USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1277 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 101 TYR OH : rot -130:sc= 1.08 USER MOD Set 1.2: A 132 SER OG : rot 131:sc= 1.22 USER MOD Set 2.1: A 88 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Set 2.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 71 CYS SG : rot -43:sc= 1.06 USER MOD Set 3.3: A 72 GLN :FLIP amide:sc= 0.0588 F(o=0.58,f=1.1) USER MOD Set 4.1: A 58 ASN : amide:sc= -0.42 K(o=0.11,f=-0.68) USER MOD Set 4.2: A 61 SER OG : rot -63:sc= 0.533 USER MOD Set 5.1: A 38 THR OG1 : rot 150:sc= 0.313 USER MOD Set 5.2: A 83 LYS NZ :NH3+ 137:sc= 0.428 (180deg=-0.421) USER MOD Set 5.3: A 120 GLN : amide:sc= 1 K(o=1.7,f=-1.9) USER MOD Set 6.1: A 16 ASN : amide:sc= 0.776 K(o=1.6,f=-3.8!) USER MOD Set 6.2: A 60 GLN : amide:sc= 0.791 K(o=1.6,f=-4.9) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.0599 (180deg=-0.368) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.5) USER MOD Single : A 15 SER OG : rot -37:sc= 0.942 USER MOD Single : A 18 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= 0.311 (180deg=-1.73) USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= 1.2 (180deg=0.714) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.279 F(o=-1.4,f=-0.28) USER MOD Single : A 33 MET CE :methyl 175:sc= -6.36! (180deg=-6.46!) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 0.856 (180deg=0.759) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -0.0047 (180deg=-0.145) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00548 X(o=-0.0055,f=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.221 F(o=-1.4,f=-0.22) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= -0.12 (180deg=-0.565) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0549 (180deg=-0.268) USER MOD Single : A 67 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0235) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= -1.58 (180deg=-1.68) USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= -0.0106 (180deg=-0.126) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0071 USER MOD Single : A 89 HIS : no HD1:sc= -0.0365 X(o=-0.037,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= 0.136 (180deg=-0.683) USER MOD Single : A 104 LYS NZ :NH3+ -156:sc= -0.295 (180deg=-1.98!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 167:sc= -0.03 (180deg=-0.273) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= 1.02 K(o=1,f=-0.66) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.002 USER MOD Single : A 125 MET CE :methyl -166:sc= -7.01! (180deg=-7.67!) USER MOD Single : A 126 SER OG : rot -86:sc= 0.345 USER MOD Single : A 130 LYS NZ :NH3+ 166:sc= 1.63 (180deg=0.804!) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 134 SER OG : rot 150:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 155:sc= -4.02! (180deg=-10.3!) USER MOD Single : A 142 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.15) USER MOD Single : A 144 MET CE :methyl 172:sc= -0.0612 (180deg=-0.194) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot 178:sc= 0.137 USER MOD Single : A 157 SER OG : rot -140:sc= -3.71! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -9.623 -7.385 -12.730 1.00 1.75 N ATOM 2 CA GLU A 3 -10.561 -7.768 -11.654 1.00 1.53 C ATOM 3 C GLU A 3 -11.073 -6.533 -10.936 1.00 1.23 C ATOM 4 O GLU A 3 -10.329 -5.579 -10.705 1.00 1.66 O ATOM 5 CB GLU A 3 -9.896 -8.704 -10.640 1.00 2.07 C ATOM 6 CG GLU A 3 -9.606 -10.096 -11.174 1.00 2.60 C ATOM 7 CD GLU A 3 -8.501 -10.105 -12.202 1.00 3.08 C ATOM 8 OE1 GLU A 3 -7.339 -10.348 -11.825 1.00 3.68 O ATOM 9 OE2 GLU A 3 -8.799 -9.888 -13.392 1.00 3.25 O ATOM 0 HA GLU A 3 -11.395 -8.295 -12.118 1.00 1.53 H new ATOM 0 HB2 GLU A 3 -8.962 -8.254 -10.305 1.00 2.07 H new ATOM 0 HB3 GLU A 3 -10.540 -8.790 -9.765 1.00 2.07 H new ATOM 0 HG2 GLU A 3 -9.332 -10.749 -10.346 1.00 2.60 H new ATOM 0 HG3 GLU A 3 -10.513 -10.507 -11.617 1.00 2.60 H new ATOM 18 N GLU A 4 -12.349 -6.555 -10.599 1.00 0.80 N ATOM 19 CA GLU A 4 -12.967 -5.470 -9.862 1.00 0.70 C ATOM 20 C GLU A 4 -12.909 -5.753 -8.369 1.00 0.61 C ATOM 21 O GLU A 4 -12.814 -4.839 -7.549 1.00 0.76 O ATOM 22 CB GLU A 4 -14.418 -5.302 -10.297 1.00 0.85 C ATOM 23 CG GLU A 4 -14.583 -5.026 -11.779 1.00 0.98 C ATOM 24 CD GLU A 4 -16.031 -5.036 -12.205 1.00 1.55 C ATOM 25 OE1 GLU A 4 -16.543 -6.120 -12.550 1.00 1.65 O ATOM 26 OE2 GLU A 4 -16.670 -3.966 -12.186 1.00 2.38 O ATOM 0 H GLU A 4 -12.983 -7.321 -10.827 1.00 0.80 H new ATOM 0 HA GLU A 4 -12.422 -4.550 -10.072 1.00 0.70 H new ATOM 0 HB2 GLU A 4 -14.972 -6.205 -10.041 1.00 0.85 H new ATOM 0 HB3 GLU A 4 -14.865 -4.484 -9.732 1.00 0.85 H new ATOM 0 HG2 GLU A 4 -14.143 -4.058 -12.017 1.00 0.98 H new ATOM 0 HG3 GLU A 4 -14.033 -5.775 -12.349 1.00 0.98 H new ATOM 33 N LYS A 5 -12.955 -7.029 -8.017 1.00 0.53 N ATOM 34 CA LYS A 5 -12.979 -7.428 -6.622 1.00 0.46 C ATOM 35 C LYS A 5 -11.579 -7.359 -6.026 1.00 0.34 C ATOM 36 O LYS A 5 -10.633 -7.948 -6.549 1.00 0.39 O ATOM 37 CB LYS A 5 -13.580 -8.830 -6.476 1.00 0.54 C ATOM 38 CG LYS A 5 -14.002 -9.176 -5.052 1.00 0.60 C ATOM 39 CD LYS A 5 -12.861 -9.751 -4.224 1.00 0.89 C ATOM 40 CE LYS A 5 -12.439 -11.127 -4.718 1.00 1.36 C ATOM 41 NZ LYS A 5 -13.557 -12.108 -4.676 1.00 1.61 N ATOM 0 H LYS A 5 -12.976 -7.804 -8.680 1.00 0.53 H new ATOM 0 HA LYS A 5 -13.613 -6.735 -6.069 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -14.447 -8.913 -7.132 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.851 -9.565 -6.817 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -14.385 -8.280 -4.563 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -14.820 -9.895 -5.085 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -12.008 -9.074 -4.262 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -13.168 -9.818 -3.180 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -12.068 -11.046 -5.740 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -11.614 -11.493 -4.107 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -13.179 -13.070 -4.790 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -14.049 -12.035 -3.763 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -14.226 -11.905 -5.446 1.00 1.61 H new ATOM 55 N GLY A 6 -11.469 -6.632 -4.929 1.00 0.26 N ATOM 56 CA GLY A 6 -10.188 -6.403 -4.287 1.00 0.20 C ATOM 57 C GLY A 6 -10.277 -5.180 -3.396 1.00 0.17 C ATOM 58 O GLY A 6 -11.369 -4.843 -2.941 1.00 0.24 O ATOM 0 H GLY A 6 -12.259 -6.187 -4.461 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.904 -7.275 -3.698 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.413 -6.261 -5.040 1.00 0.20 H new ATOM 62 N ALA A 7 -9.166 -4.502 -3.152 1.00 0.15 N ATOM 63 CA ALA A 7 -9.191 -3.287 -2.335 1.00 0.14 C ATOM 64 C ALA A 7 -8.604 -2.104 -3.094 1.00 0.14 C ATOM 65 O ALA A 7 -7.663 -2.267 -3.856 1.00 0.18 O ATOM 66 CB ALA A 7 -8.442 -3.501 -1.030 1.00 0.16 C ATOM 0 H ALA A 7 -8.244 -4.764 -3.501 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.232 -3.061 -2.105 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.473 -2.586 -0.438 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.910 -4.311 -0.470 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.405 -3.760 -1.244 1.00 0.16 H new ATOM 72 N TYR A 8 -9.166 -0.921 -2.893 1.00 0.12 N ATOM 73 CA TYR A 8 -8.678 0.284 -3.563 1.00 0.13 C ATOM 74 C TYR A 8 -8.205 1.323 -2.550 1.00 0.12 C ATOM 75 O TYR A 8 -8.893 1.596 -1.567 1.00 0.13 O ATOM 76 CB TYR A 8 -9.768 0.894 -4.457 1.00 0.16 C ATOM 77 CG TYR A 8 -9.867 0.275 -5.839 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.919 0.556 -6.814 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.915 -0.569 -6.176 1.00 0.39 C ATOM 80 CE1 TYR A 8 -9.012 0.014 -8.081 1.00 0.40 C ATOM 81 CE2 TYR A 8 -11.014 -1.119 -7.439 1.00 0.48 C ATOM 82 CZ TYR A 8 -10.060 -0.823 -8.388 1.00 0.45 C ATOM 83 OH TYR A 8 -10.155 -1.368 -9.647 1.00 0.57 O ATOM 0 H TYR A 8 -9.960 -0.766 -2.272 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.832 -0.009 -4.185 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.731 0.791 -3.956 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.577 1.962 -4.564 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -8.093 1.211 -6.577 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.668 -0.800 -5.437 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -8.266 0.246 -8.827 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.835 -1.778 -7.681 1.00 0.48 H new ATOM 0 HH TYR A 8 -10.952 -1.936 -9.698 1.00 0.57 H new ATOM 93 N LEU A 9 -7.025 1.881 -2.795 1.00 0.12 N ATOM 94 CA LEU A 9 -6.499 2.981 -1.993 1.00 0.12 C ATOM 95 C LEU A 9 -7.008 4.282 -2.584 1.00 0.11 C ATOM 96 O LEU A 9 -6.772 4.566 -3.752 1.00 0.13 O ATOM 97 CB LEU A 9 -4.962 2.961 -1.996 1.00 0.12 C ATOM 98 CG LEU A 9 -4.242 3.871 -0.977 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.426 5.343 -1.289 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.703 3.572 0.435 1.00 0.12 C ATOM 0 H LEU A 9 -6.408 1.586 -3.552 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.833 2.881 -0.960 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.637 1.935 -1.821 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.623 3.237 -2.994 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.177 3.651 -1.056 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.901 5.941 -0.544 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -4.022 5.559 -2.278 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.488 5.589 -1.269 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.181 4.226 1.134 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.777 3.742 0.511 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.483 2.532 0.677 1.00 0.12 H new ATOM 112 N VAL A 10 -7.699 5.062 -1.787 1.00 0.12 N ATOM 113 CA VAL A 10 -8.296 6.292 -2.267 1.00 0.14 C ATOM 114 C VAL A 10 -7.806 7.479 -1.453 1.00 0.16 C ATOM 115 O VAL A 10 -7.482 7.341 -0.275 1.00 0.14 O ATOM 116 CB VAL A 10 -9.838 6.247 -2.193 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.443 6.833 -3.459 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.350 4.832 -1.947 1.00 0.16 C ATOM 0 H VAL A 10 -7.864 4.868 -0.799 1.00 0.12 H new ATOM 0 HA VAL A 10 -7.995 6.403 -3.309 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.151 6.854 -1.343 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.530 6.795 -3.394 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.122 7.869 -3.570 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.111 6.256 -4.322 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.439 4.842 -1.901 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -10.027 4.182 -2.760 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.951 4.459 -1.004 1.00 0.16 H new ATOM 128 N PHE A 11 -7.725 8.633 -2.097 1.00 0.23 N ATOM 129 CA PHE A 11 -7.420 9.878 -1.412 1.00 0.27 C ATOM 130 C PHE A 11 -8.699 10.668 -1.186 1.00 0.33 C ATOM 131 O PHE A 11 -9.504 10.838 -2.105 1.00 0.42 O ATOM 132 CB PHE A 11 -6.429 10.712 -2.231 1.00 0.35 C ATOM 133 CG PHE A 11 -6.199 12.107 -1.704 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.249 12.356 -0.725 1.00 0.66 C ATOM 135 CD2 PHE A 11 -6.926 13.178 -2.210 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.031 13.639 -0.261 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.712 14.461 -1.746 1.00 0.90 C ATOM 138 CZ PHE A 11 -5.763 14.692 -0.771 1.00 0.90 C ATOM 0 H PHE A 11 -7.868 8.732 -3.102 1.00 0.23 H new ATOM 0 HA PHE A 11 -6.966 9.645 -0.449 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.474 10.188 -2.265 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -6.792 10.780 -3.257 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -4.673 11.537 -0.320 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -7.668 13.005 -2.976 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.287 13.818 0.501 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -7.287 15.283 -2.146 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.593 15.695 -0.408 1.00 0.90 H new ATOM 148 N ASP A 12 -8.876 11.146 0.029 1.00 0.32 N ATOM 149 CA ASP A 12 -10.016 11.982 0.360 1.00 0.39 C ATOM 150 C ASP A 12 -9.510 13.325 0.864 1.00 0.41 C ATOM 151 O ASP A 12 -8.454 13.395 1.494 1.00 0.36 O ATOM 152 CB ASP A 12 -10.888 11.306 1.422 1.00 0.42 C ATOM 153 CG ASP A 12 -12.224 11.998 1.602 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.199 11.603 0.934 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.302 12.944 2.411 1.00 0.61 O ATOM 0 H ASP A 12 -8.242 10.970 0.808 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.628 12.132 -0.529 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.056 10.266 1.142 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.356 11.298 2.373 1.00 0.42 H new ATOM 160 N ASN A 13 -10.247 14.388 0.578 1.00 0.52 N ATOM 161 CA ASN A 13 -9.785 15.736 0.892 1.00 0.56 C ATOM 162 C ASN A 13 -10.123 16.120 2.334 1.00 0.57 C ATOM 163 O ASN A 13 -9.920 17.262 2.753 1.00 0.65 O ATOM 164 CB ASN A 13 -10.387 16.749 -0.087 1.00 0.71 C ATOM 165 CG ASN A 13 -9.669 18.086 -0.061 1.00 1.50 C ATOM 166 OD1 ASN A 13 -8.469 18.159 0.212 1.00 2.37 O ATOM 167 ND2 ASN A 13 -10.397 19.152 -0.350 1.00 2.16 N ATOM 0 H ASN A 13 -11.163 14.346 0.131 1.00 0.52 H new ATOM 0 HA ASN A 13 -8.700 15.750 0.789 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -10.348 16.340 -1.097 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -11.439 16.901 0.155 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -9.968 20.077 -0.352 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -11.387 19.049 -0.571 1.00 2.16 H new ATOM 174 N ALA A 14 -10.644 15.165 3.096 1.00 0.55 N ATOM 175 CA ALA A 14 -10.849 15.365 4.521 1.00 0.59 C ATOM 176 C ALA A 14 -9.509 15.607 5.196 1.00 0.66 C ATOM 177 O ALA A 14 -8.537 14.896 4.923 1.00 1.31 O ATOM 178 CB ALA A 14 -11.544 14.165 5.140 1.00 0.60 C ATOM 0 H ALA A 14 -10.930 14.249 2.750 1.00 0.55 H new ATOM 0 HA ALA A 14 -11.489 16.235 4.667 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -11.687 14.337 6.207 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.513 14.020 4.663 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -10.931 13.275 4.995 1.00 0.60 H new ATOM 184 N SER A 15 -9.449 16.631 6.041 1.00 0.60 N ATOM 185 CA SER A 15 -8.212 17.009 6.719 1.00 0.54 C ATOM 186 C SER A 15 -7.140 17.388 5.690 1.00 0.52 C ATOM 187 O SER A 15 -5.940 17.348 5.972 1.00 0.53 O ATOM 188 CB SER A 15 -7.736 15.859 7.620 1.00 0.53 C ATOM 189 OG SER A 15 -6.734 16.283 8.530 1.00 1.23 O ATOM 0 H SER A 15 -10.249 17.219 6.275 1.00 0.60 H new ATOM 0 HA SER A 15 -8.397 17.880 7.348 1.00 0.54 H new ATOM 0 HB2 SER A 15 -8.584 15.457 8.174 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.347 15.050 7.002 1.00 0.53 H new ATOM 0 HG SER A 15 -6.150 16.936 8.092 1.00 1.23 H new ATOM 195 N ASN A 16 -7.608 17.757 4.494 1.00 0.53 N ATOM 196 CA ASN A 16 -6.750 18.121 3.364 1.00 0.57 C ATOM 197 C ASN A 16 -5.799 16.983 3.011 1.00 0.52 C ATOM 198 O ASN A 16 -4.669 17.207 2.576 1.00 0.68 O ATOM 199 CB ASN A 16 -5.964 19.416 3.633 1.00 0.66 C ATOM 200 CG ASN A 16 -6.869 20.615 3.908 1.00 0.76 C ATOM 201 OD1 ASN A 16 -7.976 20.481 4.431 1.00 1.08 O ATOM 202 ND2 ASN A 16 -6.402 21.802 3.558 1.00 1.30 N ATOM 0 H ASN A 16 -8.604 17.812 4.282 1.00 0.53 H new ATOM 0 HA ASN A 16 -7.405 18.304 2.512 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -5.303 19.263 4.486 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.330 19.635 2.774 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -6.963 22.639 3.719 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -5.481 21.881 3.127 1.00 1.30 H new ATOM 209 N GLY A 17 -6.262 15.756 3.211 1.00 0.39 N ATOM 210 CA GLY A 17 -5.468 14.602 2.860 1.00 0.34 C ATOM 211 C GLY A 17 -5.755 13.414 3.745 1.00 0.28 C ATOM 212 O GLY A 17 -5.307 13.367 4.882 1.00 0.29 O ATOM 0 H GLY A 17 -7.176 15.542 3.611 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -5.662 14.333 1.822 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.411 14.857 2.931 1.00 0.34 H new ATOM 216 N THR A 18 -6.513 12.467 3.231 1.00 0.27 N ATOM 217 CA THR A 18 -6.790 11.232 3.947 1.00 0.24 C ATOM 218 C THR A 18 -6.716 10.044 2.993 1.00 0.18 C ATOM 219 O THR A 18 -7.020 10.177 1.807 1.00 0.19 O ATOM 220 CB THR A 18 -8.184 11.267 4.614 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.256 12.349 5.553 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.484 9.959 5.333 1.00 0.33 C ATOM 0 H THR A 18 -6.953 12.527 2.313 1.00 0.27 H new ATOM 0 HA THR A 18 -6.036 11.126 4.727 1.00 0.24 H new ATOM 0 HB THR A 18 -8.925 11.411 3.827 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.532 13.167 5.089 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.471 10.014 5.792 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.462 9.137 4.617 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.734 9.788 6.105 1.00 0.33 H new ATOM 230 N LEU A 19 -6.300 8.894 3.508 1.00 0.15 N ATOM 231 CA LEU A 19 -6.286 7.678 2.717 1.00 0.13 C ATOM 232 C LEU A 19 -7.433 6.778 3.113 1.00 0.14 C ATOM 233 O LEU A 19 -7.839 6.731 4.276 1.00 0.21 O ATOM 234 CB LEU A 19 -4.982 6.909 2.867 1.00 0.14 C ATOM 235 CG LEU A 19 -3.743 7.611 2.334 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.615 6.609 2.202 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.040 8.285 1.001 1.00 0.58 C ATOM 0 H LEU A 19 -5.970 8.781 4.466 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.388 7.981 1.675 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.828 6.691 3.924 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.084 5.952 2.356 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.440 8.390 3.034 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.726 7.110 1.820 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.396 6.176 3.178 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.910 5.818 1.513 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.141 8.782 0.636 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.359 7.535 0.277 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.833 9.021 1.134 1.00 0.58 H new ATOM 249 N PHE A 20 -7.922 6.048 2.140 1.00 0.13 N ATOM 250 CA PHE A 20 -9.109 5.242 2.294 1.00 0.14 C ATOM 251 C PHE A 20 -8.926 3.923 1.558 1.00 0.13 C ATOM 252 O PHE A 20 -8.507 3.904 0.410 1.00 0.12 O ATOM 253 CB PHE A 20 -10.303 6.073 1.759 1.00 0.15 C ATOM 254 CG PHE A 20 -11.571 5.333 1.415 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.879 4.129 1.997 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.457 5.869 0.492 1.00 0.17 C ATOM 257 CE1 PHE A 20 -13.040 3.460 1.674 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.623 5.207 0.162 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.915 3.998 0.754 1.00 0.19 C ATOM 0 H PHE A 20 -7.504 5.996 1.211 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.301 4.988 3.336 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.547 6.829 2.505 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -9.970 6.602 0.866 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.201 3.699 2.719 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.232 6.817 0.025 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.265 2.513 2.142 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.304 5.636 -0.558 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.824 3.474 0.499 1.00 0.19 H new ATOM 269 N ILE A 21 -9.189 2.821 2.241 1.00 0.15 N ATOM 270 CA ILE A 21 -9.173 1.518 1.604 1.00 0.16 C ATOM 271 C ILE A 21 -10.589 0.985 1.471 1.00 0.18 C ATOM 272 O ILE A 21 -11.280 0.729 2.460 1.00 0.23 O