL A 120 -1.407 -1.244 -6.854 1.00 71.44 C ATOM 1911 O VAL A 120 -0.736 -1.009 -7.860 1.00 31.13 O ATOM 1912 CB VAL A 120 -3.665 -1.328 -8.082 1.00 73.34 C ATOM 1913 CG1 VAL A 120 -4.946 -2.144 -8.317 1.00 75.24 C ATOM 1914 CG2 VAL A 120 -4.054 0.124 -7.767 1.00 32.50 C ATOM 0 H VAL A 120 -3.437 -1.134 -5.205 1.00 51.43 H new ATOM 0 HA VAL A 120 -2.526 -2.972 -7.311 1.00 75.42 H new ATOM 0 HB VAL A 120 -3.060 -1.337 -8.989 1.00 73.34 H new ATOM 0 HG11 VAL A 120 -5.547 -1.663 -9.089 1.00 75.24 H new ATOM 0 HG12 VAL A 120 -4.682 -3.152 -8.638 1.00 75.24 H new ATOM 0 HG13 VAL A 120 -5.519 -2.197 -7.391 1.00 75.24 H new ATOM 0 HG21 VAL A 120 -4.687 0.512 -8.565 1.00 32.50 H new ATOM 0 HG22 VAL A 120 -4.598 0.158 -6.823 1.00 32.50 H new ATOM 0 HG23 VAL A 120 -3.154 0.733 -7.689 1.00 32.50 H new ATOM 1924 N ASP A 121 -0.981 -0.935 -5.622 1.00 3.20 N ATOM 1925 CA ASP A 121 0.312 -0.297 -5.332 1.00 62.53 C ATOM 1926 C ASP A 121 0.817 -0.629 -3.921 1.00 2.10 C ATOM 1927 O ASP A 121 0.012 -0.883 -3.024 1.00 51.41 O ATOM 1928 CB ASP A 121 0.232 1.224 -5.516 1.00 12.24 C ATOM 1929 CG ASP A 121 1.592 1.741 -5.975 1.00 45.42 C ATOM 1930 OD1 ASP A 121 2.550 1.735 -5.175 1.00 25.44 O ATOM 1931 OD2 ASP A 121 1.770 2.068 -7.169 1.00 62.23 O ATOM 0 H ASP A 121 -1.533 -1.124 -4.785 1.00 3.20 H new ATOM 0 HA ASP A 121 1.028 -0.702 -6.047 1.00 62.53 H new ATOM 0 HB2 ASP A 121 -0.533 1.475 -6.250 1.00 12.24 H new ATOM 0 HB3 ASP A 121 -0.056 1.702 -4.580 1.00 12.24 H new ATOM 1936 N CYS A 122 2.135 -0.657 -3.713 1.00 63.15 N ATOM 1937 CA CYS A 122 2.809 -0.980 -2.462 1.00 20.11 C ATOM 1938 C CYS A 122 4.171 -0.258 -2.358 1.00 74.31 C ATOM 1939 O CYS A 122 5.176 -0.900 -2.050 1.00 60.54 O ATOM 1940 CB CYS A 122 2.958 -2.513 -2.420 1.00 44.33 C ATOM 1941 SG CYS A 122 3.350 -3.107 -0.756 1.00 22.23 S ATOM 0 H CYS A 122 2.796 -0.442 -4.460 1.00 63.15 H new ATOM 0 HA CYS A 122 2.230 -0.637 -1.605 1.00 20.11 H new ATOM 0 HB2 CYS A 122 2.033 -2.977 -2.763 1.00 44.33 H new ATOM 0 HB3 CYS A 122 3.744 -2.821 -3.110 1.00 44.33 H new ATOM 0 HG CYS A 122 2.852 -4.296 -0.591 1.00 22.23 H new ATOM 1947 N TYR A 123 4.252 1.045 -2.646 1.00 10.11 N ATOM 1948 CA TYR A 123 5.469 1.829 -2.383 1.00 30.13 C ATOM 1949 C TYR A 123 5.576 2.136 -0.888 1.00 72.42 C ATOM 1950 O TYR A 123 4.573 2.404 -0.215 1.00 51.01 O ATOM 1951 CB TYR A 123 5.444 3.136 -3.176 1.00 54.12 C ATOM 1952 CG TYR A 123 6.481 4.189 -2.803 1.00 50.45 C ATOM 1953 CD1 TYR A 123 7.789 4.120 -3.315 1.00 24.50 C ATOM 1954 CD2 TYR A 123 6.134 5.272 -1.970 1.00 43.15 C ATOM 1955 CE1 TYR A 123 8.729 5.126 -3.019 1.00 52.31 C ATOM 1956 CE2 TYR A 123 7.054 6.291 -1.699 1.00 4.44 C ATOM 1957 CZ TYR A 123 8.359 6.232 -2.221 1.00 43.03 C ATOM 1958 OH TYR A 123 9.264 7.209 -1.930 1.00 14.00 O ATOM 0 H TYR A 123 3.490 1.582 -3.061 1.00 10.11 H new ATOM 0 HA TYR A 123 6.334 1.244 -2.696 1.00 30.13 H new ATOM 0 HB2 TYR A 123 5.570 2.895 -4.231 1.00 54.12 H new ATOM 0 HB3 TYR A 123 4.455 3.580 -3.066 1.00 54.12 H new ATOM 0 HD1 TYR A 123 8.075 3.288 -3.941 1.00 24.50 H new ATOM 0 HD2 TYR A 123 5.146 5.316 -1.536 1.00 43.15 H new ATOM 0 HE1 TYR A 123 9.736 5.052 -3.403 1.00 52.31 H new ATOM 0 HE2 TYR A 123 6.760 7.129 -1.084 1.00 4.44 H new ATOM 0 HH TYR A 123 8.801 7.977 -1.536 1.00 14.00 H new ATOM 1968 N THR A 124 6.799 2.137 -0.376 1.00 64.44 N ATOM 1969 CA THR A 124 7.145 2.458 0.995 1.00 33.24 C ATOM 1970 C THR A 124 8.611 2.892 0.991 1.00 72.33 C ATOM 1971 O THR A 124 9.392 2.491 0.119 1.00 44.23 O ATOM 1972 CB THR A 124 6.862 1.233 1.906 1.00 61.45 C ATOM 1973 OG1 THR A 124 7.576 1.295 3.122 1.00 1.12 O ATOM 1974 CG2 THR A 124 7.216 -0.116 1.270 1.00 41.03 C ATOM 0 H THR A 124 7.617 1.901 -0.938 1.00 64.44 H new ATOM 0 HA THR A 124 6.543 3.271 1.400 1.00 33.24 H new ATOM 0 HB THR A 124 5.786 1.288 2.070 1.00 61.45 H new ATOM 0 HG1 THR A 124 7.956 0.414 3.323 1.00 1.12 H new ATOM 0 HG21 THR A 124 6.989 -0.919 1.971 1.00 41.03 H new ATOM 0 HG22 THR A 124 6.633 -0.253 0.359 1.00 41.03 H new ATOM 0 HG23 THR A 124 8.278 -0.136 1.027 1.00 41.03 H new ATOM 1982 N GLY A 125 9.001 