USER MOD reduce.3.24.130724 H: found=0, std=0, add=1087, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1085 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 12 LYS NZ :NH3+ -162:sc= 1.11 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 1.34 K(o=2.5,f=-7.2!) USER MOD Set 2.1: A 80 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.7!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 TYR OH : rot 155:sc= 1.21 USER MOD Set 3.2: A 97 THR OG1 : rot 128:sc= 2.3 USER MOD Single : A 5 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.2!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.816 K(o=0.82,f=-6.4!) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.135 F(o=-1.1,f=-0.13) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.493 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 44:sc= 0.715 USER MOD Single : A 58 GLN :FLIP amide:sc= 0.496 F(o=-0.025,f=0.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 130:sc= -1.45 USER MOD Single : A 87 CYS SG : rot 88:sc= -1.86! USER MOD Single : A 93 LYS NZ :NH3+ 144:sc= -0.448 (180deg=-0.654) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.0507 X(o=-0.051,f=-0.28) USER MOD Single : A 107 HIS : no HD1:sc= 0.545 K(o=0.55,f=-2!) USER MOD Single : A 112 THR OG1 : rot 64:sc= 1.12 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 117 LYS NZ :NH3+ 156:sc= -0.0455 (180deg=-0.401) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 11:sc= 0.725 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 122 SER OG : rot 180:sc= 0.00297 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0.102 USER MOD Single : A 129 SER OG : rot 45:sc= 0.836 USER MOD Single : A 131 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0702) USER MOD Single : A 134 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.6!) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -1.681 -8.057 -18.879 1.00 13.00 N ATOM 2 CA GLY A 2 -2.318 -7.722 -17.620 1.00 45.03 C ATOM 3 C GLY A 2 -2.363 -6.227 -17.373 1.00 42.23 C ATOM 4 O GLY A 2 -3.008 -5.487 -18.116 1.00 34.30 O ATOM 0 HA2 GLY A 2 -3.333 -8.119 -17.613 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -1.781 -8.206 -16.804 1.00 45.03 H new ATOM 8 N ALA A 3 -1.678 -5.781 -16.324 1.00 12.02 N ATOM 9 CA ALA A 3 -1.642 -4.365 -15.982 1.00 71.51 C ATOM 10 C ALA A 3 -0.321 -3.996 -15.316 1.00 55.31 C ATOM 11 O ALA A 3 -0.061 -4.380 -14.175 1.00 63.11 O ATOM 12 CB ALA A 3 -2.810 -4.012 -15.073 1.00 35.33 C ATOM 0 H ALA A 3 -1.141 -6.380 -15.697 1.00 12.02 H new ATOM 0 HA ALA A 3 -1.727 -3.791 -16.904 1.00 71.51 H new ATOM 0 HB1 ALA A 3 -2.771 -2.951 -14.825 1.00 35.33 H new ATOM 0 HB2 ALA A 3 -3.748 -4.231 -15.584 1.00 35.33 H new ATOM 0 HB3 ALA A 3 -2.750 -4.601 -14.158 1.00 35.33 H new ATOM 18 N ARG A 4 0.510 -3.248 -16.035 1.00 75.21 N ATOM 19 CA ARG A 4 1.806 -2.829 -15.513 1.00 45.35 C ATOM 20 C ARG A 4 1.878 -1.308 -15.397 1.00 12.15 C ATOM 21 O ARG A 4 1.637 -0.591 -16.367 1.00 44.21 O ATOM 22 CB ARG A 4 2.932 -3.336 -16.415 1.00 22.33 C ATOM 23 CG ARG A 4 2.817 -4.812 -16.759 1.00 21.34 C ATOM 24 CD ARG A 4 2.629 -5.023 -18.253 1.00 21.21 C ATOM 25 NE ARG A 4 1.247 -4.799 -18.667 1.00 32.15 N ATOM 26 CZ ARG A 4 0.883 -4.580 -19.926 1.00 15.45 C ATOM 27 NH1 ARG A 4 1.795 -4.555 -20.889 1.00 41.24 N ATOM 28 NH2 ARG A 4 -0.394 -4.384 -20.225 1.00 23.33 N ATOM 0 H ARG A 4 0.309 -2.920 -16.980 1.00 75.21 H new ATOM 0 HA ARG A 4 1.926 -3.259 -14.519 1.00 45.35 H new ATOM 0 HB2 ARG A 4 2.937 -2.756 -17.338 1.00 22.33 H new ATOM 0 HB3 ARG A 4 3.888 -3.160 -15.923 1.00 22.33 H new ATOM 0 HG2 ARG A 4 3.714 -5.335 -16.427 1.00 21.34 H new ATOM 0 HG3 ARG A 4 1.976 -5.248 -16.220 1.00 21.34 H new ATOM 0 HD2 ARG A 4 3.286 -4.347 -18.800 1.00 21.21 H new ATOM 0 HD3 ARG A 4 2.926 -6.038 -18.516 1.00 21.21 H new ATOM 0 HE ARG A 4 0.521 -4.811 -17.951 1.00 32.15 H new ATOM 0 HH11 ARG A 4 2.779 -4.704 -20.664 1.00 41.24 H new ATOM 0 HH12 ARG A 4 1.513 -4.387 -21.855 1.00 41.24 H new ATOM 0 HH21 ARG A 4 -1.099 -4.401 -19.488 1.00 23.33 H new ATOM 0 HH22 ARG A 4 -0.671 -4.216 -21.192 1.00 23.33 H new ATOM 42 N ASN A 5 2.212 -0.826 -14.205 1.00 41.23 N ATOM 43 CA ASN A 5 2.315 0.608 -13.963 1.00 75.05 C ATOM 44 C ASN A 5 3.494 0.921 -13.045 1.00 12.13 C ATOM 45 O ASN A 5 3.342 1.600 -12.031 1.00 70.21 O ATOM 46 CB ASN A 5 1.020 1.137 -13.343 1.00 2.23 C ATOM 47 CG ASN A 5 0.758 2.587 -13.700 1.00 3.03 C ATOM 48 OD1 ASN A 5 1.078 3.034 -14.802 1.00 42.10 O ATOM 49 ND2 ASN A 5 0.174 3.330 -12.767 1.00 72.21 N ATOM 0 H ASN A 5 2.416 -1.407 -13.392 1.00 41.23 H new ATOM 0 HA ASN A 5 2.480 1.101 -14.921 1.00 75.05 H new ATOM 0 HB2 ASN A 5 0.183 0.526 -13.680 1.00 2.23 H new ATOM 0 HB3 ASN A 5 1.072 1.036 -12.259 1.00 2.23 H new ATOM 0 HD21 ASN A 5 -0.027 4.313 -12.950 1.00 72.21 H new ATOM 0 HD22 ASN A 5 -0.074 2.917 -11.868 1.00 72.21 H new ATOM 56 N SER A 6 4.670 0.422 -13.412 1.00 53.32 N ATOM 57 CA SER A 6 5.875 0.646 -12.622 1.00 54.12 C ATOM 58 C SER A 6 6.905 1.445 -13.416 1.00 70.24 C ATOM 59 O SER A 6 7.464 0.956 -14.397 1.00 50.22 O ATOM 60 CB SER A 6 6.478 -0.690 -12.183 1.00 35.31 C ATOM 61 OG SER A 6 6.049 -1.745 -13.027 1.00 71.45 O ATOM 0 H SER A 6 4.814 -0.140 -14.251 1.00 53.32 H new ATOM 0 HA SER A 6 5.598 1.220 -11.738 1.00 54.12 H new ATOM 0 HB2 SER A 6 7.566 -0.625 -12.201 1.00 35.31 H new ATOM 0 HB3 SER A 6 6.188 -0.903 -11.154 1.00 35.31 H new ATOM 0 HG SER A 6 6.449 -2.588 -12.727 1.00 71.45 H new ATOM 67 N VAL A 7 7.150 2.677 -12.982 1.00 50.12 N ATOM 68 CA VAL A 7 8.113 3.545 -13.649 1.00 31.31 C ATOM 69 C VAL A 7 9.518 3.332 -13.099 1.00 11.30 C ATOM 70 O VAL A 7 10.450 3.026 -13.844 1.00 2.44 O ATOM 71 CB VAL A 7 7.732 5.029 -13.496 1.00 73.23 C ATOM 72 CG1 VAL A 7 8.709 5.913 -14.254 1.00 14.03 C ATOM 73 CG2 VAL A 7 6.307 5.265 -13.972 1.00 44.12 C ATOM 0 H VAL A 7 6.695 3.097 -12.171 1.00 50.12 H new ATOM 0 HA VAL A 7 8.097 3.282 -14.707 1.00 31.31 H new ATOM 0 HB VAL A 7 7.786 5.292 -12.440 1.00 73.23 H new ATOM 0 HG11 VAL A 7 8.423 6.958 -14.134 1.00 14.03 H new ATOM 0 HG12 VAL A 7 9.715 5.764 -13.861 1.00 14.03 H new ATOM 0 HG13 VAL A 7 8.691 5.651 -15.312 1.00 14.03 H new ATOM 0 HG21 VAL A 7 6.055 6.319 -13.857 1.00 44.12 H new ATOM 0 HG22 VAL A 7 6.223 4.985 -15.022 1.00 44.12 H new ATOM 0 HG23 VAL A 7 5.621 4.661 -13.379 1.00 44.12 H new ATOM 83 N LEU A 8 9.666 3.495 -11.789 1.00 4.52 N ATOM 84 CA LEU A 8 10.959 3.322 -11.137 1.00 71.23 C ATOM 85 C LEU A 8 10.891 2.227 -10.076 1.00 64.33 C ATOM 86 O LEU A 8 10.047 2.268 -9.181 1.00 24.00 O ATOM 87 CB LEU A 8 11.413 4.636 -10.500 1.00 42.14 C ATOM 88 CG LEU A 8 11.737 5.774 -11.469 1.00 61.51 C ATOM 89 CD1 LEU A 8 12.302 6.970 -10.718 1.00 52.21 C ATOM 90 CD2 LEU A 8 12.713 5.303 -12.537 1.00 72.52 C ATOM 0 H LEU A 8 8.906 3.747 -11.157 1.00 4.52 H new ATOM 0 HA LEU A 8 11.683 3.025 -11.896 1.00 71.23 H new ATOM 0 HB2 LEU A 8 10.632 4.976 -9.820 1.00 42.14 H new ATOM 0 HB3 LEU A 8 12.298 4.437 -9.895 1.00 42.14 H new ATOM 0 HG LEU A 8 10.814 6.082 -11.959 1.00 61.51 H new ATOM 0 HD11 LEU A 8 12.527 7.770 -11.424 1.00 52.21 H new ATOM 0 HD12 LEU A 8 11.570 7.322 -9.991 1.00 52.21 H new ATOM 0 HD13 LEU A 8 13.215 6.676 -10.200 1.00 52.21 H new ATOM 0 HD21 LEU A 8 12.932 6.126 -13.218 1.00 72.52 H new ATOM 0 HD22 LEU A 8 13.636 4.968 -12.064 1.00 72.52 H new ATOM 0 HD23 LEU A 8 12.271 4.478 -13.095 1.00 72.52 H new ATOM 102 N ARG A 9 11.786 1.251 -10.182 1.00 10.25 N ATOM 103 CA ARG A 9 11.828 0.146 -9.233 1.00 60.44 C ATOM 104 C ARG A 9 12.549 0.556 -7.952 1.00 51.23 C ATOM 105 O ARG A 9 12.842 1.733 -7.743 1.00 23.30 O ATOM 106 CB ARG A 9 12.523 -1.066 -9.856 1.00 11.24 C ATOM 107 CG ARG A 9 13.997 -0.837 -10.150 1.00 23.14 C ATOM 108 CD ARG A 9 14.438 -1.583 -11.400 1.00 51.54 C ATOM 109 NE ARG A 9 15.813 -2.063 -11.293 1.00 32.45 N ATOM 110 CZ ARG A 9 16.168 -3.122 -10.574 1.00 73.11 C ATOM 111 NH1 ARG A 9 15.254 -3.808 -9.902 1.00 51.44 N ATOM 112 NH2 ARG A 9 17.441 -3.498 -10.527 1.00 5.55 N ATOM 0 H ARG A 9 12.492 1.203 -10.916 1.00 10.25 H new ATOM 0 HA ARG A 9 10.802 -0.122 -8.983 1.00 60.44 H new ATOM 0 HB2 ARG A 9 12.423 -1.917 -9.183 1.00 11.24 H new ATOM 0 HB3 ARG A 9 12.013 -1.331 -10.782 1.00 11.24 H new ATOM 0 HG2 ARG A 9 14.182 0.230 -10.277 1.00 23.14 H new ATOM 0 HG3 ARG A 9 14.594 -1.165 -9.299 1.00 23.14 H new ATOM 0 HD2 ARG A 9 13.771 -2.428 -11.572 1.00 51.54 H new ATOM 0 HD3 ARG A 9 14.350 -0.926 -12.265 1.00 51.54 H new ATOM 0 HE ARG A 9 16.541 -1.557 -11.798 1.00 32.45 H new ATOM 0 HH11 ARG A 9 14.275 -3.523 -9.936 1.00 51.44 H new ATOM 0 HH12 ARG A 9 15.530 -4.621 -9.351 1.00 51.44 H new ATOM 0 HH21 ARG A 9 18.147 -2.973 -11.043 1.00 5.55 H new ATOM 0 HH22 ARG A 9 17.712 -4.311 -9.975 1.00 5.55 H new ATOM 126 N GLY A 10 12.833 -0.423 -7.098 1.00 10.41 N ATOM 127 CA GLY A 10 13.517 -0.142 -5.850 1.00 55.04 C ATOM 128 C GLY A 10 14.931 0.362 -6.063 1.00 21.13 C ATOM 129 O GLY A 10 15.364 1.314 -5.414 1.00 33.00 O ATOM 0 H GLY A 10 12.602 -1.405 -7.248 1.00 10.41 H new ATOM 0 HA2 GLY A 10 12.951 0.601 -5.288 1.00 