ATOM 273 CB ILE A 21 -8.292 0.494 2.353 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.460 -0.892 1.720 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.628 0.458 3.840 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.596 -1.958 2.343 1.00 0.28 C ATOM 0 H ILE A 21 -9.416 2.804 3.235 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.733 1.654 0.616 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.250 0.801 2.264 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.505 -1.193 1.800 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -8.228 -0.825 0.657 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.991 -0.272 4.339 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.460 1.443 4.275 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.673 0.177 3.970 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.772 -2.909 1.840 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.547 -1.682 2.240 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.843 -2.055 3.400 1.00 0.28 H new ATOM 288 N VAL A 22 -11.027 0.858 0.239 1.00 0.16 N ATOM 289 CA VAL A 22 -12.362 0.384 -0.042 1.00 0.18 C ATOM 290 C VAL A 22 -12.356 -1.112 -0.340 1.00 0.18 C ATOM 291 O VAL A 22 -11.667 -1.584 -1.253 1.00 0.22 O ATOM 292 CB VAL A 22 -12.993 1.162 -1.218 1.00 0.21 C ATOM 293 CG1 VAL A 22 -12.149 1.029 -2.448 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.422 0.706 -1.479 1.00 0.24 C ATOM 0 H VAL A 22 -10.474 1.078 -0.589 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.968 0.558 0.847 1.00 0.18 H new ATOM 0 HB VAL A 22 -13.033 2.216 -0.944 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.609 1.583 -3.266 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -11.154 1.430 -2.252 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -12.069 -0.023 -2.722 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.838 1.272 -2.312 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.426 -0.356 -1.724 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -15.026 0.875 -0.588 1.00 0.24 H new ATOM 304 N TRP A 23 -13.095 -1.859 0.455 1.00 0.19 N ATOM 305 CA TRP A 23 -13.296 -3.268 0.196 1.00 0.21 C ATOM 306 C TRP A 23 -14.606 -3.452 -0.546 1.00 0.24 C ATOM 307 O TRP A 23 -15.683 -3.231 0.006 1.00 0.27 O ATOM 308 CB TRP A 23 -13.288 -4.078 1.494 1.00 0.23 C ATOM 309 CG TRP A 23 -11.916 -4.234 2.071 1.00 0.23 C ATOM 310 CD1 TRP A 23 -11.417 -3.632 3.191 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.857 -5.039 1.541 1.00 0.21 C ATOM 312 NE1 TRP A 23 -10.113 -4.019 3.390 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.747 -4.880 2.388 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.742 -5.881 0.429 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.537 -5.530 2.159 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.539 -6.522 0.202 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.451 -6.344 1.063 1.00 0.27 C ATOM 0 H TRP A 23 -13.568 -1.511 1.289 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.475 -3.637 -0.418 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.932 -3.590 2.226 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.712 -5.064 1.304 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.966 -2.952 3.826 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -9.515 -3.715 4.158 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.578 -6.027 -0.239 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.696 -5.396 2.823 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.437 -7.172 -0.655 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.524 -6.860 0.858 1.00 0.27 H new ATOM 328 N LYS A 24 -14.511 -3.841 -1.806 1.00 0.25 N ATOM 329 CA LYS A 24 -15.676 -3.932 -2.661 1.00 0.28 C ATOM 330 C LYS A 24 -15.461 -4.982 -3.751 1.00 0.33 C ATOM 331 O LYS A 24 -14.334 -5.436 -3.981 1.00 0.39 O ATOM 332 CB LYS A 24 -15.968 -2.573 -3.308 1.00 0.29 C ATOM 333 CG LYS A 24 -15.221 -2.333 -4.594 1.00 0.35 C ATOM 334 CD LYS A 24 -13.925 -1.582 -4.371 1.00 0.61 C ATOM 335 CE LYS A 24 -12.758 -2.506 -4.118 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.543 -3.449 -5.248 1.00 1.36 N ATOM 0 H LYS A 24 -13.634 -4.099 -2.258 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.527 -4.228 -2.047 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -17.038 -2.497 -3.502 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.715 -1.783 -2.600 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -15.007 -3.289 -5.072 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.853 -1.768 -5.279 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.712 -0.964 -5.243 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -14.041 -0.908 -3.523 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -11.855 -1.916 -3.961 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -12.934 -3.071 -3.202 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.526 -3.519 -5.453 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -12.910 -4.388 -4.991 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -13.043 -3.101 -6.091 1.00 1.36 H new ATOM 350 N LYS A 25 -16.539 -5.330 -4.439 1.00 0.36 N ATOM 351 CA LYS A 25 -16.488 -6.303 -5.523 1.00 0.42 C ATOM 352 C LYS A 25 -16.635 -5.592 -6.862 1.00 0.45 C ATOM 353 O LYS A 25 -16.855 -6.217 -7.899 1.00 0.56 O ATOM 354 CB LYS A 25 -17.586 -7.369 -5.378 1.00 0.49 C ATOM 355 CG LYS A 25 -17.378 -8.347 -4.238 1.00 0.67 C ATOM 356 CD LYS A 25 -17.861 -7.781 -2.920 1.00 0.70 C ATOM 357 CE LYS A 25 -18.039 -8.877 -1.897 1.00 0.94 C ATOM 358 NZ LYS A 25 -18.751 -8.406 -0.679 1.00 1.94 N ATOM 0 H LYS A 25 -17.469 -4.949 -4.264 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.522 -6.806 -5.476 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.543 -6.867 -5.237 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.654 -7.929 -6.311 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -17.909 -9.274 -4.452 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -16.320 -8.596 -4.161 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -17.146 -7.046 -2.551 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -18.806 -7.259 -3.068 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -18.596 -9.701 -2.344 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -17.062 -9.269 -1.615 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -18.392 -8.918 0.152 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -18.589 -7.386 -0.555 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -19.770 -8.584 -0.782 1.00 1.94 H new ATOM 372 N GLU A 26 -16.496 -4.277 -6.824 1.00 0.40 N ATOM 373 CA GLU A 26 -16.624 -3.450 -8.017 1.00 0.45 C ATOM 374 C GLU A 26 -15.360 -2.622 -8.215 1.00 0.41 C ATOM 375 O GLU A 26 -14.455 -2.643 -7.379 1.00 0.42 O ATOM 376 CB GLU A 26 -17.852 -2.533 -7.913 1.00 0.49 C ATOM 377 CG GLU A 26 -17.820 -1.590 -6.721 1.00 1.23 C ATOM 378 CD GLU A 26 -19.018 -0.669 -6.665 1.00 1.20 C ATOM 379 OE1 GLU A 26 -18.885 0.518 -7.037 1.00 1.45 O ATOM 380 OE2 GLU A 26 -20.109 -1.127 -6.271 1.00 1.19 O ATOM 0 H GLU A 26 -16.293 -3.754 -5.972 1.00 0.40 H new ATOM 0 HA GLU A 26 -16.758 -4.103 -8.879 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -17.932 -1.944 -8.827 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -18.749 -3.149 -7.852 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -17.775 -2.175 -5.803 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -16.910 -0.992 -6.762 1.00 1.23 H new ATOM 387 N LYS A 27 -15.290 -1.905 -9.318 1.00 0.48 N ATOM 388 CA LYS A 27 -14.126 -1.087 -9.606 1.00 0.49 C ATOM 389 C LYS A 27 -14.318 0.332 -9.082 1.00 0.47 C ATOM 390 O LYS A 27 -15.318 0.985 -9.367 1.00 0.68 O ATOM 391 CB LYS A 27 -13.834 -1.070 -11.105 1.00 0.64 C ATOM 392 CG LYS A 27 -14.973 -0.526 -11.955 1.00 1.53 C ATOM 393 CD LYS A 27 -14.547 -0.324 -13.399 1.00 1.71 C ATOM 394 CE LYS A 27 -13.403 0.673 -13.507 1.00 1.60 C ATOM 395 NZ LYS A 27 -12.997 0.905 -14.915 1.00 2.35 N ATOM 0 H LYS A 27 -16.021 -1.871 -10.028 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.269 -1.527 -9.095 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -12.943 -0.469 -11.284 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -13.605 -2.085 -11.431 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -15.817 -1.215 -11.917 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -15.316 0.422 -11.540 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -14.241 -1.279 -13.826 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -15.396 0.030 -13.984 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -13.703 1.619 -13.056 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -12.548 0.306 -12.939 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -12.215 1.590 -14.942 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -12.686 0.008 -15.339 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -13.805 1.280 -15.452 1.00 2.35 H new ATOM 409 N VAL A 28 -13.353 0.793 -8.305 1.00 0.43 N ATOM 410 CA VAL A 28 -13.386 2.131 -7.741 1.00 0.42 C ATOM 411 C VAL A 28 -12.379 3.017 -8.462 1.00 0.40 C ATOM 412 O VAL A 28 -11.180 2.739 -8.453 1.00 0.51 O ATOM 413 CB VAL A 28 -13.068 2.111 -6.227 1.00 0.52 C ATOM 414 CG1 VAL A 28 -12.949 3.526 -5.678 1.00 1.16 C ATOM 415 CG2 VAL A 28 -14.131 1.329 -5.459 1.00 1.07 C ATOM 0 H VAL A 28 -12.527 0.252 -8.048 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.392 2.529 -7.873 1.00 0.42 H new ATOM 0 HB VAL A 28 -12.109 1.610 -6.093 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -12.725 3.485 -4.612 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -12.147 4.051 -6.197 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.889 4.056 -5.831 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -13.886 1.329 -4.397 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -15.104 1.797 -5.607 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -14.162 0.303 -5.824 1.00 1.07 H new ATOM 425 N GLU A 29 -12.871 4.064 -9.105 1.00 0.37 N ATOM 426 CA GLU A 29 -12.010 4.975 -9.839 1.00 0.37 C ATOM 427 C GLU A 29 -11.484 6.072 -8.924 1.00 0.32 C ATOM 428 O GLU A 29 -11.997 6.263 -7.820 1.00 0.33 O ATOM 429 CB GLU A 29 -12.760 5.585 -11.019 1.00 0.45 C ATOM 430 CG GLU A 29 -13.188 4.562 -12.057 1.00 0.74 C ATOM 431 CD GLU A 29 -13.791 5.202 -13.286 1.00 1.33 C ATOM 432 OE1 GLU A 29 -13.032 5.569 -14.208 1.00 1.80 O ATOM 433 OE2 GLU A 29 -15.030 5.343 -13.339 1.00 1.98 O ATOM 0 H GLU A 29 -13.862 4.303 -9.133 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.161 4.408 -10.221 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.643 6.106 -10.648 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -12.125 6.332 -11.496 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -12.325 3.963 -12.349 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -13.914 3.880 -11.613 1.00 0.74 H new ATOM 440 N ASN A 30 -10.462 6.785 -9.400 1.00 0.33 N ATOM 441 CA ASN A 30 -9.781 7.824 -8.621 1.00 0.34 C ATOM 442 C ASN A 30 -9.013 7.182 -7.467 1.00 0.27 C ATOM 443 O ASN A 30 -8.720 7.818 -6.453 1.00 0.31 O ATOM 444 CB ASN A 30 -10.773 8.881 -8.103 1.00 0.40 C ATOM 445 CG ASN A 30 -10.093 10.120 -7.532 1.00 1.17 C ATOM 446 OD1 ASN A 30 -8.971 10.520 -8.118 1.00 1.67 O flip ATOM 447 ND2 ASN A 30 -10.587 10.729 -6.582 1.00 2.06 N flip ATOM 0 H ASN A 30 -10.081 6.659 -10.338 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.076 8.339 -9.273 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -11.432 9.180 -8.918 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -11.401 8.433 -7.333 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -11.451 10.394 -6.155 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -10.132 11.568 -6.222 1.00 2.06 H new ATOM 454 N ALA A 31 -8.686 5.909 -7.635 1.00 0.21 N ATOM 455 CA ALA A 31 -7.912 5.186 -6.651 1.00 0.18 C ATOM 456 C ALA A 31 -6.437 5.247 -7.006 1.00 0.17 C ATOM 457 O ALA A 31 -6.067 5.306 -8.181 1.00 0.20 O ATOM 458 CB ALA A 31 -8.381 3.749 -6.557 1.00 0.17 C ATOM 0 H ALA A 31 -8.949 5.357 -8.451 1.00 0.21 H new ATOM 0 HA ALA A 31 -8.056 5.653 -5.677 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.787 3.220 -5.811 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.431 3.727 -6.266 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -8.263 3.264 -7.526 1.00 0.17 H new ATOM 464 N LEU A 32 -5.607 5.246 -5.981 1.00 0.17 N ATOM 465 CA LEU A 32 -4.176 5.430 -6.134 1.00 0.18 C ATOM 466 C LEU A 32 -3.478 4.076 -6.124 1.00 0.17 C ATOM 467 O LEU A 32 -2.396 3.921 -6.681 1.00 0.19 O ATOM 468 CB LEU A 32 -3.604 6.294 -4.991 1.00 0.22 C ATOM 469 CG LEU A 32 -4.093 7.754 -4.848 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.582 7.917 -5.110 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.766 8.273 -3.459 1.00 0.28 C ATOM 0 H LEU A 32 -5.907 5.117 -5.015 1.00 0.17 H new ATOM 0 HA LEU A 32 -4.001 5.937 -7.083 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.814 5.782 -4.052 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.520 6.318 -5.105 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.569 8.333 -5.608 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.859 8.965 -4.993 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.811 7.592 -6.125 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -6.145 7.311 -4.400 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -4.113 9.302 -3.364 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.262 7.653 -2.713 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.688 8.238 -3.302 1.00 0.28 H new ATOM 483 N MET A 33 -4.105 3.097 -5.478 1.00 0.15 N ATOM 484 CA MET A 33 -3.521 1.761 -5.333 1.00 0.14 C ATOM 485 C MET A 33 -4.617 0.710 -5.221 1.00 0.12 C ATOM 486 O MET A 33 -5.790 1.048 -5.062 1.00 0.12 O ATOM 487 CB MET A 33 -2.608 1.671 -4.111 1.00 0.14 C ATOM 488 CG MET A 33 -1.374 2.542 -4.178 1.00 0.17 C ATOM 489 SD MET A 33 -0.411 2.456 -2.665 1.00 0.17 S ATOM 490 CE MET A 33 -0.108 0.696 -2.583 1.00 0.20 C ATOM 0 H MET A 33 -5.022 3.202 -5.044 1.00 0.15 H new ATOM 0 HA MET A 33 -2.922 1.574 -6.224 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.181 1.945 -3.225 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.298 0.634 -3.982 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.756 2.231 -5.020 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.668 3.575 -4.363 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.556 0.480 -1.746 1.00 0.20 H new ATOM 0 HE2 MET A 33 -1.053 0.170 -2.443 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.358 0.363 -3.511 1.00 0.20 H new ATOM 500 N PHE A 34 -4.234 -0.560 -5.299 1.00 0.12 N ATOM 501 CA PHE A 34 -5.196 -1.650 -5.323 1.00 0.12 C ATOM 502 C PHE A 34 -4.596 -2.911 -4.690 1.00 0.11 C ATOM 503 O PHE A 34 -3.386 -3.107 -4.709 1.00 0.12 O ATOM 504 CB PHE A 34 -5.624 -1.900 -6.776 1.00 0.13 C ATOM 505 CG PHE A 34 -6.624 -3.004 -6.970 1.00 0.15 C ATOM 506 CD1 PHE A 34 -6.223 -4.230 -7.459 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.965 -2.805 -6.698 1.00 0.19 C ATOM 508 CE1 PHE A 34 -7.144 -5.241 -7.671 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.889 -3.812 -6.900 1.00 0.23 C ATOM 510 CZ PHE A 34 -8.477 -5.031 -7.389 1.00 0.23 C ATOM 0 H PHE A 34 -3.260 -0.858 -5.347 1.00 0.12 H new ATOM 0 HA PHE A 34 -6.075 -1.383 -4.736 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -6.043 -0.978 -7.178 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.736 -2.129 -7.365 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -5.180 -4.403 -7.679 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.295 -1.848 -6.322 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.818 -6.195 -8.058 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.932 -3.643 -6.675 1.00 0.23 H new ATOM 0 HZ PHE A 34 -9.196 -5.821 -7.551 1.00 0.23 H new ATOM 520 N ILE A 35 -5.449 -3.747 -4.121 1.00 0.11 N ATOM 521 CA ILE A 35 -5.024 -5.000 -3.508 1.00 0.12 C ATOM 522 C ILE A 35 -5.728 -6.160 -4.184 1.00 0.12 C ATOM 523 O ILE A 35 -6.931 -6.093 -4.450 1.00 0.16 O ATOM 524 CB ILE A 35 -5.328 -5.065 -1.990 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.532 -4.008 -1.219 1.00 0.13 C ATOM 526 CG2 ILE A 35 -5.021 -6.457 -1.449 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.848 -3.963 0.266 1.00 0.14 C ATOM 0 H ILE A 35 -6.454 -3.579 -4.070 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.943 -5.059 -3.637 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.389 -4.856 -1.850 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.467 -4.203 -1.348 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.732 -3.028 -1.653 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.239 -6.489 -0.381 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.636 -7.193 -1.967 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -3.968 -6.686 -1.611 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.245 -3.190 0.743 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.905 -3.737 0.406 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.621 -4.930 0.716 1.00 0.14 H new ATOM 539 N LYS A 36 -4.985 -7.213 -4.448 1.00 0.13 N ATOM 540 CA LYS A 36 -5.526 -8.384 -5.106 1.00 0.15 C ATOM 541 C LYS A 36 -5.495 -9.590 -4.187 1.00 0.16 C ATOM 542 O LYS A 36 -4.435 -10.126 -3.920 1.00 0.22 O ATOM 543 CB LYS A 36 -4.664 -8.682 -6.326 1.00 0.25 C ATOM 544 CG LYS A 36 -5.168 -8.055 -7.604 1.00 0.64 C ATOM 545 CD LYS A 36 -6.384 -8.799 -8.123 1.00 0.70 C ATOM 546 CE LYS A 36 -6.012 -10.241 -8.465 1.00 1.57 C ATOM 547 NZ LYS A 36 -7.089 -10.958 -9.192 1.00 2.38 N ATOM 0 H LYS A 36 -3.995 -7.282 -4.214 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.561 -8.188 -5.386 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.650 -8.330 -6.136 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.606 -9.762 -6.462 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -5.423 -7.010 -7.426 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -4.380 -8.067 -8.356 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -7.174 -8.788 -7.373 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -6.777 -8.297 -9.007 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -5.107 -10.243 -9.072 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -5.780 -10.779 -7.546 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -6.907 -11.981 -9.161 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -8.005 -10.755 -8.743 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -7.110 -10.640 -10.182 1.00 2.38 H new ATOM 561 N PRO A 37 -6.639 -10.068 -3.705 1.00 0.17 N ATOM 562 CA PRO A 37 -6.685 -11.313 -2.958 1.00 0.21 C ATOM 563 C PRO A 37 -6.793 -12.514 -3.892 1.00 0.27 C ATOM 564 O PRO A 37 -7.698 -12.591 -4.726 1.00 0.35 O ATOM 565 CB PRO A 37 -7.946 -11.162 -2.089 1.00 0.24 C ATOM 566 CG PRO A 37 -8.491 -9.800 -2.397 1.00 0.23 C ATOM 567 CD PRO A 37 -7.951 -9.428 -3.744 1.00 0.18 C ATOM 0 HA PRO A 37 -5.785 -11.489 -2.369 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.676 -11.937 -2.321 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.705 -11.257 -1.030 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.581 -9.809 -2.404 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.183 -9.078 -1.641 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.571 -9.808 -4.556 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.879 -8.348 -3.876 1.00 0.18 H new ATOM 575 N THR A 38 -5.862 -13.444 -3.749 1.00 0.31 N ATOM 576 CA THR A 38 -5.851 -14.649 -4.560 1.00 0.38 C ATOM 577 C THR A 38 -6.696 -15.723 -3.901 1.00 0.44 C ATOM 578 O THR A 38 -7.394 -16.493 -4.560 1.00 0.54 O ATOM 579 CB THR A 38 -4.409 -15.150 -4.758 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.711 -15.154 -3.503 1.00 0.86 O ATOM 581 CG2 THR A 38 -3.674 -14.258 -5.737 1.00 0.78 C ATOM 0 H THR A 38 -5.100 -13.385 -3.074 1.00 0.31 H new ATOM 0 HA THR A 38 -6.272 -14.418 -5.538 1.00 0.38 H new ATOM 0 HB THR A 38 -4.447 -16.165 -5.154 1.00 0.48 H new ATOM 0 HG1 THR A 38 -3.038 -15.866 -3.506 1.00 0.86 H new ATOM 0 HG21 THR A 38 -2.655 -14.623 -5.868 1.00 0.78 H new ATOM 0 HG22 THR A 38 -4.190 -14.269 -6.697 1.00 0.78 H new ATOM 0 HG23 THR A 38 -3.647 -13.239 -5.351 1.00 0.78 H new ATOM 589 N LYS A 39 -6.635 -15.742 -2.584 1.00 0.48 N ATOM 590 CA LYS A 39 -7.480 -16.616 -1.789 1.00 0.63 C ATOM 591 C LYS A 39 -8.796 -15.919 -1.490 1.00 0.58 C ATOM 592 O LYS A 39 -8.963 -14.742 -1.822 1.00 0.54 O ATOM 593 CB LYS A 39 -6.790 -16.996 -0.480 1.00 0.78 C ATOM 594 CG LYS A 39 -5.630 -17.960 -0.649 1.00 0.93 C ATOM 595 CD LYS A 39 -6.094 -19.292 -1.219 1.00 1.09 C ATOM 596 CE LYS A 39 -4.972 -20.313 -1.233 1.00 1.65 C ATOM 597 NZ LYS A 39 -3.805 -19.847 -2.024 1.00 2.16 N ATOM 0 H LYS A 39 -6.004 -15.157 -2.037 1.00 0.48 H new ATOM 0 HA LYS A 39 -7.667 -17.527 -2.357 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -6.427 -16.089 0.004 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -7.525 -17.442 0.190 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -4.883 -17.520 -1.310 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -5.147 -18.123 0.314 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -6.926 -19.672 -0.626 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -6.466 -19.145 -2.233 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -4.657 -20.520 -0.210 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -5.340 -21.251 -1.649 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -3.120 -20.623 -2.122 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -4.123 -19.545 -2.967 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -3.354 -19.046 -1.538 1.00 2.16 H new ATOM 611 N GLU A 40 -9.733 -16.641 -0.887 1.00 0.66 N ATOM 612 CA GLU A 40 -10.974 -16.034 -0.441 1.00 0.64 C ATOM 613 C GLU A 40 -10.668 -14.893 0.500 1.00 0.57 C ATOM 614 O GLU A 40 -9.951 -15.047 1.493 1.00 0.62 O ATOM 615 CB GLU A 40 -11.877 -17.054 0.244 1.00 0.76 C ATOM 616 CG GLU A 40 -12.473 -18.077 -0.705 1.00 1.44 C ATOM 617 CD GLU A 40 -13.356 -19.070 0.012 1.00 1.86 C ATOM 618 OE1 GLU A 40 -13.017 -20.274 0.023 1.00 2.08 O ATOM 619 OE2 GLU A 40 -14.397 -18.659 0.562 1.00 2.42 O ATOM 0 H GLU A 40 -9.655 -17.640 -0.698 1.00 0.66 H new ATOM 0 HA GLU A 40 -11.505 -15.655 -1.314 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -11.305 -17.574 1.012 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -12.686 -16.527 0.751 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -13.053 -17.564 -1.472 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -11.670 -18.609 -1.215 1.00 1.44 H new ATOM 626 N VAL A 41 -11.201 -13.748 0.160 1.00 0.53 N ATOM 627 CA VAL A 41 -10.897 -12.527 0.844 1.00 0.49 C ATOM 628 C VAL A 41 -11.974 -12.212 1.875 1.00 0.51 C ATOM 629 O VAL A 41 -13.170 -12.295 1.587 1.00 0.54 O ATOM 630 CB VAL A 41 -10.737 -11.413 -0.199 1.00 0.53 C ATOM 631 CG1 VAL A 41 -11.906 -11.415 -1.168 1.00 0.73 C ATOM 632 CG2 VAL A 41 -10.557 -10.055 0.431 1.00 0.69 C ATOM 0 H VAL A 41 -11.864 -13.641 -0.607 1.00 0.53 H new ATOM 0 HA VAL A 41 -9.962 -12.619 1.396 1.00 0.49 H new ATOM 0 HB VAL A 41 -9.823 -11.623 -0.755 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -11.774 -10.618 -1.899 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -11.951 -12.375 -1.682 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -12.834 -11.253 -0.619 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -10.448 -9.303 -0.350 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.428 -9.819 1.043 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -9.665 -10.060 1.057 1.00 0.69 H new ATOM 642 N PRO A 42 -11.526 -11.890 3.100 1.00 0.55 N ATOM 643 CA PRO A 42 -12.386 -11.671 4.268 1.00 0.62 C ATOM 644 C PRO A 42 -13.659 -10.901 3.951 1.00 0.63 C ATOM 645 O PRO A 42 -13.610 -9.749 3.521 1.00 0.64 O ATOM 646 CB PRO A 42 -11.489 -10.846 5.178 1.00 0.68 C ATOM 647 CG PRO A 42 -10.120 -11.350 4.897 1.00 0.65 C ATOM 648 CD PRO A 42 -10.105 -11.711 3.437 1.00 0.58 C ATOM 0 HA PRO A 42 -12.740 -12.610 4.692 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -11.573 -9.781 4.961 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -11.755 -10.980 6.227 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.371 -10.590 5.119 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -9.888 -12.217 5.516 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -9.648 -10.925 2.836 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.534 -12.622 3.257 1.00 0.58 H new ATOM 656 N GLU A 43 -14.791 -11.531 4.222 1.00 0.69 N ATOM 657 CA GLU A 43 -16.084 -10.974 3.870 1.00 0.75 C ATOM 658 C GLU A 43 -16.457 -9.826 4.795 1.00 0.81 C ATOM 659 O GLU A 43 -17.112 -8.869 4.380 1.00 0.83 O ATOM 660 CB GLU A 43 -17.159 -12.050 3.933 1.00 0.85 C ATOM 661 CG GLU A 43 -17.974 -12.180 2.654 1.00 1.21 C ATOM 662 CD GLU A 43 -18.734 -10.917 2.297 1.00 1.68 C ATOM 663 OE1 GLU A 43 -19.591 -10.481 3.097 1.00 2.28 O ATOM 664 OE2 GLU A 43 -18.466 -10.343 1.222 1.00 1.87 O ATOM 0 H GLU A 43 -14.838 -12.437 4.689 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.015 -10.591 2.852 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -16.688 -13.008 4.152 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -17.833 -11.829 4.761 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -17.308 -12.440 1.831 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -18.681 -13.003 2.764 1.00 1.21 H new ATOM 671 N PHE A 44 -16.027 -9.908 6.050 1.00 0.86 N ATOM 672 CA PHE A 44 -16.383 -8.890 7.030 1.00 0.97 C ATOM 673 C PHE A 44 -15.757 -7.550 6.675 1.00 0.96 C ATOM 674 O PHE A 44 -16.259 -6.500 7.058 1.00 1.02 O ATOM 675 CB PHE A 44 -15.979 -9.290 8.443 1.00 1.11 C ATOM 676 CG PHE A 44 -16.572 -10.587 8.911 1.00 1.69 C ATOM 677 CD1 PHE A 44 -15.782 -11.718 9.037 1.00 2.33 C ATOM 678 CD2 PHE A 44 -17.921 -10.681 9.210 1.00 1.86 C ATOM 679 CE1 PHE A 44 -16.326 -12.917 9.454 1.00 3.18 C ATOM 680 CE2 PHE A 44 -18.470 -11.877 9.629 1.00 2.66 C ATOM 681 CZ PHE A 44 -17.666 -12.981 9.801 1.00 3.34 C ATOM 0 H PHE A 44 -15.438 -10.660 6.409 1.00 0.86 H new ATOM 0 HA PHE A 44 -17.469 -8.795 7.004 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -14.892 -9.362 8.491 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -16.276 -8.499 9.131 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -14.728 -11.661 8.806 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -18.551 -9.809 9.114 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -15.709 -13.802 9.509 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -19.530 -11.946 9.822 1.00 2.66 H new ATOM 0 HZ PHE A 44 -18.078 -13.894 10.205 1.00 3.34 H new ATOM 691 N LYS A 45 -14.667 -7.585 5.929 1.00 0.90 N ATOM 692 CA LYS A 45 -14.050 -6.364 5.445 1.00 0.93 C ATOM 693 C LYS A 45 -14.989 -5.629 4.497 1.00 0.89 C ATOM 694 O LYS A 45 -14.958 -4.403 4.397 1.00 0.98 O ATOM 695 CB LYS A 45 -12.719 -6.676 4.771 1.00 0.94 C ATOM 696 CG LYS A 45 -11.550 -6.658 5.739 1.00 1.07 C ATOM 697 CD LYS A 45 -11.714 -7.660 6.872 1.00 1.09 C ATOM 698 CE LYS A 45 -10.615 -7.498 7.908 1.00 1.27 C ATOM 699 NZ LYS A 45 -10.770 -8.447 9.042 1.00 1.94 N ATOM 0 H LYS A 45 -14.193 -8.443 5.646 1.00 0.90 H new ATOM 0 HA LYS A 45 -13.854 -5.709 6.294 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -12.778 -7.656 4.298 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.539 -5.950 3.978 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -10.630 -6.876 5.196 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -11.444 -5.657 6.157 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -12.687 -7.523 7.345 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -11.694 -8.673 6.471 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -9.646 -7.655 7.435 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -10.623 -6.476 8.287 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -9.999 -8.301 9.725 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -11.683 -8.281 9.511 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -10.736 -9.423 8.685 1.00 1.94 H new ATOM 713 N PHE A 46 -15.848 -6.387 3.830 1.00 0.79 N ATOM 714 CA PHE A 46 -16.843 -5.815 2.939 1.00 0.78 C ATOM 715 C PHE A 46 -18.100 -5.425 3.716 1.00 0.83 C ATOM 716 O PHE A 46 -18.600 -4.310 3.592 1.00 0.93 O ATOM 717 CB PHE A 46 -17.221 -6.813 1.843 1.00 0.74 C ATOM 718 CG PHE A 46 -16.075 -7.266 0.983 1.00 0.65 C ATOM 719 CD1 PHE A 46 -15.416 -8.443 1.266 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.673 -6.529 -0.114 1.00 0.64 C ATOM 721 CE1 PHE A 46 -14.373 -8.882 0.476 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.628 -6.959 -0.910 1.00 0.58 C ATOM 723 CZ PHE A 46 -13.976 -8.137 -0.615 1.00 0.54 C ATOM 0 H PHE A 46 -15.874 -7.405 3.891 1.00 0.79 H new ATOM 0 HA PHE A 46 -16.410 -4.925 2.483 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.676 -7.687 2.308 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -17.980 -6.360 1.205 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -15.721 -9.031 2.119 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -16.181 -5.606 -0.352 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -13.868 -9.807 0.712 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -14.322 -6.372 -1.763 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.159 -8.475 -1.235 1.00 0.54 H new ATOM 733 N VAL A 47 -18.601 -6.351 4.525 1.00 0.81 N ATOM 734 CA VAL A 47 -19.872 -6.158 5.216 1.00 0.88 C ATOM 735 C VAL A 47 -19.726 -5.332 6.499 1.00 0.87 C ATOM 736 O VAL A 47 -20.433 -4.342 6.684 1.00 0.92 O ATOM 737 CB VAL A 47 -20.559 -7.510 5.534 1.00 0.97 C ATOM 738 CG1 VAL A 47 -19.663 -8.427 6.360 1.00 0.98 C ATOM 739 CG2 VAL A 47 -21.888 -7.273 6.231 1.00 1.07 C ATOM 0 H VAL A 47 -18.147 -7.244 4.719 1.00 0.81 H new ATOM 0 HA VAL A 47 -20.504 -5.595 4.529 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.745 -8.018 4.588 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -20.185 -9.363 6.559 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.746 -8.633 5.808 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -19.417 -7.941 7.304 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -22.360 -8.231 6.449 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -21.719 -6.732 7.162 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -22.539 -6.686 5.583 1.00 1.07 H new ATOM 749 N ASN A 48 -18.790 -5.711 7.358 1.00 0.86 N ATOM 750 CA ASN A 48 -18.677 -5.112 8.686 1.00 0.90 C ATOM 751 C ASN A 48 -18.122 -3.693 8.612 1.00 0.82 C ATOM 752 O ASN A 48 -18.484 -2.833 9.413 1.00 0.91 O ATOM 753 CB ASN A 48 -17.804 -5.994 9.591 1.00 0.96 C ATOM 754 CG ASN A 48 -17.579 -5.399 10.968 1.00 1.07 C ATOM 755 OD1 ASN A 48 -18.401 -5.561 11.870 1.00 1.50 O ATOM 756 ND2 ASN A 48 -16.448 -4.739 11.150 1.00 1.66 N ATOM 0 H ASN A 48 -18.095 -6.432 7.161 1.00 0.86 H new ATOM 0 HA ASN A 48 -19.676 -5.049 9.116 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -18.274 -6.972 9.697 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -16.839 -6.155 9.110 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -16.231 -4.342 12.064 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -15.793 -4.627 10.376 1.00 1.66 H new ATOM 763 N ARG A 49 -17.244 -3.450 7.647 1.00 0.69 N ATOM 764 CA ARG A 49 -16.702 -2.109 7.443 1.00 0.63 C ATOM 765 C ARG A 49 -17.593 -1.311 6.498 1.00 0.58 C ATOM 766 O ARG A 49 -17.341 -0.133 6.248 1.00 0.57 O ATOM 767 CB ARG A 49 -15.277 -2.164 6.882 1.00 0.59 C ATOM 768 CG ARG A 49 -14.300 -2.905 7.779 1.00 0.92 C ATOM 769 CD ARG A 49 -12.881 -2.876 7.227 1.00 1.01 C ATOM 770 NE ARG A 49 -11.932 -3.501 8.148 1.00 1.28 N ATOM 771 CZ ARG A 49 -10.615 -3.578 7.947 1.00 1.45 C ATOM 772 NH1 ARG A 49 -10.068 -3.085 6.839 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.842 -4.149 8.862 1.00 2.00 N ATOM 0 H ARG A 49 -16.894 -4.155 6.998 1.00 0.69 H new ATOM 0 HA ARG A 49 -16.673 -1.615 8.414 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -15.298 -2.646 5.905 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -14.916 -1.147 6.728 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -14.311 -2.458 8.773 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -14.624 -3.940 7.891 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -12.852 -3.393 6.268 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -12.583 -1.844 7.042 1.00 1.01 H new ATOM 0 HE ARG A 49 -12.304 -3.908 9.006 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -10.656 -2.643 6.133 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -9.060 -3.149 6.696 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -10.255 -4.527 9.715 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.835 -4.210 8.713 1.00 2.00 H new ATOM 787 N ASN A 50 -18.622 -1.975 5.963 1.00 0.60 N ATOM 788 CA ASN A 50 -19.518 -1.378 4.967 1.00 0.63 C ATOM 789 C ASN A 50 -18.733 -1.063 3.692 1.00 0.54 C ATOM 790 O ASN A 50 -19.182 -0.327 2.815 1.00 0.61 O ATOM 791 CB ASN A 50 -20.188 -0.118 5.533 1.00 0.71 C ATOM 792 CG ASN A 50 -21.291 0.443 4.646 1.00 1.46 C ATOM 793 OD1 ASN A 50 -21.986 -0.424 3.922 1.00 2.26 O flip ATOM 794 ND2 ASN A 50 -21.525 1.652 4.622 1.00 2.05 N flip ATOM 0 H ASN A 50 -18.857 -2.937 6.206 1.00 0.60 H new ATOM 0 HA ASN A 50 -20.307 -2.089 4.721 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -20.605 -0.349 6.513 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -19.429 0.650 5.682 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -20.970 2.290 5.192 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -22.274 2.015 4.032 1.00 2.05 H new ATOM 801 N GLY A 51 -17.545 -1.641 3.609 1.00 0.46 N ATOM 802 CA GLY A 51 -16.680 -1.444 2.467 1.00 0.41 C ATOM 803 C GLY A 51 -15.799 -0.223 2.618 1.00 0.33 C ATOM 804 O GLY A 51 -14.833 -0.056 1.878 1.00 0.34 O ATOM 0 H GLY A 51 -17.160 -2.254 4.327 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -16.054 -2.326 2.331 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.287 -1.342 1.567 1.00 0.41 H new ATOM 808 N LYS A 52 -16.118 0.623 3.588 1.00 0.29 N ATOM 809 CA LYS A 52 -15.379 1.858 3.777 1.00 0.29 C ATOM 810 C LYS A 52 -14.482 1.789 5.010 1.00 0.30 C ATOM 811 O LYS A 52 -14.932 1.438 6.102 1.00 0.36 O ATOM 812 CB LYS A 52 -16.327 3.063 3.859 1.00 0.34 C ATOM 813 CG LYS A 52 -17.343 2.999 4.988 1.00 1.14 C ATOM 814 CD LYS A 52 -18.035 4.340 5.170 1.00 1.28 C ATOM 815 CE LYS A 52 -17.071 5.397 5.688 1.00 1.67 C ATOM 816 NZ LYS A 52 -17.720 6.723 5.855 1.00 2.43 N ATOM 0 H LYS A 52 -16.879 0.476 4.251 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.737 1.990 2.906 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -15.732 3.969 3.976 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -16.861 3.152 2.913 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -18.084 2.229 4.773 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -16.846 2.713 5.915 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -18.457 4.665 4.219 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.866 4.231 5.867 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -16.661 5.073 6.645 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -16.233 5.490 4.997 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -17.023 7.408 6.210 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -18.089 7.047 4.938 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -18.503 6.643 6.534 1.00 2.43 H new ATOM 830 N ASN A 53 -13.209 2.109 4.831 1.00 0.30 N ATOM 831 CA ASN A 53 -12.272 2.150 5.943 1.00 0.34 C ATOM 832 C ASN A 53 -11.198 3.205 5.697 1.00 0.27 C ATOM 833 O ASN A 53 -10.467 3.142 4.710 1.00 0.24 O ATOM 834 CB ASN A 53 -11.624 0.776 6.148 1.00 0.43 C ATOM 835 CG ASN A 53 -10.681 0.729 7.342 1.00 1.14 C ATOM 836 OD1 ASN A 53 -11.009 1.463 8.398 1.00 1.72 O flip ATOM 837 ND2 ASN A 53 -9.677 0.018 7.324 1.00 2.05 N flip ATOM 0 H ASN A 53 -12.801 2.344 3.926 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.822 2.416 6.846 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.406 0.029 6.282 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -11.073 0.503 5.248 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -9.457 -0.533 6.494 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -9.065 -0.021 8.139 1.00 2.05 H new ATOM 844 N GLU A 54 -11.116 4.178 6.592 1.00 0.30 N ATOM 845 CA GLU A 54 -10.099 5.215 6.498 1.00 0.28 C ATOM 846 C GLU A 54 -8.805 4.752 7.150 1.00 0.28 C ATOM 847 O GLU A 54 -8.807 4.156 8.228 1.00 0.40 O ATOM 848 CB GLU A 54 -10.589 6.509 7.143 1.00 0.33 C ATOM 849 CG GLU A 54 -11.613 7.251 6.299 1.00 0.35 C ATOM 850 CD GLU A 54 -12.197 8.446 7.020 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.380 8.391 7.420 1.00 1.15 O ATOM 852 OE2 GLU A 54 -11.474 9.453 7.190 1.00 1.47 O ATOM 0 H GLU A 54 -11.742 4.271 7.392 1.00 0.30 H new ATOM 0 HA GLU A 54 -9.904 5.410 5.443 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.027 6.280 8.115 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -9.736 7.162 7.324 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.145 7.582 5.372 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.416 6.568 6.023 1.00 0.35 H new ATOM 859 N LEU A 55 -7.702 5.032 6.477 1.00 0.21 N ATOM 860 CA LEU A 55 -6.394 4.560 6.898 1.00 0.22 C ATOM 861 C LEU A 55 -5.641 5.618 7.693 1.00 0.24 C ATOM 862 O LEU A 55 -5.341 5.431 8.871 1.00 0.32 O ATOM 863 CB LEU A 55 -5.581 4.168 5.669 1.00 0.21 C ATOM 864 CG LEU A 55 -5.909 2.803 5.074 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.254 2.664 3.716 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.448 1.692 6.005 1.00 0.54 C ATOM 0 H LEU A 55 -7.688 5.592 5.625 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.538 3.697 7.547 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.730 4.926 4.900 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.524 4.185 5.933 1.00 0.21 H new ATOM 0 HG LEU A 55 -6.989 2.720 4.954 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.492 1.687 3.296 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.625 3.445 3.052 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.173 2.760 3.822 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.690 0.725 5.565 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.370 1.764 6.152 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -5.953 1.790 6.966 1.00 0.54 H new ATOM 878 N ILE A 56 -5.339 6.726 7.044 1.00 0.21 N ATOM 879 CA ILE A 56 -4.530 7.770 7.650 1.00 0.22 C ATOM 880 C ILE A 56 -5.019 9.136 7.177 1.00 0.22 C ATOM 881 O ILE A 56 -5.557 9.245 6.077 1.00 0.22 O ATOM 882 CB ILE A 56 -3.042 7.569 7.283 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.141 8.473 8.126 1.00 0.23 C ATOM 884 CG2 ILE A 56 -2.830 7.845 5.805 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.666 8.151 8.005 1.00 0.25 C ATOM 0 H ILE A 56 -5.643 6.928 6.092 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.626 7.718 8.734 1.00 0.22 H new ATOM 0 HB ILE A 56 -2.774 6.534 7.495 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.302 9.509 7.829 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.437 8.391 9.172 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.779 7.701 5.555 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.440 7.160 5.216 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.119 