3.678 1.993 1.00 13.04 N ATOM 1983 CA GLY A 125 10.384 4.004 2.273 1.00 50.34 C ATOM 1984 C GLY A 125 11.265 2.774 2.520 1.00 73.35 C ATOM 1985 O GLY A 125 12.485 2.926 2.466 1.00 4.32 O ATOM 0 H GLY A 125 8.345 4.111 2.642 1.00 13.04 H new ATOM 0 HA2 GLY A 125 10.792 4.571 1.436 1.00 50.34 H new ATOM 0 HA3 GLY A 125 10.426 4.653 3.148 1.00 50.34 H new ATOM 1989 N TRP A 126 10.703 1.578 2.776 1.00 12.31 N ATOM 1990 CA TRP A 126 11.475 0.337 2.846 1.00 61.55 C ATOM 1991 C TRP A 126 12.262 0.168 1.551 1.00 42.01 C ATOM 1992 O TRP A 126 13.491 0.232 1.540 1.00 63.31 O ATOM 1993 CB TRP A 126 10.568 -0.887 3.058 1.00 33.32 C ATOM 1994 CG TRP A 126 10.191 -1.154 4.473 1.00 11.13 C ATOM 1995 CD1 TRP A 126 8.940 -1.286 4.960 1.00 24.23 C ATOM 1996 CD2 TRP A 126 11.088 -1.350 5.601 1.00 71.12 C ATOM 1997 NE1 TRP A 126 9.003 -1.534 6.317 1.00 63.12 N ATOM 1998 CE2 TRP A 126 10.306 -1.559 6.773 1.00 63.24 C ATOM 1999 CE3 TRP A 126 12.488 -1.356 5.739 1.00 71.52 C ATOM 2000 CZ2 TRP A 126 10.892 -1.739 8.032 1.00 62.51 C ATOM 2001 CZ3 TRP A 126 13.082 -1.508 6.997 1.00 41.11 C ATOM 2002 CH2 TRP A 126 12.291 -1.701 8.143 1.00 10.11 C ATOM 0 H TRP A 126 9.704 1.452 2.939 1.00 12.31 H new ATOM 0 HA TRP A 126 12.150 0.403 3.699 1.00 61.55 H new ATOM 0 HB2 TRP A 126 9.657 -0.751 2.475 1.00 33.32 H new ATOM 0 HB3 TRP A 126 11.073 -1.767 2.660 1.00 33.32 H new ATOM 0 HD1 TRP A 126 8.032 -1.210 4.380 1.00 24.23 H new ATOM 0 HE1 TRP A 126 8.186 -1.681 6.910 1.00 63.12 H new ATOM 0 HE3 TRP A 126 13.111 -1.242 4.864 1.00 71.52 H new ATOM 0 HZ2 TRP A 126 10.277 -1.905 8.904 1.00 62.51 H new ATOM 0 HZ3 TRP A 126 14.158 -1.477 7.088 1.00 41.11 H new ATOM 0 HH2 TRP A 126 12.760 -1.820 9.109 1.00 10.11 H new ATOM 2013 N TYR A 127 11.538 -0.043 0.450 1.00 23.43 N ATOM 2014 CA TYR A 127 12.112 -0.348 -0.845 1.00 20.40 C ATOM 2015 C TYR A 127 12.124 0.941 -1.668 1.00 70.42 C ATOM 2016 O TYR A 127 11.487 1.036 -2.724 1.00 72.42 O ATOM 2017 CB TYR A 127 11.356 -1.506 -1.512 1.00 32.51 C ATOM 2018 CG TYR A 127 11.139 -2.733 -0.641 1.00 12.23 C ATOM 2019 CD1 TYR A 127 12.157 -3.696 -0.498 1.00 32.21 C ATOM 2020 CD2 TYR A 127 9.914 -2.903 0.036 1.00 42.14 C ATOM 2021 CE1 TYR A 127 11.956 -4.814 0.334 1.00 15.41 C ATOM 2022 CE2 TYR A 127 9.722 -4.000 0.891 1.00 14.40 C ATOM 2023 CZ TYR A 127 10.755 -4.942 1.060 1.00 71.53 C ATOM 2024 OH TYR A 127 10.600 -5.983 1.914 1.00 34.54 O ATOM 0 H TYR A 127 10.519 -0.004 0.442 1.00 23.43 H new ATOM 0 HA TYR A 127 13.140 -0.697 -0.753 1.00 20.40 H new ATOM 0 HB2 TYR A 127 10.384 -1.140 -1.842 1.00 32.51 H new ATOM 0 HB3 TYR A 127 11.903 -1.808 -2.405 1.00 32.51 H new ATOM 0 HD1 TYR A 127 13.091 -3.577 -1.026 1.00 32.21 H new ATOM 0 HD2 TYR A 127 9.119 -2.185 -0.104 1.00 42.14 H new ATOM 0 HE1 TYR A 127 12.721 -5.572 0.416 1.00 15.41 H new ATOM 0 HE2 TYR A 127 8.786 -4.121 1.417 1.00 14.40 H new ATOM 0 HH TYR A 127 11.293 -5.945 2.606 1.00 34.54 H new ATOM 2034 N GLY A 128 12.854 1.944 -1.177 1.00 11.42 N ATOM 2035 CA GLY A 128 13.080 3.211 -1.863 1.00 53.34 C ATOM 2036 C GLY A 128 14.006 3.051 -3.067 1.00 24.10 C ATOM 2037 O GLY A 128 14.153 1.946 -3.595 1.00 1.32 O ATOM 0 H GLY A 128 13.315 1.893 -0.268 1.00 11.42 H new ATOM 0 HA2 GLY A 128 12.125 3.621 -2.192 1.00 53.34 H new ATOM 0 HA3 GLY A 128 13.512 3.929 -1.166 1.00 53.34 H new ATOM 2041 N TYR A 129 14.611 4.146 -3.531 1.00 64.52 N ATOM 2042 CA TYR A 129 15.611 4.126 -4.607 1.00 31.21 C ATOM 2043 C TYR A 129 17.046 4.183 -4.056 1.00 34.24 C ATOM 2044 O TYR A 129 17.997 4.001 -4.817 1.00 32.30 O ATOM 2045 CB TYR A 129 15.358 5.290 -5.585 1.00 11.03 C ATOM 2046 CG TYR A 129 14.376 5.030 -6.723 1.00 13.04 C ATOM 2047 CD1 TYR A 129 13.242 4.209 -6.551 1.00 74.32 C ATOM 2048 CD2 TYR A 129 14.599 5.639 -7.975 1.00 64.51 C ATOM 2049 CE1 TYR A 129 12.320 4.042 -7.599 1.00 64.53 C ATOM 2050 CE2 TYR A 129 13.690 5.463 -9.034 1.00 54.41 C ATOM 2051 CZ TYR A 129 12.535 4.675 -8.844 1.00 5.02 C ATOM 2052 OH TYR A 129 11.638 4.494 -9.852 1.00 5.13 O ATOM 0 H TYR A 129 14.421 5.081 -3.169 1.00 64.52 H new ATOM 0 HA TYR A 129 15.508 3.182 -5.141 1.00 31.21 H new ATOM 0 HB2 TYR A 129 14.995 6.143 -5.011 1.00 11.03 H new ATOM 0 HB3 TYR A 129 16.314 5.582 -6.021 1.00 11.03 H new ATOM 0 HD1 TYR A 129 13.081 3.706 -5.609 1.00 74.32 H new ATOM 0 HD2 TYR A 129 15.479 6.248 -8.123 1.00 64.51 H new ATOM 0 HE1 TYR A 129 11.444 3.428 -7.452 1.00 64.53 H new ATOM 0 HE2 TYR A 129 13.876 5.930 -9.990 1.00 54.41 H new ATOM 0 HH TYR A 129 11.928 4.996 -10.642 1.00 5.13 H new ATOM 2062 N ASP A 130 17.234 4.409 -2.751 1.00 63.13 N ATOM 2063 CA ASP A 130 18.527 4.808 -2.180 1.00 3.04 C ATOM 2064 C ASP A 130 19.406 3.605 -1.818 1.00 2.44 C ATOM 2065 O ASP A 130 20.601 3.728 -1.542 1.00 44.03 O ATOM 2066 CB ASP A 130 18.293 5.663 -0.929 1.00 12.43 C ATOM 2067 CG ASP A 130 19.572 6.348 -0.432 1.00 74.32 C ATOM 2068 OD1 ASP A 130 20.503 6.590 -1.240 1.00 11.33 O ATOM 2069 OD2 ASP A 130 19.637 6.699 0.766 1.00 64.34 O ATOM 0 H ASP A 130 16.491 4.320 -2.058 1.00 63.13 H new ATOM 0 HA ASP A 130 19.055 5.381 -2.942 1.00 3.04 H new ATOM 0 HB2 ASP A 130 17.541 6.421 -1.148 1.00 12.43 H new ATOM 0 HB3 ASP A 130 17.890 5.035 -0.135 1.00 12.43 H new ATOM 2074 N LEU A 131 18.811 2.418 -1.834 1.00 50.01 N ATOM 2075 CA LEU A 131 19.467 1.154 -1.558 1.00 63.55 C ATOM 2076 C LEU A 131 20.054 0.609 -2.874 1.00 30.52 C ATOM 2077 O LEU A 131 19.520 0.900 -3.956 1.00 25.12 O ATOM 2078 CB LEU A 131 18.407 0.221 -0.944 1.00 64.43 C ATOM 2079 CG LEU A 131 18.444 0.206 0.600 1.00 21.31 C ATOM 2080 CD1 LEU A 131 17.027 0.261 1.177 1.00 43.24 C ATOM 2081 CD2 LEU A 131 19.147 -1.046 1.138 1.00 52.15 C ATOM 0 H LEU A 131 17.820 2.310 -2.048 1.00 50.01 H new ATOM 0 HA LEU A 131 20.294 1.250 -0.855 1.00 63.55 H new ATOM 0 HB2 LEU A 131 17.417 0.535 -1.276 1.00 64.43 H new ATOM 0 HB3 LEU A 131 18.562 -0.792 -1.316 1.00 64.43 H new ATOM 0 HG LEU A 131 19.005 1.087 0.911 1.00 21.31 H new ATOM 0 HD11 LEU A 131 17.077 0.249 2.266 1.00 43.24 H new ATOM 0 HD12 LEU A 131 16.535 1.175 0.846 1.00 43.24 H new ATOM 0 HD13 LEU A 131 16.459 -0.603 0.831 1.00 43.24 H new ATOM 0 HD21 LEU A 131 19.153 -1.020 2.228 1.00 52.15 H new ATOM 0 HD22 LEU A 131 18.616 -1.935 0.799 1.00 52.15 H new ATOM 0 HD23 LEU A 131 20.173 -1.074 0.770 1.00 52.15 H new ATOM 2093 N PRO A 132 21.141 -0.173 -2.829 1.00 11.00 N ATOM 2094 CA PRO A 132 21.734 -0.770 -4.014 1.00 13.10 C ATOM 2095 C PRO A 132 20.998 -2.035 -4.452 1.00 55.33 C ATOM 2096 O PRO A 132 20.109 -2.548 -3.764 1.00 1.32 O ATOM 2097 CB PRO A 132 23.173 -1.093 -3.603 1.00 23.42 C ATOM 2098 CG PRO A 132 23.046 -1.413 -2.117 1.00 64.41 C ATOM 2099 CD PRO A 132 21.962 -0.443 -1.663 1.00 72.33 C ATOM 0 HA PRO A 132 21.680 -0.096 -4.869 1.00 13.10 H new ATOM 0 HB2 PRO A 132 23.572 -1.938 -4.164 1.00 23.42 H new ATOM 0 HB3 PRO A 132 23.841 -0.250 -3.778 1.00 23.42 H new ATOM 0 HG2 PRO A 132 22.759 -2.451 -1.948 1.00 64.41 H new ATOM 0 HG3 PRO A 132 23.984 -1.252 -1.585 1.00 64.41 H new ATOM 0 HD2 PRO A 132 21.366 -0.875 -0.859 1.00 72.33 H new ATOM 0 HD3 PRO A 132 22.401 0.476 -1.275 1.00 72.33 H new ATOM 2107 N ILE A 133 21.394 -2.557 -5.614 1.00 51.05 N ATOM 2108 CA ILE A 133 20.705 -3.667 -6.252 1.00 34.12 C ATOM 2109 C ILE A 133 20.811 -4.985 -5.466 1.00 41.11 C ATOM 2110 O ILE A 133 19.922 -5.835 -5.590 1.00 61.14 O ATOM 2111 CB ILE A 133 21.111 -3.741 -7.738 1.00 43.11 C ATOM 2112 CG1 ILE A 133 20.139 -4.626 -8.536 1.00 60.25 C ATOM 2113 CG2 ILE A 133 22.572 -4.155 -7.957 1.00 0.33 C ATOM 2114 CD1 ILE A 133 19.988 -4.163 -9.990 1.00 34.54 C ATOM 0 H ILE A 133 22.203 -2.218 -6.135 1.00 51.05 H new ATOM 0 HA ILE A 133 19.632 -3.479 -6.234 1.00 34.12 H new ATOM 0 HB ILE A 133 21.038 -2.724 -8.123 1.00 43.11 H new ATOM 0 HG12 ILE A 133 20.494 -5.657 -8.520 1.00 60.25 H new ATOM 0 HG13 ILE A 133 19.163 -4.618 -8.051 1.00 60.25 H new ATOM 0 HG21 ILE A 133 22.785 -4.186 -9.025 1.00 0.33 H new ATOM 0 HG22 ILE A 133 23.231 -3.432 -7.476 1.00 0.33 H new ATOM 0 HG23 ILE A 133 22.739 -5.142 -7.525 1.00 0.33 H new ATOM 0 HD11 ILE A 133 19.292 -4.820 -10.511 1.00 34.54 H new ATOM 0 HD12 ILE A 133 19.607 -3.142 -10.009 1.00 34.54 H new ATOM 0 HD13 ILE A 133 