55.04 H new ATOM 0 HA3 GLY A 10 13.545 -1.047 -5.243 1.00 55.04 H new ATOM 133 N LYS A 11 15.655 -0.279 -6.975 1.00 64.44 N ATOM 134 CA LYS A 11 17.028 0.108 -7.273 1.00 52.14 C ATOM 135 C LYS A 11 17.067 1.417 -8.055 1.00 1.41 C ATOM 136 O LYS A 11 18.003 2.205 -7.921 1.00 61.03 O ATOM 137 CB LYS A 11 17.730 -0.995 -8.069 1.00 25.03 C ATOM 138 CG LYS A 11 18.987 -1.523 -7.401 1.00 63.44 C ATOM 139 CD LYS A 11 18.760 -2.897 -6.794 1.00 72.40 C ATOM 140 CE LYS A 11 20.075 -3.569 -6.428 1.00 22.35 C ATOM 141 NZ LYS A 11 20.673 -2.984 -5.197 1.00 14.13 N ATOM 0 H LYS A 11 15.312 -1.070 -7.521 1.00 64.44 H new ATOM 0 HA LYS A 11 17.551 0.254 -6.328 1.00 52.14 H new ATOM 0 HB2 LYS A 11 17.035 -1.821 -8.220 1.00 25.03 H new ATOM 0 HB3 LYS A 11 17.987 -0.611 -9.056 1.00 25.03 H new ATOM 0 HG2 LYS A 11 19.794 -1.576 -8.132 1.00 63.44 H new ATOM 0 HG3 LYS A 11 19.306 -0.829 -6.624 1.00 63.44 H new ATOM 0 HD2 LYS A 11 18.137 -2.804 -5.904 1.00 72.40 H new ATOM 0 HD3 LYS A 11 18.215 -3.523 -7.501 1.00 72.40 H new ATOM 0 HE2 LYS A 11 19.908 -4.636 -6.279 1.00 22.35 H new ATOM 0 HE3 LYS A 11 20.777 -3.468 -7.256 1.00 22.35 H new ATOM 0 HZ1 LYS A 11 21.567 -3.469 -4.981 1.00 14.13 H new ATOM 0 HZ2 LYS A 11 20.856 -1.971 -5.347 1.00 14.13 H new ATOM 0 HZ3 LYS A 11 20.014 -3.103 -4.401 1.00 14.13 H new ATOM 155 N LYS A 12 16.042 1.644 -8.870 1.00 14.34 N ATOM 156 CA LYS A 12 15.957 2.859 -9.672 1.00 43.35 C ATOM 157 C LYS A 12 15.543 4.050 -8.813 1.00 23.33 C ATOM 158 O LYS A 12 16.033 5.162 -9.000 1.00 43.25 O ATOM 159 CB LYS A 12 14.959 2.670 -10.817 1.00 70.11 C ATOM 160 CG LYS A 12 15.489 1.806 -11.948 1.00 10.31 C ATOM 161 CD LYS A 12 14.577 1.858 -13.163 1.00 1.40 C ATOM 162 CE LYS A 12 15.166 1.090 -14.336 1.00 63.14 C ATOM 163 NZ LYS A 12 14.174 0.900 -15.429 1.00 62.31 N ATOM 0 H LYS A 12 15.259 1.002 -8.992 1.00 14.34 H new ATOM 0 HA LYS A 12 16.944 3.060 -10.088 1.00 43.35 H new ATOM 0 HB2 LYS A 12 14.048 2.220 -10.423 1.00 70.11 H new ATOM 0 HB3 LYS A 12 14.686 3.647 -11.215 1.00 70.11 H new ATOM 0 HG2 LYS A 12 16.488 2.142 -12.227 1.00 10.31 H new ATOM 0 HG3 LYS A 12 15.583 0.775 -11.606 1.00 10.31 H new ATOM 0 HD2 LYS A 12 13.603 1.441 -12.906 1.00 1.40 H new ATOM 0 HD3 LYS A 12 14.413 2.896 -13.452 1.00 1.40 H new ATOM 0 HE2 LYS A 12 16.033 1.626 -14.722 1.00 63.14 H new ATOM 0 HE3 LYS A 12 15.519 0.117 -13.993 1.00 63.14 H new ATOM 0 HZ1 LYS A 12 14.492 0.135 -16.058 1.00 62.31 H new ATOM 0 HZ2 LYS A 12 13.251 0.650 -15.020 1.00 62.31 H new ATOM 0 HZ3 LYS A 12 14.085 1.781 -15.974 1.00 62.31 H new ATOM 177 N ALA A 13 14.637 3.807 -7.870 1.00 54.11 N ATOM 178 CA ALA A 13 14.160 4.858 -6.981 1.00 73.22 C ATOM 179 C ALA A 13 15.323 5.575 -6.303 1.00 74.31 C ATOM 180 O ALA A 13 15.321 6.799 -6.177 1.00 70.01 O ATOM 181 CB ALA A 13 13.215 4.278 -5.938 1.00 60.21 C ATOM 0 H ALA A 13 14.220 2.891 -7.703 1.00 54.11 H new ATOM 0 HA ALA A 13 13.618 5.589 -7.581 1.00 73.22 H new ATOM 0 HB1 ALA A 13 12.866 5.074 -5.280 1.00 60.21 H new ATOM 0 HB2 ALA A 13 12.361 3.818 -6.436 1.00 60.21 H new ATOM 0 HB3 ALA A 13 13.740 3.525 -5.350 1.00 60.21 H new ATOM 187 N ASP A 14 16.314 4.804 -5.869 1.00 75.35 N ATOM 188 CA ASP A 14 17.484 5.364 -5.204 1.00 1.55 C ATOM 189 C ASP A 14 18.183 6.382 -6.101 1.00 11.55 C ATOM 190 O ASP A 14 18.346 7.543 -5.728 1.00 22.42 O ATOM 191 CB ASP A 14 18.460 4.252 -4.817 1.00 2.12 C ATOM 192 CG ASP A 14 19.015 4.430 -3.418 1.00 0.50 C ATOM 193 OD1 ASP A 14 19.229 5.590 -3.008 1.00 31.10 O ATOM 194 OD2 ASP A 14 19.238 3.409 -2.733 1.00 50.41 O ATOM 0 H ASP A 14 16.330 3.789 -5.966 1.00 75.35 H new ATOM 0 HA ASP A 14 17.148 5.872 -4.300 1.00 1.55 H new ATOM 0 HB2 ASP A 14 17.954 3.289 -4.884 1.00 2.12 H new ATOM 0 HB3 ASP A 14 19.283 4.230 -5.531 1.00 2.12 H new ATOM 199 N GLU A 15 18.594 5.936 -7.284 1.00 55.31 N ATOM 200 CA GLU A 15 19.278 6.808 -8.233 1.00 64.02 C ATOM 201 C GLU A 15 18.524 8.124 -8.401 1.00 1.43 C ATOM 202 O GLU A 15 19.131 9.191 -8.515 1.00 32.34 O ATOM 203 CB GLU A 15 19.420 6.112 -9.588 1.00 0.32 C ATOM 204 CG GLU A 15 20.763 5.431 -9.784 1.00 72.14 C ATOM 205 CD GLU A 15 20.671 4.201 -10.666 1.00 51.12 C ATOM 206 OE1 GLU A 15 20.078 4.301 -11.761 1.00 13.15 O ATOM 207 OE2 GLU A 15 21.190 3.140 -10.262 1.00 62.43 O ATOM 0 H GLU A 15 18.466 4.977 -7.608 1.00 55.31 H new ATOM 0 HA GLU A 15 20.271 7.025 -7.839 1.00 64.02 H new ATOM 0 HB2 GLU A 15 18.628 5.371 -9.691 1.00 0.32 H new ATOM 0 HB3 GLU A 15 19.275 6.846 -10.381 1.00 0.32 H new ATOM 0 HG2 GLU A 15 21.464 6.139 -10.226 1.00 72.14 H new ATOM 0 HG3 GLU A 15 21.167 5.147 -8.812 1.00 72.14 H new ATOM 214 N LEU A 16 17.198 8.043 -8.417 1.00 31.24 N ATOM 215 CA LEU A 16 16.360 9.226 -8.573 1.00 42.51 C ATOM 216 C LEU A 16 16.550 10.186 -7.402 1.00 71.20 C ATOM 217 O LEU A 16 16.873 11.357 -7.594 1.00 52.42 O ATOM 218 CB LEU A 16 14.889 8.823 -8.683 1.00 13.32 C ATOM 219 CG LEU A 16 13.916 9.936 -9.075 1.00 70.02 C ATOM 220 CD1 LEU A 16 13.636 10.843 -7.886 1.00 2.22 C ATOM 221 CD2 LEU A 16 14.467 10.740 -10.243 1.00 30.31 C ATOM 0 H LEU A 16 16.680 7.169 -8.324 1.00 31.24 H new ATOM 0 HA LEU A 16 16.660 9.735 -9.489 1.00 42.51 H new ATOM 0 HB2 LEU A 16 14.807 8.021 -9.416 1.00 13.32 H new ATOM 0 HB3 LEU A 16 14.573 8.412 -7.724 1.00 13.32 H new ATOM 0 HG LEU A 16 12.977 9.478 -9.386 1.00 70.02 H new ATOM 0 HD11 LEU A 16 12.942 11.629 -8.183 1.00 2.22 H new ATOM 0 HD12 LEU A 16 13.197 10.258 -7.078 1.00 2.22 H new ATOM 0 HD13 LEU A 16 14.568 11.293 -7.544 1.00 2.22 H new ATOM 0 HD21 LEU A 16 13.761 11.527 -10.508 1.00 30.31 H new ATOM 0 HD22 LEU A 16 15.420 11.187 -9.960 1.00 30.31 H new ATOM 0 HD23 LEU A 16 14.615 10.082 -11.100 1.00 30.31 H new ATOM 233 N GLU A 17 16.349 9.678 -6.189 1.00 22.02 N ATOM 234 CA GLU A 17 16.500 10.490 -4.988 1.00 42.12 C ATOM 235 C GLU A 17 17.948 10.938 -4.812 1.00 51.24 C ATOM 236 O GLU A 17 18.227 11.909 -4.107 1.00 13.04 O ATOM 237 CB GLU A 17 16.043 9.707 -3.755 1.00 0.45 C ATOM 238 CG GLU A 17 15.188 10.521 -2.800 1.00 64.55 C ATOM 239 CD GLU A 17 15.100 9.897 -1.420 1.00 44.31 C ATOM 240 OE1 GLU A 17 16.006 9.116 -1.065 1.00 75.41 O ATOM 241 OE2 GLU A 17 14.126 10.191 -0.696 1.00 31.30 O ATOM 0 H GLU A 17 16.082 8.709 -6.013 1.00 22.02 H new ATOM 0 HA GLU A 17 15.875 11.376 -5.099 1.00 42.12 H new ATOM 0 HB2 GLU A 17 15.479 8.832 -4.079 1.00 0.45 H new ATOM 0 HB3 GLU A 17 16.920 9.341 -3.222 1.00 0.45 H new ATOM 0 HG2 GLU A 17 15.601 11.526 -2.715 1.00 64.55 H new ATOM 0 HG3 GLU A 17 14.185 10.623 -3.213 1.00 64.55 H new ATOM 248 N ARG A 18 18.865 10.224 -5.457 1.00 43.54 N ATOM 249 CA ARG A 18 20.284 10.546 -5.371 1.00 3.12 C ATOM 250 C ARG A 18 20.610 11.789 -6.194 1.00 60.45 C ATOM 251 O ARG A 18 21.513 12.553 -5.851 1.00 53.24 O ATOM 252 CB ARG A 18 21.127 9.365 -5.855 1.00 72.13 C ATOM 253 CG ARG A 18 22.546 9.367 -5.312 1.00 61.54 C ATOM 254 CD ARG A 18 22.762 8.239 -4.314 1.00 11.51 C ATOM 255 NE ARG A 18 21.799 8.287 -3.217 1.00 0.42 N ATOM 256 CZ ARG A 18 21.880 7.523 -2.134 1.00 53.13 C ATOM 257 NH1 ARG A 18 22.876 6.657 -2.002 1.00 24.14 N ATOM 258 NH2 ARG A 18 20.965 7.624 -1.178 1.00 11.05 N ATOM 0 H ARG A 18 18.650 9.419 -6.045 1.00 43.54 H new ATOM 0 HA ARG A 18 20.522 10.750 -4.327 1.00 3.12 H new ATOM 0 HB2 ARG A 18 20.637 8.436 -5.564 1.00 72.13 H new ATOM 0 HB3 ARG A 18 21.164 9.378 -6.944 1.00 72.13 H new ATOM 0 HG2 ARG A 18 23.252 9.266 -6.136 1.00 61.54 H new ATOM 0 HG3 ARG A 18 22.752 10.324 -4.832 1.00 61.54 H new ATOM 0 HD2 ARG A 18 22.680 7.281 -4.827 1.00 11.51 H new ATOM 0 HD3 ARG A 18 23.773 8.300 -3.912 1.00 11.51 H new ATOM 0 HE ARG A 18 21.021 8.944 -3.287 1.00 0.42 H new ATOM 0 HH11 ARG A 18 23.582 6.577 -2.734 1.00 24.14 H new ATOM 0 HH12 ARG A 18 22.936 6.071 -1.169 1.00 24.14 H new ATOM 0 HH21 ARG A 18 20.198 8.289 -1.274 1.00 11.05 H new ATOM 0 HH22 ARG A 18 21.029 7.036 -0.347 1.00 11.05 H new ATOM 272 N ILE A 19 19.870 11.984 -7.280 1.00 63.33 N ATOM 273 CA ILE A 19 20.081 13.134 -8.151 1.00 41.30 C ATOM 274 C ILE A 19 19.550 14.412 -7.511 1.00 5.34 C ATOM 275 O ILE A 19 18.503 14.406 -6.862 1.00 33.23 O ATOM 276 CB ILE A 19 19.401 12.936 -9.519 1.00 43.13 C ATOM 277 CG1 ILE A 19 19.958 11.693 -10.214 1.00 62.42 C ATOM 278 CG2 ILE A 19 19.595 14.168 -10.389 1.00 5.51 C ATOM 279 CD1 ILE A 19 18.919 10.924 -11.000 1.00 31.21 C ATOM 0 H ILE A 19 19.119 11.361 -7.578 1.00 63.33 H new ATOM 0 HA ILE A 19 21.157 13.225 -8.300 1.00 41.30 H new ATOM 0 HB ILE A 19 18.332 12.792 -9.360 1.00 43.13 H new ATOM 0 HG12 ILE A 19 20.762 11.992 -10.886 1.00 62.42 H new ATOM 0 HG13 ILE A 19 20.397 11.034 -9.465 1.00 62.42 H new ATOM 0 HG21 ILE A 19 19.109 14.013 -11.352 1.00 5.51 H new ATOM 0 HG22 ILE A 19 19.155 15.035 -9.896 1.00 5.51 H new ATOM 0 HG23 ILE A 19 20.660 14.340 -10.543 1.00 5.51 H new ATOM 0 HD11 ILE A 19 19.385 10.056 -11.466 1.00 31.21 H new ATOM 0 HD12 ILE A 19 18.126 10.594 -10.329 1.00 31.21 H new ATOM 0 HD13 ILE A 19 18.497 11.567 -11.772 1.00 31.21 H new ATOM 291 N ARG A 20 20.275 15.509 -7.701 1.00 15.44 N ATOM 292 CA ARG A 20 19.877 