8.872 5.582 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.092 8.834 8.631 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.490 7.126 8.330 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.353 8.261 6.967 1.00 0.25 H new ATOM 897 N ARG A 57 -4.850 10.173 7.991 1.00 0.26 N ATOM 898 CA ARG A 57 -5.393 11.482 7.648 1.00 0.27 C ATOM 899 C ARG A 57 -4.389 12.608 7.914 1.00 0.29 C ATOM 900 O ARG A 57 -3.330 12.382 8.500 1.00 0.34 O ATOM 901 CB ARG A 57 -6.704 11.718 8.416 1.00 0.37 C ATOM 902 CG ARG A 57 -6.530 11.976 9.907 1.00 0.49 C ATOM 903 CD ARG A 57 -6.648 13.458 10.219 1.00 0.88 C ATOM 904 NE ARG A 57 -6.371 13.763 11.619 1.00 1.34 N ATOM 905 CZ ARG A 57 -6.431 14.990 12.140 1.00 1.83 C ATOM 906 NH1 ARG A 57 -6.706 16.035 11.365 1.00 1.96 N ATOM 907 NH2 ARG A 57 -6.195 15.173 13.431 1.00 2.23 N ATOM 0 H ARG A 57 -4.350 10.135 8.879 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.599 11.493 6.578 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.221 12.568 7.972 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.348 10.849 8.284 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.284 11.422 10.466 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -5.557 11.608 10.232 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -5.956 14.014 9.587 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -7.653 13.799 9.969 1.00 0.88 H new ATOM 0 HE ARG A 57 -6.116 12.992 12.236 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -6.872 15.901 10.368 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -6.751 16.971 11.768 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -5.968 14.376 14.026 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -6.241 16.111 13.830 1.00 2.23 H new ATOM 921 N ASN A 58 -4.751 13.813 7.460 1.00 0.30 N ATOM 922 CA ASN A 58 -3.941 15.024 7.618 1.00 0.33 C ATOM 923 C ASN A 58 -2.636 14.916 6.824 1.00 0.31 C ATOM 924 O ASN A 58 -1.565 15.309 7.287 1.00 0.33 O ATOM 925 CB ASN A 58 -3.671 15.298 9.104 1.00 0.39 C ATOM 926 CG ASN A 58 -2.986 16.630 9.356 1.00 0.46 C ATOM 927 OD1 ASN A 58 -3.135 17.580 8.585 1.00 1.01 O ATOM 928 ND2 ASN A 58 -2.232 16.709 10.440 1.00 1.40 N ATOM 0 H ASN A 58 -5.628 13.976 6.965 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.500 15.869 7.216 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -4.615 15.275 9.648 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.051 14.497 9.507 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -1.749 17.579 10.663 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -2.134 15.900 11.053 1.00 1.40 H new ATOM 935 N LEU A 59 -2.746 14.404 5.602 1.00 0.28 N ATOM 936 CA LEU A 59 -1.584 14.183 4.749 1.00 0.27 C ATOM 937 C LEU A 59 -0.975 15.495 4.267 1.00 0.33 C ATOM 938 O LEU A 59 0.165 15.526 3.811 1.00 0.33 O ATOM 939 CB LEU A 59 -1.968 13.328 3.545 1.00 0.24 C ATOM 940 CG LEU A 59 -2.656 12.006 3.876 1.00 0.20 C ATOM 941 CD1 LEU A 59 -2.903 11.202 2.614 1.00 0.19 C ATOM 942 CD2 LEU A 59 -1.828 11.203 4.862 1.00 0.20 C ATOM 0 H LEU A 59 -3.634 14.133 5.179 1.00 0.28 H new ATOM 0 HA LEU A 59 -0.837 13.663 5.348 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.628 13.911 2.902 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.067 13.116 2.969 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.618 12.229 4.337 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.394 10.263 2.871 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.541 11.772 1.938 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -1.952 10.992 2.124 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.336 10.265 5.084 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -0.850 10.992 4.429 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.702 11.774 5.782 1.00 0.20 H new ATOM 954 N GLN A 60 -1.744 16.573 4.338 1.00 0.40 N ATOM 955 CA GLN A 60 -1.251 17.881 3.925 1.00 0.49 C ATOM 956 C GLN A 60 -0.033 18.303 4.737 1.00 0.51 C ATOM 957 O GLN A 60 0.944 18.812 4.188 1.00 0.53 O ATOM 958 CB GLN A 60 -2.314 18.946 4.092 1.00 0.62 C ATOM 959 CG GLN A 60 -1.955 20.239 3.380 1.00 0.81 C ATOM 960 CD GLN A 60 -2.923 21.373 3.628 1.00 1.00 C ATOM 961 OE1 GLN A 60 -3.862 21.571 2.865 1.00 1.76 O ATOM 962 NE2 GLN A 60 -2.695 22.133 4.685 1.00 1.27 N ATOM 0 H GLN A 60 -2.706 16.569 4.676 1.00 0.40 H new ATOM 0 HA GLN A 60 -0.978 17.787 2.874 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -3.262 18.573 3.705 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -2.459 19.147 5.153 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -0.959 20.550 3.696 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -1.904 20.048 2.308 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -1.902 21.934 5.295 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -3.312 22.919 4.891 1.00 1.27 H new ATOM 971 N SER A 61 -0.095 18.080 6.044 1.00 0.53 N ATOM 972 CA SER A 61 0.919 18.590 6.958 1.00 0.60 C ATOM 973 C SER A 61 2.255 17.882 6.765 1.00 0.48 C ATOM 974 O SER A 61 3.297 18.367 7.214 1.00 0.56 O ATOM 975 CB SER A 61 0.446 18.434 8.404 1.00 0.79 C ATOM 976 OG SER A 61 0.215 17.071 8.721 1.00 1.59 O ATOM 0 H SER A 61 -0.839 17.548 6.496 1.00 0.53 H new ATOM 0 HA SER A 61 1.067 19.647 6.737 1.00 0.60 H new ATOM 0 HB2 SER A 61 1.194 18.846 9.081 1.00 0.79 H new ATOM 0 HB3 SER A 61 -0.470 19.006 8.554 1.00 0.79 H new ATOM 0 HG SER A 61 -0.510 16.723 8.161 1.00 1.59 H new ATOM 982 N ASP A 62 2.223 16.750 6.085 1.00 0.41 N ATOM 983 CA ASP A 62 3.431 15.948 5.892 1.00 0.41 C ATOM 984 C ASP A 62 3.249 14.923 4.787 1.00 0.36 C ATOM 985 O ASP A 62 2.310 14.130 4.798 1.00 0.33 O ATOM 986 CB ASP A 62 3.815 15.240 7.190 1.00 0.52 C ATOM 987 CG ASP A 62 5.020 14.336 7.024 1.00 1.18 C ATOM 988 OD1 ASP A 62 4.851 13.102 7.071 1.00 1.92 O ATOM 989 OD2 ASP A 62 6.144 14.856 6.849 1.00 1.41 O ATOM 0 H ASP A 62 1.382 16.362 5.657 1.00 0.41 H new ATOM 0 HA ASP A 62 4.231 16.628 5.600 1.00 0.41 H new ATOM 0 HB2 ASP A 62 4.027 15.985 7.957 1.00 0.52 H new ATOM 0 HB3 ASP A 62 2.969 14.651 7.543 1.00 0.52 H new ATOM 994 N LYS A 63 4.182 14.948 3.843 1.00 0.39 N ATOM 995 CA LYS A 63 4.157 14.069 2.682 1.00 0.40 C ATOM 996 C LYS A 63 4.260 12.610 3.075 1.00 0.33 C ATOM 997 O LYS A 63 3.583 11.755 2.510 1.00 0.30 O ATOM 998 CB LYS A 63 5.311 14.415 1.758 1.00 0.52 C ATOM 999 CG LYS A 63 5.163 15.776 1.130 1.00 1.06 C ATOM 1000 CD LYS A 63 4.696 15.672 -0.308 1.00 1.18 C ATOM 1001 CE LYS A 63 5.839 15.313 -1.245 1.00 1.00 C ATOM 1002 NZ LYS A 63 6.906 16.351 -1.246 1.00 1.68 N ATOM 0 H LYS A 63 4.981 15.582 3.862 1.00 0.39 H new ATOM 0 HA LYS A 63 3.203 14.218 2.176 1.00 0.40 H new ATOM 0 HB2 LYS A 63 6.245 14.378 2.319 1.00 0.52 H new ATOM 0 HB3 LYS A 63 5.381 13.662 0.973 1.00 0.52 H new ATOM 0 HG2 LYS A 63 4.450 16.368 1.704 1.00 1.06 H new ATOM 0 HG3 LYS A 63 6.117 16.302 1.167 1.00 1.06 H new ATOM 0 HD2 LYS A 63 3.913 14.917 -0.383 1.00 1.18 H new ATOM 0 HD3 LYS A 63 4.256 16.620 -0.617 1.00 1.18 H new ATOM 0 HE2 LYS A 63 6.265 14.355 -0.947 1.00 1.00 H new ATOM 0 HE3 LYS A 63 5.453 15.189 -2.257 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 7.135 16.612 -2.226 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 6.573 17.192 -0.732 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 7.757 15.975 -0.780 1.00 1.68 H new ATOM 1016 N LYS A 64 5.106 12.340 4.056 1.00 0.34 N ATOM 1017 CA LYS A 64 5.434 10.970 4.431 1.00 0.33 C ATOM 1018 C LYS A 64 4.226 10.231 4.994 1.00 0.27 C ATOM 1019 O LYS A 64 4.173 9.003 4.973 1.00 0.27 O ATOM 1020 CB LYS A 64 6.558 10.945 5.458 1.00 0.40 C ATOM 1021 CG LYS A 64 7.840 11.614 4.997 1.00 0.42 C ATOM 1022 CD LYS A 64 8.281 11.129 3.626 1.00 0.38 C ATOM 1023 CE LYS A 64 9.596 11.770 3.213 1.00 0.51 C ATOM 1024 NZ LYS A 64 9.506 13.255 3.179 1.00 1.07 N ATOM 0 H LYS A 64 5.581 13.053 4.610 1.00 0.34 H new ATOM 0 HA LYS A 64 5.757 10.463 3.522 1.00 0.33 H new ATOM 0 HB2 LYS A 64 6.213 11.435 6.369 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.775 9.909 5.716 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.694 12.694 4.969 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.631 11.418 5.721 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.390 10.045 3.639 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.512 11.363 2.890 1.00 0.38 H new ATOM 0 HE2 LYS A 64 10.380 11.470 3.909 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.885 11.402 2.229 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 10.337 13.642 2.688 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 8.643 13.539 2.674 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 9.475 13.623 4.151 1.00 1.07 H new ATOM 1038 N LEU A 65 3.277 10.982 5.526 1.00 0.25 N ATOM 1039 CA LEU A 65 2.033 10.413 6.013 1.00 0.21 C ATOM 1040 C LEU A 65 1.324 9.613 4.921 1.00 0.17 C ATOM 1041 O LEU A 65 0.782 8.543 5.191 1.00 0.18 O ATOM 1042 CB LEU A 65 1.123 11.513 6.550 1.00 0.24 C ATOM 1043 CG LEU A 65 1.666 12.263 7.763 1.00 0.28 C ATOM 1044 CD1 LEU A 65 0.643 13.255 8.287 1.00 0.34 C ATOM 1045 CD2 LEU A 65 2.072 11.286 8.852 1.00 0.31 C ATOM 0 H LEU A 65 3.346 11.994 5.632 1.00 0.25 H new ATOM 0 HA LEU A 65 2.270 9.727 6.826 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.936 12.231 5.752 1.00 0.24 H new ATOM 0 HB3 LEU A 65 0.162 11.072 6.814 1.00 0.24 H new ATOM 0 HG LEU A 65 2.549 12.821 7.453 1.00 0.28 H new ATOM 0 HD11 LEU A 65 1.053 13.778 9.152 1.00 0.34 H new ATOM 0 HD12 LEU A 65 0.403 13.977 7.506 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.262 12.723 8.580 1.00 0.34 H new ATOM 0 HD21 LEU A 65 2.457 11.837 9.710 1.00 0.31 H new ATOM 0 HD22 LEU A 65 1.205 10.700 9.157 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.846 10.619 8.472 1.00 0.31 H new ATOM 1057 N PHE A 66 1.340 10.119 3.688 1.00 0.15 N ATOM 1058 CA PHE A 66 0.779 9.372 2.568 1.00 0.13 C ATOM 1059 C PHE A 66 1.567 8.082 2.366 1.00 0.14 C ATOM 1060 O PHE A 66 0.992 7.037 2.070 1.00 0.15 O ATOM 1061 CB PHE A 66 0.777 10.223 1.286 1.00 0.14 C ATOM 1062 CG PHE A 66 0.320 9.492 0.042 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.697 8.553 0.095 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.917 9.745 -1.179 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.105 7.879 -1.043 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.514 9.082 -2.320 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.497 8.147 -2.253 1.00 0.21 C ATOM 0 H PHE A 66 1.730 11.029 3.444 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.257 9.120 2.795 1.00 0.13 H new ATOM 0 HB2 PHE A 66 0.131 11.087 1.441 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.784 10.604 1.118 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.179 8.344 1.039 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.712 10.474 -1.241 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -1.896 7.146 -0.985 1.00 0.15 H new ATOM 0 HE2 PHE A 66 0.990 9.295 -3.265 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.812 7.626 -3.145 1.00 0.21 H new ATOM 1077 N TYR A 67 2.878 8.147 2.579 1.00 0.16 N ATOM 1078 CA TYR A 67 3.735 6.978 2.411 1.00 0.18 C ATOM 1079 C TYR A 67 3.315 5.902 3.406 1.00 0.16 C ATOM 1080 O TYR A 67 3.048 4.758 3.041 1.00 0.18 O ATOM 1081 CB TYR A 67 5.218 7.304 2.645 1.00 0.22 C ATOM 1082 CG TYR A 67 5.829 8.315 1.700 1.00 0.26 C ATOM 1083 CD1 TYR A 67 5.155 9.473 1.364 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.108 8.130 1.188 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.721 10.419 0.546 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.683 9.071 0.355 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.984 10.217 0.041 1.00 0.35 C ATOM 1088 OH TYR A 67 7.549 11.167 -0.779 1.00 0.40 O ATOM 0 H TYR A 67 3.369 8.994 2.867 1.00 0.16 H new ATOM 0 HA TYR A 67 3.620 6.634 1.383 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.333 7.673 3.664 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.789 6.378 2.575 1.00 0.22 H new ATOM 0 HD1 TYR A 67 4.161 9.638 1.753 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.660 7.238 1.445 1.00 0.33 H new ATOM 0 HE1 TYR A 67 5.176 11.319 0.300 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.672 8.910 -0.047 1.00 0.37 H new ATOM 0 HH TYR A 67 8.523 11.155 -0.671 1.00 0.40 H new ATOM 1098 N SER A 68 3.278 6.291 4.675 1.00 0.15 N ATOM 1099 CA SER A 68 2.876 5.408 5.756 1.00 0.18 C ATOM 1100 C SER A 68 1.448 4.908 5.549 1.00 0.17 C ATOM 1101 O SER A 68 1.147 3.750 5.820 1.00 0.20 O ATOM 1102 CB SER A 68 3.002 6.134 7.099 1.00 0.26 C ATOM 1103 OG SER A 68 2.754 5.262 8.188 1.00 1.22 O ATOM 0 H SER A 68 3.527 7.231 4.981 1.00 0.15 H new ATOM 0 HA SER A 68 3.538 4.542 5.760 1.00 0.18 H new ATOM 0 HB2 SER A 68 4.002 6.558 7.192 1.00 0.26 H new ATOM 0 HB3 SER A 68 2.299 6.966 7.131 1.00 0.26 H new ATOM 0 HG SER A 68 2.844 5.756 9.030 1.00 1.22 H new ATOM 1109 N GLY A 69 0.573 5.775 5.063 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.775 5.347 4.750 1.00 0.17 C ATOM 1111 C GLY A 69 -0.778 4.215 3.745 1.00 0.16 C ATOM 1112 O GLY A 69 -1.594 3.297 3.828 1.00 0.17 O ATOM 0 H GLY A 69 0.769 6.759 4.881 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.277 5.026 5.663 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.342 6.189 4.353 1.00 0.17 H new ATOM 1116 N ILE A 70 0.150 4.285 2.801 1.00 0.15 N ATOM 1117 CA ILE A 70 0.342 3.231 1.824 1.00 0.16 C ATOM 1118 C ILE A 70 0.744 1.918 2.498 1.00 0.16 C ATOM 1119 O ILE A 70 0.200 0.868 2.174 1.00 0.17 O ATOM 1120 CB ILE A 70 1.414 3.626 0.792 1.00 0.16 C ATOM 1121 CG1 ILE A 70 0.935 4.832 -0.018 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.735 2.451 -0.117 1.00 0.17 C ATOM 1123 CD1 ILE A 70 1.961 5.364 -0.994 1.00 0.18 C ATOM 0 H ILE A 70 0.788 5.074 2.694 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.610 3.087 1.313 1.00 0.16 H new ATOM 0 HB ILE A 70 2.329 3.903 1.316 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.036 4.554 -0.568 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.654 5.630 0.669 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.494 2.748 -0.840 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.108 1.620 0.481 1.00 0.17 H new ATOM 0 HG23 ILE A 70 0.833 2.142 -0.644 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.546 6.218 -1.529 1.00 0.18 H new ATOM 0 HD12 ILE A 70 2.853 5.676 -0.450 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.225 4.582 -1.707 1.00 0.18 H new ATOM 1135 N CYS A 71 1.688 1.970 3.441 1.00 0.17 N ATOM 1136 CA CYS A 71 2.130 0.751 4.118 1.00 0.18 C ATOM 1137 C CYS A 71 0.975 0.153 4.904 1.00 0.17 C ATOM 1138 O CYS A 71 0.811 -1.063 4.966 1.00 0.17 O ATOM 1139 CB CYS A 71 3.331 1.002 5.041 1.00 0.21 C ATOM 1140 SG CYS A 71 2.963 1.777 6.633 1.00 1.10 S ATOM 0 H CYS A 71 2.152 2.825 3.748 1.00 0.17 H new ATOM 0 HA CYS A 71 2.457 0.047 3.353 1.00 0.18 H new ATOM 0 HB2 CYS A 71 3.824 0.048 5.230 1.00 0.21 H new ATOM 0 HB3 CYS A 71 4.046 1.631 4.510 1.00 0.21 H new ATOM 0 HG CYS A 71 2.114 2.746 6.458 1.00 1.10 H new ATOM 1146 N GLN A 72 0.166 1.028 5.481 1.00 0.18 N ATOM 1147 CA GLN A 72 -1.042 0.616 6.185 1.00 0.19 C ATOM 1148 C GLN A 72 -2.017 -0.054 5.221 1.00 0.17 C ATOM 1149 O GLN A 72 -2.782 -0.937 5.604 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.709 1.816 6.851 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.839 2.495 7.895 1.00 0.28 C ATOM 1152 CD GLN A 72 -0.456 1.562 9.025 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -1.296 1.493 10.042 1.00 1.82 O flip ATOM 1154 NE2 GLN A 72 0.579 0.901 8.981 1.00 1.56 N flip ATOM 0 H GLN A 72 0.325 2.036 5.476 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.761 -0.101 6.957 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -1.977 2.544 6.085 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.638 1.491 7.320 1.00 0.22 H new ATOM 0 HG2 GLN A 72 0.065 2.875 7.419 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -1.370 3.355 8.302 1.00 0.28 H new ATOM 0 HE21 GLN A 72 1.202 0.982 8.178 1.00 1.56 H new ATOM 0 HE22 GLN A 72 0.815 0.271 9.748 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.972 0.375 3.968 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.796 -0.206 2.922 1.00 0.15 C ATOM 1165 C PHE A 73 -2.278 -1.591 2.537 1.00 0.15 C ATOM 1166 O PHE A 73 -3.048 -2.548 2.469 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.820 0.725 1.706 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.592 0.204 0.529 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.935 -0.133 -0.635 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.968 0.065 0.582 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.630 -0.600 -1.733 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.670 -0.404 -0.512 1.00 0.17 C ATOM 1173 CZ PHE A 73 -5.000 -0.735 -1.670 1.00 0.15 C ATOM 0 H PHE A 73 -1.366 1.132 3.650 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.814 -0.322 3.294 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.246 1.682 2.007 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.794 0.917 1.393 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.861 -0.030 -0.689 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.498 0.325 1.486 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.101 -0.859 -2.639 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.743 -0.511 -0.460 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.548 -1.100 -2.527 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.969 -1.706 2.308 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.380 -3.001 1.965 1.00 0.19 C ATOM 1185 C VAL A 74 -0.487 -3.949 3.156 1.00 0.19 C ATOM 1186 O VAL A 74 -0.506 -5.166 2.997 1.00 0.21 O ATOM 1187 CB VAL A 74 1.103 -2.896 1.504 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.378 -1.556 0.852 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.093 -3.144 2.639 1.00 0.24 C ATOM 0 H VAL A 74 -0.306 -0.932 2.353 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.945 -3.391 1.119 1.00 0.19 H new ATOM 0 HB VAL A 74 1.251 -3.686 0.768 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.421 -1.511 0.540 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.733 -1.436 -0.019 1.00 0.28 H new ATOM 0 HG13 VAL A 74 1.177 -0.756 1.565 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.111 -3.058 2.259 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.936 -2.407 3.426 1.00 0.24 H new ATOM 0 HG23 VAL A 74 1.940 -4.145 3.043 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.569 -3.367 4.350 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.768 -4.117 5.576 1.00 0.23 C ATOM 1201 C LYS A 75 -2.039 -4.961 5.498 1.00 0.24 C ATOM 1202 O LYS A 75 -2.088 -6.072 6.025 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.824 -3.146 6.760 1.00 0.25 C ATOM 1204 CG LYS A 75 -1.334 -3.759 8.047 1.00 0.38 C ATOM 1205 CD LYS A 75 -1.473 -2.721 9.156 1.00 0.58 C ATOM 1206 CE LYS A 75 -0.124 -2.256 9.690 1.00 1.08 C ATOM 1207 NZ LYS A 75 0.539 -3.297 10.523 1.00 1.85 N ATOM 0 H LYS A 75 -0.498 -2.359 4.489 1.00 0.20 H new ATOM 0 HA LYS A 75 0.069 -4.801 5.717 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.175 -2.745 6.933 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.463 -2.304 6.494 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -2.301 -4.229 7.867 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.652 -4.546 8.370 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -2.027 -1.862 8.778 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -2.058 -3.143 9.973 1.00 0.58 H new ATOM 0 HE2 LYS A 75 0.525 -1.994 8.854 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -0.262 -1.352 10.283 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 1.403 -2.903 10.948 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -0.109 -3.603 11.277 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 0.787 -4.113 9.927 1.00 1.85 H new ATOM 1221 N GLU A 76 -3.054 -4.437 4.823 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.294 -5.171 4.621 1.00 0.24 C ATOM 1223 C GLU A 76 -4.054 -6.340 3.671 1.00 0.24 C ATOM 1224 O GLU A 76 -4.590 -7.431 3.852 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.375 -4.247 4.054 1.00 0.28 C ATOM 1226 CG GLU A 76 -5.611 -3.005 4.888 1.00 1.05 C ATOM 1227 CD GLU A 76 -6.106 -3.317 6.290 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -7.335 -3.358 6.494 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -5.267 -3.530 7.197 1.00 1.31 O ATOM 0 H GLU A 76 -3.042 -3.506 4.406 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.635 -5.555 5.582 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.093 -3.948 3.045 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -6.309 -4.802 3.972 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -4.683 -2.437 4.954 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.339 -2.369 4.385 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.217 -6.102 2.669 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.895 -7.115 1.674 1.00 0.22 C ATOM 1238 C ALA A 77 -2.124 -8.286 2.285 1.00 0.22 C ATOM 1239 O ALA A 77 -2.335 -9.437 1.905 1.00 0.24 O ATOM 1240 CB ALA A 77 -2.108 -6.499 0.529 1.00 0.24 C ATOM 0 H ALA A 77 -2.746 -5.209 2.524 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.835 -7.509 1.287 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.874 -7.268 -0.207 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.702 -5.715 0.059 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.182 -6.071 0.913 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.228 -7.997 3.227 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.481 -9.060 3.904 1.00 0.30 C ATOM 1248 C LYS A 78 -1.397 -9.841 4.843 1.00 0.31 C ATOM 1249 O LYS A 78 -1.110 -10.982 5.192 1.00 0.37 O ATOM 1250 CB LYS A 78 0.712 -8.514 4.710 1.00 0.42 C ATOM 1251 CG LYS A 78 1.286 -7.203 4.197 1.00 0.84 C ATOM 1252 CD LYS A 78 2.631 -6.858 4.832 1.00 0.72 C ATOM 1253 CE LYS A 78 2.671 -7.145 6.327 1.00 1.08 C ATOM 1254 NZ LYS A 78 1.600 -6.439 7.078 1.00 1.88 N ATOM 0 H LYS A 78 -1.002 -7.052 3.537 1.00 0.24 H new ATOM 0 HA LYS A 78 -0.094 -9.716 3.124 1.00 0.30 H new ATOM 0 HB2 LYS A 78 0.400 -8.376 5.745 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.503 -9.264 4.713 1.00 0.42 H new ATOM 0 HG2 LYS A 78 1.405 -7.262 3.115 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.578 -6.399 4.397 1.00 0.84 H new ATOM 0 HD2 LYS A 78 3.418 -7.427 4.337 1.00 0.72 H new ATOM 0 HD3 LYS A 78 2.847 -5.803 4.664 1.00 0.72 H new ATOM 0 HE2 LYS A 78 2.575 -8.219 6.489 1.00 1.08 H new ATOM 0 HE3 LYS A 78 3.642 -6.849 6.723 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 1.755 -6.560 8.099 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 1.620 -5.426 6.842 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 0.675 -6.836 6.819 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.502 -9.221 5.246 1.00 0.31 N ATOM 1269 CA ASP A 79 -3.419 -9.839 6.199 1.00 0.36 C ATOM 1270 C ASP A 79 -4.251 -10.916 5.527 1.00 0.34 C ATOM 1271 O ASP A 79 -4.384 -12.029 6.037 1.00 0.38 O ATOM 1272 CB ASP A 79 -4.342 -8.786 6.811 1.00 0.41 C ATOM 1273 CG ASP A 79 -5.280 -9.369 7.854 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -6.435 -9.700 7.507 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -4.868 -9.504 9.021 1.00 1.60 O ATOM 0 H ASP A 79 -2.784 -8.294 4.929 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.824 -10.297 6.989 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -3.739 -8.001 7.268 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -4.929 -8.318 6.020 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.801 -10.586 4.369 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.653 -11.523 3.640 1.00 0.32 C ATOM 1282 C ILE A 80 -4.802 -12.413 2.753 1.00 0.30 C ATOM 1283 O ILE A 80 -5.280 -13.374 2.144 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.749 -10.797 2.812 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.409 -10.687 1.314 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.989 -9.415 3.390 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.339 -9.674 0.975 1.00 0.22 C ATOM 0 H ILE A 80 -4.676 -9.682 3.913 1.00 0.30 H new ATOM 0 HA ILE A 80 -6.172 -12.141 4.372 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.652 -11.403 2.881 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -6.088 -11.666 0.957 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.317 -10.430 0.768 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.758 -8.906 2.809 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.317 -9.506 4.425 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -6.064 -8.839 3.352 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.170 -9.670 -0.102 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.661 -8.683 1.295 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.413 -9.938 1.487 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.527 -12.054 2.711 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.506 -12.786 1.975 1.00 0.29 C ATOM 1301 C LYS A 81 -2.737 -12.681 0.480 1.00 0.29 C ATOM 1302 O LYS A 81 -2.819 -13.680 -0.234 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.428 -14.253 2.419 1.00 0.36 C ATOM 1304 CG LYS A 81 -1.987 -14.432 3.864 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.619 -13.816 4.109 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.160 -14.022 5.543 1.00 0.53 C ATOM 1307 NZ LYS A 81 0.083 -15.454 5.850 1.00 1.47 N ATOM 0 H LYS A 81 -3.167 -11.232 3.196 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.545 -12.326 2.204 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.406 -14.716 2.287 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.733 -14.784 1.768 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.719 -13.972 4.528 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -1.958 -15.494 4.108 1.00 0.39 H new ATOM 0 HD2 LYS A 81 0.107 -14.259 3.427 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.655 -12.749 3.888 1.00 0.40 H new ATOM 0 HE2 LYS A 81 0.754 -13.454 5.716 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -0.914 -13.628 6.225 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 0.568 -15.535 6.767 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 -0.825 -15.959 5.893 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 0.677 -15.873 5.106 1.00 1.47 H new ATOM 1321 N GLY A 82 -2.831 -11.453 0.013 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.041 -11.221 -1.390 1.00 0.26 C ATOM 1323 C GLY A 82 -1.818 -10.678 -2.093 1.00 0.22 C ATOM 1324 O GLY A 82 -0.681 -11.033 -1.771 1.00 0.23 O ATOM 0 H GLY A 82 -2.765 -10.610 0.584 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.341 -12.155 -1.865 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -3.866 -10.520 -1.516 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.077 -9.853 -3.088 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.055 -9.203 -3.877 1.00 0.17 C ATOM 1330 C LYS A 83 -1.266 -7.701 -3.786 1.00 0.16 C ATOM 1331 O LYS A 83 -2.371 -7.253 -3.476 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.133 -9.651 -5.338 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.442 -10.976 -5.600 1.00 0.26 C ATOM 1334 CD LYS A 83 -1.165 -12.130 -4.933 1.00 0.30 C ATOM 1335 CE LYS A 83 -0.178 -13.155 -4.428 1.00 0.42 C ATOM 1336 NZ LYS A 83 -0.832 -14.272 -3.692 1.00 1.06 N ATOM 0 H LYS A 83 -3.026 -9.612 -3.375 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.071 -9.473 -3.494 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.180 -9.732 -5.630 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.684 -8.884 -5.970 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.390 -11.152 -6.674 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.584 -10.930 -5.234 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.768 -11.758 -4.104 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.850 -12.595 -5.642 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.382 -13.560 -5.271 1.00 0.42 H new ATOM 0 HE3 LYS A 83 0.543 -12.666 -3.772 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 -0.405 -15.175 -3.981 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 -0.700 -14.138 -2.669 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 -1.849 -14.284 -3.911 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.240 -6.923 -4.061 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.376 -5.478 -4.011 1.00 0.15 C ATOM 1352 C LEU A 84 -0.198 -4.878 -5.405 1.00 0.15 C ATOM 1353 O LEU A 84 0.744 -5.213 -6.116 1.00 0.17 O ATOM 1354 CB LEU A 84 0.634 -4.894 -3.019 1.00 0.16 C ATOM 1355 CG LEU A 84 0.384 -3.445 -2.582 1.00 0.16 C ATOM 1356 CD1 LEU A 84 0.919 -2.470 -3.618 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -1.103 -3.194 -2.333 1.00 0.15 C ATOM 0 H LEU A 84 0.688 -7.259 -4.319 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.378 -5.223 -3.666 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.646 -5.524 -2.130 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.627 -4.952 -3.465 1.00 0.16 H new ATOM 0 HG LEU A 84 0.918 -3.283 -1.645 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.731 -1.448 -3.288 1.00 0.17 H new ATOM 0 HD12 LEU A 84 1.992 -2.620 -3.739 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.419 -2.641 -4.571 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.251 -2.159 -2.025 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.662 -3.383 -3.249 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.458 -3.861 -1.547 1.00 0.15 H new ATOM 1369 N THR A 85 -1.129 -4.016 -5.793 1.00 0.16 N ATOM 1370 CA THR A 85 -1.073 -3.321 -7.071 1.00 0.17 C ATOM 1371 C THR A 85 -0.950 -1.813 -6.852 1.00 0.17 C ATOM 1372 O THR A 85 -1.757 -1.209 -6.148 1.00 0.21 O ATOM 1373 CB THR A 85 -2.342 -3.606 -7.899 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.480 -5.013 -8.109 1.00 0.20 O ATOM 1375 CG2 THR A 85 -2.315 -2.883 -9.242 1.00 0.20 C ATOM 0 H THR A 85 -1.945 -3.779 -5.229 1.00 0.16 H new ATOM 0 HA THR A 85 -0.199 -3.684 -7.612 1.00 0.17 H new ATOM 0 HB THR A 85 -3.197 -3.232 -7.336 1.00 0.19 H new ATOM 0 HG1 THR A 85 -3.289 -5.188 -8.634 1.00 0.20 H new ATOM 0 HG21 THR A 85 -3.226 -3.109 -9.795 1.00 0.20 H new ATOM 0 HG22 THR A 85 -2.249 -1.808 -9.075 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.450 -3.214 -9.816 1.00 0.20 H new ATOM 1383 N LEU A 86 0.067 -1.213 -7.438 1.00 0.16 N ATOM 1384 CA LEU A 86 0.237 0.231 -7.368 1.00 0.18 C ATOM 1385 C LEU A 86 -0.334 0.894 -8.614 1.00 0.19 C ATOM 1386 O LEU A 86 0.253 0.810 -9.687 1.00 0.21 O ATOM 1387 CB LEU A 86 1.714 0.585 -7.240 1.00 0.22 C ATOM 1388 CG LEU A 86 2.024 2.074 -7.373 1.00 0.53 C ATOM 1389 CD1 LEU A 86 1.750 2.808 -6.071 1.00 1.45 C ATOM 1390 CD2 LEU A 86 3.454 2.271 -7.844 1.00 1.51 C ATOM 0 H LEU A 86 0.790 -1.700 -7.968 1.00 0.16 H new ATOM 0 HA LEU A 86 -0.298 0.595 -6.491 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.075 0.237 -6.272 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.272 0.041 -8.003 1.00 0.22 H new ATOM 0 HG LEU A 86 1.362 2.504 -8.125 1.00 0.53 H new ATOM 0 HD11 LEU A 86 1.979 3.866 -6.195 1.00 1.45 H new ATOM 0 HD12 LEU A 86 0.700 2.693 -5.803 1.00 1.45 H new ATOM 0 HD13 LEU A 86 2.374 2.392 -5.280 1.00 1.45 H new ATOM 0 HD21 LEU A 86 3.663 3.337 -7.935 1.00 1.51 H new ATOM 0 HD22 LEU A 86 4.139 1.827 -7.122 1.00 1.51 H new ATOM 0 HD23 LEU A 86 3.587 1.791 -8.813 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.474 1.542 -8.472 1.00 0.20 N ATOM 1403 CA LEU A 87 -2.097 2.249 -9.581 1.00 0.23 C ATOM 1404 C LEU A 87 -1.356 3.546 -9.873 1.00 0.26 C ATOM 1405 O LEU A 87 -0.719 4.123 -8.991 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.559 2.567 -9.270 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.456 1.365 -8.991 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.814 1.838 -8.500 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.607 0.506 -10.236 1.00 0.24 C ATOM 0 H LEU A 87 -1.992 1.595 -7.595 1.00 0.20 H new ATOM 0 HA LEU A 87 -2.050 1.600 -10.455 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.591 3.229 -8.404 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.977 3.121 -10.110 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.993 0.755 -8.215 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.450 0.975 -8.302 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.689 2.414 -7.583 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -6.278 2.464 -9.262 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -5.250 -0.346 -10.015 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -5.052 1.099 -11.035 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.627 0.148 -10.552 1.00 0.24 H new ATOM 1421 N GLN A 88 -1.413 3.985 -11.115 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.893 5.290 -11.468 1.00 0.41 C ATOM 1423 C GLN A 88 -2.014 6.119 -12.064 1.00 0.47 C ATOM 1424 O GLN A 88 -2.756 5.637 -12.923 1.00 0.52 O ATOM 1425 CB GLN A 88 0.254 5.167 -12.474 1.00 0.50 C ATOM 1426 CG GLN A 88 0.802 6.508 -12.940 1.00 0.73 C ATOM 1427 CD GLN A 88 1.882 6.370 -13.990 1.00 1.23 C ATOM 1428 OE1 GLN A 88 2.622 5.386 -14.017 1.00 1.93 O ATOM 1429 NE2 GLN A 88 1.983 7.357 -14.862 1.00 1.78 N ATOM 0 H GLN A 88 -1.812 3.460 -11.893 1.00 0.34 H new ATOM 0 HA GLN A 88 -0.505 5.773 -10.571 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.062 4.591 -12.023 1.00 0.50 H new ATOM 0 HB3 GLN A 88 -0.093 4.605 -13.341 1.00 0.50 H new ATOM 0 HG2 GLN A 88 -0.014 7.108 -13.342 1.00 0.73 H new ATOM 0 HG3 GLN A 88 1.203 7.049 -12.083 1.00 0.73 H new ATOM 0 HE21 GLN A 88 1.350 8.155 -14.805 1.00 1.78 H new ATOM 0 HE22 GLN A 88 2.694 7.321 -15.593 1.00 1.78 H new ATOM 1438 N HIS A 89 -2.101 7.367 -11.627 1.00 0.50 N ATOM 1439 CA HIS A 89 -3.178 8.272 -12.022 1.00 0.58 C ATOM 1440 C HIS A 89 -3.164 9.488 -11.109 1.00 0.56 C ATOM 1441 O HIS A 89 -2.917 10.609 -11.552 1.00 0.58 O ATOM 1442 CB HIS A 89 -4.548 7.582 -11.931 1.00 0.66 C ATOM 1443 CG HIS A 89 -5.666 8.343 -12.583 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -6.995 8.077 -12.342 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -5.644 9.347 -13.490 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -7.741 8.885 -13.072 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -6.947 9.666 -13.776 1.00 1.67 N ATOM 0 H HIS A 89 -1.426 7.785 -10.986 1.00 0.50 H new ATOM 0 HA HIS A 89 -3.016 8.571 -13.058 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -4.477 6.597 -12.392 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -4.794 7.426 -10.881 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -4.764 9.811 -13.911 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -8.821 8.903 -13.089 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -7.252 10.390 -14.427 1.00 1.67 H new ATOM 1456 N PHE A 90 -3.416 9.253 -9.825 1.00 0.58 N ATOM 1457 CA PHE A 90 -3.429 10.322 -8.845 1.00 0.61 C ATOM 1458 C PHE A 90 -2.023 10.863 -8.629 1.00 0.61 C ATOM 1459 O PHE A 90 -1.829 12.063 -8.454 1.00 0.60 O ATOM 1460 CB PHE A 90 -3.998 9.806 -7.531 1.00 0.74 C ATOM 1461 CG PHE A 90 -4.216 10.882 -6.506 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -3.298 11.090 -5.491 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -5.342 11.686 -6.561 1.00 2.87 C ATOM 1464 CE1 PHE A 90 -3.500 12.079 -4.552 1.00 2.57 C ATOM 1465 CE2 PHE A 90 -5.548 12.678 -5.626 1.00 3.95 C ATOM 1466 CZ PHE A 90 -4.625 12.875 -4.620 1.00 3.79 C ATOM 0 H PHE A 90 -3.614 8.328 -9.443 1.00 0.58 H new ATOM 0 HA PHE A 90 -4.057 11.132 -9.215 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -4.946 9.305 -7.727 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -3.321 9.057 -7.121 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -2.415 10.471 -5.434 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -6.068 11.534 -7.346 1.00 2.87 H new ATOM 0 HE1 PHE A 90 -2.778 12.231 -3.763 1.00 2.57 H new ATOM 0 HE2 PHE A 90 -6.430 13.299 -5.681 1.00 3.95 H new ATOM 0 HZ PHE A 90 -4.783 13.652 -3.886 1.00 3.79 H new ATOM 1476 N ASP A 91 -1.043 9.970 -8.673 1.00 0.75 N ATOM 1477 CA ASP A 91 0.357 10.341 -8.480 1.00 0.87 C ATOM 1478 C ASP A 91 0.846 11.205 -9.637 1.00 0.92 C ATOM 1479 O ASP A 91 1.857 11.894 -9.532 1.00 1.01 O ATOM 1480 CB ASP A 91 1.231 9.085 -8.348 1.00 1.07 C ATOM 1481 CG ASP A 91 1.233 8.227 -9.600 1.00 1.65 C ATOM 1482 OD1 ASP A 91 2.329 7.791 -10.027 1.00 2.22 O ATOM 1483 OD2 ASP A 91 0.140 7.983 -10.161 1.00 1.88 O ATOM 0 H ASP A 91 -1.192 8.975 -8.842 1.00 0.75 H new ATOM 0 HA ASP A 91 0.435 10.919 -7.559 1.00 0.87 H new ATOM 0 HB2 ASP A 91 2.254 9.384 -8.118 1.00 1.07 H new ATOM 0 HB3 ASP A 91 0.876 8.489 -7.507 1.00 1.07 H new ATOM 1488 N SER A 92 0.107 11.177 -10.736 1.00 0.96 N ATOM 1489 CA SER A 92 0.421 11.995 -11.894 1.00 1.15 C ATOM 1490 C SER A 92 -0.073 13.428 -11.687 1.00 1.10 C ATOM 1491 O SER A 92 0.350 14.350 -12.383 1.00 1.33 O ATOM 1492 CB SER A 92 -0.228 11.392 -13.137 1.00 1.33 C ATOM 1493 OG SER A 92 0.039 10.000 -13.231 1.00 1.78 O ATOM 0 H SER A 92 -0.720 10.591 -10.849 1.00 0.96 H new ATOM 0 HA SER A 92 1.503 12.019 -12.027 1.00 1.15 H new ATOM 0 HB2 SER A 92 -1.305 11.557 -13.105 1.00 1.33 H new ATOM 0 HB3 SER A 92 0.146 11.898 -14.027 1.00 1.33 H new ATOM 0 HG SER A 92 -0.389 9.638 -14.035 1.00 1.78 H new ATOM 1499 N SER A 93 -0.964 13.606 -10.717 1.00 0.88 N ATOM 1500 CA SER A 93 -1.556 14.908 -10.446 1.00 0.93 C ATOM 1501 C SER A 93 -1.092 15.436 -9.084 1.00 0.83 C ATOM 1502 O SER A 93 -0.958 16.645 -8.883 1.00 0.96 O ATOM 1503 CB SER A 93 -3.085 14.793 -10.491 1.00 0.96 C ATOM 1504 OG SER A 93 -3.712 16.065 -10.433 1.00 1.63 O ATOM 0 H SER A 93 -1.292 12.860 -10.104 1.00 0.88 H new ATOM 0 HA SER A 93 -1.231 15.616 -11.208 1.00 0.93 H new ATOM 0 HB2 SER A 93 -3.384 14.282 -11.406 1.00 0.96 H new ATOM 0 HB3 SER A 93 -3.428 14.181 -9.657 1.00 0.96 H new ATOM 0 HG SER A 93 -4.685 15.952 -10.466 1.00 1.63 H new ATOM 1510 N PHE A 94 -0.846 14.518 -8.158 1.00 0.65 N ATOM 1511 CA PHE A 94 -0.393 14.865 -6.818 1.00 0.62 C ATOM 1512 C PHE A 94 1.131 14.779 -6.762 1.00 0.55 C ATOM 1513 O PHE A 94 1.728 13.892 -7.371 1.00 0.56 O ATOM 1514 CB PHE A 94 -1.023 13.908 -5.802 1.00 0.63 C ATOM 1515 CG PHE A 94 -1.108 14.452 -4.402 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -0.248 13.995 -3.417 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -2.036 15.428 -4.074 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.311 14.498 -2.131 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.104 15.932 -2.788 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.293 15.447 -1.812 1.00 2.62 C ATOM 0 H PHE A 94 -0.954 13.516 -8.314 1.00 0.65 H new ATOM 0 HA PHE A 94 -0.698 15.883 -6.575 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -2.027 13.649 -6.139 1.00 0.63 H new ATOM 0 HB3 PHE A 94 -0.445 12.984 -5.785 1.00 0.63 H new ATOM 0 HD1 PHE A 94 0.481 13.236 -3.657 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.712 15.798 -4.830 1.00 1.16 H new ATOM 0 HE1 PHE A 94 0.389 14.164 -1.380 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -2.808 16.718 -2.558 1.00 1.80 H new ATOM 0 HZ PHE A 94 -1.404 15.791 -0.794 1.00 2.62 H new ATOM 1530 N PRO A 95 