20.958 -4.197 -10.485 1.00 34.54 H new ATOM 2126 N GLY A 134 21.842 -5.163 -4.633 1.00 51.21 N ATOM 2127 CA GLY A 134 22.030 -6.375 -3.849 1.00 15.14 C ATOM 2128 C GLY A 134 21.146 -6.395 -2.604 1.00 51.13 C ATOM 2129 O GLY A 134 20.423 -7.374 -2.381 1.00 23.12 O ATOM 0 H GLY A 134 22.570 -4.463 -4.487 1.00 51.21 H new ATOM 0 HA2 GLY A 134 21.806 -7.245 -4.467 1.00 15.14 H new ATOM 0 HA3 GLY A 134 23.076 -6.456 -3.552 1.00 15.14 H new ATOM 2133 N GLU A 135 21.176 -5.321 -1.810 1.00 43.41 N ATOM 2134 CA GLU A 135 20.647 -5.286 -0.443 1.00 71.21 C ATOM 2135 C GLU A 135 19.141 -5.500 -0.331 1.00 60.11 C ATOM 2136 O GLU A 135 18.650 -5.763 0.765 1.00 23.44 O ATOM 2137 CB GLU A 135 21.055 -3.986 0.266 1.00 62.23 C ATOM 2138 CG GLU A 135 22.514 -4.024 0.729 1.00 54.24 C ATOM 2139 CD GLU A 135 22.782 -5.240 1.616 1.00 74.24 C ATOM 2140 OE1 GLU A 135 22.304 -5.290 2.778 1.00 35.32 O ATOM 2141 OE2 GLU A 135 23.373 -6.218 1.106 1.00 42.15 O ATOM 0 H GLU A 135 21.578 -4.431 -2.106 1.00 43.41 H new ATOM 0 HA GLU A 135 21.100 -6.143 0.056 1.00 71.21 H new ATOM 0 HB2 GLU A 135 20.910 -3.143 -0.409 1.00 62.23 H new ATOM 0 HB3 GLU A 135 20.405 -3.821 1.125 1.00 62.23 H new ATOM 0 HG2 GLU A 135 23.173 -4.052 -0.139 1.00 54.24 H new ATOM 0 HG3 GLU A 135 22.748 -3.112 1.278 1.00 54.24 H new ATOM 2148 N LEU A 136 18.425 -5.530 -1.456 1.00 1.11 N ATOM 2149 CA LEU A 136 17.009 -5.867 -1.552 1.00 44.23 C ATOM 2150 C LEU A 136 16.683 -7.098 -0.695 1.00 61.12 C ATOM 2151 O LEU A 136 15.690 -7.120 0.023 1.00 53.31 O ATOM 2152 CB LEU A 136 16.695 -6.154 -3.032 1.00 54.01 C ATOM 2153 CG LEU A 136 15.252 -5.871 -3.493 1.00 23.23 C ATOM 2154 CD1 LEU A 136 14.999 -6.655 -4.788 1.00 34.52 C ATOM 2155 CD2 LEU A 136 14.156 -6.249 -2.505 1.00 0.31 C ATOM 0 H LEU A 136 18.837 -5.310 -2.363 1.00 1.11 H new ATOM 0 HA LEU A 136 16.403 -5.039 -1.184 1.00 44.23 H new ATOM 0 HB2 LEU A 136 17.373 -5.561 -3.646 1.00 54.01 H new ATOM 0 HB3 LEU A 136 16.918 -7.202 -3.232 1.00 54.01 H new ATOM 0 HG LEU A 136 15.192 -4.789 -3.612 1.00 23.23 H new ATOM 0 HD11 LEU A 136 13.982 -6.469 -5.133 1.00 34.52 H new ATOM 0 HD12 LEU A 136 15.706 -6.333 -5.552 1.00 34.52 H new ATOM 0 HD13 LEU A 136 15.129 -7.721 -4.600 1.00 34.52 H new ATOM 0 HD21 LEU A 136 13.182 -6.007 -2.931 1.00 0.31 H new ATOM 0 HD22 LEU A 136 14.206 -7.318 -2.298 1.00 0.31 H new ATOM 0 HD23 LEU A 136 14.294 -5.693 -1.578 1.00 0.31 H new ATOM 2167 N LYS A 137 17.532 -8.133 -0.739 1.00 71.10 N ATOM 2168 CA LYS A 137 17.347 -9.351 0.050 1.00 0.35 C ATOM 2169 C LYS A 137 17.232 -9.047 1.544 1.00 4.35 C ATOM 2170 O LYS A 137 16.321 -9.561 2.191 1.00 63.20 O ATOM 2171 CB LYS A 137 18.499 -10.327 -0.244 1.00 43.33 C ATOM 2172 CG LYS A 137 18.218 -11.188 -1.488 1.00 61.43 C ATOM 2173 CD LYS A 137 18.037 -12.688 -1.190 1.00 43.22 C ATOM 2174 CE LYS A 137 16.983 -12.974 -0.112 1.00 20.31 C ATOM 2175 NZ LYS A 137 16.745 -14.422 0.045 1.00 41.34 N ATOM 0 H LYS A 137 18.367 -8.146 -1.325 1.00 71.10 H new ATOM 0 HA LYS A 137 16.406 -9.818 -0.240 1.00 0.35 H new ATOM 0 HB2 LYS A 137 19.422 -9.766 -0.392 1.00 43.33 H new ATOM 0 HB3 LYS A 137 18.655 -10.975 0.618 1.00 43.33 H new ATOM 0 HG2 LYS A 137 17.319 -10.815 -1.978 1.00 61.43 H new ATOM 0 HG3 LYS A 137 19.040 -11.066 -2.194 1.00 61.43 H new ATOM 0 HD2 LYS A 137 17.754 -13.202 -2.109 1.00 43.22 H new ATOM 0 HD3 LYS A 137 18.993 -13.105 -0.873 1.00 43.22 H new ATOM 0 HE2 LYS A 137 17.311 -12.553 0.839 1.00 20.31 H new ATOM 0 HE3 LYS A 137 16.049 -12.478 -0.375 1.00 20.31 H new ATOM 0 HZ1 LYS A 137 16.027 -14.578 0.781 1.00 41.34 H new ATOM 0 HZ2 LYS A 137 16.409 -14.818 -0.856 1.00 41.34 H new ATOM 0 HZ3 LYS A 137 17.631 -14.892 0.320 1.00 41.34 H new ATOM 2189 N GLN A 138 18.110 -8.211 2.090 1.00 55.10 N ATOM 2190 CA GLN A 138 18.048 -7.806 3.489 1.00 51.12 C ATOM 2191 C GLN A 138 16.829 -6.910 3.739 1.00 4.14 C ATOM 2192 O GLN A 138 16.144 -7.089 4.742 1.00 71.43 O ATOM 2193 CB GLN A 138 19.358 -7.111 3.878 1.00 15.15 C ATOM 2194 CG GLN A 138 19.506 -6.924 5.398 1.00 2.41 C ATOM 2195 CD GLN A 138 19.621 -8.235 6.185 1.00 73.33 C ATOM 