16.795 -7.144 1.00 41.54 C ATOM 293 C ARG A 20 19.211 17.665 -8.205 1.00 24.11 C ATOM 294 O ARG A 20 19.612 17.659 -9.369 1.00 15.32 O ATOM 295 CB ARG A 20 21.092 17.522 -6.563 1.00 3.24 C ATOM 296 CG ARG A 20 22.322 17.463 -7.455 1.00 24.43 C ATOM 297 CD ARG A 20 23.370 16.514 -6.897 1.00 1.34 C ATOM 298 NE ARG A 20 24.022 17.056 -5.709 1.00 44.31 N ATOM 299 CZ ARG A 20 24.981 17.975 -5.751 1.00 4.14 C ATOM 300 NH1 ARG A 20 25.397 18.451 -6.918 1.00 61.23 N ATOM 301 NH2 ARG A 20 25.526 18.419 -4.626 1.00 11.53 N ATOM 0 H ARG A 20 21.142 15.532 -8.237 1.00 15.44 H new ATOM 0 HA ARG A 20 19.157 16.609 -6.347 1.00 41.54 H new ATOM 0 HB2 ARG A 20 20.831 18.566 -6.388 1.00 3.24 H new ATOM 0 HB3 ARG A 20 21.336 17.087 -5.594 1.00 3.24 H new ATOM 0 HG2 ARG A 20 22.032 17.140 -8.455 1.00 24.43 H new ATOM 0 HG3 ARG A 20 22.749 18.461 -7.554 1.00 24.43 H new ATOM 0 HD2 ARG A 20 22.902 15.561 -6.650 1.00 1.34 H new ATOM 0 HD3 ARG A 20 24.120 16.312 -7.662 1.00 1.34 H new ATOM 0 HE ARG A 20 23.725 16.710 -4.796 1.00 44.31 H new ATOM 0 HH11 ARG A 20 24.980 18.111 -7.785 1.00 61.23 H new ATOM 0 HH12 ARG A 20 26.133 19.156 -6.948 1.00 61.23 H new ATOM 0 HH21 ARG A 20 25.209 18.055 -3.727 1.00 11.53 H new ATOM 0 HH22 ARG A 20 26.262 19.124 -4.660 1.00 11.53 H new ATOM 315 N LEU A 21 18.190 18.411 -7.796 1.00 31.23 N ATOM 316 CA LEU A 21 17.467 19.286 -8.712 1.00 0.53 C ATOM 317 C LEU A 21 18.386 20.366 -9.274 1.00 44.13 C ATOM 318 O LEU A 21 18.299 20.719 -10.450 1.00 4.34 O ATOM 319 CB LEU A 21 16.278 19.933 -7.999 1.00 33.31 C ATOM 320 CG LEU A 21 15.071 19.027 -7.752 1.00 64.20 C ATOM 321 CD1 LEU A 21 14.461 19.311 -6.387 1.00 1.12 C ATOM 322 CD2 LEU A 21 14.033 19.209 -8.849 1.00 13.35 C ATOM 0 H LEU A 21 17.845 18.427 -6.836 1.00 31.23 H new ATOM 0 HA LEU A 21 17.101 18.680 -9.540 1.00 0.53 H new ATOM 0 HB2 LEU A 21 16.621 20.318 -7.039 1.00 33.31 H new ATOM 0 HB3 LEU A 21 15.950 20.790 -8.587 1.00 33.31 H new ATOM 0 HG LEU A 21 15.410 17.991 -7.768 1.00 64.20 H new ATOM 0 HD11 LEU A 21 13.603 18.657 -6.229 1.00 1.12 H new ATOM 0 HD12 LEU A 21 15.205 19.129 -5.611 1.00 1.12 H new ATOM 0 HD13 LEU A 21 14.137 20.351 -6.342 1.00 1.12 H new ATOM 0 HD21 LEU A 21 13.182 18.556 -8.656 1.00 13.35 H new ATOM 0 HD22 LEU A 21 13.699 20.246 -8.865 1.00 13.35 H new ATOM 0 HD23 LEU A 21 14.474 18.955 -9.813 1.00 13.35 H new ATOM 334 N ARG A 22 19.268 20.885 -8.426 1.00 65.13 N ATOM 335 CA ARG A 22 20.203 21.924 -8.837 1.00 14.42 C ATOM 336 C ARG A 22 21.645 21.447 -8.689 1.00 32.12 C ATOM 337 O ARG A 22 21.949 20.541 -7.913 1.00 32.31 O ATOM 338 CB ARG A 22 19.988 23.193 -8.010 1.00 24.33 C ATOM 339 CG ARG A 22 19.152 24.246 -8.718 1.00 61.15 C ATOM 340 CD ARG A 22 17.665 23.953 -8.593 1.00 41.24 C ATOM 341 NE ARG A 22 16.951 24.199 -9.843 1.00 14.42 N ATOM 342 CZ ARG A 22 16.762 25.409 -10.355 1.00 10.32 C ATOM 343 NH1 ARG A 22 17.229 26.479 -9.728 1.00 50.41 N ATOM 344 NH2 ARG A 22 16.102 25.551 -11.498 1.00 14.43 N ATOM 0 H ARG A 22 19.354 20.602 -7.450 1.00 65.13 H new ATOM 0 HA ARG A 22 20.017 22.148 -9.887 1.00 14.42 H new ATOM 0 HB2 ARG A 22 19.503 22.927 -7.071 1.00 24.33 H new ATOM 0 HB3 ARG A 22 20.958 23.621 -7.757 1.00 24.33 H new ATOM 0 HG2 ARG A 22 19.367 25.228 -8.296 1.00 61.15 H new ATOM 0 HG3 ARG A 22 19.429 24.284 -9.771 1.00 61.15 H new ATOM 0 HD2 ARG A 22 17.524 22.914 -8.294 1.00 41.24 H new ATOM 0 HD3 ARG A 22 17.239 24.573 -7.804 1.00 41.24 H new ATOM 0 HE ARG A 22 16.577 23.397 -10.350 1.00 14.42 H new ATOM 0 HH11 ARG A 22 17.736 26.374 -8.849 1.00 50.41 H new ATOM 0 HH12 ARG A 22 17.082 27.407 -10.125 1.00 50.41 H new ATOM 0 HH21 ARG A 22 15.740 24.730 -11.983 1.00 14.43 H new ATOM 0 HH22 ARG A 22 15.957 26.481 -11.891 1.00 14.43 H new ATOM 358 N PRO A 23 22.556 22.069 -9.452 1.00 14.02 N ATOM 359 CA PRO A 23 23.981 21.724 -9.425 1.00 71.13 C ATOM 360 C PRO A 23 24.651 22.135 -8.118 1.00 32.22 C ATOM 361 O PRO A 23 25.573 21.471 -7.647 1.00 54.02 O ATOM 362 CB PRO A 23 24.562 22.519 -10.597 1.00 42.14 C ATOM 363 CG PRO A 23 23.630 23.669 -10.772 1.00 0.04 C ATOM 364 CD PRO A 23 22.266 23.157 -10.401 1.00 22.11 C ATOM 0 HA PRO A 23 24.142 20.649 -9.502 1.00 71.13 H new ATOM 0 HB2 PRO A 23 25.575 22.859 -10.381 1.00 42.14 H new ATOM 0 HB3 PRO A 23 24.615 21.911 -11.500 1.00 42.14 H new ATOM 0 HG2 PRO A 23 23.919 24.506 -10.136 1.00 0.04 H new ATOM 0 HG3 PRO A 23 23.645 24.030 -11.800 1.00 0.04 H new ATOM 0 HD2 PRO A 23 21.655 23.936 -9.945 1.00 22.11 H new ATOM 0 HD3 PRO A 23 21.722 22.795 -11.273 1.00 22.11 H new ATOM 372 N GLY A 24 24.180 23.234 -7.537 1.00 63.04 N ATOM 373 CA GLY A 24 24.745 23.714 -6.289 1.00 72.35 C ATOM 374 C GLY A 24 23.706 23.845 -5.194 1.00 42.05 C ATOM 375 O GLY A 24 23.844 24.672 -4.292 1.00 33.40 O ATOM 0 H GLY A 24 23.417 23.801 -7.908 1.00 63.04 H new ATOM 0 HA2 GLY A 24 25.529 23.030 -5.962 1.00 72.35 H new ATOM 0 HA3 GLY A 24 25.216 24.683 -6.456 1.00 72.35 H new ATOM 379 N GLY A 25 22.659 23.029 -5.272 1.00 74.33 N ATOM 380 CA GLY A 25 21.607 23.074 -4.275 1.00 43.34 C ATOM 381 C GLY A 25 21.671 21.907 -3.310 1.00 40.44 C ATOM 382 O GLY A 25 22.623 21.127 -3.329 1.00 23.15 O ATOM 0 H GLY A 25 22.521 22.337 -6.009 1.00 74.33 H new ATOM 0 HA2 GLY A 25 21.680 24.007 -3.717 1.00 43.34 H new ATOM 0 HA3 GLY A 25 20.638 23.076 -4.774 1.00 43.34 H new ATOM 386 N LYS A 26 20.657 21.788 -2.460 1.00 64.43 N ATOM 387 CA LYS A 26 20.601 20.709 -1.481 1.00 22.32 C ATOM 388 C LYS A 26 19.258 19.986 -1.544 1.00 50.33 C ATOM 389 O LYS A 26 18.837 19.351 -0.576 1.00 14.52 O ATOM 390 CB LYS A 26 20.831 21.257 -0.071 1.00 14.32 C ATOM 391 CG LYS A 26 22.183 21.925 0.108 1.00 0.43 C ATOM 392 CD LYS A 26 22.413 22.343 1.551 1.00 61.33 C ATOM 393 CE LYS A 26 23.669 21.704 2.123 1.00 70.24 C ATOM 394 NZ LYS A 26 23.652 21.684 3.613 1.00 2.34 N ATOM 0 H LYS A 26 19.862 22.426 -2.429 1.00 64.43 H new ATOM 0 HA LYS A 26 21.390 19.996 -1.719 1.00 22.32 H new ATOM 0 HB2 LYS A 26 20.046 21.976 0.163 1.00 14.32 H new ATOM 0 HB3 LYS A 26 20.740 20.441 0.646 1.00 14.32 H new ATOM 0 HG2 LYS A 26 22.972 21.240 -0.203 1.00 0.43 H new ATOM 0 HG3 LYS A 26 22.246 22.800 -0.539 1.00 0.43 H new ATOM 0 HD2 LYS A 26 22.498 23.428 1.607 1.00 61.33 H new ATOM 0 HD3 LYS A 26 21.551 22.059 2.155 1.00 61.33 H new ATOM 0 HE2 LYS A 26 23.762 20.685 1.747 1.00 70.24 H new ATOM 0 HE3 LYS A 26 24.545 22.252 1.777 1.00 70.24 H new ATOM 0 HZ1 LYS A 26 24.525 21.241 3.964 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 23.589 22.658 3.973 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 22.830 21.139 3.944 1.00 2.34 H new ATOM 408 N LYS A 27 18.592 20.086 -2.689 1.00 65.12 N ATOM 409 CA LYS A 27 17.297 19.441 -2.879 1.00 74.03 C ATOM 410 C LYS A 27 17.388 18.344 -3.935 1.00 21.44 C ATOM 411 O LYS A 27 17.938 18.552 -5.016 1.00 32.24 O ATOM 412 CB LYS A 27 16.245 20.473 -3.289 1.00 10.31 C ATOM 413 CG LYS A 27 15.488 21.069 -2.115 1.00 13.10 C ATOM 414 CD LYS A 27 16.212 22.274 -1.539 1.00 43.51 C ATOM 415 CE LYS A 27 15.233 23.337 -1.062 1.00 24.02 C ATOM 416 NZ LYS A 27 14.634 22.987 0.256 1.00 13.40 N ATOM 0 H LYS A 27 18.927 20.607 -3.499 1.00 65.12 H new ATOM 0 HA LYS A 27 17.001 18.988 -1.933 1.00 74.03 H new ATOM 0 HB2 LYS A 27 16.732 21.276 -3.842 1.00 10.31 H new ATOM 0 HB3 LYS A 27 15.534 20.004 -3.969 1.00 10.31 H new ATOM 0 HG2 LYS A 27 14.489 21.363 -2.437 1.00 13.10 H new ATOM 0 HG3 LYS A 27 15.364 20.313 -1.340 1.00 13.10 H new ATOM 0 HD2 LYS A 27 16.842 21.958 -0.707 1.00 43.51 H new ATOM 0 HD3 LYS A 27 16.872 22.699 -2.295 1.00 43.51 H new ATOM 0 HE2 LYS A 27 15.747 24.295 -0.985 1.00 24.02 H new ATOM 0 HE3 LYS A 27 14.441 23.459 -1.800 1.00 24.02 H new ATOM 0 HZ1 LYS A 27 13.973 23.735 0.547 1.00 13.40 H new ATOM 0 HZ2 LYS A 27 14.122 22.085 0.176 1.00 13.40 H new ATOM 0 HZ3 LYS A 27 15.388 22.896 0.967 1.00 13.40 H new ATOM 430 N LYS A 28 16.842 17.175 -3.616 1.00 52.13 N ATOM 431 CA LYS A 28 16.859 16.045 -4.537 1.00 22.21 C ATOM 432 C LYS A 28 15.450 15.720 -5.023 1.00 4.23 C ATOM 433 O LYS A 28 14.463 16.051 -4.365 1.00 53.15 O ATOM 434 CB LYS A 28 17.471 14.817 -3.860 1.00 12.02 C ATOM 435 CG LYS A 28 18.755 15.116 -3.104 1.00 0.24 C ATOM 436 CD LYS A 28 19.891 14.215 -3.558 1.00 13.32 C ATOM 437 CE LYS A 28 21.225 14.947 -3.538 1.00 4.41 C ATOM 438 NZ LYS A 28 21.928 14.784 -2.236 1.00 21.02 N ATOM 0 H LYS A 28 16.382 16.986 -2.726 1.00 52.13 H new ATOM 0 HA LYS A 28 17.469 16.319 -5.398 1.00 22.21 H new ATOM 0 HB2 LYS A 28 16.743 14.393 -3.169 1.00 12.02 H new ATOM 0 HB3 LYS A 28 17.673 14.058 -4.616 1.00 12.02 H new ATOM 0 HG2 LYS A 28 19.033 16.159 -3.256 1.00 0.24 H new ATOM 0 HG3 LYS A 28 18.589 14.983 -2.035 1.00 0.24 H new ATOM 0 HD2 LYS A 28 19.945 13.341 -2.909 1.00 13.32 H new ATOM 0 HD3 LYS A 28 19.689 13.852 -4.566 1.00 13.32 H new ATOM 0 HE2 LYS A 28 21.858 14.571 -4.342 1.00 4.41 H new ATOM 0 HE3 LYS A 28 21.060 16.007 -3.732 1.00 4.41 H new ATOM 0 HZ1 LYS A 28 22.832 15.297 -2.263 1.00 21.02 H new ATOM 0 HZ2 LYS A 28 21.336 15.166 -1.471 1.00 21.02 H new ATOM 0 HZ3 LYS A 28 