1.786 15.700 -6.040 1.00 0.57 N ATOM 1531 CA PRO A 95 3.248 15.797 -6.024 1.00 0.56 C ATOM 1532 C PRO A 95 3.955 14.631 -5.328 1.00 0.50 C ATOM 1533 O PRO A 95 5.183 14.566 -5.345 1.00 0.68 O ATOM 1534 CB PRO A 95 3.515 17.103 -5.273 1.00 0.61 C ATOM 1535 CG PRO A 95 2.312 17.304 -4.423 1.00 0.62 C ATOM 1536 CD PRO A 95 1.158 16.744 -5.207 1.00 0.69 C ATOM 0 HA PRO A 95 3.641 15.769 -7.040 1.00 0.56 H new ATOM 0 HB2 PRO A 95 4.420 17.034 -4.669 1.00 0.61 H new ATOM 0 HB3 PRO A 95 3.655 17.935 -5.963 1.00 0.61 H new ATOM 0 HG2 PRO A 95 2.419 16.793 -3.466 1.00 0.62 H new ATOM 0 HG3 PRO A 95 2.160 18.361 -4.204 1.00 0.62 H new ATOM 0 HD2 PRO A 95 0.391 16.329 -4.553 1.00 0.69 H new ATOM 0 HD3 PRO A 95 0.677 17.509 -5.816 1.00 0.69 H new ATOM 1544 N ILE A 96 3.212 13.709 -4.726 1.00 0.36 N ATOM 1545 CA ILE A 96 3.850 12.550 -4.120 1.00 0.29 C ATOM 1546 C ILE A 96 3.914 11.407 -5.115 1.00 0.31 C ATOM 1547 O ILE A 96 2.902 10.796 -5.455 1.00 0.34 O ATOM 1548 CB ILE A 96 3.166 12.054 -2.834 1.00 0.23 C ATOM 1549 CG1 ILE A 96 2.910 13.212 -1.880 1.00 0.29 C ATOM 1550 CG2 ILE A 96 4.062 11.028 -2.169 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.487 12.783 -0.490 1.00 0.24 C ATOM 0 H ILE A 96 2.196 13.739 -4.646 1.00 0.36 H new ATOM 0 HA ILE A 96 4.849 12.882 -3.839 1.00 0.29 H new ATOM 0 HB ILE A 96 2.206 11.604 -3.088 1.00 0.23 H new ATOM 0 HG12 ILE A 96 3.816 13.813 -1.804 1.00 0.29 H new ATOM 0 HG13 ILE A 96 2.136 13.853 -2.302 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.588 10.669 -1.256 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.223 10.191 -2.848 1.00 0.26 H new ATOM 0 HG23 ILE A 96 5.020 11.486 -1.924 1.00 0.26 H new ATOM 0 HD11 ILE A 96 2.324 13.665 0.129 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.563 12.208 -0.552 1.00 0.24 H new ATOM 0 HD13 ILE A 96 3.269 12.167 -0.046 1.00 0.24 H new ATOM 1563 N LYS A 97 5.116 11.145 -5.585 1.00 0.35 N ATOM 1564 CA LYS A 97 5.360 10.095 -6.555 1.00 0.38 C ATOM 1565 C LYS A 97 6.415 9.158 -5.996 1.00 0.35 C ATOM 1566 O LYS A 97 7.546 9.576 -5.730 1.00 0.44 O ATOM 1567 CB LYS A 97 5.812 10.710 -7.879 1.00 0.50 C ATOM 1568 CG LYS A 97 4.821 11.727 -8.424 1.00 0.75 C ATOM 1569 CD LYS A 97 5.389 12.502 -9.599 1.00 0.78 C ATOM 1570 CE LYS A 97 4.398 13.534 -10.115 1.00 0.91 C ATOM 1571 NZ LYS A 97 3.902 14.421 -9.034 1.00 1.38 N ATOM 0 H LYS A 97 5.954 11.655 -5.305 1.00 0.35 H new ATOM 0 HA LYS A 97 4.447 9.530 -6.745 1.00 0.38 H new ATOM 0 HB2 LYS A 97 6.780 11.191 -7.739 1.00 0.50 H new ATOM 0 HB3 LYS A 97 5.953 9.917 -8.613 1.00 0.50 H new ATOM 0 HG2 LYS A 97 3.910 11.215 -8.734 1.00 0.75 H new ATOM 0 HG3 LYS A 97 4.542 12.422 -7.632 1.00 0.75 H new ATOM 0 HD2 LYS A 97 6.311 13.000 -9.297 1.00 0.78 H new ATOM 0 HD3 LYS A 97 5.648 11.811 -10.401 1.00 0.78 H new ATOM 0 HE2 LYS A 97 4.873 14.137 -10.889 1.00 0.91 H new ATOM 0 HE3 LYS A 97 3.555 13.025 -10.581 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 3.609 15.333 -9.440 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 3.089 13.974 -8.564 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 4.660 14.579 -8.339 1.00 1.38 H new ATOM 1585 N VAL A 98 6.062 7.897 -5.808 1.00 0.30 N ATOM 1586 CA VAL A 98 6.911 6.989 -5.051 1.00 0.26 C ATOM 1587 C VAL A 98 6.988 5.604 -5.681 1.00 0.28 C ATOM 1588 O VAL A 98 6.237 5.284 -6.602 1.00 0.33 O ATOM 1589 CB VAL A 98 6.403 6.851 -3.602 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.354 8.209 -2.925 1.00 0.25 C ATOM 1591 CG2 VAL A 98 5.034 6.185 -3.571 1.00 0.21 C ATOM 0 H VAL A 98 5.202 7.481 -6.165 1.00 0.30 H new ATOM 0 HA VAL A 98 7.911 7.423 -5.058 1.00 0.26 H new ATOM 0 HB VAL A 98 7.100 6.218 -3.053 1.00 0.21 H new ATOM 0 HG11 VAL A 98 5.993 8.093 -1.903 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.353 8.644 -2.910 1.00 0.25 H new ATOM 0 HG13 VAL A 98 5.680 8.866 -3.475 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.695 6.098 -2.539 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.323 6.788 -4.137 1.00 0.21 H new ATOM 0 HG23 VAL A 98 5.102 5.192 -4.015 1.00 0.21 H new ATOM 1601 N ASP A 99 7.925 4.809 -5.188 1.00 0.28 N ATOM 1602 CA ASP A 99 8.063 3.418 -5.594 1.00 0.32 C ATOM 1603 C ASP A 99 8.069 2.503 -4.375 1.00 0.23 C ATOM 1604 O ASP A 99 8.784 2.741 -3.400 1.00 0.27 O ATOM 1605 CB ASP A 99 9.335 3.191 -6.409 1.00 0.51 C ATOM 1606 CG ASP A 99 9.232 3.736 -7.815 1.00 0.63 C ATOM 1607 OD1 ASP A 99 8.589 3.081 -8.665 1.00 1.11 O ATOM 1608 OD2 ASP A 99 9.786 4.823 -8.084 1.00 0.98 O ATOM 0 H ASP A 99 8.611 5.109 -4.496 1.00 0.28 H new ATOM 0 HA ASP A 99 7.206 3.179 -6.224 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.176 3.663 -5.901 1.00 0.51 H new ATOM 0 HB3 ASP A 99 9.548 2.123 -6.452 1.00 0.51 H new ATOM 1613 N LEU A 100 7.268 1.460 -4.442 1.00 0.19 N ATOM 1614 CA LEU A 100 7.113 0.523 -3.347 1.00 0.13 C ATOM 1615 C LEU A 100 8.148 -0.590 -3.456 1.00 0.13 C ATOM 1616 O LEU A 100 8.413 -1.083 -4.548 1.00 0.16 O ATOM 1617 CB LEU A 100 5.702 -0.075 -3.382 1.00 0.18 C ATOM 1618 CG LEU A 100 4.552 0.897 -3.082 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.465 2.007 -4.119 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.233 0.147 -3.021 1.00 0.35 C ATOM 0 H LEU A 100 6.703 1.237 -5.261 1.00 0.19 H new ATOM 0 HA LEU A 100 7.262 1.049 -2.404 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.537 -0.509 -4.368 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.657 -0.893 -2.663 1.00 0.18 H new ATOM 0 HG LEU A 100 4.756 1.356 -2.115 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.639 2.673 -3.871 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.397 2.572 -4.126 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.297 1.572 -5.104 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.426 0.848 -2.808 1.00 0.35 H new ATOM 0 HD22 LEU A 100 3.047 -0.340 -3.978 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.278 -0.605 -2.233 1.00 0.35 H new ATOM 1632 N TYR A 101 8.741 -0.975 -2.335 1.00 0.13 N ATOM 1633 CA TYR A 101 9.723 -2.057 -2.333 1.00 0.16 C ATOM 1634 C TYR A 101 9.353 -3.127 -1.321 1.00 0.16 C ATOM 1635 O TYR A 101 8.927 -2.822 -0.205 1.00 0.19 O ATOM 1636 CB TYR A 101 11.147 -1.536 -2.060 1.00 0.19 C ATOM 1637 CG TYR A 101 11.813 -0.925 -3.275 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.217 0.111 -3.979 1.00 0.20 C ATOM 1639 CD2 TYR A 101 13.040 -1.397 -3.726 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.818 0.658 -5.093 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.649 -0.852 -4.838 1.00 0.30 C ATOM 1642 CZ TYR A 101 13.033 0.174 -5.518 1.00 0.28 C ATOM 1643 OH TYR A 101 13.630 0.720 -6.632 1.00 0.33 O ATOM 0 H TYR A 101 8.563 -0.560 -1.420 1.00 0.13 H new ATOM 0 HA TYR A 101 9.713 -2.499 -3.329 1.00 0.16 H new ATOM 0 HB2 TYR A 101 11.106 -0.791 -1.265 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.762 -2.358 -1.694 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.264 0.497 -3.648 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.525 -2.204 -3.197 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.337 1.463 -5.629 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.604 -1.229 -5.173 1.00 0.30 H new ATOM 0 HH TYR A 101 13.898 0.003 -7.244 1.00 0.33 H new ATOM 1653 N PHE A 102 9.505 -4.381 -1.729 1.00 0.16 N ATOM 1654 CA PHE A 102 9.264 -5.510 -0.849 1.00 0.16 C ATOM 1655 C PHE A 102 10.576 -6.193 -0.488 1.00 0.15 C ATOM 1656 O PHE A 102 11.554 -6.130 -1.234 1.00 0.19 O ATOM 1657 CB PHE A 102 8.342 -6.549 -1.502 1.00 0.20 C ATOM 1658 CG PHE A 102 6.884 -6.197 -1.504 1.00 0.16 C ATOM 1659 CD1 PHE A 102 6.376 -5.324 -0.570 1.00 0.24 C ATOM 1660 CD2 PHE A 102 6.019 -6.767 -2.423 1.00 0.25 C ATOM 1661 CE1 PHE A 102 5.036 -5.017 -0.541 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.672 -6.461 -2.407 1.00 0.34 C ATOM 1663 CZ PHE A 102 4.178 -5.583 -1.461 1.00 0.31 C ATOM 0 H PHE A 102 9.796 -4.639 -2.672 1.00 0.16 H new ATOM 0 HA PHE A 102 8.782 -5.118 0.047 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.664 -6.701 -2.532 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.469 -7.500 -0.985 1.00 0.20 H new ATOM 0 HD1 PHE A 102 7.040 -4.873 0.152 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.401 -7.458 -3.160 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.655 -4.332 0.202 1.00 0.27 H new ATOM 0 HE2 PHE A 102 4.007 -6.907 -3.132 1.00 0.34 H new ATOM 0 HZ PHE A 102 3.126 -5.341 -1.442 1.00 0.31 H new ATOM 1673 N LEU A 103 10.571 -6.853 0.652 1.00 0.16 N ATOM 1674 CA LEU A 103 11.712 -7.613 1.128 1.00 0.17 C ATOM 1675 C LEU A 103 11.326 -9.090 1.167 1.00 0.18 C ATOM 1676 O LEU A 103 10.371 -9.458 1.843 1.00 0.19 O ATOM 1677 CB LEU A 103 12.085 -7.114 2.536 1.00 0.18 C ATOM 1678 CG LEU A 103 13.516 -7.386 3.030 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.815 -8.872 3.124 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.543 -6.702 2.139 1.00 0.25 C ATOM 0 H LEU A 103 9.768 -6.878 1.281 1.00 0.16 H new ATOM 0 HA LEU A 103 12.570 -7.484 0.469 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.918 -6.037 2.567 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.392 -7.565 3.247 1.00 0.18 H new ATOM 0 HG LEU A 103 13.586 -6.967 4.034 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.836 -9.016 3.477 1.00 0.22 H new ATOM 0 HD12 LEU A 103 13.121 -9.339 3.822 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.703 -9.329 2.141 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.545 -6.912 2.512 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.449 -7.078 1.120 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.371 -5.626 2.146 1.00 0.25 H new ATOM 1692 N LYS A 104 12.031 -9.923 0.419 1.00 0.23 N ATOM 1693 CA LYS A 104 11.775 -11.356 0.429 1.00 0.29 C ATOM 1694 C LYS A 104 13.019 -12.119 0.850 1.00 0.33 C ATOM 1695 O LYS A 104 13.928 -12.319 0.045 1.00 0.39 O ATOM 1696 CB LYS A 104 11.332 -11.849 -0.941 1.00 0.42 C ATOM 1697 CG LYS A 104 9.941 -11.404 -1.336 1.00 0.60 C ATOM 1698 CD LYS A 104 9.950 -10.039 -2.001 1.00 0.64 C ATOM 1699 CE LYS A 104 8.659 -9.792 -2.762 1.00 0.66 C ATOM 1700 NZ LYS A 104 8.366 -10.894 -3.717 1.00 1.22 N ATOM 0 H LYS A 104 12.785 -9.633 -0.203 1.00 0.23 H new ATOM 0 HA LYS A 104 10.974 -11.536 1.146 1.00 0.29 H new ATOM 0 HB2 LYS A 104 12.041 -11.496 -1.689 1.00 0.42 H new ATOM 0 HB3 LYS A 104 11.371 -12.938 -0.954 1.00 0.42 H new ATOM 0 HG2 LYS A 104 9.505 -12.136 -2.016 1.00 0.60 H new ATOM 0 HG3 LYS A 104 9.305 -11.372 -0.451 1.00 0.60 H new ATOM 0 HD2 LYS A 104 10.084 -9.264 -1.246 1.00 0.64 H new ATOM 0 HD3 LYS A 104 10.797 -9.969 -2.684 1.00 0.64 H new ATOM 0 HE2 LYS A 104 7.834 -9.692 -2.057 1.00 0.66 H new ATOM 0 HE3 LYS A 104 8.731 -8.849 -3.304 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 7.753 -10.540 -4.479 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 9.256 -11.246 -4.124 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 7.884 -11.668 -3.217 1.00 1.22 H new ATOM 1714 N GLY A 105 13.062 -12.553 2.099 1.00 0.34 N ATOM 1715 CA GLY A 105 14.246 -13.214 2.604 1.00 0.42 C ATOM 1716 C GLY A 105 15.386 -12.232 2.735 1.00 0.40 C ATOM 1717 O GLY A 105 15.478 -11.502 3.720 1.00 0.40 O ATOM 0 H GLY A 105 12.300 -12.460 2.771 1.00 0.34 H new ATOM 0 HA2 GLY A 105 14.033 -13.664 3.574 1.00 0.42 H new ATOM 0 HA3 GLY A 105 14.531 -14.024 1.933 1.00 0.42 H new ATOM 1721 N SER A 106 16.254 -12.213 1.742 1.00 0.40 N ATOM 1722 CA SER A 106 17.294 -11.205 1.656 1.00 0.41 C ATOM 1723 C SER A 106 17.160 -10.429 0.346 1.00 0.37 C ATOM 1724 O SER A 106 17.884 -9.472 0.099 1.00 0.41 O ATOM 1725 CB SER A 106 18.670 -11.862 1.747 1.00 0.52 C ATOM 1726 OG SER A 106 18.787 -12.631 2.934 1.00 1.31 O ATOM 0 H SER A 106 16.259 -12.889 0.978 1.00 0.40 H new ATOM 0 HA SER A 106 17.185 -10.509 2.488 1.00 0.41 H new ATOM 0 HB2 SER A 106 18.831 -12.500 0.878 1.00 0.52 H new ATOM 0 HB3 SER A 106 19.445 -11.096 1.727 1.00 0.52 H new ATOM 0 HG SER A 106 19.675 -13.044 2.970 1.00 1.31 H new ATOM 1732 N LYS A 107 16.205 -10.841 -0.474 1.00 0.36 N ATOM 1733 CA LYS A 107 16.026 -10.275 -1.805 1.00 0.37 C ATOM 1734 C LYS A 107 15.065 -9.090 -1.778 1.00 0.32 C ATOM 1735 O LYS A 107 13.913 -9.227 -1.370 1.00 0.39 O ATOM 1736 CB LYS A 107 15.486 -11.351 -2.752 1.00 0.47 C ATOM 1737 CG LYS A 107 15.314 -10.891 -4.194 1.00 0.65 C ATOM 1738 CD LYS A 107 16.651 -10.649 -4.880 1.00 0.95 C ATOM 1739 CE LYS A 107 17.466 -11.929 -4.999 1.00 1.57 C ATOM 1740 NZ LYS A 107 16.742 -12.990 -5.753 1.00 2.27 N ATOM 0 H LYS A 107 15.535 -11.573 -0.239 1.00 0.36 H new ATOM 0 HA LYS A 107 16.995 -9.921 -2.157 1.00 0.37 H new ATOM 0 HB2 LYS A 107 16.162 -12.206 -2.734 1.00 0.47 H new ATOM 0 HB3 LYS A 107 14.523 -11.698 -2.377 1.00 0.47 H new ATOM 0 HG2 LYS A 107 14.753 -11.642 -4.749 1.00 0.65 H new ATOM 0 HG3 LYS A 107 14.725 -9.974 -4.214 1.00 0.65 H new ATOM 0 HD2 LYS A 107 16.480 -10.234 -5.873 1.00 0.95 H new ATOM 0 HD3 LYS A 107 17.219 -9.908 -4.318 1.00 0.95 H new ATOM 0 HE2 LYS A 107 18.410 -11.711 -5.498 1.00 1.57 H new ATOM 0 HE3 LYS A 107 17.710 -12.296 -4.002 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 17.404 -13.753 -6.000 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 15.976 -13.373 -5.164 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 16.340 -12.585 -6.623 1.00 2.27 H new ATOM 1754 N VAL A 108 15.548 -7.934 -2.202 1.00 0.24 N ATOM 1755 CA VAL A 108 14.700 -6.759 -2.346 1.00 0.22 C ATOM 1756 C VAL A 108 14.048 -6.749 -3.722 1.00 0.23 C ATOM 1757 O VAL A 108 14.719 -6.930 -4.738 1.00 0.30 O ATOM 1758 CB VAL A 108 15.497 -5.453 -2.167 1.00 0.26 C ATOM 1759 CG1 VAL A 108 14.563 -4.252 -2.175 1.00 0.74 C ATOM 1760 CG2 VAL A 108 16.306 -5.495 -0.887 1.00 0.79 C ATOM 0 H VAL A 108 16.525 -7.782 -2.453 1.00 0.24 H new ATOM 0 HA VAL A 108 13.940 -6.813 -1.567 1.00 0.22 H new ATOM 0 HB VAL A 108 16.188 -5.353 -3.004 1.00 0.26 H new ATOM 0 HG11 VAL A 108 15.144 -3.339 -2.047 1.00 0.74 H new ATOM 0 HG12 VAL A 108 14.029 -4.213 -3.124 1.00 0.74 H new ATOM 0 HG13 VAL A 108 13.846 -4.343 -1.359 1.00 0.74 H new ATOM 0 HG21 VAL A 108 16.862 -4.564 -0.778 1.00 0.79 H new ATOM 0 HG22 VAL A 108 15.635 -5.619 -0.037 1.00 0.79 H new ATOM 0 HG23 VAL A 108 17.003 -6.332 -0.924 1.00 0.79 H new ATOM 1770 N MET A 109 12.745 -6.538 -3.747 1.00 0.22 N ATOM 1771 CA MET A 109 11.997 -6.499 -4.998 1.00 0.27 C ATOM 1772 C MET A 109 11.042 -5.315 -5.027 1.00 0.24 C ATOM 1773 O MET A 109 10.123 -5.236 -4.215 1.00 0.25 O ATOM 1774 CB MET A 109 11.209 -7.793 -5.198 1.00 0.36 C ATOM 1775 CG MET A 109 12.025 -8.920 -5.801 1.00 0.44 C ATOM 1776 SD MET A 109 12.598 -8.540 -7.469 1.00 1.47 S ATOM 1777 CE MET A 109 13.349 -10.099 -7.923 1.00 1.85 C ATOM 0 H MET A 109 12.177 -6.390 -2.913 1.00 0.22 H new ATOM 0 HA MET A 109 12.718 -6.390 -5.808 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.813 -8.118 -4.236 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.354 -7.591 -5.843 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.884 -9.124 -5.162 1.00 0.44 H new ATOM 0 HG3 MET A 109 11.423 -9.828 -5.825 1.00 0.44 H new ATOM 0 HE1 MET A 109 13.753 -10.028 -8.933 1.00 1.85 H new ATOM 0 HE2 MET A 109 14.154 -10.332 -7.226 1.00 1.85 H new ATOM 0 HE3 MET A 109 12.598 -10.889 -7.887 1.00 1.85 H new ATOM 1787 N PRO A 110 11.255 -4.370 -5.952 1.00 0.24 N ATOM 1788 CA PRO A 110 10.365 -3.223 -6.124 1.00 0.23 C ATOM 1789 C PRO A 110 9.030 -3.615 -6.756 1.00 0.21 C ATOM 1790 O PRO A 110 8.922 -4.644 -7.427 1.00 0.20 O ATOM 1791 CB PRO A 110 11.159 -2.311 -7.056 1.00 0.27 C ATOM 1792 CG PRO A 110 11.986 -3.244 -7.855 1.00 0.29 C ATOM 1793 CD PRO A 110 12.382 -4.334 -6.904 1.00 0.28 C ATOM 0 HA PRO A 110 10.098 -2.758 -5.175 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.500 -1.719 -7.691 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.777 -1.610 -6.496 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.424 -3.643 -8.699 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.862 -2.741 -8.264 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.509 -5.288 -7.415 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.325 -4.111 -6.405 1.00 0.28 H new ATOM 1801 N LEU A 111 8.021 -2.792 -6.525 1.00 0.23 N ATOM 1802 CA LEU A 111 6.687 -3.028 -7.050 1.00 0.22 C ATOM 1803 C LEU A 111 6.593 -2.489 -8.472 1.00 0.22 C ATOM 1804 O LEU A 111 7.147 -1.431 -8.781 1.00 0.26 O ATOM 1805 CB LEU A 111 5.652 -2.317 -6.168 1.00 0.27 C ATOM 1806 CG LEU A 111 4.338 -3.057 -5.887 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.839 -3.834 -7.096 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.503 -3.972 -4.693 1.00 0.31 C ATOM 0 H LEU A 111 8.104 -1.941 -5.968 1.00 0.23 H new ATOM 0 HA LEU A 111 6.488 -4.100 -7.053 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.123 -2.091 -5.211 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.408 -1.363 -6.636 1.00 0.27 H new ATOM 0 HG LEU A 111 3.581 -2.305 -5.663 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.907 -4.339 -6.844 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.667 -3.147 -7.924 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.585 -4.573 -7.387 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.565 -4.493 -4.501 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.287 -4.701 -4.899 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.776 -3.382 -3.818 1.00 0.31 H new ATOM 1820 N ASN A 112 5.902 -3.215 -9.329 1.00 0.22 N ATOM 1821 CA ASN A 112 5.667 -2.764 -10.692 1.00 0.25 C ATOM 1822 C ASN A 112 4.305 -2.084 -10.782 1.00 0.23 C ATOM 1823 O ASN A 112 3.309 -2.599 -10.266 1.00 0.22 O ATOM 1824 CB ASN A 112 5.744 -3.942 -11.667 1.00 0.29 C ATOM 1825 CG ASN A 112 5.575 -3.520 -13.116 1.00 1.06 C ATOM 1826 OD1 ASN A 112 5.943 -2.411 -13.503 1.00 1.85 O ATOM 1827 ND2 ASN A 112 5.023 -4.406 -13.929 1.00 1.69 N ATOM 0 H ASN A 112 5.492 -4.122 -9.107 1.00 0.22 H new ATOM 0 HA ASN A 112 6.440 -2.046 -10.965 1.00 0.25 H new ATOM 0 HB2 ASN A 112 6.705 -4.443 -11.549 1.00 0.29 H new ATOM 0 HB3 ASN A 112 4.972 -4.669 -11.413 1.00 0.29 H new ATOM 0 HD21 ASN A 112 4.890 -4.180 -14.915 1.00 1.69 H new ATOM 0 HD22 ASN A 112 4.731 -5.315 -13.570 1.00 1.69 H new ATOM 1834 N THR A 113 4.274 -0.919 -11.419 1.00 0.29 N ATOM 1835 CA THR A 113 3.061 -0.120 -11.521 1.00 0.31 C ATOM 1836 C THR A 113 1.910 -0.905 -12.160 1.00 0.28 C ATOM 1837 O THR A 113 2.003 -1.342 -13.308 1.00 0.32 O ATOM 1838 CB THR A 113 3.303 1.144 -12.356 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.502 1.803 -11.921 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.121 2.087 -12.230 1.00 0.45 C ATOM 0 H THR A 113 5.086 -0.504 -11.877 1.00 0.29 H new ATOM 0 HA THR A 113 2.787 0.151 -10.502 1.00 0.31 H new ATOM 0 HB THR A 113 3.417 0.856 -13.401 1.00 0.41 H new ATOM 0 HG1 THR A 113 4.648 2.607 -12.462 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.303 2.981 -12.827 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.219 1.590 -12.587 1.00 0.45 H new ATOM 0 HG23 THR A 113 1.990 2.369 -11.185 1.00 0.45 H new ATOM 1848 N GLY A 114 0.831 -1.066 -11.405 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.369 -1.700 -11.913 1.00 0.27 C ATOM 1850 C GLY A 114 -0.266 -3.209 -11.997 1.00 0.28 C ATOM 1851 O GLY A 114 -1.141 -3.865 -12.564 1.00 0.38 O ATOM 0 H GLY A 114 0.767 -0.763 -10.433 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -1.209 -1.436 -11.271 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.588 -1.303 -12.904 1.00 0.27 H new ATOM 1855 N GLU A 115 0.787 -3.763 -11.425 1.00 0.26 N ATOM 1856 CA GLU A 115 0.963 -5.203 -11.407 1.00 0.27 C ATOM 1857 C GLU A 115 0.699 -5.733 -10.014 1.00 0.24 C ATOM 1858 O GLU A 115 1.298 -5.264 -9.046 1.00 0.23 O ATOM 1859 CB GLU A 115 2.381 -5.586 -11.834 1.00 0.30 C ATOM 1860 CG GLU A 115 2.592 -7.090 -11.949 1.00 0.38 C ATOM 1861 CD GLU A 115 4.039 -7.467 -12.185 1.00 1.07 C ATOM 1862 OE1 GLU A 115 4.649 -8.097 -11.293 1.00 1.93 O ATOM 1863 OE2 GLU A 115 4.581 -7.125 -13.257 1.00 1.19 O ATOM 0 H GLU A 115 1.532 -3.238 -10.967 1.00 0.26 H new ATOM 0 HA GLU A 115 0.256 -5.642 -12.111 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.601 -5.121 -12.795 1.00 0.30 H new ATOM 0 HB3 GLU A 115 3.092 -5.181 -11.114 1.00 0.30 H new ATOM 0 HG2 GLU A 115 2.241 -7.572 -11.036 1.00 0.38 H new ATOM 0 HG3 GLU A 115 1.984 -7.475 -12.767 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.225 -6.690 -9.883 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.438 -7.391 -8.627 1.00 0.26 C ATOM 1872 C PRO A 116 0.799 -8.195 -8.259 1.00 0.23 C ATOM 1873 O PRO A 116 1.151 -9.168 -8.928 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.635 -8.305 -8.914 1.00 0.33 C ATOM 1875 CG PRO A 116 -2.267 -7.732 -10.135 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.140 -7.153 -10.930 1.00 0.34 C ATOM 0 HA PRO A 116 -0.624 -6.723 -7.786 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.316 -9.334 -9.079 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.333 -8.318 -8.077 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -2.794 -8.499 -10.702 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -2.999 -6.967 -9.877 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.675 -7.897 -11.577 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.472 -6.336 -11.571 1.00 0.34 H new ATOM 1884 N PHE A 117 1.456 -7.771 -7.200 1.00 0.20 N ATOM 1885 CA PHE A 117 2.727 -8.347 -6.808 1.00 0.21 C ATOM 1886 C PHE A 117 2.601 -9.001 -5.439 1.00 0.21 C ATOM 1887 O PHE A 117 1.960 -8.460 -4.539 1.00 0.19 O ATOM 1888 CB PHE A 117 3.793 -7.245 -6.807 1.00 0.23 C ATOM 1889 CG PHE A 117 5.212 -7.734 -6.724 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.159 -7.004 -6.027 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.601 -8.911 -7.344 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.467 -7.438 -5.947 1.00 0.35 C ATOM 1893 CE2 PHE A 117 6.908 -9.349 -7.268 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.842 -8.612 -6.569 1.00 0.41 C ATOM 0 H PHE A 117 1.128 -7.023 -6.590 1.00 0.20 H new ATOM 0 HA PHE A 117 3.025 -9.120 -7.517 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.682 -6.652 -7.715 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.604 -6.579 -5.965 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.871 -6.084 -5.540 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.874 -9.492 -7.892 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.196 -6.860 -5.399 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.199 -10.268 -7.755 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.865 -8.953 -6.509 1.00 0.41 H new ATOM 1904 N VAL A 118 3.199 -10.178 -5.309 1.00 0.25 N ATOM 1905 CA VAL A 118 3.076 -10.995 -4.107 1.00 0.28 C ATOM 1906 C VAL A 118 3.512 -10.242 -2.843 1.00 0.26 C ATOM 1907 O VAL A 118 4.663 -9.824 -2.713 1.00 0.29 O ATOM 1908 CB VAL A 118 3.881 -12.310 -4.250 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.327 -12.034 -4.633 1.00 0.65 C ATOM 1910 CG2 VAL A 118 3.813 -13.129 -2.972 1.00 0.71 C ATOM 0 H VAL A 118 3.784 -10.594 -6.034 1.00 0.25 H new ATOM 0 HA VAL A 118 2.018 -11.235 -3.997 1.00 0.28 H new ATOM 0 HB VAL A 118 3.426 -12.889 -5.053 1.00 0.35 H new ATOM 0 HG11 VAL A 118 5.865 -12.977 -4.726 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.356 -11.504 -5.585 1.00 0.65 H new ATOM 0 HG13 VAL A 118 5.797 -11.422 -3.863 1.00 0.65 H new ATOM 0 HG21 VAL A 118 4.386 -14.048 -3.098 1.00 0.71 H new ATOM 0 HG22 VAL A 118 4.230 -12.551 -2.147 1.00 0.71 H new ATOM 0 HG23 VAL A 118 2.774 -13.376 -2.753 1.00 0.71 H new ATOM 1920 N VAL A 119 2.564 -10.065 -1.925 1.00 0.23 N ATOM 1921 CA VAL A 119 2.817 -9.375 -0.663 1.00 0.22 C ATOM 1922 C VAL A 119 2.566 -10.311 0.527 1.00 0.23 C ATOM 1923 O VAL A 119 3.014 -10.058 1.646 1.00 0.23 O ATOM 1924 CB VAL A 119 1.923 -8.116 -0.542 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.449 -8.472 -0.647 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.199 -7.385 0.757 1.00 0.22 C ATOM 0 H VAL A 119 1.605 -10.394 -2.034 1.00 0.23 H new ATOM 0 HA VAL A 119 3.862 -9.067 -0.651 1.00 0.22 H new ATOM 0 HB VAL A 119 2.169 -7.455 -1.373 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.151 -7.566 -0.558 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.256 -8.942 -1.611 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.184 -9.163 0.153 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.560 -6.504 0.822 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.991 -8.046 1.598 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.245 -7.078 0.787 1.00 0.22 H new ATOM 1936 N GLN A 120 1.876 -11.411 0.257 1.00 0.27 N ATOM 1937 CA GLN A 120 1.445 -12.339 1.298 1.00 0.33 C ATOM 1938 C GLN A 120 2.607 -12.885 2.130 1.00 0.45 C ATOM 1939 O GLN A 120 2.521 -12.957 3.355 1.00 1.35 O ATOM 1940 CB GLN A 120 0.684 -13.507 0.673 1.00 0.32 C ATOM 1941 CG GLN A 120 1.460 -14.223 -0.415 1.00 0.37 C ATOM 1942 CD GLN A 120 0.728 -15.418 -0.977 1.00 0.45 C ATOM 1943 OE1 GLN A 120 -0.499 -15.432 -1.062 1.00 1.23 O ATOM 1944 NE2 GLN A 120 1.480 -16.432 -1.357 1.00 1.21 N ATOM 0 H GLN A 120 1.599 -11.686 -0.685 1.00 0.27 H new ATOM 0 HA GLN A 120 0.798 -11.775 1.970 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.426 -14.222 1.454 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.253 -13.138 0.257 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.673 -13.522 -1.222 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.420 -14.548 -0.014 1.00 0.37 H new ATOM 0 HE21 GLN A 120 2.495 -16.376 -1.268 1.00 1.21 H new ATOM 0 HE22 GLN A 120 1.047 -17.272 -1.740 1.00 1.21 H new ATOM 1953 N ASP A 121 3.686 -13.270 1.468 1.00 0.72 N ATOM 1954 CA ASP A 121 4.774 -13.954 2.146 1.00 0.76 C ATOM 1955 C ASP A 121 6.072 -13.166 2.063 1.00 0.65 C ATOM 1956 O ASP A 121 7.146 -13.730 1.852 1.00 0.96 O ATOM 1957 CB ASP A 121 4.956 -15.375 1.587 1.00 0.96 C ATOM 1958 CG ASP A 121 5.166 -15.428 0.081 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.275 -15.096 -0.397 1.00 1.55 O ATOM 1960 OD2 ASP A 121 4.222 -15.837 -0.631 1.00 2.35 O ATOM 0 H ASP A 121 3.831 -13.122 0.469 1.00 0.72 H new ATOM 0 HA ASP A 121 4.508 -14.031 3.200 1.00 0.76 H new ATOM 0 HB2 ASP A 121 5.810 -15.841 2.079 1.00 0.96 H new ATOM 0 HB3 ASP A 121 4.078 -15.969 1.842 1.00 0.96 H new ATOM 1965 N ILE A 122 5.977 -11.861 2.250 1.00 0.37 N ATOM 1966 CA ILE A 122 7.161 -11.020 2.274 1.00 0.29 C ATOM 1967 C ILE A 122 7.727 -10.940 3.686 1.00 0.24 C ATOM 1968 O ILE A 122 7.087 -11.355 4.652 1.00 0.32 O ATOM 1969 CB ILE A 122 6.874 -9.588 1.768 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.883 -8.871 2.695 1.00 0.26 C ATOM 1971 CG2 ILE A 122 6.340 -9.634 0.345 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.700 -7.401 2.376 1.00 0.31 C ATOM 0 H ILE A 122 5.097 -11.363 2.387 1.00 0.37 H new ATOM 0 HA ILE A 122 7.886 -11.481 1.603 1.00 0.29 H new ATOM 0 HB ILE A 122 7.807 -9.025 1.773 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.916 -9.370 2.633 1.00 0.26 H new ATOM 0 HG13 ILE A 122 6.227 -8.970 3.725 1.00 0.26 H new ATOM 0 HG21 ILE A 122 6.141 -8.620 -0.002 1.00 0.36 H new ATOM 0 HG22 ILE A 122 7.079 -10.102 -0.306 1.00 0.36 H new ATOM 0 HG23 ILE A 122 5.417 -10.213 0.321 1.00 0.36 H new ATOM 0 HD11 ILE A 122 4.986 -6.964 3.073 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.657 -6.887 2.467 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.326 -7.293 1.358 1.00 0.31 H new ATOM 1984 N ASP A 123 8.934 -10.422 3.794 1.00 0.23 N ATOM 1985 CA ASP A 123 9.543 -10.153 5.086 1.00 0.25 C ATOM 1986 C ASP A 123 9.148 -8.769 5.546 1.00 0.25 C ATOM 1987 O ASP A 123 8.753 -8.565 6.694 1.00 0.29 O ATOM 1988 CB ASP A 123 11.066 -10.248 5.005 1.00 0.26 C ATOM 1989 CG ASP A 123 11.558 -11.680 4.978 1.00 0.32 C ATOM 1990 OD1 ASP A 123 11.247 -12.404 4.009 1.00 0.30 O ATOM 1991 OD2 ASP A 123 12.268 -12.089 5.922 1.00 0.50 O ATOM 0 H ASP A 123 9.519 -10.176 2.996 1.00 0.23 H new ATOM 0 HA ASP A 123 9.190 -10.899 5.798 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.412 -9.732 4.109 1.00 0.26 H new ATOM 0 HB3 ASP A 123 11.505 -9.733 5.859 1.00 0.26 H new ATOM 1996 N ALA A 124 9.255 -7.821 4.634 1.00 0.21 N ATOM 1997 CA ALA A 124 8.918 -6.447 4.928 1.00 0.21 C ATOM 1998 C ALA A 124 8.564 -5.692 3.656 1.00 0.19 C ATOM 1999 O ALA A 124 8.890 -6.129 2.556 1.00 0.19 O ATOM 2000 CB ALA A 124 10.087 -5.778 5.633 1.00 0.22 C ATOM 0 H ALA A 124 9.575 -7.982 3.679 1.00 0.21 H new ATOM 0 HA ALA A 124 8.046 -6.431 5.581 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.833 -4.741 5.855 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.302 -6.306 6.562 1.00 0.22 H new ATOM 0 HB3 ALA A 124 10.965 -5.806 4.988 1.00 0.22 H new ATOM 2006 N MET A 125 7.873 -4.581 3.820 1.00 0.19 N ATOM 2007 CA MET A 125 7.622 -3.654 2.730 1.00 0.16 C ATOM 2008 C MET A 125 8.003 -2.239 3.171 1.00 0.16 C ATOM 2009 O MET A 125 8.020 -1.935 4.363 1.00 0.18 O ATOM 2010 CB MET A 125 6.149 -3.682 2.256 1.00 0.24 C ATOM 2011 CG MET A 125 5.798 -2.406 1.499 1.00 0.31 C ATOM 2012 SD MET A 125 4.375 -2.420 0.430 1.00 1.16 S ATOM 2013 CE MET A 125 4.396 -0.688 -0.015 1.00 0.73 C ATOM 0 H MET A 125 7.469 -4.294 4.712 1.00 0.19 H new ATOM 0 HA MET A 125 8.235 -3.964 1.884 1.00 0.16 H new ATOM 0 HB2 MET A 125 5.986 -4.547 1.614 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.488 -3.793 3.116 1.00 0.24 H new ATOM 0 HG2 MET A 125 5.654 -1.613 2.233 1.00 0.31 H new ATOM 0 HG3 MET A 125 6.663 -2.129 0.897 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.448 -0.421 -0.482 1.00 0.73 H new ATOM 0 HE2 MET A 125 4.542 -0.084 0.881 1.00 0.73 H new ATOM 0 HE3 MET A 125 5.211 -0.502 -0.715 1.00 0.73 H new ATOM 2023 N SER A 126 8.335 -1.392 2.213 1.00 0.16 N ATOM 2024 CA SER A 126 8.589 0.011 2.480 1.00 0.18 C ATOM 2025 C SER A 126 8.052 0.844 1.336 1.00 0.22 C ATOM 2026 O SER A 126 7.827 0.329 0.236 1.00 0.29 O ATOM 2027 CB SER A 126 10.083 0.260 2.632 1.00 0.24 C ATOM 2028 OG SER A 126 10.767 -0.149 1.464 1.00 1.22 O ATOM 0 H SER A 126 8.436 -1.656 1.233 1.00 0.16 H new ATOM 0 HA SER A 126 8.090 0.291 3.408 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.266 1.318 2.818 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.464 -0.285 3.495 1.00 0.24 H new ATOM 0 HG SER A 126 10.969 -1.106 1.522 1.00 1.22 H new ATOM 2034 N VAL A 127 7.831 2.119 1.588 1.00 0.21 N ATOM 2035 CA VAL A 127 7.428 3.016 0.534 1.00 0.23 C ATOM 2036 C VAL A 127 8.474 4.102 0.381 1.00 0.22 C ATOM 2037 O VAL A 127 8.594 4.994 1.221 1.00 0.19 O ATOM 2038 CB VAL A 127 6.057 3.655 0.816 1.00 0.23 C ATOM 2039 CG1 VAL A 127 5.476 4.245 -0.457 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.108 2.638 1.435 1.00 0.26 C ATOM 0 H VAL A 127 7.924 2.551 2.507 1.00 0.21 H new ATOM 0 HA VAL A 127 7.339 2.439 -0.387 1.00 0.23 H new ATOM 0 HB VAL A 127 6.191 4.465 1.533 1.00 0.23 H new ATOM 0 HG11 VAL A 127 4.506 4.693 -0.241 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.150 5.009 -0.845 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.354 3.457 -1.200 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.144 3.109 1.627 1.00 0.26 H new ATOM 0 HG22 VAL A 127 4.973 1.802 0.749 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.527 2.274 2.373 1.00 0.26 H new ATOM 2050 N LEU A 128 9.233 4.006 -0.690 1.00 0.28 N ATOM 2051 CA LEU A 128 10.288 4.954 -0.980 1.00 0.32 C ATOM 2052 C LEU A 128 9.828 5.887 -2.089 1.00 0.33 C ATOM 2053 O LEU A 128 9.025 5.505 -2.930 1.00 0.38 O ATOM 2054 CB LEU A 128 11.550 4.211 -1.433 1.00 0.43 C ATOM 2055 CG LEU A 128 12.512 3.682 -0.349 1.00 0.21 C ATOM 2056 CD1 LEU A 128 11.804 3.268 0.940 1.00 0.34 C ATOM 2057 CD2 LEU A 128 13.284 2.506 -0.912 1.00 0.42 C ATOM 0 H LEU A 128 9.136 3.267 -1.386 1.00 0.28 H new ATOM 0 HA LEU A 128 10.515 5.527 -0.081 1.00 0.32 H new ATOM 0 HB2 LEU A 128 11.237 3.364 -2.043 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.115 4.880 -2.082 1.00 0.43 H new ATOM 0 HG LEU A 128 13.182 4.499 -0.082 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.539 2.906 1.659 1.00 0.34 H new ATOM 0 HD12 LEU A 128 11.279 4.127 1.359 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.088 2.476 0.723 1.00 0.34 H new ATOM 0 HD21 LEU A 128 13.968 2.123 -0.154 1.00 0.42 H new ATOM 0 HD22 LEU A 128 12.588 1.719 -1.203 1.00 0.42 H new ATOM 0 HD23 LEU A 128 13.853 2.828 -1.784 1.00 0.42 H new ATOM 2069 N PRO A 129 10.310 7.125 -2.100 1.00 0.35 N ATOM 2070 CA PRO A 129 10.046 8.055 -3.190 1.00 0.40 C ATOM 2071 C PRO A 129 10.859 7.695 -4.418 1.00 0.56 C ATOM 2072 O PRO A 129 11.728 6.833 -4.333 1.00 0.91 O ATOM 2073 CB PRO A 129 10.473 9.403 -2.619 1.00 0.47 C ATOM 2074 CG PRO A 129 11.516 9.070 -1.609 1.00 0.52 C ATOM 2075 CD PRO A 129 11.155 7.716 -1.052 1.00 0.41 C ATOM 0 HA PRO A 129 9.006 8.046 -3.516 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.869 10.056 -3.397 1.00 0.47 H new ATOM 0 HB3 PRO A 129 9.632 9.925 -2.163 1.00 0.47 H new ATOM 0 HG2 PRO A 129 12.506 9.051 -2.065 1.00 0.52 H new ATOM 0 HG3 PRO A 129 11.544 9.820 -0.818 1.00 0.52 H new ATOM 0 HD2 PRO A 129 12.042 7.111 -0.863 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.620 7.801 -0.106 1.00 0.41 H new ATOM 2083 N LYS A 130 10.517 8.300 -5.559 1.00 0.43 N ATOM 2084 CA LYS A 130 11.243 8.096 -6.829 1.00 0.53 C ATOM 2085 C LYS A 130 12.734 7.797 -6.625 1.00 0.47 C ATOM 2086 O LYS A 130 13.284 6.909 -7.279 1.00 0.81 O ATOM 2087 CB LYS A 130 11.095 9.314 -7.743 1.00 0.74 C ATOM 2088 CG LYS A 130 9.707 9.511 -8.324 1.00 0.83 C ATOM 2089 CD LYS A 130 9.215 8.265 -9.032 1.00 1.76 C ATOM 2090 CE LYS A 130 8.090 7.619 -8.253 1.00 2.10 C ATOM 2091 NZ LYS A 130 7.732 6.279 -8.792 1.00 3.29 N ATOM 0 H LYS A 130 9.731 8.945 -5.635 1.00 0.43 H new ATOM 0 HA LYS A 130 10.790 7.222 -7.296 1.00 0.53 H new ATOM 0 HB2 LYS A 130 11.368 10.207 -7.181 1.00 0.74 H new ATOM 0 HB3 LYS A 130 11.807 9.223 -8.563 1.00 0.74 H new ATOM 0 HG2 LYS A 130 9.012 9.775 -7.526 1.00 0.83 H new ATOM 0 HG3 LYS A 130 9.721 10.346 -9.024 1.00 0.83 H new ATOM 0 HD2 LYS A 130 8.870 8.522 -10.034 1.00 1.76 H new ATOM 0 HD3 LYS A 130 10.036 7.558 -9.149 1.00 1.76 H new ATOM 0 HE2 LYS A 130 8.383 7.522 -7.208 1.00 2.10 H new ATOM 0 HE3 LYS A 130 7.213 8.266 -8.280 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 7.136 5.776 -8.104 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 7.210 6.392 -9.684 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 8.599 5.731 -8.965 1.00 3.29 H new ATOM 2105 N GLY A 131 13.387 8.539 -5.731 1.00 0.43 N ATOM 2106 CA GLY A 131 14.748 8.205 -5.337 1.00 0.39 C ATOM 2107 C GLY A 131 14.787 6.952 -4.471 1.00 0.33 C ATOM 2108 O GLY A 131 15.215 6.990 -3.316 1.00 0.44 O ATOM 0 H GLY A 131 12.999 9.364 -5.273 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.359 8.053 -6.227 1.00 0.39 H new ATOM 0 HA3 GLY A 131 15.185 9.040 -4.790 1.00 0.39 H new ATOM 2112 N SER A 132 14.350 5.841 -5.053 1.00 0.31 N ATOM 2113 CA SER A 132 14.142 4.588 -4.339 1.00 0.36 C ATOM 2114 C SER A 132 15.450 3.857 -4.060 1.00 0.39 C ATOM 2115 O SER A 132 15.456 2.797 -3.427 1.00 0.44 O ATOM 2116 CB SER A 132 13.189 3.698 -5.133 1.00 0.49 C ATOM 2117 OG SER A 132 13.686 3.450 -6.438 1.00 1.23 O ATOM 0 H SER A 132 14.128 5.785 -6.047 1.00 0.31 H new ATOM 0 HA SER A 132 13.701 4.825 -3.371 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.048 2.753 -4.609 1.00 0.49 H new ATOM 0 HB3 SER A 132 12.211 4.175 -5.198 1.00 0.49 H new ATOM 0 HG SER A 132 13.644 2.489 -6.627 1.00 1.23 H new ATOM 2123 N SER A 133 16.553 4.414 -4.550 1.00 0.40 N ATOM 2124 CA SER A 133 17.878 3.821 -4.385 1.00 0.48 C ATOM 2125 C SER A 133 18.247 3.593 -2.912 1.00 0.45 C ATOM 2126 O SER A 133 19.277 2.987 -2.612 1.00 0.51 O ATOM 2127 CB SER A 133 18.913 4.712 -5.068 1.00 0.58 C ATOM 2128 OG SER A 133 18.610 6.083 -4.867 1.00 1.30 O ATOM 0 H SER A 133 16.555 5.290 -5.073 1.00 0.40 H new ATOM 0 HA SER A 133 17.865 2.836 -4.852 1.00 0.48 H new ATOM 0 HB2 SER A 133 19.905 4.493 -4.673 1.00 0.58 H new ATOM 0 HB3 SER A 133 18.939 4.494 -6.136 1.00 0.58 H new ATOM 0 HG SER A 133 19.286 6.636 -5.311 1.00 1.30 H new ATOM 2134 N SER A 134 17.399 4.071 -2.004 1.00 0.40 N ATOM 2135 CA SER A 134 17.556 3.816 -0.580 1.00 0.39 C ATOM 2136 C SER A 134 17.632 2.317 -0.297 1.00 0.34 C ATOM 2137 O SER A 134 18.528 1.853 0.405 1.00 0.39 O ATOM 2138 CB SER A 134 16.372 4.419 0.174 1.00 0.39 C ATOM 2139 OG SER A 134 16.269 5.812 -0.069 1.00 0.44 O ATOM 0 H SER A 134 16.588 4.644 -2.237 1.00 0.40 H new ATOM 0 HA SER A 134 18.486 4.275 -0.245 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.451 3.924 -0.133 1.00 0.39 H new ATOM 0 HB3 SER A 134 16.489 4.241 1.243 1.00 0.39 H new ATOM 0 HG SER A 134 15.329 6.085 -0.013 1.00 0.44 H new ATOM 2145 N LEU A 135 16.698 1.565 -0.860 1.00 0.28 N ATOM 2146 CA LEU A 135 16.643 0.129 -0.632 1.00 0.26 C ATOM 2147 C LEU A 135 16.831 -0.654 -1.932 1.00 0.28 C ATOM 2148 O LEU A 135 16.715 -1.876 -1.953 1.00 0.37 O ATOM 2149 CB LEU A 135 15.309 -0.232 0.017 1.00 0.24 C ATOM 2150 CG LEU A 135 15.073 0.365 1.407 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.663 0.083 1.869 1.00 0.25 C ATOM 2152 CD2 LEU A 135 16.072 -0.194 2.395 1.00 0.29 C ATOM 0 H LEU A 135 15.969 1.924 -1.477 1.00 0.28 H new ATOM 0 HA LEU A 135 17.461 -0.144 0.035 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.504 0.094 -0.641 1.00 0.24 H new ATOM 0 HB3 LEU A 135 15.242 -1.317 0.090 1.00 0.24 H new ATOM 0 HG LEU A 135 15.209 1.445 1.348 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.511 0.514 2.859 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.955 0.526 1.168 1.00 0.25 H new ATOM 0 HD13 LEU A 135 13.504 -0.994 1.914 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.892 0.239 3.379 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.962 -1.277 2.450 1.00 0.29 H new ATOM 0 HD23 LEU A 135 17.083 0.052 2.069 1.00 0.29 H new ATOM 2164 N LYS A 136 17.128 0.054 -3.018 1.00 0.30 N ATOM 2165 CA LYS A 136 17.257 -0.573 -4.330 1.00 0.35 C ATOM 2166 C LYS A 136 18.629 -1.228 -4.485 1.00 0.37 C ATOM 2167 O LYS A 136 19.528 -0.676 -5.128 1.00 0.42 O ATOM 2168 CB LYS A 136 17.047 0.465 -5.435 1.00 0.40 C ATOM 2169 CG LYS A 136 16.918 -0.132 -6.829 1.00 0.46 C ATOM 2170 CD LYS A 136 16.801 0.950 -7.897 1.00 0.57 C ATOM 2171 CE LYS A 136 18.050 1.820 -7.959 1.00 0.98 C ATOM 2172 NZ LYS A 136 17.959 2.865 -9.013 1.00 1.66 N ATOM 0 H LYS A 136 17.284 1.062 -3.016 1.00 0.30 H new ATOM 0 HA LYS A 136 16.493 -1.345 -4.416 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.148 1.040 -5.213 1.00 0.40 H new ATOM 0 HB3 LYS A 136 17.883 1.164 -5.426 1.00 0.40 H new ATOM 0 HG2 LYS A 136 17.785 -0.758 -7.039 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.041 -0.779 -6.868 1.00 0.46 H new ATOM 0 HD2 LYS A 136 16.633 0.485 -8.869 1.00 0.57 H new ATOM 0 HD3 LYS A 136 15.933 1.575 -7.688 1.00 0.57 H new ATOM 0 HE2 LYS A 136 18.207 2.296 -6.991 1.00 0.98 H new ATOM 0 HE3 LYS A 136 18.919 1.190 -8.149 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 18.831 3.431 -9.017 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 17.836 2.412 -9.941 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 17.146 3.484 -8.819 1.00 1.66 H new ATOM 2186 