2196 OE1 GLN A 138 20.328 -9.164 5.784 1.00 21.21 O ATOM 2197 NE2 GLN A 138 18.927 -8.354 7.309 1.00 52.14 N ATOM 0 H GLN A 138 18.885 -7.795 1.574 1.00 55.10 H new ATOM 0 HA GLN A 138 17.930 -8.688 4.119 1.00 51.12 H new ATOM 0 HB2 GLN A 138 20.199 -7.696 3.505 1.00 15.15 H new ATOM 0 HB3 GLN A 138 19.406 -6.137 3.390 1.00 15.15 H new ATOM 0 HG2 GLN A 138 20.390 -6.317 5.594 1.00 2.41 H new ATOM 0 HG3 GLN A 138 18.647 -6.365 5.769 1.00 2.41 H new ATOM 0 HE21 GLN A 138 18.345 -7.582 7.633 1.00 52.14 H new ATOM 0 HE22 GLN A 138 18.975 -9.218 7.849 1.00 52.14 H new ATOM 2206 N THR A 139 16.468 -6.026 2.809 1.00 52.13 N ATOM 2207 CA THR A 139 15.247 -5.230 2.934 1.00 21.10 C ATOM 2208 C THR A 139 13.994 -6.133 2.975 1.00 12.25 C ATOM 2209 O THR A 139 12.935 -5.729 3.454 1.00 21.33 O ATOM 2210 CB THR A 139 15.172 -4.221 1.769 1.00 72.33 C ATOM 2211 OG1 THR A 139 16.449 -3.758 1.359 1.00 55.14 O ATOM 2212 CG2 THR A 139 14.334 -2.997 2.148 1.00 11.01 C ATOM 0 H THR A 139 17.004 -5.843 1.961 1.00 52.13 H new ATOM 0 HA THR A 139 15.276 -4.681 3.875 1.00 21.10 H new ATOM 0 HB THR A 139 14.709 -4.765 0.946 1.00 72.33 H new ATOM 0 HG1 THR A 139 16.345 -3.124 0.619 1.00 55.14 H new ATOM 0 HG21 THR A 139 14.300 -2.305 1.307 1.00 11.01 H new ATOM 0 HG22 THR A 139 13.321 -3.313 2.399 1.00 11.01 H new ATOM 0 HG23 THR A 139 14.783 -2.501 3.008 1.00 11.01 H new ATOM 2220 N ILE A 140 14.079 -7.372 2.482 1.00 31.45 N ATOM 2221 CA ILE A 140 13.007 -8.353 2.578 1.00 62.30 C ATOM 2222 C ILE A 140 13.111 -9.102 3.906 1.00 62.10 C ATOM 2223 O ILE A 140 12.066 -9.355 4.502 1.00 32.11 O ATOM 2224 CB ILE A 140 12.977 -9.275 1.338 1.00 20.11 C ATOM 2225 CG1 ILE A 140 12.644 -8.456 0.073 1.00 63.53 C ATOM 2226 CG2 ILE A 140 11.866 -10.319 1.500 1.00 24.14 C ATOM 2227 CD1 ILE A 140 12.750 -9.229 -1.247 1.00 44.04 C ATOM 0 H ILE A 140 14.907 -7.721 2.000 1.00 31.45 H new ATOM 0 HA ILE A 140 12.042 -7.845 2.577 1.00 62.30 H new ATOM 0 HB ILE A 140 13.954 -9.749 1.244 1.00 20.11 H new ATOM 0 HG12 ILE A 140 11.631 -8.066 0.168 1.00 63.53 H new ATOM 0 HG13 ILE A 140 13.313 -7.597 0.028 1.00 63.53 H new ATOM 0 HG21 ILE A 140 11.846 -10.968 0.625 1.00 24.14 H new ATOM 0 HG22 ILE A 140 12.056 -10.917 2.391 1.00 24.14 H new ATOM 0 HG23 ILE A 140 10.905 -9.815 1.599 1.00 24.14 H new ATOM 0 HD11 ILE A 140 12.497 -8.569 -2.077 1.00 44.04 H new ATOM 0 HD12 ILE A 140 13.769 -9.596 -1.373 1.00 44.04 H new ATOM 0 HD13 ILE A 140 12.060 -10.072 -1.231 1.00 44.04 H new ATOM 2239 N GLN A 141 14.319 -9.463 4.368 1.00 73.10 N ATOM 2240 CA GLN A 141 14.550 -10.029 5.700 1.00 52.30 C ATOM 2241 C GLN A 141 13.790 -9.199 6.717 1.00 74.51 C ATOM 2242 O GLN A 141 12.823 -9.671 7.304 1.00 21.54 O ATOM 2243 CB GLN A 141 16.048 -10.096 6.059 1.00 74.33 C ATOM 2244 CG GLN A 141 16.831 -11.145 5.269 1.00 61.22 C ATOM 2245 CD GLN A 141 16.758 -12.538 5.884 1.00 44.40 C ATOM 2246 OE1 GLN A 141 16.881 -12.730 7.086 1.00 4.01 O ATOM 2247 NE2 GLN A 141 16.532 -13.558 5.081 1.00 73.33 N ATOM 0 H GLN A 141 15.172 -9.367 3.817 1.00 73.10 H new ATOM 0 HA GLN A 141 14.188 -11.057 5.706 1.00 52.30 H new ATOM 0 HB2 GLN A 141 16.496 -9.117 5.887 1.00 74.33 H new ATOM 0 HB3 GLN A 141 16.147 -10.309 7.123 1.00 74.33 H new ATOM 0 HG2 GLN A 141 16.447 -11.184 4.250 1.00 61.22 H new ATOM 0 HG3 GLN A 141 17.875 -10.838 5.205 1.00 61.22 H new ATOM 0 HE21 GLN A 141 16.429 -13.404 4.078 1.00 73.33 H new ATOM 0 HE22 GLN A 141 16.460 -14.501 5.462 1.00 73.33 H new ATOM 2256 N ASN A 142 14.190 -7.944 6.839 1.00 71.42 N ATOM 2257 CA ASN A 142 13.809 -7.083 7.952 1.00 33.54 C ATOM 2258 C ASN A 142 12.294 -6.851 7.992 1.00 62.32 C ATOM 2259 O ASN A 142 11.699 -6.837 9.071 1.00 33.44 O ATOM 2260 CB ASN A 142 14.564 -5.754 7.837 1.00 51.23 C ATOM 2261 CG ASN A 142 16.084 -5.884 7.846 1.00 32.25 C ATOM 2262 OD1 ASN A 142 16.663 -6.884 8.267 1.00 22.44 O ATOM 2263 ND2 ASN A 142 16.765 -4.886 7.327 1.00 62.12 N ATOM 0 H ASN A 142 14.797 -7.486 6.159 1.00 71.42 H new ATOM 0 HA ASN A 142 14.078 -7.575 8.887 1.00 33.54 H new ATOM 0 HB2 ASN A 142 14.260 -5.257 6.915 1.00 51.23 H