22.108 13.774 -2.063 1.00 21.02 H new ATOM 452 N TYR A 29 15.363 15.070 -6.179 1.00 72.25 N ATOM 453 CA TYR A 29 14.075 14.701 -6.754 1.00 72.43 C ATOM 454 C TYR A 29 13.335 13.721 -5.848 1.00 50.52 C ATOM 455 O TYR A 29 13.951 12.974 -5.088 1.00 35.23 O ATOM 456 CB TYR A 29 14.269 14.084 -8.140 1.00 43.45 C ATOM 457 CG TYR A 29 14.482 15.106 -9.233 1.00 54.42 C ATOM 458 CD1 TYR A 29 13.407 15.781 -9.799 1.00 2.52 C ATOM 459 CD2 TYR A 29 15.758 15.398 -9.701 1.00 40.04 C ATOM 460 CE1 TYR A 29 13.596 16.716 -10.799 1.00 13.00 C ATOM 461 CE2 TYR A 29 15.957 16.332 -10.698 1.00 23.44 C ATOM 462 CZ TYR A 29 14.874 16.988 -11.245 1.00 22.30 C ATOM 463 OH TYR A 29 15.068 17.918 -12.240 1.00 61.21 O ATOM 0 H TYR A 29 16.170 14.788 -6.736 1.00 72.25 H new ATOM 0 HA TYR A 29 13.475 15.606 -6.848 1.00 72.43 H new ATOM 0 HB2 TYR A 29 15.126 13.410 -8.112 1.00 43.45 H new ATOM 0 HB3 TYR A 29 13.396 13.479 -8.385 1.00 43.45 H new ATOM 0 HD1 TYR A 29 12.406 15.571 -9.451 1.00 2.52 H new ATOM 0 HD2 TYR A 29 16.609 14.885 -9.277 1.00 40.04 H new ATOM 0 HE1 TYR A 29 12.749 17.231 -11.229 1.00 13.00 H new ATOM 0 HE2 TYR A 29 16.956 16.548 -11.048 1.00 23.44 H new ATOM 0 HH TYR A 29 15.974 18.286 -12.171 1.00 61.21 H new ATOM 473 N ARG A 30 12.009 13.732 -5.935 1.00 41.01 N ATOM 474 CA ARG A 30 11.183 12.845 -5.124 1.00 11.00 C ATOM 475 C ARG A 30 9.976 12.350 -5.916 1.00 52.34 C ATOM 476 O ARG A 30 9.644 12.898 -6.968 1.00 20.44 O ATOM 477 CB ARG A 30 10.714 13.566 -3.858 1.00 75.11 C ATOM 478 CG ARG A 30 11.239 12.945 -2.574 1.00 21.33 C ATOM 479 CD ARG A 30 11.351 13.975 -1.461 1.00 5.32 C ATOM 480 NE ARG A 30 12.648 14.646 -1.466 1.00 51.43 N ATOM 481 CZ ARG A 30 13.746 14.127 -0.929 1.00 12.40 C ATOM 482 NH1 ARG A 30 13.704 12.936 -0.348 1.00 41.14 N ATOM 483 NH2 ARG A 30 14.890 14.799 -0.972 1.00 3.05 N ATOM 0 H ARG A 30 11.484 14.345 -6.559 1.00 41.01 H new ATOM 0 HA ARG A 30 11.789 11.984 -4.841 1.00 11.00 H new ATOM 0 HB2 ARG A 30 11.032 14.608 -3.904 1.00 75.11 H new ATOM 0 HB3 ARG A 30 9.624 13.566 -3.833 1.00 75.11 H new ATOM 0 HG2 ARG A 30 10.575 12.140 -2.260 1.00 21.33 H new ATOM 0 HG3 ARG A 30 12.216 12.499 -2.758 1.00 21.33 H new ATOM 0 HD2 ARG A 30 10.559 14.716 -1.571 1.00 5.32 H new ATOM 0 HD3 ARG A 30 11.199 13.487 -0.498 1.00 5.32 H new ATOM 0 HE ARG A 30 12.714 15.564 -1.906 1.00 51.43 H new ATOM 0 HH11 ARG A 30 12.827 12.416 -0.313 1.00 41.14 H new ATOM 0 HH12 ARG A 30 14.549 12.539 0.064 1.00 41.14 H new ATOM 0 HH21 ARG A 30 14.927 15.716 -1.418 1.00 3.05 H new ATOM 0 HH22 ARG A 30 15.732 14.399 -0.559 1.00 3.05 H new ATOM 497 N LEU A 31 9.325 11.311 -5.404 1.00 15.41 N ATOM 498 CA LEU A 31 8.156 10.741 -6.064 1.00 70.12 C ATOM 499 C LEU A 31 7.189 11.837 -6.502 1.00 74.23 C ATOM 500 O LEU A 31 6.589 11.758 -7.573 1.00 21.05 O ATOM 501 CB LEU A 31 7.445 9.762 -5.128 1.00 24.41 C ATOM 502 CG LEU A 31 7.487 8.290 -5.540 1.00 63.43 C ATOM 503 CD1 LEU A 31 8.896 7.735 -5.395 1.00 43.10 C ATOM 504 CD2 LEU A 31 6.504 7.477 -4.709 1.00 34.32 C ATOM 0 H LEU A 31 9.587 10.847 -4.534 1.00 15.41 H new ATOM 0 HA LEU A 31 8.495 10.206 -6.951 1.00 70.12 H new ATOM 0 HB2 LEU A 31 7.886 9.854 -4.136 1.00 24.41 H new ATOM 0 HB3 LEU A 31 6.402 10.065 -5.042 1.00 24.41 H new ATOM 0 HG LEU A 31 7.196 8.217 -6.588 1.00 63.43 H new ATOM 0 HD11 LEU A 31 8.906 6.686 -5.693 1.00 43.10 H new ATOM 0 HD12 LEU A 31 9.577 8.300 -6.032 1.00 43.10 H new ATOM 0 HD13 LEU A 31 9.216 7.821 -4.356 1.00 43.10 H new ATOM 0 HD21 LEU A 31 6.546 6.432 -5.015 1.00 34.32 H new ATOM 0 HD22 LEU A 31 6.766 7.557 -3.654 1.00 34.32 H new ATOM 0 HD23 LEU A 31 5.495 7.859 -4.862 1.00 34.32 H new ATOM 516 N LYS A 32 7.046 12.860 -5.667 1.00 31.03 N ATOM 517 CA LYS A 32 6.155 13.975 -5.968 1.00 0.21 C ATOM 518 C LYS A 32 6.426 14.526 -7.364 1.00 22.31 C ATOM 519 O LYS A 32 5.498 14.786 -8.131 1.00 63.35 O ATOM 520 CB LYS A 32 6.326 15.085 -4.929 1.00 1.20 C ATOM 521 CG LYS A 32 5.875 14.688 -3.534 1.00 73.14 C ATOM 522 CD LYS A 32 5.505 15.902 -2.699 1.00 0.13 C ATOM 523 CE LYS A 32 4.925 15.498 -1.353 1.00 73.45 C ATOM 524 NZ LYS A 32 3.491 15.880 -1.229 1.00 75.21 N ATOM 0 H LYS A 32 7.536 12.941 -4.776 1.00 31.03 H new ATOM 0 HA LYS A 32 5.129 13.608 -5.934 1.00 0.21 H new ATOM 0 HB2 LYS A 32 7.375 15.378 -4.893 1.00 1.20 H new ATOM 0 HB3 LYS A 32 5.761 15.961 -5.249 1.00 1.20 H new ATOM 0 HG2 LYS A 32 5.017 14.019 -3.605 1.00 73.14 H new ATOM 0 HG3 LYS A 32 6.671 14.133 -3.038 1.00 73.14 H new ATOM 0 HD2 LYS A 32 6.389 16.521 -2.544 1.00 0.13 H new ATOM 0 HD3 LYS A 32 4.780 16.510 -3.241 1.00 0.13 H new ATOM 0 HE2 LYS A 32 5.026 14.421 -1.223 1.00 73.45 H new ATOM 0 HE3 LYS A 32 5.497 15.971 -0.555 1.00 73.45 H new ATOM 0 HZ1 LYS A 32 3.133 15.587 -0.297 1.00 75.21 H new ATOM 0 HZ2 LYS A 32 3.397 16.911 -1.328 1.00 75.21 H new ATOM 0 HZ3 LYS A 32 2.940 15.409 -1.975 1.00 75.21 H new ATOM 538 N HIS A 33 7.702 14.699 -7.690 1.00 35.32 N ATOM 539 CA HIS A 33 8.096 15.216 -8.997 1.00 62.24 C ATOM 540 C HIS A 33 7.716 14.237 -10.104 1.00 11.12 C ATOM 541 O HIS A 33 7.452 14.711 -11.210 1.00 64.52 O ATOM 542 CB HIS A 33 9.601 15.484 -9.031 1.00 1.45 C ATOM 543 CG HIS A 33 10.050 16.509 -8.035 1.00 32.32 C ATOM 544 ND1 HIS A 33 10.870 16.212 -6.967 1.00 34.14 N ATOM 545 CD2 HIS A 33 9.788 17.834 -7.949 1.00 53.31 C ATOM 546 CE1 HIS A 33 11.093 17.311 -6.268 1.00 35.40 C ATOM 547 NE2 HIS A 33 10.448 18.309 -6.844 1.00 73.44 N ATOM 0 H HIS A 33 8.482 14.489 -7.067 1.00 35.32 H new ATOM 0 HA HIS A 33 7.565 16.153 -9.166 1.00 62.24 H new ATOM 0 HB2 HIS A 33 10.132 14.551 -8.844 1.00 1.45 H new ATOM 0 HB3 HIS A 33 9.880 15.815 -10.031 1.00 1.45 H new ATOM 0 HD2 HIS A 33 9.174 18.410 -8.625 1.00 53.31 H new ATOM 0 HE1 HIS A 33 11.700 17.381 -5.377 1.00 35.40 H new ATOM 0 HE2 HIS A 33 10.442 19.276 -6.520 1.00 73.44 H new ATOM 555 N ILE A 34 7.683 12.934 -9.847 1.00 14.24 N ATOM 556 CA ILE A 34 7.325 11.963 -10.873 1.00 74.21 C ATOM 557 C ILE A 34 5.843 12.051 -11.221 1.00 72.11 C ATOM 558 O ILE A 34 5.459 11.927 -12.383 1.00 3.22 O ATOM 559 CB ILE A 34 7.652 10.526 -10.426 1.00 33.12 C ATOM 560 CG1 ILE A 34 9.144 10.393 -10.109 1.00 3.33 C ATOM 561 CG2 ILE A 34 7.244 9.531 -11.502 1.00 24.42 C ATOM 562 CD1 ILE A 34 9.536 9.021 -9.609 1.00 63.13 C ATOM 0 H ILE A 34 7.900 12.527 -8.937 1.00 14.24 H new ATOM 0 HA ILE A 34 7.917 12.204 -11.756 1.00 74.21 H new ATOM 0 HB ILE A 34 7.086 10.306 -9.521 1.00 33.12 H new ATOM 0 HG12 ILE A 34 9.719 10.622 -11.006 1.00 3.33 H new ATOM 0 HG13 ILE A 34 9.415 11.135 -9.358 1.00 3.33 H new ATOM 0 HG21 ILE A 34 7.481 8.520 -11.171 1.00 24.42 H new ATOM 0 HG22 ILE A 34 6.172 9.611 -11.684 1.00 24.42 H new ATOM 0 HG23 ILE A 34 7.786 9.748 -12.423 1.00 24.42 H new ATOM 0 HD11 ILE A 34 10.607 9.000 -9.405 1.00 63.13 H new ATOM 0 HD12 ILE A 34 8.988 8.797 -8.694 1.00 63.13 H new ATOM 0 HD13 ILE A 34 9.297 8.275 -10.367 1.00 63.13 H new ATOM 574 N VAL A 35 5.015 12.265 -10.204 1.00 41.20 N ATOM 575 CA VAL A 35 3.574 12.373 -10.401 1.00 43.23 C ATOM 576 C VAL A 35 3.231 13.539 -11.321 1.00 51.13 C ATOM 577 O VAL A 35 2.550 13.366 -12.331 1.00 24.30 O ATOM 578 CB VAL A 35 2.836 12.555 -9.061 1.00 41.50 C ATOM 579 CG1 VAL A 35 1.341 12.709 -9.292 1.00 44.13 C ATOM 580 CG2 VAL A 35 3.123 11.386 -8.132 1.00 55.43 C ATOM 0 H VAL A 35 5.317 12.367 -9.235 1.00 41.20 H new ATOM 0 HA VAL A 35 3.247 11.442 -10.863 1.00 43.23 H new ATOM 0 HB VAL A 35 3.201 13.465 -8.585 1.00 41.50 H new ATOM 0 HG11 VAL A 35 0.836 12.836 -8.334 1.00 44.13 H new ATOM 0 HG12 VAL A 35 1.158 13.582 -9.918 1.00 44.13 H new ATOM 0 HG13 VAL A 35 0.956 11.819 -9.789 1.00 44.13 H new ATOM 0 HG21 VAL A 35 2.594 11.531 -7.190 1.00 55.43 H new ATOM 0 HG22 VAL A 35 2.787 10.460 -8.598 1.00 55.43 H new ATOM 0 HG23 VAL A 35 4.195 11.328 -7.941 1.00 55.43 H new ATOM 590 N TRP A 36 3.708 14.726 -10.965 1.00 41.24 N ATOM 591 CA TRP A 36 3.451 15.922 -11.759 1.00 14.31 C ATOM 592 C TRP A 36 3.768 15.676 -13.230 1.00 43.44 C ATOM 593 O TRP A 36 3.022 16.099 -14.113 1.00 20.21 O ATOM 594 CB TRP A 36 4.282 17.095 -11.235 1.00 73.21 C ATOM 595 CG TRP A 36 3.947 18.400 -11.891 1.00 53.14 C ATOM 596 CD1 TRP A 36 2.900 19.223 -11.589 1.00 54.51 C ATOM 597 CD2 TRP A 36 4.661 19.031 -12.959 1.00 22.13 C ATOM 598 NE1 TRP A 36 2.920 20.328 -12.406 1.00 11.32 N ATOM 599 CE2 TRP A 36 3.991 20.234 -13.255 1.00 10.10 C ATOM 600 CE3 TRP A 36 5.802 18.698 -13.694 1.00 23.11 C ATOM 601 CZ2 TRP A 36 4.425 21.101 -14.255 1.00 61.02 C ATOM 602 CZ3 TRP A 36 6.231 19.559 -14.686 1.00 15.20 C ATOM 603 CH2 TRP A 36 5.545 20.749 -14.958 1.00 50.33 C ATOM 0 H TRP A 36 4.275 14.886 -10.132 1.00 41.24 H new ATOM 0 HA TRP A 36 2.393 16.167 -11.670 1.00 14.31 H new ATOM 0 HB2 TRP A 36 4.129 17.187 -10.160 1.00 73.21 H new ATOM 0 HB3 TRP A 36 5.339 16.880 -11.390 1.00 73.21 H new ATOM 0 HD1 TRP A 36 2.165 19.033 -10.821 1.00 54.51 H new ATOM 0 HE1 TRP A 36 2.247 21.094 -12.384 1.00 11.32 H new ATOM 0 HE3 TRP A 36 6.339 17.784 -13.490 1.00 23.11 H new ATOM 0 HZ2 TRP A 36 3.896 22.018 -14.468 1.00 61.02 H