N VAL A 137 18.784 -2.398 -3.891 1.00 0.37 N ATOM 2187 CA VAL A 137 20.031 -3.132 -3.954 1.00 0.42 C ATOM 2188 C VAL A 137 19.748 -4.620 -4.157 1.00 0.46 C ATOM 2189 O VAL A 137 18.619 -5.068 -3.942 1.00 0.51 O ATOM 2190 CB VAL A 137 20.858 -2.896 -2.667 1.00 0.41 C ATOM 2191 CG1 VAL A 137 20.078 -3.343 -1.447 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.212 -3.589 -2.720 1.00 0.51 C ATOM 0 H VAL A 137 18.052 -2.863 -3.354 1.00 0.37 H new ATOM 0 HA VAL A 137 20.615 -2.773 -4.801 1.00 0.42 H new ATOM 0 HB VAL A 137 21.047 -1.825 -2.594 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.674 -3.170 -0.551 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.150 -2.776 -1.381 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.849 -4.405 -1.531 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.756 -3.395 -1.796 1.00 0.51 H new ATOM 0 HG22 VAL A 137 22.067 -4.663 -2.837 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.784 -3.206 -3.565 1.00 0.51 H new ATOM 2202 N LYS A 138 20.752 -5.363 -4.597 1.00 0.50 N ATOM 2203 CA LYS A 138 20.613 -6.789 -4.888 1.00 0.57 C ATOM 2204 C LYS A 138 20.015 -7.541 -3.700 1.00 0.47 C ATOM 2205 O LYS A 138 19.037 -8.280 -3.840 1.00 0.53 O ATOM 2206 CB LYS A 138 21.989 -7.360 -5.230 1.00 0.69 C ATOM 2207 CG LYS A 138 22.739 -6.522 -6.252 1.00 1.22 C ATOM 2208 CD LYS A 138 24.193 -6.324 -5.858 1.00 1.34 C ATOM 2209 CE LYS A 138 24.821 -5.191 -6.651 1.00 1.59 C ATOM 2210 NZ LYS A 138 26.236 -4.951 -6.260 1.00 2.06 N ATOM 0 H LYS A 138 21.689 -4.997 -4.764 1.00 0.50 H new ATOM 0 HA LYS A 138 19.935 -6.912 -5.733 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.584 -7.432 -4.319 1.00 0.69 H new ATOM 0 HB3 LYS A 138 21.871 -8.373 -5.614 1.00 0.69 H new ATOM 0 HG2 LYS A 138 22.689 -7.006 -7.227 1.00 1.22 H new ATOM 0 HG3 LYS A 138 22.254 -5.551 -6.353 1.00 1.22 H new ATOM 0 HD2 LYS A 138 24.258 -6.107 -4.792 1.00 1.34 H new ATOM 0 HD3 LYS A 138 24.749 -7.245 -6.030 1.00 1.34 H new ATOM 0 HE2 LYS A 138 24.774 -5.424 -7.715 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.244 -4.279 -6.499 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 26.625 -4.170 -6.826 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 26.280 -4.703 -5.251 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 26.794 -5.812 -6.429 1.00 2.06 H new ATOM 2224 N THR A 139 20.585 -7.312 -2.529 1.00 0.37 N ATOM 2225 CA THR A 139 20.179 -8.015 -1.324 1.00 0.29 C ATOM 2226 C THR A 139 20.231 -7.091 -0.122 1.00 0.25 C ATOM 2227 O THR A 139 21.027 -6.152 -0.089 1.00 0.28 O ATOM 2228 CB THR A 139 21.062 -9.248 -1.059 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.331 -9.096 -1.713 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.371 -10.515 -1.535 1.00 0.39 C ATOM 0 H THR A 139 21.337 -6.638 -2.387 1.00 0.37 H new ATOM 0 HA THR A 139 19.154 -8.352 -1.480 1.00 0.29 H new ATOM 0 HB THR A 139 21.227 -9.331 0.015 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.886 -9.884 -1.537 1.00 0.39 H new ATOM 0 HG21 THR A 139 21.012 -11.375 -1.339 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.427 -10.637 -1.003 1.00 0.39 H new ATOM 0 HG23 THR A 139 20.178 -10.444 -2.605 1.00 0.39 H new ATOM 2238 N MET A 140 19.383 -7.358 0.857 1.00 0.26 N ATOM 2239 CA MET A 140 19.266 -6.486 2.011 1.00 0.32 C ATOM 2240 C MET A 140 18.822 -7.218 3.266 1.00 0.34 C ATOM 2241 O MET A 140 18.315 -8.338 3.211 1.00 0.38 O ATOM 2242 CB MET A 140 18.280 -5.383 1.722 1.00 0.38 C ATOM 2243 CG MET A 140 18.944 -4.068 1.417 1.00 0.60 C ATOM 2244 SD MET A 140 17.840 -2.704 1.707 1.00 0.78 S ATOM 2245 CE MET A 140 17.378 -3.131 3.375 1.00 0.40 C ATOM 0 H MET A 140 18.767 -8.171 0.875 1.00 0.26 H new ATOM 0 HA MET A 140 20.261 -6.082 2.196 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.655 -5.673 0.877 1.00 0.38 H new ATOM 0 HB3 MET A 140 17.619 -5.260 2.580 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.834 -3.956 2.036 1.00 0.60 H new ATOM 0 HG3 MET A 140 19.274 -4.057 0.378 1.00 0.60 H new ATOM 0 HE1 MET A 140 17.064 -2.233 3.907 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.556 -3.846 3.353 1.00 0.40 H new ATOM 0 HE3 MET A 140 18.232 -3.575 3.887 1.00 0.40 H new ATOM 2255 N ALA A 141 19.027 -6.552 4.397 1.00 0.34 N ATOM 2256 CA ALA A 141 18.567 -7.029 5.688 1.00 0.38 C ATOM 2257 C ALA A 141 17.152 -6.535 5.955 1.00 0.34 C ATOM 2258 O ALA A 141 16.850 -5.357 5.756 1.00 0.36 O ATOM 2259 CB ALA A 141 19.499 -6.532 6.784 1.00 0.44 C ATOM 0 H ALA A 141 19.521 -5.660 4.440 1.00 0.34 H new ATOM 0 HA ALA A 141 18.567 -8.119 5.682 1.00 0.38 H new ATOM 0 HB1 ALA A 141 19.149 -6.893 7.751 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.507 -6.904 6.601 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.510 -5.442 6.786 1.00 0.44 H new ATOM 2265 N LYS A 142 16.297 -7.443 6.410 1.00 0.32 N ATOM 2266 CA LYS A 142 14.915 -7.120 6.762 1.00 0.30 C ATOM 2267 C LYS A 142 14.864 -6.051 7.850 1.00 0.26 C ATOM 2268 O LYS A 142 13.951 -5.230 7.891 1.00 0.24 O ATOM 2269 CB LYS A 142 14.202 -8.391 7.235 1.00 0.33 C ATOM 2270 CG LYS A 142 12.825 -8.157 7.836 1.00 0.32 C ATOM 2271 CD LYS A 142 12.255 -9.443 8.412 1.00 0.38 C ATOM 2272 CE LYS A 142 10.883 -9.225 9.022 1.00 0.49 C ATOM 2273 NZ LYS A 142 10.346 -10.467 9.642 1.00 1.11 N ATOM 0 H LYS A 142 16.540 -8.424 6.546 1.00 0.32 H new ATOM 0 HA LYS A 142 14.411 -6.725 5.880 1.00 0.30 H new ATOM 0 HB2 LYS A 142 14.104 -9.073 6.390 1.00 0.33 H new ATOM 0 HB3 LYS A 142 14.828 -8.889 7.976 1.00 0.33 H new ATOM 0 HG2 LYS A 142 12.890 -7.401 8.619 1.00 0.32 H new ATOM 0 HG3 LYS A 142 12.152 -7.767 7.072 1.00 0.32 H new ATOM 0 HD2 LYS A 142 12.189 -10.196 7.626 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.933 -9.834 9.171 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.942 -8.440 9.775 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.195 -8.877 8.252 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 9.474 -10.246 10.163 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 10.138 -11.164 8.899 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 11.051 -10.860 10.298 1.00 1.11 H new ATOM 2287 N ASP A 143 15.872 -6.059 8.710 1.00 0.29 N ATOM 2288 CA ASP A 143 15.954 -5.116 9.818 1.00 0.31 C ATOM 2289 C ASP A 143 16.264 -3.726 9.293 1.00 0.28 C ATOM 2290 O ASP A 143 15.694 -2.727 9.736 1.00 0.29 O ATOM 2291 CB ASP A 143 17.039 -5.557 10.800 1.00 0.37 C ATOM 2292 CG ASP A 143 17.291 -4.534 11.888 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.439 -4.402 12.793 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.343 -3.865 11.849 1.00 0.52 O ATOM 0 H ASP A 143 16.652 -6.715 8.661 1.00 0.29 H new ATOM 0 HA ASP A 143 14.995 -5.094 10.336 1.00 0.31 H new ATOM 0 HB2 ASP A 143 16.748 -6.503 11.256 1.00 0.37 H new ATOM 0 HB3 ASP A 143 17.965 -5.738 10.255 1.00 0.37 H new ATOM 2299 N MET A 144 17.163 -3.683 8.331 1.00 0.29 N ATOM 2300 CA MET A 144 17.542 -2.443 7.687 1.00 0.30 C ATOM 2301 C MET A 144 16.400 -1.913 6.835 1.00 0.24 C ATOM 2302 O MET A 144 16.126 -0.721 6.831 1.00 0.25 O ATOM 2303 CB MET A 144 18.767 -2.664 6.814 1.00 0.35 C ATOM 2304 CG MET A 144 19.075 -1.491 5.897 1.00 0.36 C ATOM 2305 SD MET A 144 20.428 -1.829 4.759 1.00 0.48 S ATOM 2306 CE MET A 144 20.305 -0.417 3.666 1.00 0.43 C ATOM 0 H MET A 144 17.650 -4.505 7.974 1.00 0.29 H new ATOM 0 HA MET A 144 17.774 -1.711 8.460 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.630 -2.852 7.453 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.617 -3.558 6.209 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.181 -1.238 5.326 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.325 -0.619 6.502 1.00 0.36 H new ATOM 0 HE1 MET A 144 21.161 -0.403 2.991 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.386 -0.486 3.085 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.293 0.500 4.256 1.00 0.43 H new ATOM 2316 N PHE A 145 15.740 -2.820 6.125 1.00 0.21 N ATOM 2317 CA PHE A 145 14.681 -2.466 5.183 1.00 0.17 C ATOM 2318 C PHE A 145 13.643 -1.563 5.840 1.00 0.15 C ATOM 2319 O PHE A 145 13.319 -0.489 5.331 1.00 0.16 O ATOM 2320 CB PHE A 145 14.017 -3.742 4.669 1.00 0.19 C ATOM 2321 CG PHE A 145 13.217 -3.545 3.419 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.838 -3.503 3.463 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.852 -3.409 2.196 1.00 0.18 C ATOM 2324 CE1 PHE A 145 11.106 -3.331 2.310 1.00 0.30 C ATOM 2325 CE2 PHE A 145 13.123 -3.236 1.040 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.748 -3.197 1.098 1.00 0.29 C ATOM 0 H PHE A 145 15.922 -3.822 6.185 1.00 0.21 H new ATOM 0 HA PHE A 145 15.121 -1.919 4.350 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.786 -4.491 4.483 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.366 -4.141 5.447 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.329 -3.606 4.410 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.931 -3.439 2.148 1.00 0.18 H new ATOM 0 HE1 PHE A 145 10.027 -3.301 2.355 1.00 0.30 H new ATOM 0 HE2 PHE A 145 13.628 -3.131 0.091 1.00 0.23 H new ATOM 0 HZ PHE A 145 11.173 -3.061 0.194 1.00 0.29 H new ATOM 2336 N VAL A 146 13.142 -1.998 6.986 1.00 0.15 N ATOM 2337 CA VAL A 146 12.160 -1.223 7.724 1.00 0.14 C ATOM 2338 C VAL A 146 12.761 0.069 8.283 1.00 0.15 C ATOM 2339 O VAL A 146 12.177 1.139 8.138 1.00 0.16 O ATOM 2340 CB VAL A 146 11.489 -2.044 8.853 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.479 -2.948 9.563 1.00 0.19 C ATOM 2342 CG2 VAL A 146 10.809 -1.127 9.851 1.00 0.17 C ATOM 0 H VAL A 146 13.400 -2.883 7.424 1.00 0.15 H new ATOM 0 HA VAL A 146 11.383 -0.955 7.008 1.00 0.14 H new ATOM 0 HB VAL A 146 10.737 -2.679 8.385 1.00 0.16 H new ATOM 0 HG11 VAL A 146 11.966 -3.505 10.347 1.00 0.19 H new ATOM 0 HG12 VAL A 146 12.913 -3.646 8.847 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.271 -2.344 10.006 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.344 -1.724 10.636 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.548 -0.459 10.293 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.046 -0.538 9.343 1.00 0.17 H new ATOM 2352 N SER A 147 13.928 -0.016 8.895 1.00 0.18 N ATOM 2353 CA SER A 147 14.539 1.157 9.502 1.00 0.21 C ATOM 2354 C SER A 147 14.884 2.207 8.434 1.00 0.21 C ATOM 2355 O SER A 147 14.798 3.413 8.686 1.00 0.24 O ATOM 2356 CB SER A 147 15.770 0.739 10.307 1.00 0.25 C ATOM 2357 OG SER A 147 16.318 1.832 11.029 1.00 0.85 O ATOM 0 H SER A 147 14.469 -0.876 8.986 1.00 0.18 H new ATOM 0 HA SER A 147 13.827 1.620 10.186 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.499 -0.057 11.001 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.525 0.332 9.634 1.00 0.25 H new ATOM 0 HG SER A 147 17.102 1.530 11.534 1.00 0.85 H new ATOM 2363 N ARG A 148 15.241 1.742 7.238 1.00 0.20 N ATOM 2364 CA ARG A 148 15.491 2.619 6.100 1.00 0.21 C ATOM 2365 C ARG A 148 14.198 3.250 5.605 1.00 0.19 C ATOM 2366 O ARG A 148 14.088 4.466 5.519 1.00 0.27 O ATOM 2367 CB ARG A 148 16.120 1.839 4.951 1.00 0.23 C ATOM 2368 CG ARG A 148 17.603 1.562 5.084 1.00 0.29 C ATOM 2369 CD ARG A 148 18.430 2.838 5.056 1.00 0.43 C ATOM 2370 NE ARG A 148 18.456 3.512 6.354 1.00 1.22 N ATOM 2371 CZ ARG A 148 18.675 4.814 6.525 1.00 1.53 C ATOM 2372 NH1 ARG A 148 18.824 5.613 5.476 1.00 1.19 N ATOM 2373 NH2 ARG A 148 18.735 5.318 7.750 1.00 2.48 N ATOM 0 H ARG A 148 15.364 0.750 7.033 1.00 0.20 H new ATOM 0 HA ARG A 148 16.173 3.401 6.434 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.598 0.887 4.853 1.00 0.23 H new ATOM 0 HB3 ARG A 148 15.953 2.391 4.026 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.789 1.031 6.017 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.923 0.906 4.274 1.00 0.29 H new ATOM 0 HD2 ARG A 148 19.450 2.601 4.752 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.023 3.516 4.305 1.00 0.43 H new ATOM 0 HE ARG A 148 18.295 2.945 7.186 1.00 1.22 H new ATOM 0 HH11 ARG A 148 18.771 5.230 4.532 1.00 1.19 H new ATOM 0 HH12 ARG A 148 18.992 6.610 5.614 1.00 1.19 H new ATOM 0 HH21 ARG A 148 18.613 4.708 8.559 1.00 2.48 H new ATOM 0 HH22 ARG A 148 18.903 6.315 7.884 1.00 2.48 H new ATOM 2387 N GLY A 149 13.223 2.411 5.272 1.00 0.14 N ATOM 2388 CA GLY A 149 11.957 2.904 4.780 1.00 0.13 C ATOM 2389 C GLY A 149 11.314 3.860 5.754 1.00 0.15 C ATOM 2390 O GLY A 149 10.669 4.816 5.353 1.00 0.17 O ATOM 0 H GLY A 149 13.291 1.395 5.336 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.108 3.405 3.824 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.286 2.065 4.597 1.00 0.13 H new ATOM 2394 N ASN A 150 11.507 3.603 7.041 1.00 0.17 N ATOM 2395 CA ASN A 150 10.985 4.467 8.089 1.00 0.22 C ATOM 2396 C ASN A 150 11.521 5.900 7.964 1.00 0.23 C ATOM 2397 O ASN A 150 10.774 6.859 8.155 1.00 0.26 O ATOM 2398 CB ASN A 150 11.321 3.895 9.471 1.00 0.32 C ATOM 2399 CG ASN A 150 10.886 4.801 10.607 1.00 0.46 C ATOM 2400 OD1 ASN A 150 11.665 5.623 11.090 1.00 1.42 O ATOM 2401 ND2 ASN A 150 9.643 4.659 11.039 1.00 0.93 N ATOM 0 H ASN A 150 12.026 2.795 7.385 1.00 0.17 H new ATOM 0 HA ASN A 150 9.902 4.506 7.972 1.00 0.22 H new ATOM 0 HB2 ASN A 150 10.840 2.923 9.583 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.396 3.728 9.538 1.00 0.32 H new ATOM 0 HD21 ASN A 150 9.298 5.243 11.800 1.00 0.93 H new ATOM 0 HD22 ASN A 150 9.030 3.965 10.610 1.00 0.93 H new ATOM 2408 N THR A 151 12.805 6.054 7.631 1.00 0.23 N ATOM 2409 CA THR A 151 13.378 7.388 7.462 1.00 0.27 C ATOM 2410 C THR A 151 13.012 7.945 6.086 1.00 0.27 C ATOM 2411 O THR A 151 13.028 9.157 5.868 1.00 0.33 O ATOM 2412 CB THR A 151 14.916 7.415 7.665 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.382 8.770 7.735 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.651 6.698 6.546 1.00 0.27 C ATOM 0 H THR A 151 13.457 5.285 7.476 1.00 0.23 H new ATOM 0 HA THR A 151 12.950 8.020 8.240 1.00 0.27 H new ATOM 0 HB THR A 151 15.124 6.895 8.600 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.353 8.776 7.865 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.725 6.742 6.729 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.331 5.657 6.510 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.425 7.180 5.595 1.00 0.27 H new ATOM 2422 N GLU A 152 12.681 7.047 5.165 1.00 0.25 N ATOM 2423 CA GLU A 152 12.089 7.427 3.889 1.00 0.30 C ATOM 2424 C GLU A 152 10.621 7.800 4.101 1.00 0.28 C ATOM 2425 O GLU A 152 9.962 8.358 3.226 1.00 0.30 O ATOM 2426 CB GLU A 152 12.225 6.277 2.897 1.00 0.34 C ATOM 2427 CG GLU A 152 13.373 6.436 1.906 1.00 0.52 C ATOM 2428 CD GLU A 152 14.581 7.175 2.465 1.00 0.63 C ATOM 2429 OE1 GLU A 152 15.580 6.515 2.831 1.00 1.31 O ATOM 2430 OE2 GLU A 152 14.552 8.425 2.506 1.00 0.98 O ATOM 0 H GLU A 152 12.814 6.042 5.281 1.00 0.25 H new ATOM 0 HA GLU A 152 12.610 8.293 3.481 1.00 0.30 H new ATOM 0 HB2 GLU A 152 12.365 5.349 3.451 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.292 6.179 2.342 1.00 0.34 H new ATOM 0 HG2 GLU A 152 13.689 5.448 1.571 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.009 6.969 1.028 1.00 0.52 H new ATOM 2437 N GLY A 153 10.140 7.477 5.294 1.00 0.25 N ATOM 2438 CA GLY A 153 8.838 7.903 5.752 1.00 0.25 C ATOM 2439 C GLY A 153 7.803 6.793 5.803 1.00 0.21 C ATOM 2440 O GLY A 153 6.753 6.971 6.423 1.00 0.24 O ATOM 0 H GLY A 153 10.650 6.909 5.970 1.00 0.25 H new ATOM 0 HA2 GLY A 153 8.939 8.336 6.747 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.475 8.693 5.095 1.00 0.25 H new ATOM 2444 N ALA A 154 8.071 5.652 5.171 1.00 0.17 N ATOM 2445 CA ALA A 154 7.184 4.502 5.324 1.00 0.16 C ATOM 2446 C ALA A 154 7.921 3.171 5.321 1.00 0.14 C ATOM 2447 O ALA A 154 8.645 2.851 4.378 1.00 0.15 O ATOM 2448 CB ALA A 154 6.134 4.495 4.244 1.00 0.19 C ATOM 0 H ALA A 154 8.875 5.500 4.562 1.00 0.17 H new ATOM 0 HA ALA A 154 6.715 4.611 6.302 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.483 3.631 4.375 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.542 5.408 4.306 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.616 4.441 3.268 1.00 0.19 H new ATOM 2454 N SER A 155 7.702 2.384 6.354 1.00 0.15 N ATOM 2455 CA SER A 155 8.094 0.988 6.345 1.00 0.16 C ATOM 2456 C SER A 155 7.087 0.130 7.099 1.00 0.15 C ATOM 2457 O SER A 155 6.330 0.630 7.929 1.00 0.19 O ATOM 2458 CB SER A 155 9.467 0.829 6.957 1.00 0.23 C ATOM 2459 OG SER A 155 9.560 1.530 8.183 1.00 1.42 O ATOM 0 H SER A 155 7.251 2.689 7.217 1.00 0.15 H new ATOM 0 HA SER A 155 8.121 0.652 5.309 1.00 0.16 H new ATOM 0 HB2 SER A 155 9.675 -0.228 7.122 1.00 0.23 H new ATOM 0 HB3 SER A 155 10.223 1.199 6.264 1.00 0.23 H new ATOM 0 HG SER A 155 10.448 1.390 8.573 1.00 1.42 H new ATOM 2465 N ILE A 156 7.079 -1.156 6.788 1.00 0.14 N ATOM 2466 CA ILE A 156 6.184 -2.103 7.429 1.00 0.15 C ATOM 2467 C ILE A 156 6.773 -3.513 7.338 1.00 0.15 C ATOM 2468 O ILE A 156 6.985 -4.037 6.249 1.00 0.17 O ATOM 2469 CB ILE A 156 4.775 -2.042 6.787 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.848 -3.083 7.409 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.849 -2.227 5.278 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.409 -2.928 6.979 1.00 0.28 C ATOM 0 H ILE A 156 7.691 -1.571 6.086 1.00 0.14 H new ATOM 0 HA ILE A 156 6.078 -1.839 8.481 1.00 0.15 H new ATOM 0 HB ILE A 156 4.363 -1.053 6.986 1.00 0.18 H new ATOM 0 HG12 ILE A 156 4.197 -4.079 7.138 1.00 0.21 H new ATOM 0 HG13 ILE A 156 3.906 -3.010 8.495 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.845 -2.179 4.856 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.463 -1.438 4.844 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.292 -3.197 5.052 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.802 -3.698 7.456 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.045 -1.944 7.274 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.340 -3.030 5.896 1.00 0.28 H new ATOM 2484 N SER A 157 7.066 -4.122 8.472 1.00 0.16 N ATOM 2485 CA SER A 157 7.740 -5.413 8.476 1.00 0.19 C ATOM 2486 C SER A 157 6.933 -6.478 9.209 1.00 0.20 C ATOM 2487 O SER A 157 6.219 -6.179 10.166 1.00 0.34 O ATOM 2488 CB SER A 157 9.142 -5.270 9.073 1.00 0.34 C ATOM 2489 OG SER A 157 9.921 -4.397 8.285 1.00 1.44 O ATOM 0 H SER A 157 6.851 -3.750 9.397 1.00 0.16 H new ATOM 0 HA SER A 157 7.831 -5.748 7.443 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.074 -4.889 10.092 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.622 -6.247 9.130 1.00 0.34 H new ATOM 0 HG SER A 157 10.835 -4.745 8.217 1.00 1.44 H new ATOM 2495 N PHE A 158 7.021 -7.711 8.719 1.00 0.20 N ATOM 2496 CA PHE A 158 6.375 -8.850 9.362 1.00 0.32 C ATOM 2497 C PHE A 158 6.977 -9.089 10.740 1.00 0.74 C ATOM 2498 O PHE A 158 6.365 -8.673 11.741 1.00 1.33 O ATOM 2499 CB PHE A 158 6.535 -10.111 8.507 1.00 0.97 C ATOM 2500 CG PHE A 158 5.370 -10.410 7.604 1.00 1.03 C ATOM 2501 CD1 PHE A 158 5.163 -9.692 6.437 1.00 0.97 C ATOM 2502 CD2 PHE A 158 4.487 -11.431 7.922 1.00 1.42 C ATOM 2503 CE1 PHE A 158 4.094 -9.988 5.606 1.00 1.38 C ATOM 2504 CE2 PHE A 158 3.419 -11.728 7.098 1.00 1.81 C ATOM 2505 CZ PHE A 158 3.224 -11.006 5.938 1.00 1.81 C ATOM 2506 OXT PHE A 158 8.079 -9.674 10.812 1.00 1.62 O ATOM 0 H PHE A 158 7.538 -7.948 7.872 1.00 0.20 H new ATOM 0 HA PHE A 158 5.314 -8.626 9.468 1.00 0.32 H new ATOM 0 HB2 PHE A 158 7.433 -10.009 7.897 1.00 0.97 H new ATOM 0 HB3 PHE A 158 6.694 -10.964 9.167 1.00 0.97 H new ATOM 0 HD1 PHE A 158 5.841 -8.894 6.172 1.00 0.97 H new ATOM 0 HD2 PHE A 158 4.637 -12.002 8.827 1.00 1.42 H new ATOM 0 HE1 PHE A 158 3.942 -9.422 4.699 1.00 1.38 H new ATOM 0 HE2 PHE A 158 2.738 -12.524 7.361 1.00 1.81 H new ATOM 0 HZ PHE A 158 2.391 -11.238 5.291 1.00 1.81 H new TER 2516 PHE A 158