new ATOM 0 HB3 ASN A 142 14.263 -5.108 8.661 1.00 51.23 H new ATOM 0 HD21 ASN A 142 17.782 -4.937 7.271 1.00 62.12 H new ATOM 0 HD22 ASN A 142 16.276 -4.061 6.980 1.00 62.12 H new ATOM 2270 N VAL A 143 11.656 -6.728 6.821 1.00 2.43 N ATOM 2271 CA VAL A 143 10.208 -6.538 6.717 1.00 43.24 C ATOM 2272 C VAL A 143 9.447 -7.753 7.260 1.00 3.01 C ATOM 2273 O VAL A 143 8.381 -7.585 7.855 1.00 34.12 O ATOM 2274 CB VAL A 143 9.845 -6.193 5.255 1.00 74.51 C ATOM 2275 CG1 VAL A 143 8.350 -6.310 4.931 1.00 75.10 C ATOM 2276 CG2 VAL A 143 10.280 -4.750 4.971 1.00 62.30 C ATOM 0 H VAL A 143 12.132 -6.758 5.919 1.00 2.43 H new ATOM 0 HA VAL A 143 9.899 -5.700 7.341 1.00 43.24 H new ATOM 0 HB VAL A 143 10.363 -6.921 4.631 1.00 74.51 H new ATOM 0 HG11 VAL A 143 8.183 -6.051 3.886 1.00 75.10 H new ATOM 0 HG12 VAL A 143 8.018 -7.333 5.109 1.00 75.10 H new ATOM 0 HG13 VAL A 143 7.785 -5.630 5.568 1.00 75.10 H new ATOM 0 HG21 VAL A 143 10.031 -4.491 3.942 1.00 62.30 H new ATOM 0 HG22 VAL A 143 9.763 -4.073 5.651 1.00 62.30 H new ATOM 0 HG23 VAL A 143 11.356 -4.659 5.117 1.00 62.30 H new ATOM 2286 N LYS A 144 9.952 -8.979 7.072 1.00 35.33 N ATOM 2287 CA LYS A 144 9.278 -10.154 7.616 1.00 35.51 C ATOM 2288 C LYS A 144 9.198 -10.094 9.132 1.00 2.14 C ATOM 2289 O LYS A 144 8.289 -10.725 9.677 1.00 4.22 O ATOM 2290 CB LYS A 144 10.007 -11.434 7.210 1.00 22.23 C ATOM 2291 CG LYS A 144 9.688 -11.811 5.766 1.00 24.34 C ATOM 2292 CD LYS A 144 10.621 -12.913 5.276 1.00 22.13 C ATOM 2293 CE LYS A 144 12.019 -12.334 5.063 1.00 14.44 C ATOM 2294 NZ LYS A 144 12.965 -13.358 4.601 1.00 3.13 N ATOM 0 H LYS A 144 10.810 -9.177 6.556 1.00 35.33 H new ATOM 0 HA LYS A 144 8.268 -10.162 7.206 1.00 35.51 H new ATOM 0 HB2 LYS A 144 11.082 -11.296 7.325 1.00 22.23 H new ATOM 0 HB3 LYS A 144 9.717 -12.248 7.875 1.00 22.23 H new ATOM 0 HG2 LYS A 144 8.653 -12.145 5.693 1.00 24.34 H new ATOM 0 HG3 LYS A 144 9.786 -10.934 5.126 1.00 24.34 H new ATOM 0 HD2 LYS A 144 10.658 -13.724 6.003 1.00 22.13 H new ATOM 0 HD3 LYS A 144 10.245 -13.337 4.345 1.00 22.13 H new ATOM 0 HE2 LYS A 144 11.971 -11.526 4.333 1.00 14.44 H new ATOM 0 HE3 LYS A 144 12.379 -11.900 5.996 1.00 14.44 H new ATOM 0 HZ1 LYS A 144 13.903 -12.929 4.467 1.00 3.13 H new ATOM 0 HZ2 LYS A 144 13.029 -14.116 5.310 1.00 3.13 H new ATOM 0 HZ3 LYS A 144 12.634 -13.755 3.698 1.00 3.13 H new ATOM 2308 N GLU A 145 10.130 -9.397 9.773 1.00 11.25 N ATOM 2309 CA GLU A 145 10.308 -9.424 11.209 1.00 74.03 C ATOM 2310 C GLU A 145 9.290 -8.457 11.824 1.00 22.21 C ATOM 2311 O GLU A 145 8.523 -8.890 12.683 1.00 55.22 O ATOM 2312 CB GLU A 145 11.798 -9.206 11.574 1.00 74.30 C ATOM 2313 CG GLU A 145 12.682 -10.084 10.657 1.00 1.32 C ATOM 2314 CD GLU A 145 14.066 -10.484 11.169 1.00 61.41 C ATOM 2315 OE1 GLU A 145 14.127 -11.270 12.145 1.00 73.10 O ATOM 2316 OE2 GLU A 145 15.086 -10.263 10.470 1.00 31.54 O ATOM 0 H GLU A 145 10.793 -8.787 9.294 1.00 11.25 H new ATOM 0 HA GLU A 145 10.093 -10.398 11.647 1.00 74.03 H new ATOM 0 HB2 GLU A 145 12.063 -8.155 11.457 1.00 74.30 H new ATOM 0 HB3 GLU A 145 11.970 -9.463 12.619 1.00 74.30 H new ATOM 0 HG2 GLU A 145 12.130 -10.998 10.435 1.00 1.32 H new ATOM 0 HG3 GLU A 145 12.814 -9.555 9.713 1.00 1.32 H new ATOM 2323 N GLU A 146 9.156 -7.229 11.297 1.00 12.51 N ATOM 2324 CA GLU A 146 8.078 -6.300 11.674 1.00 54.30 C ATOM 2325 C GLU A 146 6.700 -6.935 11.434 1.00 63.14 C ATOM 2326 O GLU A 146 5.792 -6.816 12.260 1.00 23.12 O ATOM 2327 CB GLU A 146 8.137 -5.012 10.836 1.00 53.54 C ATOM 2328 CG GLU A 146 9.494 -4.335 10.663 1.00 32.41 C ATOM 2329 CD GLU A 146 10.051 -3.644 11.909 1.00 13.30 C ATOM 2330 OE1 GLU A 146 9.402 -2.729 12.451 1.00 31.41 O ATOM 2331 OE2 GLU A 146 11.220 -3.933 12.268 1.00 75.25 O ATOM 0 H GLU A 146 9.794 -6.852 10.596 1.00 12.51 H new ATOM 0 HA GLU A 146 8.218 -6.072 12.731 1.00 54.30 H new ATOM 0 HB2 GLU A 146 7.748 -5.240 9.844 1.00 53.54 H new ATOM 0 HB3 GLU A 146 7.457 -4.289 11.286 1.00 53.54 H new ATOM 0 HG2 GLU A 146 10.214 -5.084 10.332 1.00 32.41 H new ATOM 0 HG3 GLU A 146 9.413 -3.596 9.866 1.00 32.41 H new ATOM 2338 