new ATOM 0 HZ3 TRP A 36 7.110 19.310 -15.261 1.00 15.20 H new ATOM 0 HH2 TRP A 36 5.907 21.402 -15.738 1.00 50.33 H new ATOM 614 N ALA A 37 4.878 14.992 -13.487 1.00 42.12 N ATOM 615 CA ALA A 37 5.290 14.689 -14.851 1.00 25.24 C ATOM 616 C ALA A 37 4.224 13.877 -15.579 1.00 62.51 C ATOM 617 O ALA A 37 3.701 14.303 -16.609 1.00 70.14 O ATOM 618 CB ALA A 37 6.615 13.941 -14.848 1.00 41.25 C ATOM 0 H ALA A 37 5.508 14.637 -12.768 1.00 42.12 H new ATOM 0 HA ALA A 37 5.418 15.631 -15.383 1.00 25.24 H new ATOM 0 HB1 ALA A 37 6.911 13.721 -15.874 1.00 41.25 H new ATOM 0 HB2 ALA A 37 7.379 14.557 -14.374 1.00 41.25 H new ATOM 0 HB3 ALA A 37 6.505 13.009 -14.294 1.00 41.25 H new ATOM 624 N ALA A 38 3.907 12.705 -15.038 1.00 53.45 N ATOM 625 CA ALA A 38 2.902 11.834 -15.636 1.00 61.03 C ATOM 626 C ALA A 38 1.553 12.537 -15.730 1.00 4.24 C ATOM 627 O ALA A 38 0.807 12.343 -16.689 1.00 4.42 O ATOM 628 CB ALA A 38 2.774 10.548 -14.834 1.00 52.44 C ATOM 0 H ALA A 38 4.332 12.337 -14.187 1.00 53.45 H new ATOM 0 HA ALA A 38 3.225 11.588 -16.647 1.00 61.03 H new ATOM 0 HB1 ALA A 38 2.020 9.907 -15.292 1.00 52.44 H new ATOM 0 HB2 ALA A 38 3.733 10.029 -14.822 1.00 52.44 H new ATOM 0 HB3 ALA A 38 2.477 10.784 -13.812 1.00 52.44 H new ATOM 634 N ASN A 39 1.245 13.356 -14.729 1.00 32.42 N ATOM 635 CA ASN A 39 -0.016 14.087 -14.700 1.00 63.24 C ATOM 636 C ASN A 39 -0.089 15.092 -15.844 1.00 41.22 C ATOM 637 O ASN A 39 -0.980 15.024 -16.690 1.00 21.04 O ATOM 638 CB ASN A 39 -0.180 14.809 -13.360 1.00 71.31 C ATOM 639 CG ASN A 39 -1.375 14.305 -12.574 1.00 72.21 C ATOM 640 OD1 ASN A 39 -1.161 14.009 -11.297 1.00 4.23 O flip ATOM 641 ND2 ASN A 39 -2.477 14.183 -13.108 1.00 1.15 N flip ATOM 0 H ASN A 39 1.852 13.530 -13.928 1.00 32.42 H new ATOM 0 HA ASN A 39 -0.827 13.368 -14.820 1.00 63.24 H new ATOM 0 HB2 ASN A 39 0.724 14.676 -12.766 1.00 71.31 H new ATOM 0 HB3 ASN A 39 -0.291 15.879 -13.538 1.00 71.31 H new ATOM 0 HD21 ASN A 39 -2.596 14.422 -14.092 1.00 1.15 H new ATOM 0 HD22 ASN A 39 -3.271 13.843 -12.566 1.00 1.15 H new ATOM 648 N LYS A 40 0.856 16.027 -15.864 1.00 21.31 N ATOM 649 CA LYS A 40 0.902 17.047 -16.905 1.00 35.50 C ATOM 650 C LYS A 40 0.733 16.423 -18.286 1.00 20.04 C ATOM 651 O LYS A 40 0.119 17.013 -19.175 1.00 4.22 O ATOM 652 CB LYS A 40 2.225 17.813 -16.839 1.00 42.35 C ATOM 653 CG LYS A 40 2.234 18.922 -15.800 1.00 42.40 C ATOM 654 CD LYS A 40 1.354 20.087 -16.222 1.00 61.12 C ATOM 655 CE LYS A 40 0.992 20.970 -15.036 1.00 32.33 C ATOM 656 NZ LYS A 40 -0.017 22.002 -15.401 1.00 71.11 N ATOM 0 H LYS A 40 1.600 16.099 -15.170 1.00 21.31 H new ATOM 0 HA LYS A 40 0.078 17.741 -16.736 1.00 35.50 H new ATOM 0 HB2 LYS A 40 3.030 17.113 -16.618 1.00 42.35 H new ATOM 0 HB3 LYS A 40 2.436 18.242 -17.818 1.00 42.35 H new ATOM 0 HG2 LYS A 40 1.887 18.530 -14.844 1.00 42.40 H new ATOM 0 HG3 LYS A 40 3.255 19.272 -15.649 1.00 42.40 H new ATOM 0 HD2 LYS A 40 1.872 20.681 -16.975 1.00 61.12 H new ATOM 0 HD3 LYS A 40 0.444 19.707 -16.686 1.00 61.12 H new ATOM 0 HE2 LYS A 40 0.602 20.351 -14.228 1.00 32.33 H new ATOM 0 HE3 LYS A 40 1.891 21.458 -14.659 1.00 32.33 H new ATOM 0 HZ1 LYS A 40 -0.237 22.583 -14.567 1.00 71.11 H new ATOM 0 HZ2 LYS A 40 0.364 22.609 -16.155 1.00 71.11 H new ATOM 0 HZ3 LYS A 40 -0.884 21.536 -15.737 1.00 71.11 H new ATOM 670 N LEU A 41 1.280 15.224 -18.460 1.00 53.34 N ATOM 671 CA LEU A 41 1.189 14.519 -19.733 1.00 4.10 C ATOM 672 C LEU A 41 -0.264 14.213 -20.083 1.00 4.24 C ATOM 673 O LEU A 41 -0.796 14.727 -21.068 1.00 62.24 O ATOM 674 CB LEU A 41 1.995 13.220 -19.679 1.00 53.31 C ATOM 675 CG LEU A 41 3.517 13.374 -19.704 1.00 30.43 C ATOM 676 CD1 LEU A 41 4.192 12.043 -19.407 1.00 41.55 C ATOM 677 CD2 LEU A 41 3.975 13.918 -21.049 1.00 54.43 C ATOM 0 H LEU A 41 1.791 14.720 -17.735 1.00 53.34 H new ATOM 0 HA LEU A 41 1.603 15.165 -20.507 1.00 4.10 H new ATOM 0 HB2 LEU A 41 1.719 12.682 -18.772 1.00 53.31 H new ATOM 0 HB3 LEU A 41 1.699 12.596 -20.523 1.00 53.31 H new ATOM 0 HG LEU A 41 3.805 14.085 -18.930 1.00 30.43 H new ATOM 0 HD11 LEU A 41 5.274 12.171 -19.429 1.00 41.55 H new ATOM 0 HD12 LEU A 41 3.888 11.693 -18.421 1.00 41.55 H new ATOM 0 HD13 LEU A 41 3.898 11.310 -20.159 1.00 41.55 H new ATOM 0 HD21 LEU A 41 5.060 14.021 -21.049 1.00 54.43 H new ATOM 0 HD22 LEU A 41 3.676 13.231 -21.840 1.00 54.43 H new ATOM 0 HD23 LEU A 41 3.518 14.892 -21.222 1.00 54.43 H new ATOM 689 N ASP A 42 -0.900 13.377 -19.270 1.00 3.33 N ATOM 690 CA ASP A 42 -2.293 13.006 -19.493 1.00 40.32 C ATOM 691 C ASP A 42 -3.152 14.243 -19.735 1.00 63.10 C ATOM 692 O ASP A 42 -3.964 14.275 -20.660 1.00 45.33 O ATOM 693 CB ASP A 42 -2.831 12.222 -18.294 1.00 2.35 C ATOM 694 CG ASP A 42 -2.766 10.723 -18.508 1.00 70.30 C ATOM 695 OD1 ASP A 42 -1.965 10.278 -19.357 1.00 24.41 O ATOM 696 OD2 ASP A 42 -3.517 9.994 -17.826 1.00 52.43 O ATOM 0 H ASP A 42 -0.474 12.943 -18.451 1.00 3.33 H new ATOM 0 HA ASP A 42 -2.339 12.375 -20.381 1.00 40.32 H new ATOM 0 HB2 ASP A 42 -2.258 12.485 -17.405 1.00 2.35 H new ATOM 0 HB3 ASP A 42 -3.864 12.515 -18.106 1.00 2.35 H new ATOM 701 N ARG A 43 -2.970 15.258 -18.897 1.00 41.10 N ATOM 702 CA ARG A 43 -3.730 16.496 -19.019 1.00 60.34 C ATOM 703 C ARG A 43 -3.450 17.177 -20.355 1.00 31.31 C ATOM 704 O ARG A 43 -4.351 17.347 -21.177 1.00 14.32 O ATOM 705 CB ARG A 43 -3.387 17.445 -17.869 1.00 1.31 C ATOM 706 CG ARG A 43 -4.607 17.969 -17.127 1.00 14.42 C ATOM 707 CD ARG A 43 -4.447 19.436 -16.759 1.00 20.01 C ATOM 708 NE ARG A 43 -5.631 19.964 -16.088 1.00 53.11 N ATOM 709 CZ ARG A 43 -5.713 21.198 -15.602 1.00 15.35 C ATOM 710 NH1 ARG A 43 -4.684 22.027 -15.716 1.00 71.32 N ATOM 711 NH2 ARG A 43 -6.825 21.605 -15.005 1.00 52.44 N ATOM 0 H ARG A 43 -2.302 15.247 -18.126 1.00 41.10 H new ATOM 0 HA ARG A 43 -4.790 16.248 -18.973 1.00 60.34 H new ATOM 0 HB2 ARG A 43 -2.738 16.927 -17.163 1.00 1.31 H new ATOM 0 HB3 ARG A 43 -2.821 18.289 -18.262 1.00 1.31 H new ATOM 0 HG2 ARG A 43 -5.494 17.843 -17.748 1.00 14.42 H new ATOM 0 HG3 ARG A 43 -4.765 17.381 -16.223 1.00 14.42 H new ATOM 0 HD2 ARG A 43 -3.579 19.554 -16.110 1.00 20.01 H new ATOM 0 HD3 ARG A 43 -4.252 20.017 -17.661 1.00 20.01 H new ATOM 0 HE ARG A 43 -6.440 19.352 -15.987 1.00 53.11 H new ATOM 0 HH11 ARG A 43 -3.828 21.718 -16.177 1.00 71.32 H new ATOM 0 HH12 ARG A 43 -4.748 22.974 -15.343 1.00 71.32 H new ATOM 0 HH21 ARG A 43 -7.619 20.970 -14.918 1.00 52.44 H new ATOM 0 HH22 ARG A 43 -6.886 22.553 -14.632 1.00 52.44 H new ATOM 725 N PHE A 44 -2.196 17.564 -20.565 1.00 21.12 N ATOM 726 CA PHE A 44 -1.798 18.227 -21.801 1.00 43.04 C ATOM 727 C PHE A 44 -2.311 17.463 -23.018 1.00 32.25 C ATOM 728 O PHE A 44 -2.785 18.059 -23.984 1.00 25.43 O ATOM 729 CB PHE A 44 -0.275 18.354 -21.868 1.00 15.22 C ATOM 730 CG PHE A 44 0.259 19.554 -21.141 1.00 74.14 C ATOM 731 CD1 PHE A 44 -0.269 20.814 -21.373 1.00 21.12 C ATOM 732 CD2 PHE A 44 1.290 19.423 -20.224 1.00 11.41 C ATOM 733 CE1 PHE A 44 0.222 21.920 -20.705 1.00 32.35 C ATOM 734 CE2 PHE A 44 1.785 20.526 -19.553 1.00 20.42 C ATOM 735 CZ PHE A 44 1.249 21.775 -19.793 1.00 5.20 C ATOM 0 H PHE A 44 -1.438 17.430 -19.895 1.00 21.12 H new ATOM 0 HA PHE A 44 -2.239 19.224 -21.808 1.00 43.04 H new ATOM 0 HB2 PHE A 44 0.175 17.455 -21.448 1.00 15.22 H new ATOM 0 HB3 PHE A 44 0.032 18.406 -22.913 1.00 15.22 H new ATOM 0 HD1 PHE A 44 -1.073 20.933 -22.084 1.00 21.12 H new ATOM 0 HD2 PHE A 44 1.712 18.448 -20.031 1.00 11.41 H new ATOM 0 HE1 PHE A 44 -0.197 22.897 -20.896 1.00 32.35 H new ATOM 0 HE2 PHE A 44 2.590 20.410 -18.842 1.00 20.42 H new ATOM 0 HZ PHE A 44 1.632 22.638 -19.268 1.00 5.20 H new ATOM 745 N GLY A 45 -2.210 16.139 -22.964 1.00 33.34 N ATOM 746 CA GLY A 45 -2.666 15.314 -24.068 1.00 74.13 C ATOM 747 C GLY A 45 -1.799 14.087 -24.271 1.00 32.03 C ATOM 748 O GLY A 45 -2.225 13.113 -24.894 1.00 51.34 O ATOM 0 H GLY A 45 -1.821 15.622 -22.175 1.00 33.34 H new ATOM 0 HA2 GLY A 45 -3.694 15.002 -23.884 1.00 74.13 H new ATOM 0 HA3 GLY A 45 -2.671 15.907 -24.983 1.00 74.13 H new ATOM 752 N LEU A 46 -0.580 14.132 -23.746 1.00 34.12 N ATOM 753 CA LEU A 46 0.351 13.016 -23.874 1.00 22.52 C ATOM 754 C LEU A 46 0.017 11.911 -22.876 1.00 13.13 C ATOM 755 O LEU A 46 -0.648 12.151 -21.870 1.00 50.24 O ATOM 756 CB LEU A 46 1.787 13.496 -23.660 1.00 75.20 C ATOM 757 CG LEU A 46 2.526 13.981 -24.907 1.00 32.12 C ATOM 758 CD1 LEU A 46 3.383 15.195 -24.582 1.00 53.03 C ATOM 759 CD2 LEU A 46 3.380 12.864 -25.490 1.00 5.43 C ATOM 0 H LEU A 46 -0.213 14.930 -23.227 1.00 34.12 H new ATOM 0 HA LEU A 46 0.257 12.611 -24.881 1.00 22.52 H new ATOM 0 HB2 LEU A 46 1.773 14.307 -22.932 1.00 75.20 H new ATOM 0 HB3 LEU A 46 2.359 12.681 -23.217 1.00 75.20 H new ATOM 0 HG LEU A 46 1.787 14.273 -25.653 1.00 32.12 H new ATOM 0 HD11 LEU A 46 3.901 15.526 -25.482 1.00 53.03 H new ATOM 0 HD12 LEU A 46 2.748 16.000 -24.212 1.00 53.03 H new ATOM 0 HD13 LEU A 46 4.115 14.930 -23.819 1.00 53.03 H new ATOM 0 HD21 LEU A 46 3.899 13.228 -26.377 1.00 5.43 H new ATOM 0 HD22 LEU A 46 4.111 12.541 -24.749 1.00 5.43 H new ATOM 0 