N ASN A 147 6.553 -7.624 10.292 1.00 63.00 N ATOM 2339 CA ASN A 147 5.319 -8.291 9.887 1.00 43.20 C ATOM 2340 C ASN A 147 4.891 -9.323 10.920 1.00 42.13 C ATOM 2341 O ASN A 147 3.701 -9.591 11.062 1.00 20.22 O ATOM 2342 CB ASN A 147 5.516 -9.042 8.554 1.00 75.22 C ATOM 2343 CG ASN A 147 5.304 -8.210 7.306 1.00 22.35 C ATOM 2344 OD1 ASN A 147 5.129 -7.005 7.362 1.00 20.41 O ATOM 2345 ND2 ASN A 147 5.275 -8.856 6.152 1.00 64.33 N ATOM 0 H ASN A 147 7.308 -7.732 9.614 1.00 63.00 H new ATOM 0 HA ASN A 147 4.561 -7.515 9.786 1.00 43.20 H new ATOM 0 HB2 ASN A 147 6.526 -9.450 8.532 1.00 75.22 H new ATOM 0 HB3 ASN A 147 4.830 -9.888 8.528 1.00 75.22 H new ATOM 0 HD21 ASN A 147 5.104 -8.345 5.286 1.00 64.33 H new ATOM 0 HD22 ASN A 147 5.424 -9.865 6.128 1.00 64.33 H new ATOM 2352 N ALA A 148 5.847 -10.015 11.540 1.00 40.14 N ATOM 2353 CA ALA A 148 5.555 -11.163 12.377 1.00 15.45 C ATOM 2354 C ALA A 148 4.818 -10.767 13.652 1.00 71.03 C ATOM 2355 O ALA A 148 3.954 -11.524 14.096 1.00 74.23 O ATOM 2356 CB ALA A 148 6.859 -11.888 12.691 1.00 14.33 C ATOM 0 H ALA A 148 6.840 -9.791 11.472 1.00 40.14 H new ATOM 0 HA ALA A 148 4.887 -11.833 11.836 1.00 15.45 H new ATOM 0 HB1 ALA A 148 6.652 -12.754 13.320 1.00 14.33 H new ATOM 0 HB2 ALA A 148 7.325 -12.218 11.762 1.00 14.33 H new ATOM 0 HB3 ALA A 148 7.534 -11.212 13.215 1.00 14.33 H new ATOM 2362 N ALA A 149 5.123 -9.586 14.193 1.00 41.12 N ATOM 2363 CA ALA A 149 4.394 -9.020 15.312 1.00 53.54 C ATOM 2364 C ALA A 149 2.931 -8.812 14.919 1.00 63.41 C ATOM 2365 O ALA A 149 2.043 -9.267 15.632 1.00 4.44 O ATOM 2366 CB ALA A 149 5.062 -7.705 15.722 1.00 61.43 C ATOM 0 H ALA A 149 5.887 -8.998 13.860 1.00 41.12 H new ATOM 0 HA ALA A 149 4.414 -9.698 16.165 1.00 53.54 H new ATOM 0 HB1 ALA A 149 4.522 -7.270 16.563 1.00 61.43 H new ATOM 0 HB2 ALA A 149 6.095 -7.897 16.013 1.00 61.43 H new ATOM 0 HB3 ALA A 149 5.045 -7.011 14.882 1.00 61.43 H new ATOM 2372 N PHE A 150 2.668 -8.204 13.757 1.00 24.13 N ATOM 2373 CA PHE A 150 1.300 -7.998 13.293 1.00 32.44 C ATOM 2374 C PHE A 150 0.556 -9.339 13.184 1.00 71.30 C ATOM 2375 O PHE A 150 -0.572 -9.473 13.656 1.00 32.21 O ATOM 2376 CB PHE A 150 1.281 -7.228 11.964 1.00 21.22 C ATOM 2377 CG PHE A 150 -0.135 -7.000 11.488 1.00 34.05 C ATOM 2378 CD1 PHE A 150 -0.894 -5.939 12.015 1.00 41.33 C ATOM 2379 CD2 PHE A 150 -0.745 -7.949 10.650 1.00 62.43 C ATOM 2380 CE1 PHE A 150 -2.265 -5.851 11.722 1.00 23.24 C ATOM 2381 CE2 PHE A 150 -2.113 -7.856 10.358 1.00 60.11 C ATOM 2382 CZ PHE A 150 -2.871 -6.810 10.902 1.00 63.44 C ATOM 0 H PHE A 150 3.385 -7.848 13.125 1.00 24.13 H new ATOM 0 HA PHE A 150 0.775 -7.389 14.029 1.00 32.44 H new ATOM 0 HB2 PHE A 150 1.785 -6.270 12.088 1.00 21.22 H new ATOM 0 HB3 PHE A 150 1.836 -7.785 11.209 1.00 21.22 H new ATOM 0 HD1 PHE A 150 -0.425 -5.195 12.642 1.00 41.33 H new ATOM 0 HD2 PHE A 150 -0.158 -8.752 10.230 1.00 62.43 H new ATOM 0 HE1 PHE A 150 -2.853 -5.042 12.130 1.00 23.24 H new ATOM 0 HE2 PHE A 150 -2.581 -8.588 9.716 1.00 60.11 H new ATOM 0 HZ PHE A 150 -3.927 -6.744 10.688 1.00 63.44 H new ATOM 2392 N LYS A 151 1.182 -10.358 12.580 1.00 11.53 N ATOM 2393 CA LYS A 151 0.588 -11.694 12.427 1.00 43.23 C ATOM 2394 C LYS A 151 0.364 -12.415 13.753 1.00 42.20 C ATOM 2395 O LYS A 151 -0.345 -13.425 13.784 1.00 23.05 O ATOM 2396 CB LYS A 151 1.495 -12.580 11.574 1.00 40.24 C ATOM 2397 CG LYS A 151 1.608 -12.077 10.143 1.00 35.33 C ATOM 2398 CD LYS A 151 2.496 -12.985 9.291 1.00 75.01 C ATOM 2399 CE LYS A 151 3.880 -12.372 9.199 1.00 4.14 C ATOM 2400 NZ LYS A 151 4.917 -13.248 9.786 1.00 42.52 N ATOM 0 H LYS A 151 2.118 -10.279 12.182 1.00 11.53 H new ATOM 0 HA LYS A 151 -0.381 -11.531 11.955 1.00 43.23 H new ATOM 0 HB2 LYS A 151 2.488 -12.620 12.023 1.00 40.24 H new ATOM 0 HB3 LYS A 151 1.106 -13.598 11.570 1.00 40.24 H new ATOM 0 HG2 LYS A 151 0.614 -12.019 9.698 1.00 35.33 H new ATOM 0 HG3 LYS A 151 2.016 -11.066 10.144 1.00 35.33 H new ATOM 0 HD2 LYS A 151 2.553 -13.980 9.733 1.00 75.01 H new ATOM 0 HD3 LYS A 151 2.069 -13.103 8.295 1.00 75.01 H new ATOM 0 HE2 LYS A 151 4.121 -12.176 8.154 1.00 4.14 H new ATOM 0 HE3 LYS A 151 3.885 -11.411 9.713 1.00 4.14 H new ATOM 0 HZ1 LYS A 151 5.741 -12.675 10.060 1.00 42.52 H new ATOM 0 HZ2 LYS A 151 4.533 -13.726 10.626 1.00 42.52 H new ATOM 0 HZ3 LYS A 151 5.208 -13.960 9.085 1.00 42.52 H new ATOM 2414 N GLU A 152 0.983 -11.963 14.840 1.00 51.11 N ATOM 2415 CA GLU A 152 0.627 -12.450 16.166 1.00 4.31 C ATOM 2416 C GLU A 152 -0.839 -12.110 16.434 1.00 2.11 C ATOM 2417 O GLU A 152 -1.603 -12.962 16.885 1.00 52.11 O ATOM 2418 CB GLU A 152 1.533 -11.832 17.243 1.00 40.51 C ATOM 2419 CG GLU A 152 1.364 -12.569 18.573 1.00 21.02 C ATOM 2420 CD GLU A 152 2.159 -11.922 19.705 1.00 34.22 C ATOM 2421 OE1 GLU A 152 1.649 -10.984 20.348 1.00 44.40 O ATOM 2422 OE2 GLU A 152 3.310 -12.363 19.960 1.00 41.43 O ATOM 0 H GLU A 152 1.727 -11.266 14.828 1.00 51.11 H new ATOM 0 HA GLU A 152 0.768 -13.530 16.205 1.00 4.31 H new ATOM 0 HB2 GLU A 152 2.574 -11.881 16.923 1.00 40.51 H new ATOM 0 HB3 GLU A 152 1.288 -10.778 17.371 1.00 40.51 H new ATOM 0 HG2 GLU A 152 0.308 -12.590 18.841 1.00 21.02 H new ATOM 0 HG3 GLU A 152 1.684 -13.604 18.454 1.00 21.02 H new ATOM 2429 N ILE A 153 -1.213 -10.868 16.133 1.00 60.42 N ATOM 2430 CA ILE A 153 -2.441 -10.219 16.554 1.00 72.40 C ATOM 2431 C ILE A 153 -3.554 -10.507 15.541 1.00 11.14 C ATOM 2432 O ILE A 153 -4.628 -10.954 15.941 1.00 73.34 O ATOM 2433 CB ILE A 153 -2.177 -8.709 16.747 1.00 71.12 C ATOM 2434 CG1 ILE A 153 -0.936 -8.464 17.645 1.00 15.24 C ATOM 2435 CG2 ILE A 153 -3.417 -8.025 17.345 1.00 4.21 C ATOM 2436 CD1 ILE A 153 -0.637 -7.002 17.984 1.00 24.15 C ATOM 0 H ILE A 153 -0.632 -10.259 15.557 1.00 60.42 H new ATOM 0 HA ILE A 153 -2.778 -10.616 17.512 1.00 72.40 H new ATOM 0 HB ILE A 153 -1.971 -8.274 15.769 1.00 71.12 H new ATOM 0 HG12 ILE A 153 -1.071 -9.013 18.577 1.00 15.24 H new ATOM 0 HG13 ILE A 153 -0.063 -8.888 17.149 1.00 15.24 H new ATOM 0 HG21 ILE A 153 -3.218 -6.961 17.476 1.00 4.21 H new ATOM 0 HG22 ILE A 153 -4.265 -8.155 16.672 1.00 4.21 H new ATOM 0 HG23 ILE A 153 -3.649 -8.473 18.311 1.00 4.21 H new ATOM 0 HD11 ILE A 153 0.250 -6.949 18.615 1.00 24.15 H new ATOM 0 HD12 ILE A 153 -0.462 -6.444 17.064 1.00 24.15 H new ATOM 0 HD13 ILE A 153 -1.486 -6.570 18.514 1.00 24.15 H new ATOM 2448 N HIS A 154 -3.308 -10.293 14.246 1.00 60.24 N ATOM 2449 CA HIS A 154 -4.318 -10.445 13.201 1.00 71.20 C ATOM 2450 C HIS A 154 -3.812 -11.358 12.077 1.00 72.42 C ATOM 2451 O HIS A 154 -3.526 -10.887 10.977 1.00 54.22 O ATOM 2452 CB HIS A 154 -4.778 -9.057 12.736 1.00 64.33 C ATOM 2453 CG HIS A 154 -5.733 -8.421 13.711 1.00 73.04 C ATOM 2454 ND1 HIS A 154 -6.919 -8.980 14.125 1.00 4.44 N ATOM 2455 CD2 HIS A 154 -5.573 -7.237 14.378 1.00 74.23 C ATOM 2456 CE1 HIS A 154 -7.461 -8.162 15.040 1.00 34.23 C ATOM 2457 NE2 HIS A 154 -6.680 -7.085 15.225 1.00 64.10 N ATOM 0 H HIS A 154 -2.395 -10.007 13.893 1.00 60.24 H new ATOM 0 HA HIS A 154 -5.200 -10.951 13.593 1.00 71.20 H new ATOM 0 HB2 HIS A 154 -3.909 -8.412 12.607 1.00 64.33 H new ATOM 0 HB3 HIS A 154 -5.259 -9.142 11.762 1.00 64.33 H new ATOM 0 HD2 HIS A 154 -4.748 -6.548 14.272 1.00 74.23 H new ATOM 0 HE1 HIS A 154 -8.393 -8.344 15.555 1.00 34.23 H new ATOM 0 HE2 HIS A 154 -6.858 -6.306 15.859 1.00 64.10 H new ATOM 2465 N PRO A 155 -3.685 -12.672 12.332 1.00 72.02 N ATOM 2466 CA PRO A 155 -3.220 -13.658 11.361 1.00 63.40 C ATOM 2467 C PRO A 155 -4.210 -13.897 10.217 1.00 43.43 C ATOM 2468 O PRO A 155 -5.354 -14.347 10.470 1.00 63.10 O ATOM 2469 CB PRO A 155 -2.959 -14.937 12.164 1.00 54.43 C ATOM 2470 CG PRO A 155 -3.832 -14.785 13.409 1.00 72.00 C ATOM 2471 CD PRO A 155 -3.869 -13.285 13.640 1.00 41.33 C ATOM 0 HA PRO A 155 -2.320 -13.301 10.860 1.00 63.40 H new ATOM 0 HB2 PRO A 155 -3.229 -15.826 11.595 1.00 54.43 H new ATOM 0 HB3 PRO A 155 -1.905 -15.034 12.426 1.00 54.43 H new ATOM 0 HG2 PRO A 155 -4.831 -15.191 13.250 1.00 72.00 H new ATOM 0 HG3 PRO A 155 -3.407 -15.312 14.263 1.00 72.00 H new ATOM 0 HD2 PRO A 155 -4.818 -12.982 14.083 1.00 41.33 H new ATOM 0 HD3 PRO A 155 -3.083 -12.977 14.329 1.00 41.33 H new TER 2479 PRO A 155