HD23 LEU A 46 2.743 12.023 -25.762 1.00 5.43 H new ATOM 771 N ALA A 47 0.486 10.701 -23.163 1.00 12.10 N ATOM 772 CA ALA A 47 0.241 9.561 -22.288 1.00 14.14 C ATOM 773 C ALA A 47 1.438 9.297 -21.381 1.00 12.14 C ATOM 774 O ALA A 47 2.434 10.019 -21.428 1.00 45.11 O ATOM 775 CB ALA A 47 -0.081 8.323 -23.113 1.00 71.42 C ATOM 0 H ALA A 47 1.037 10.485 -23.994 1.00 12.10 H new ATOM 0 HA ALA A 47 -0.615 9.797 -21.656 1.00 14.14 H new ATOM 0 HB1 ALA A 47 -0.262 7.479 -22.447 1.00 71.42 H new ATOM 0 HB2 ALA A 47 -0.971 8.508 -23.714 1.00 71.42 H new ATOM 0 HB3 ALA A 47 0.759 8.094 -23.769 1.00 71.42 H new ATOM 781 N GLU A 48 1.333 8.260 -20.557 1.00 74.44 N ATOM 782 CA GLU A 48 2.408 7.904 -19.638 1.00 71.44 C ATOM 783 C GLU A 48 3.282 6.800 -20.225 1.00 50.03 C ATOM 784 O GLU A 48 4.157 6.258 -19.548 1.00 45.54 O ATOM 785 CB GLU A 48 1.831 7.452 -18.295 1.00 40.34 C ATOM 786 CG GLU A 48 0.846 6.300 -18.411 1.00 53.04 C ATOM 787 CD GLU A 48 -0.519 6.641 -17.846 1.00 74.23 C ATOM 788 OE1 GLU A 48 -1.085 7.680 -18.244 1.00 13.24 O ATOM 789 OE2 GLU A 48 -1.021 5.866 -17.005 1.00 44.51 O ATOM 0 H GLU A 48 0.516 7.652 -20.507 1.00 74.44 H new ATOM 0 HA GLU A 48 3.026 8.788 -19.482 1.00 71.44 H new ATOM 0 HB2 GLU A 48 2.649 7.154 -17.639 1.00 40.34 H new ATOM 0 HB3 GLU A 48 1.334 8.298 -17.820 1.00 40.34 H new ATOM 0 HG2 GLU A 48 0.742 6.020 -19.459 1.00 53.04 H new ATOM 0 HG3 GLU A 48 1.245 5.431 -17.887 1.00 53.04 H new ATOM 796 N SER A 49 3.039 6.470 -21.489 1.00 13.24 N ATOM 797 CA SER A 49 3.802 5.428 -22.168 1.00 22.53 C ATOM 798 C SER A 49 5.228 5.892 -22.445 1.00 34.44 C ATOM 799 O SER A 49 6.072 5.111 -22.889 1.00 30.30 O ATOM 800 CB SER A 49 3.116 5.037 -23.479 1.00 74.41 C ATOM 801 OG SER A 49 1.848 4.452 -23.236 1.00 33.44 O ATOM 0 H SER A 49 2.320 6.909 -22.064 1.00 13.24 H new ATOM 0 HA SER A 49 3.843 4.557 -21.514 1.00 22.53 H new ATOM 0 HB2 SER A 49 2.999 5.919 -24.109 1.00 74.41 H new ATOM 0 HB3 SER A 49 3.745 4.335 -24.027 1.00 74.41 H new ATOM 0 HG SER A 49 1.429 4.213 -24.089 1.00 33.44 H new ATOM 807 N LEU A 50 5.490 7.166 -22.181 1.00 55.44 N ATOM 808 CA LEU A 50 6.816 7.736 -22.401 1.00 41.10 C ATOM 809 C LEU A 50 7.532 7.978 -21.077 1.00 45.14 C ATOM 810 O LEU A 50 8.308 8.926 -20.942 1.00 62.30 O ATOM 811 CB LEU A 50 6.706 9.047 -23.182 1.00 63.23 C ATOM 812 CG LEU A 50 5.699 9.060 -24.333 1.00 34.42 C ATOM 813 CD1 LEU A 50 5.460 10.482 -24.817 1.00 21.25 C ATOM 814 CD2 LEU A 50 6.186 8.180 -25.476 1.00 4.54 C ATOM 0 H LEU A 50 4.803 7.825 -21.814 1.00 55.44 H new ATOM 0 HA LEU A 50 7.399 7.022 -22.982 1.00 41.10 H new ATOM 0 HB2 LEU A 50 6.440 9.841 -22.484 1.00 63.23 H new ATOM 0 HB3 LEU A 50 7.690 9.291 -23.583 1.00 63.23 H new ATOM 0 HG LEU A 50 4.753 8.659 -23.969 1.00 34.42 H new ATOM 0 HD11 LEU A 50 4.741 10.472 -25.636 1.00 21.25 H new ATOM 0 HD12 LEU A 50 5.068 11.084 -23.997 1.00 21.25 H new ATOM 0 HD13 LEU A 50 6.400 10.911 -25.165 1.00 21.25 H new ATOM 0 HD21 LEU A 50 5.458 8.201 -26.287 1.00 4.54 H new ATOM 0 HD22 LEU A 50 7.144 8.552 -25.839 1.00 4.54 H new ATOM 0 HD23 LEU A 50 6.306 7.156 -25.122 1.00 4.54 H new ATOM 826 N LEU A 51 7.268 7.117 -20.101 1.00 31.31 N ATOM 827 CA LEU A 51 7.888 7.236 -18.786 1.00 73.42 C ATOM 828 C LEU A 51 8.529 5.916 -18.365 1.00 10.42 C ATOM 829 O LEU A 51 9.577 5.903 -17.721 1.00 0.11 O ATOM 830 CB LEU A 51 6.851 7.667 -17.748 1.00 21.10 C ATOM 831 CG LEU A 51 6.400 9.126 -17.815 1.00 34.22 C ATOM 832 CD1 LEU A 51 5.165 9.344 -16.955 1.00 73.24 C ATOM 833 CD2 LEU A 51 7.525 10.053 -17.379 1.00 35.20 C ATOM 0 H LEU A 51 6.628 6.328 -20.195 1.00 31.31 H new ATOM 0 HA LEU A 51 8.668 7.995 -18.847 1.00 73.42 H new ATOM 0 HB2 LEU A 51 5.972 7.031 -17.856 1.00 21.10 H new ATOM 0 HB3 LEU A 51 7.260 7.479 -16.755 1.00 21.10 H new ATOM 0 HG LEU A 51 6.144 9.359 -18.849 1.00 34.22 H new ATOM 0 HD11 LEU A 51 4.859 10.388 -17.016 1.00 73.24 H new ATOM 0 HD12 LEU A 51 4.356 8.708 -17.313 1.00 73.24 H new ATOM 0 HD13 LEU A 51 5.394 9.092 -15.919 1.00 73.24 H new ATOM 0 HD21 LEU A 51 7.186 11.087 -17.433 1.00 35.20 H new ATOM 0 HD22 LEU A 51 7.813 9.819 -16.354 1.00 35.20 H new ATOM 0 HD23 LEU A 51 8.383 9.918 -18.037 1.00 35.20 H new ATOM 845 N GLU A 52 7.891 4.810 -18.735 1.00 13.33 N ATOM 846 CA GLU A 52 8.400 3.486 -18.396 1.00 12.34 C ATOM 847 C GLU A 52 9.651 3.161 -19.207 1.00 31.51 C ATOM 848 O GLU A 52 10.671 2.747 -18.656 1.00 31.33 O ATOM 849 CB GLU A 52 7.327 2.425 -18.645 1.00 32.50 C ATOM 850 CG GLU A 52 5.936 2.848 -18.203 1.00 51.42 C ATOM 851 CD GLU A 52 4.946 1.700 -18.208 1.00 55.24 C ATOM 852 OE1 GLU A 52 5.287 0.624 -17.673 1.00 61.41 O ATOM 853 OE2 GLU A 52 3.834 1.877 -18.744 1.00 11.11 O ATOM 0 H GLU A 52 7.022 4.804 -19.269 1.00 13.33 H new ATOM 0 HA GLU A 52 8.663 3.485 -17.338 1.00 12.34 H new ATOM 0 HB2 GLU A 52 7.304 2.187 -19.708 1.00 32.50 H new ATOM 0 HB3 GLU A 52 7.603 1.511 -18.119 1.00 32.50 H new ATOM 0 HG2 GLU A 52 5.991 3.271 -17.200 1.00 51.42 H new ATOM 0 HG3 GLU A 52 5.574 3.637 -18.862 1.00 51.42 H new ATOM 860 N SER A 53 9.564 3.351 -20.520 1.00 43.11 N ATOM 861 CA SER A 53 10.687 3.073 -21.408 1.00 2.53 C ATOM 862 C SER A 53 11.483 4.344 -21.690 1.00 34.12 C ATOM 863 O SER A 53 10.957 5.453 -21.603 1.00 32.13 O ATOM 864 CB SER A 53 10.188 2.469 -22.723 1.00 64.14 C ATOM 865 OG SER A 53 10.249 3.416 -23.775 1.00 32.01 O ATOM 0 H SER A 53 8.728 3.696 -20.992 1.00 43.11 H new ATOM 0 HA SER A 53 11.342 2.356 -20.912 1.00 2.53 H new ATOM 0 HB2 SER A 53 10.791 1.598 -22.979 1.00 64.14 H new ATOM 0 HB3 SER A 53 9.162 2.122 -22.601 1.00 64.14 H new ATOM 0 HG SER A 53 9.926 3.005 -24.604 1.00 32.01 H new ATOM 871 N LYS A 54 12.758 4.173 -22.028 1.00 61.54 N ATOM 872 CA LYS A 54 13.629 5.303 -22.324 1.00 54.32 C ATOM 873 C LYS A 54 13.336 5.868 -23.710 1.00 14.02 C ATOM 874 O LYS A 54 13.336 7.083 -23.907 1.00 60.30 O ATOM 875 CB LYS A 54 15.097 4.878 -22.234 1.00 0.22 C ATOM 876 CG LYS A 54 15.474 3.781 -23.214 1.00 2.35 C ATOM 877 CD LYS A 54 16.895 3.295 -22.987 1.00 42.13 C ATOM 878 CE LYS A 54 16.918 1.966 -22.249 1.00 62.31 C ATOM 879 NZ LYS A 54 17.229 0.830 -23.160 1.00 12.24 N ATOM 0 H LYS A 54 13.210 3.262 -22.103 1.00 61.54 H new ATOM 0 HA LYS A 54 13.436 6.082 -21.586 1.00 54.32 H new ATOM 0 HB2 LYS A 54 15.730 5.747 -22.414 1.00 0.22 H new ATOM 0 HB3 LYS A 54 15.306 4.536 -21.220 1.00 0.22 H new ATOM 0 HG2 LYS A 54 14.782 2.945 -23.110 1.00 2.35 H new ATOM 0 HG3 LYS A 54 15.374 4.153 -24.234 1.00 2.35 H new ATOM 0 HD2 LYS A 54 17.402 3.189 -23.946 1.00 42.13 H new ATOM 0 HD3 LYS A 54 17.448 4.040 -22.415 1.00 42.13 H new ATOM 0 HE2 LYS A 54 17.661 2.006 -21.452 1.00 62.31 H new ATOM 0 HE3 LYS A 54 15.951 1.797 -21.775 1.00 62.31 H new ATOM 0 HZ1 LYS A 54 17.235 -0.058 -22.618 1.00 12.24 H new ATOM 0 HZ2 LYS A 54 16.506 0.775 -23.906 1.00 12.24 H new ATOM 0 HZ3 LYS A 54 18.163 0.978 -23.593 1.00 12.24 H new ATOM 893 N GLU A 55 13.086 4.978 -24.666 1.00 12.41 N ATOM 894 CA GLU A 55 12.791 5.390 -26.033 1.00 34.22 C ATOM 895 C GLU A 55 11.572 6.307 -26.074 1.00 41.32 C ATOM 896 O GLU A 55 11.533 7.272 -26.836 1.00 41.35 O ATOM 897 CB GLU A 55 12.551 4.165 -26.917 1.00 14.04 C ATOM 898 CG GLU A 55 13.744 3.227 -26.995 1.00 13.00 C ATOM 899 CD GLU A 55 14.875 3.790 -27.834 1.00 50.01 C ATOM 900 OE1 GLU A 55 14.659 4.018 -29.043 1.00 32.21 O ATOM 901 OE2 GLU A 55 15.975 4.001 -27.284 1.00 62.04 O ATOM 0 H GLU A 55 13.082 3.969 -24.519 1.00 12.41 H new ATOM 0 HA GLU A 55 13.651 5.941 -26.413 1.00 34.22 H new ATOM 0 HB2 GLU A 55 11.691 3.615 -26.535 1.00 14.04 H new ATOM 0 HB3 GLU A 55 12.295 4.498 -27.923 1.00 14.04 H new ATOM 0 HG2 GLU A 55 14.109 3.025 -25.988 1.00 13.00 H new ATOM 0 HG3 GLU A 55 13.425 2.273 -27.415 1.00 13.00 H new ATOM 908 N GLY A 56 10.576 5.997 -25.249 1.00 33.55 N ATOM 909 CA GLY A 56 9.369 6.800 -25.206 1.00 0.32 C ATOM 910 C GLY A 56 9.634 8.219 -24.741 1.00 31.44 C ATOM 911 O GLY A 56 9.150 9.177 -25.345 1.00 44.23 O ATOM 0 H GLY A 56 10.584 5.203 -24.609 1.00 33.55 H new ATOM 0 HA2 GLY A 56 8.917 6.824 -26.197 1.00 0.32 H new ATOM 0 HA3 GLY A 56 8.647 6.330 -24.538 1.00 0.32 H new ATOM 915 N CYS A 57 10.402 8.354 -23.667 1.00 74.34 N ATOM 916 CA CYS A 57 10.728 9.666 -23.119 1.00 32.14 C ATOM 917 C CYS A 57 11.344 10.563 -24.188 1.00 11.21 C ATOM 918 O CYS A 57 11.240 11.787 -24.119 1.00 31.41 O ATOM 919 CB CYS A 57 11.690 9.524 -21.939 1.00 70.44 C ATOM 920 SG CYS A 57 11.068 10.223 -20.391 1.00 23.34 S ATOM 0 H CYS A 57 10.811 7.571 -23.157 1.00 74.34 H new ATOM 0 HA CYS A 57 9.804 10.127 -22.771 1.00 32.14 H new ATOM 0 HB2 CYS A 57 11.907 8.467 -21.786 1.00 70.44 H new ATOM 0 HB3 CYS A 57 12.632 10.010 -22.192 1.00 70.44 H new ATOM 0 HG CYS A 57 9.823 9.883 -20.231 1.00 23.34 H new ATOM 926 N GLN A 58 11.987 9.945 -25.173 1.00 31.42 N ATOM 927 CA GLN A 58 12.622 10.689 -26.255 1.00 35.42 C ATOM 928 C GLN A 58 11.588 11.469 -27.059 1.00 50.13 C ATOM 929 O GLN A 58 11.930 12.388 -27.804 1.00 5.41 O ATOM 930 CB GLN A 58 13.388 9.737 -27.175 1.00 53.11 C ATOM 931 CG GLN A 58 14.837 10.140 -27.397 1.00 11.20 C ATOM 932 CD GLN A 58 15.559 9.217 -28.359 1.00 30.02 C ATOM 933 OE1 GLN A 58 16.446 8.384 -27.827 1.00 72.11 O flip ATOM 934 NE2 GLN A 58 15.323 9.253 -29.567 1.00 31.32 N flip ATOM 0 H GLN A 58 12.082 8.932 -25.245 1.00 31.42 H new ATOM 0 HA GLN A 58 13.322 11.398 -25.813 1.00 35.42 H new ATOM 0 HB2 GLN A 58 13.360 8.733 -26.750 1.00 53.11 H new ATOM 0 HB3 GLN A 58 12.881 9.690 -28.139 1.00 53.11 H new ATOM 0 HG2 GLN A 58 14.872 11.159 -27.782 1.00 11.20 H new ATOM 0 HG3 GLN A 58 15.360 10.143 -26.441 1.00 11.20 H new ATOM 0 HE21 GLN A 58 14.633 9.909 -29.933 1.00 31.32 H new ATOM 0 HE22 GLN A 58 15.817 8.626 -30.202 1.00 31.32 H new ATOM 943 N LYS A 59 10.322 11.098 -26.904 1.00 73.24 N ATOM 944 CA LYS A 59 9.236 11.763 -27.615 1.00 71.33 C ATOM 945 C LYS A 59 8.860 13.073 -26.930 1.00 63.31 C ATOM 946 O LYS A 59 8.605 14.079 -27.592 1.00 41.11 O ATOM 947 CB LYS A 59 8.013 10.846 -27.692 1.00 13.22 C ATOM 948 CG LYS A 59 7.109 11.139 -28.877 1.00 4.31 C ATOM 949 CD LYS A 59 6.922 9.912 -29.753 1.00 14.34 C ATOM 950 CE LYS A 59 6.771 10.292 -31.219 1.00 62.45 C ATOM 951 NZ LYS A 59 5.913 9.324 -31.956 1.00 23.45 N ATOM 0 H LYS A 59 10.022 10.339 -26.292 1.00 73.24 H new ATOM 0 HA LYS A 59 9.579 11.987 -28.625 1.00 71.33 H new ATOM 0 HB2 LYS A 59 8.348 9.810 -27.748 1.00 13.22 H new ATOM 0 HB3 LYS A 59 7.436 10.945 -26.772 1.00 13.22 H new ATOM 0 HG2 LYS A 59 6.139 11.483 -28.519 1.00 4.31 H new ATOM 0 HG3 LYS A 59 7.535 11.949 -29.469 1.00 4.31 H new ATOM 0 HD2 LYS A 59 7.776 9.245 -29.635 1.00 14.34 H new ATOM 0 HD3 LYS A 59 6.040 9.361 -29.426 1.00 14.34 H new ATOM 0 HE2 LYS A 59 6.339 11.290 -31.293 1.00 62.45 H new ATOM 0 HE3 LYS A 59 7.755 10.335 -31.686 1.00 62.45 H new ATOM 0 HZ1 LYS A 59 5.834 9.617 -32.951 1.00 23.45 H new ATOM 0 HZ2 LYS A 59 6.338 8.376 -31.907 1.00 23.45 H new ATOM 0 HZ3 LYS A 59 4.966 9.302 -31.526 1.00 23.45 H new ATOM 965 N ILE A 60 8.829 13.053 -25.601 1.00 15.54 N ATOM 966 CA ILE A 60 8.487 14.240 -24.828 1.00 31.03 C ATOM 967 C ILE A 60 9.607 15.275 -24.884 1.00 60.43 C ATOM 968 O ILE A 60 9.362 16.477 -24.775 1.00 75.33 O ATOM 969 CB ILE A 60 8.200 13.890 -23.356 1.00 63.34 C ATOM 970 CG1 ILE A 60 7.187 12.747 -23.270 1.00 72.42 C ATOM 971 CG2 ILE A 60 7.691 15.114 -22.609 1.00 2.14 C ATOM 972 CD1 ILE A 60 6.905 12.295 -21.853 1.00 3.51 C ATOM 0 H ILE A 60 9.037 12.228 -25.038 1.00 15.54 H new ATOM 0 HA ILE A 60 7.586 14.659 -25.276 1.00 31.03 H new ATOM 0 HB ILE A 60 9.129 13.564 -22.888 1.00 63.34 H new ATOM 0 HG12 ILE A 60 6.253 13.064 -23.734 1.00 72.42 H new ATOM 0 HG13 ILE A 60 7.558 11.899 -23.846 1.00 72.42 H new ATOM 0 HG21 ILE A 60 7.493 14.850 -21.570 1.00 2.14 H new ATOM 0 HG22 ILE A 60 8.443 15.902 -22.646 1.00 2.14 H new ATOM 0 HG23 ILE A 60 6.772 15.468 -23.075 1.00 2.14 H new ATOM 0 HD11 ILE A 60 6.178 11.483 -21.868 1.00 3.51 H new ATOM 0 HD12 ILE A 60 7.829 11.947 -21.391 1.00 3.51 H new ATOM 0 HD13 ILE A 60 6.504 13.130 -21.278 1.00 3.51 H new ATOM 984 N LEU A 61 10.835 14.799 -25.055 1.00 70.11 N ATOM 985 CA LEU A 61 11.994 15.682 -25.127 1.00 51.31 C ATOM 986 C LEU A 61 12.097 16.334 -26.503 1.00 64.34 C ATOM 987 O LEU A 61 12.405 17.520 -26.619 1.00 53.24 O ATOM 988 CB LEU A 61 13.274 14.902 -24.823 1.00 62.10 C ATOM 989 CG LEU A 61 13.490 14.511 -23.360 1.00 55.50 C ATOM 990 CD1 LEU A 61 14.691 13.588 -23.227 1.00 61.33 C ATOM 991 CD2 LEU A 61 13.670 15.752 -22.498 1.00 54.04 C ATOM 0 H LEU A 61 11.054 13.807 -25.146 1.00 70.11 H new ATOM 0 HA LEU A 61 11.869 16.467 -24.381 1.00 51.31 H new ATOM 0 HB2 LEU A 61 13.274 13.993 -25.425 1.00 62.10 H new ATOM 0 HB3 LEU A 61 14.126 15.499 -25.148 1.00 62.10 H new ATOM 0 HG LEU A 61 12.606 13.976 -23.012 1.00 55.50 H new ATOM 0 HD11 LEU A 61 14.830 13.320 -22.180 1.00 61.33 H new ATOM 0 HD12 LEU A 61 14.522 12.685 -23.813 1.00 61.33 H new ATOM 0 HD13 LEU A 61 15.583 14.097 -23.593 1.00 61.33 H new ATOM 0 HD21 LEU A 61 13.822 15.455 -21.460 1.00 54.04 H new ATOM 0 HD22 LEU A 61 14.537 16.314 -22.846 1.00 54.04 H new ATOM 0 HD23 LEU A 61 12.780 16.377 -22.570 1.00 54.04 H new ATOM 1003 N THR A 62 11.835 15.551 -27.544 1.00 60.44 N ATOM 1004 CA THR A 62 11.896 16.051 -28.911 1.00 14.41 C ATOM 1005 C THR A 62 10.798 17.076 -29.172 1.00 60.21 C ATOM 1006 O THR A 62 10.975 18.002 -29.964 1.00 1.10 O ATOM 1007 CB THR A 62 11.768 14.907 -29.935 1.00 32.31 C ATOM 1008 OG1 THR A 62 12.570 15.189 -31.088 1.00 24.30 O ATOM 1009 CG2 THR A 62 10.318 14.715 -30.353 1.00 23.44 C ATOM 0 H THR A 62 11.578 14.567 -27.466 1.00 60.44 H new ATOM 0 HA THR A 62 12.869 16.527 -29.029 1.00 14.41 H new ATOM 0 HB THR A 62 12.119 13.988 -29.466 1.00 32.31 H new ATOM 0 HG1 THR A 62 12.484 14.456 -31.733 1.00 24.30 H new ATOM 0 HG21 THR A 62 10.252 13.902 -31.076 1.00 23.44 H new ATOM 0 HG22 THR A 62 9.716 14.471 -29.478 1.00 23.44 H new ATOM 0 HG23 THR A 62 9.945 15.634 -30.805 1.00 23.44 H new ATOM 1017 N VAL A 63 9.664 16.905 -28.501 1.00 62.34 N ATOM 1018 CA VAL A 63 8.537 17.817 -28.657 1.00 12.35 C ATOM 1019 C VAL A 63 8.786 19.130 -27.924 1.00 62.20 C ATOM 1020 O VAL A 63 8.659 20.210 -28.501 1.00 2.22 O ATOM 1021 CB VAL A 63 7.231 17.190 -28.137 1.00 23.03 C ATOM 1022 CG1 VAL A 63 6.100 18.207 -28.170 1.00 12.04 C ATOM 1023 CG2 VAL A 63 6.872 15.955 -28.950 1.00 52.30 C ATOM 0 H VAL A 63 9.501 16.143 -27.843 1.00 62.34 H new ATOM 0 HA VAL A 63 8.436 18.015 -29.724 1.00 12.35 H new ATOM 0 HB VAL A 63 7.383 16.884 -27.102 1.00 23.03 H new ATOM 0 HG11 VAL A 63 5.185 17.746 -27.799 1.00 12.04 H new ATOM 0 HG12 VAL A 63 6.358 19.059 -27.541 1.00 12.04 H new ATOM 0 HG13 VAL A 63 5.946 18.546 -29.194 1.00 12.04 H new ATOM 0 HG21 VAL A 63 5.946 15.525 -28.568 1.00 52.30 H new ATOM 0 HG22 VAL A 63 6.739 16.234 -29.995 1.00 52.30 H new ATOM 0 HG23 VAL A 63 7.674 15.221 -28.869 1.00 52.30 H new ATOM 1033 N LEU A 64 9.141 19.030 -26.648 1.00 72.51 N ATOM 1034 CA LEU A 64 9.409 20.210 -25.833 1.00 63.34 C ATOM 1035 C LEU A 64 10.754 20.828 -26.196 1.00 50.33 C ATOM 1036 O LEU A 64 11.064 21.948 -25.788 1.00 33.22 O ATOM 1037 CB LEU A 64 9.387 19.844 -24.347 1.00 23.12 C ATOM 1038 CG LEU A 64 8.190 19.013 -23.878 1.00 52.40 C ATOM 1039 CD1 LEU A 64 8.530 18.266 -22.598 1.00 22.52 C ATOM 1040 CD2 LEU A 64 6.973 19.903 -23.672 1.00 34.35 C ATOM 0 H LEU A 64 9.250 18.144 -26.155 1.00 72.51 H new ATOM 0 HA LEU A 64 8.628 20.943 -26.032 1.00 63.34 H new ATOM 0 HB2 LEU A 64 10.299 19.294 -24.115 1.00 23.12 H new ATOM 0 HB3 LEU A 64 9.414 20.766 -23.766 1.00 23.12 H new ATOM 0 HG LEU A 64 7.953 18.281 -24.650 1.00 52.40 H new ATOM 0 HD11 LEU A 64 7.668 17.680 -22.279 1.00 22.52 H new ATOM 0 HD12 LEU A 64 9.374 17.600 -22.778 1.00 22.52 H new ATOM 0 HD13 LEU A 64 8.792 18.981 -21.818 1.00 22.52 H new ATOM 0 HD21 LEU A 64 6.131 19.296 -23.339 1.00 34.35 H new ATOM 0 HD22 LEU A 64 7.198 20.658 -22.918 1.00 34.35 H new ATOM 0 HD23 LEU A 64 6.718 20.393 -24.611 1.00 34.35 H new ATOM 1052 N ASP A 65 11.550 20.093 -26.965 1.00 63.35 N ATOM 1053 CA ASP A 65 12.861 20.570 -27.386 1.00 53.43 C ATOM 1054 C ASP A 65 12.750 21.923 -28.082 1.00 71.12 C ATOM 1055 O ASP A 65 13.251 22.939 -27.600 1.00 41.10 O ATOM 1056 CB ASP A 65 13.521 19.556 -28.321 1.00 31.41 C ATOM 1057 CG ASP A 65 14.694 18.848 -27.672 1.00 34.12 C ATOM 1058 OD1 ASP A 65 14.730 18.777 -26.426 1.00 52.41 O ATOM 1059 OD2 ASP A 65 15.578 18.365 -28.411 1.00 63.51 O ATOM 0 H ASP A 65 11.309 19.164 -27.309 1.00 63.35 H new ATOM 0 HA ASP A 65 13.479 20.688 -26.496 1.00 53.43 H new ATOM 0 HB2 ASP A 65 12.782 18.818 -28.632 1.00 31.41 H new ATOM 0 HB3 ASP A 65 13.861 20.065 -29.223 1.00 31.41 H new ATOM 1064 N PRO A 66 12.077 21.939 -29.242 1.00 34.31 N ATOM 1065 CA PRO A 66 11.885 23.161 -30.029 1.00 23.51 C ATOM 1066 C PRO A 66 10.934 24.142 -29.352 1.00 32.22 C ATOM 1067 O PRO A 66 10.766 25.273 -29.808 1.00 32.15 O ATOM 1068 CB PRO A 66 11.281 22.648 -31.338 1.00 20.24 C ATOM 1069 CG PRO A 66 10.619 21.364 -30.974 1.00 64.44 C ATOM 1070 CD PRO A 66 11.454 20.765 -29.876 1.00 44.34 C ATOM 0 HA PRO A 66 12.816 23.712 -30.160 1.00 23.51 H new ATOM 0 HB2 PRO A 66 10.565 23.360 -31.749 1.00 20.24 H new ATOM 0 HB3 PRO A 66 12.050 22.496 -32.096 1.00 20.24 H new ATOM 0 HG2 PRO A 66 9.596 21.534 -30.638 1.00 64.44 H new ATOM 0 HG3 PRO A 66 10.566 20.695 -31.833 1.00 64.44 H new ATOM 0 HD2 PRO A 66 10.844 20.203 -29.169 1.00 44.34 H new ATOM 0 HD3 PRO A 66 12.202 20.077 -30.270 1.00 44.34 H new ATOM 1078 N MET A 67 10.314 23.702 -28.262 1.00 14.22 N ATOM 1079 CA MET A 67 9.381 24.544 -27.522 1.00 32.33 C ATOM 1080 C MET A 67 10.077 25.228 -26.351 1.00 73.35 C ATOM 1081 O MET A 67 9.618 26.259 -25.858 1.00 35.44 O ATOM 1082 CB MET A 67 8.202 23.710 -27.014 1.00 50.02 C ATOM 1083 CG MET A 67 7.356 23.112 -28.127 1.00 74.21 C ATOM 1084 SD MET A 67 5.874 24.080 -28.469 1.00 75.31 S ATOM 1085 CE MET A 67 4.669 22.778 -28.714 1.00 51.32 C ATOM 0 H MET A 67 10.441 22.768 -27.872 1.00 14.22 H new ATOM 0 HA MET A 67 9.009 25.313 -28.199 1.00 32.33 H new ATOM 0 HB2 MET A 67 8.581 22.905 -26.385 1.00 50.02 H new ATOM 0 HB3 MET A 67 7.570 24.336 -26.384 1.00 50.02 H new ATOM 0 HG2 MET A 67 7.955 23.039 -29.035 1.00 74.21 H new ATOM 0 HG3 MET A 67 7.067 22.097 -27.853 1.00 74.21 H new ATOM 0 HE1 MET A 67 3.697 23.219 -28.935 1.00 51.32 H new ATOM 0 HE2 MET A 67 4.979 22.147 -29.547 1.00 51.32 H new ATOM 0 HE3 MET A 67 4.596 22.175 -27.809 1.00 51.32 H new ATOM 1095 N VAL A 68 11.188 24.647 -25.907 1.00 71.21 N ATOM 1096 CA VAL A 68 11.949 25.202 -24.794 1.00 64.04 C ATOM 1097 C VAL A 68 12.038 26.720 -24.891 1.00 2.34 C ATOM 1098 O VAL A 68 11.640 27.450 -23.982 1.00 3.03 O ATOM 1099 CB VAL A 68 13.372 24.618 -24.741 1.00 74.14 C ATOM 1100 CG1 VAL A 68 14.345 25.632 -24.158 1.00 60.53 C ATOM 1101 CG2 VAL A 68 13.389 23.327 -23.934 1.00 2.10 C ATOM 0 H VAL A 68 11.581 23.792 -26.301 1.00 71.21 H new ATOM 0 HA VAL A 68 11.418 24.930 -23.882 1.00 64.04 H new ATOM 0 HB VAL A 68 13.689 24.389 -25.758 1.00 74.14 H new ATOM 0 HG11 VAL A 68 15.346 25.201 -24.129 1.00 60.53 H new ATOM 0 HG12 VAL A 68 14.354 26.527 -24.780 1.00 60.53 H new ATOM 0 HG13 VAL A 68 14.034 25.895 -23.147 1.00 60.53 H new ATOM 0 HG21 VAL A 68 14.403 22.928 -23.907 1.00 2.10 H new ATOM 0 HG22 VAL A 68 13.051 23.529 -22.917 1.00 2.10 H new ATOM 0 HG23 VAL A 68 12.725 22.599 -24.399 1.00 2.10 H new ATOM 1111 N PRO A 69 12.572 27.211 -26.020 1.00 70.03 N ATOM 1112 CA PRO A 69 12.725 28.648 -26.264 1.00 31.24 C ATOM 1113 C PRO A 69 11.386 29.345 -26.478 1.00 0.12 C ATOM 1114 O PRO A 69 11.212 30.507 -26.109 1.00 62.23 O ATOM 1115 CB PRO A 69 13.566 28.703 -27.541 1.00 55.45 C ATOM 1116 CG PRO A 69 13.291 27.413 -28.232 1.00 32.22 C ATOM 1117 CD PRO A 69 13.067 26.400 -27.145 1.00 22.30 C ATOM 0 HA PRO A 69 13.179 29.160 -25.415 1.00 31.24 H new ATOM 0 HB2 PRO A 69 13.286 29.553 -28.163 1.00 55.45 H new ATOM 0 HB3 PRO A 69 14.626 28.811 -27.312 1.00 55.45 H new ATOM 0 HG2 PRO A 69 12.415 27.494 -28.876 1.00 32.22 H new ATOM 0 HG3 PRO A 69 14.128 27.125 -28.868 1.00 32.22 H new ATOM 0 HD2 PRO A 69 12.342 25.643 -27.444 1.00 22.30 H new ATOM 0 HD3 PRO A 69 13.988 25.876 -26.888 1.00 22.30 H new ATOM 1125 N THR A 70 10.440 28.629 -27.079 1.00 61.20 N ATOM 1126 CA THR A 70 9.117 29.179 -27.343 1.00 30.12 C ATOM 1127 C THR A 70 8.069 28.556 -26.428 1.00 45.14 C ATOM 1128 O THR A 70 6.979 28.198 -26.870 1.00 62.22 O ATOM 1129 CB THR A 70 8.699 28.957 -28.809 1.00 41.22 C ATOM 1130 OG1 THR A 70 9.854 28.962 -29.655 1.00 50.22 O ATOM 1131 CG2 THR A 70 7.727 30.036 -29.265 1.00 63.33 C ATOM 0 H THR A 70 10.566 27.666 -27.392 1.00 61.20 H new ATOM 0 HA THR A 70 9.175 30.250 -27.147 1.00 30.12 H new ATOM 0 HB THR A 70 8.202 27.989 -28.878 1.00 41.22 H new ATOM 0 HG1 THR A 70 9.579 28.819 -30.585 1.00 50.22 H new ATOM 0 HG21 THR A 70 7.446 29.858 -30.303 1.00 63.33 H new ATOM 0 HG22 THR A 70 6.835 30.011 -28.639 1.00 63.33 H new ATOM 0 HG23 THR A 70 8.202 31.013 -29.180 1.00 63.33 H new ATOM 1139 N GLY A 71 8.407 28.430 -25.148 1.00 15.43 N ATOM 1140 CA GLY A 71 7.484 27.850 -24.190 1.00 11.13 C ATOM 1141 C GLY A 71 7.547 28.532 -22.839 1.00 40.34 C ATOM 1142 O GLY A 71 8.591 29.053 -22.446 1.00 32.23 O ATOM 0 H GLY A 71 9.304 28.719 -24.758 1.00 15.43 H new ATOM 0 HA2 GLY A 71 6.469 27.918 -24.581 1.00 11.13 H new ATOM 0 HA3 GLY A 71 7.709 26.790 -24.069 1.00 11.13 H new ATOM 1146 N SER A 72 6.425 28.531 -22.125 1.00 53.33 N ATOM 1147 CA SER A 72 6.356 29.160 -20.811 1.00 53.35 C ATOM 1148 C SER A 72 7.197 28.392 -19.795 1.00 1.02 C ATOM 1149 O SER A 72 7.787 27.361 -20.117 1.00 62.23 O ATOM 1150 CB SER A 72 4.904 29.235 -20.334 1.00 22.03 C ATOM 1151 OG SER A 72 4.564 28.101 -19.555 1.00 43.12 O ATOM 0 H SER A 72 5.553 28.102 -22.434 1.00 53.33 H new ATOM 0 HA SER A 72 6.756 30.170 -20.898 1.00 53.35 H new ATOM 0 HB2 SER A 72 4.757 30.141 -19.746 1.00 22.03 H new ATOM 0 HB3 SER A 72 4.238 29.302 -21.194 1.00 22.03 H new ATOM 0 HG SER A 72 3.632 28.174 -19.261 1.00 43.12 H new ATOM 1157 N GLU A 73 7.247 28.904 -18.570 1.00 61.33 N ATOM 1158 CA GLU A 73 8.017 28.267 -17.507 1.00 5.43 C ATOM 1159 C GLU A 73 7.554 26.830 -17.287 1.00 70.31 C ATOM 1160 O GLU A 73 8.369 25.924 -17.111 1.00 45.53 O ATOM 1161 CB GLU A 73 7.887 29.062 -16.206 1.00 3.05 C ATOM 1162 CG GLU A 73 8.879 28.641 -15.135 1.00 52.32 C ATOM 1163 CD GLU A 73 10.310 28.990 -15.496 1.00 44.13 C ATOM 1164 OE1 GLU A 73 10.512 29.983 -16.227 1.00 24.43 O ATOM 1165 OE2 GLU A 73 11.228 28.271 -15.049 1.00 61.34 O ATOM 0 H GLU A 73 6.764 29.757 -18.288 1.00 61.33 H new ATOM 0 HA GLU A 73 9.064 28.251 -17.811 1.00 5.43 H new ATOM 0 HB2 GLU A 73 8.026 30.121 -16.422 1.00 3.05 H new ATOM 0 HB3 GLU A 73 6.875 28.946 -15.818 1.00 3.05 H new ATOM 0 HG2 GLU A 73 8.618 29.124 -14.193 1.00 52.32 H new ATOM 0 HG3 GLU A 73 8.801 27.566 -14.975 1.00 52.32 H new ATOM 1172 N ASN A 74 6.240 26.629 -17.298 1.00 13.03 N ATOM 1173 CA ASN A 74 5.668 25.302 -17.098 1.00 12.42 C ATOM 1174 C ASN A 74 6.181 24.325 -18.152 1.00 43.23 C ATOM 1175 O ASN A 74 6.162 23.110 -17.948 1.00 54.42 O ATOM 1176 CB ASN A 74 4.141 25.370 -17.150 1.00 64.22 C ATOM 1177 CG ASN A 74 3.560 26.198 -16.020 1.00 40.14 C ATOM 1178 OD1 ASN A 74 4.230 26.463 -15.021 1.00 13.44 O ATOM 1179 ND2 ASN A 74 2.308 26.612 -16.173 1.00 62.44 N ATOM 0 H ASN A 74 5.552 27.368 -17.443 1.00 13.03 H new ATOM 0 HA ASN A 74 5.976 24.944 -16.116 1.00 12.42 H new ATOM 0 HB2 ASN A 74 3.831 25.795 -18.105 1.00 64.22 H new ATOM 0 HB3 ASN A 74 3.733 24.360 -17.104 1.00 64.22 H new ATOM 0 HD21 ASN A 74 1.864 27.173 -15.446 1.00 62.44 H new ATOM 0 HD22 ASN A 74 1.790 26.369 -17.017 1.00 62.44 H new ATOM 1186 N LEU A 75 6.639 24.863 -19.277 1.00 63.52 N ATOM 1187 CA LEU A 75 7.157 24.038 -20.362 1.00 13.53 C ATOM 1188 C LEU A 75 8.619 23.675 -20.121 1.00 50.14 C ATOM 1189 O LEU A 75 9.076 22.602 -20.512 1.00 55.05 O ATOM 1190 CB LEU A 75 7.016 24.771 -21.698 1.00 30.34 C ATOM 1191 CG LEU A 75 7.090 23.900 -22.952 1.00 12.13 C ATOM 1192 CD1 LEU A 75 5.917 24.192 -23.875 1.00 22.30 C ATOM 1193 CD2 LEU A 75 8.410 24.122 -23.679 1.00 24.52 C ATOM 0 H LEU A 75 6.662 25.866 -19.461 1.00 63.52 H new ATOM 0 HA LEU A 75 6.574 23.118 -20.395 1.00 13.53 H new ATOM 0 HB2 LEU A 75 6.062 25.298 -21.702 1.00 30.34 H new ATOM 0 HB3 LEU A 75 7.798 25.528 -21.759 1.00 30.34 H new ATOM 0 HG LEU A 75 7.036 22.855 -22.648 1.00 12.13 H new ATOM 0 HD11 LEU A 75 5.987 23.563 -24.762 1.00 22.30 H new ATOM 0 HD12 LEU A 75 4.983 23.982 -23.354 1.00 22.30 H new ATOM 0 HD13 LEU A 75 5.940 25.241 -24.171 1.00 22.30 H new ATOM 0 HD21 LEU A 75 8.445 23.494 -24.569 1.00 24.52 H new ATOM 0 HD22 LEU A 75 8.493 25.169 -23.970 1.00 24.52 H new ATOM 0 HD23 LEU A 75 9.237 23.862 -23.019 1.00 24.52 H new ATOM 1205 N LYS A 76 9.346 24.577 -19.471 1.00 74.05 N ATOM 1206 CA LYS A 76 10.756 24.353 -19.172 1.00 73.52 C ATOM 1207 C LYS A 76 10.917 23.425 -17.972 1.00 31.24 C ATOM 1208 O LYS A 76 11.791 22.559 -17.958 1.00 75.02 O ATOM 1209 CB LYS A 76 11.459 25.684 -18.898 1.00 35.03 C ATOM 1210 CG LYS A 76 11.779 26.473 -20.156 1.00 10.11 C ATOM 1211 CD LYS A 76 13.028 27.320 -19.981 1.00 60.12 C ATOM 1212 CE LYS A 76 13.451 27.967 -21.290 1.00 53.54 C ATOM 1213 NZ LYS A 76 13.924 29.366 -21.091 1.00 20.20 N ATOM 0 H LYS A 76 8.982 25.471 -19.141 1.00 74.05 H new ATOM 0 HA LYS A 76 11.214 23.879 -20.040 1.00 73.52 H new ATOM 0 HB2 LYS A 76 10.828 26.291 -18.249 1.00 35.03 H new ATOM 0 HB3 LYS A 76 12.384 25.492 -18.355 1.00 35.03 H new ATOM 0 HG2 LYS A 76 11.918 25.787 -20.991 1.00 10.11 H new ATOM 0 HG3 LYS A 76 10.935 27.115 -20.408 1.00 10.11 H new ATOM 0 HD2 LYS A 76 12.843 28.093 -19.235 1.00 60.12 H new ATOM 0 HD3 LYS A 76 13.840 26.699 -19.602 1.00 60.12 H new ATOM 0 HE2 LYS A 76 14.245 27.377 -21.747 1.00 53.54 H new ATOM 0 HE3 LYS A 76 12.611 27.963 -21.985 1.00 53.54 H new ATOM 0 HZ1 LYS A 76 14.203 29.772 -22.007 1.00 20.20 H new ATOM 0 HZ2 LYS A 76 13.158 29.936 -20.679 1.00 20.20 H new ATOM 0 HZ3 LYS A 76 14.741 29.368 -20.448 1.00 20.20 H new ATOM 1227 N SER A 77 10.065 23.610 -16.968 1.00 32.15 N ATOM 1228 CA SER A 77 10.115 22.791 -15.763 1.00 63.11 C ATOM 1229 C SER A 77 10.002 21.309 -16.108 1.00 3.21 C ATOM 1230 O SER A 77 10.807 20.492 -15.659 1.00 31.42 O ATOM 1231 CB SER A 77 8.992 23.189 -14.803 1.00 1.24 C ATOM 1232 OG SER A 77 9.511 23.810 -13.641 1.00 52.43 O ATOM 0 H SER A 77 9.332 24.320 -16.966 1.00 32.15 H new ATOM 0 HA SER A 77 11.076 22.961 -15.278 1.00 63.11 H new ATOM 0 HB2 SER A 77 8.304 23.868 -15.306 1.00 1.24 H new ATOM 0 HB3 SER A 77 8.419 22.305 -14.522 1.00 1.24 H new ATOM 0 HG SER A 77 8.773 24.056 -13.045 1.00 52.43 H new ATOM 1238 N LEU A 78 8.998 20.969 -16.909 1.00 45.13 N ATOM 1239 CA LEU A 78 8.778 19.586 -17.316 1.00 21.51 C ATOM 1240 C LEU A 78 9.944 19.073 -18.154 1.00 60.23 C ATOM 1241 O LEU A 78 10.418 17.954 -17.957 1.00 74.43 O ATOM 1242 CB LEU A 78 7.475 19.468 -18.109 1.00 4.35 C ATOM 1243 CG LEU A 78 7.258 18.149 -18.852 1.00 72.32 C ATOM 1244 CD1 LEU A 78 7.135 16.997 -17.867 1.00 71.43 C ATOM 1245 CD2 LEU A 78 6.021 18.232 -19.735 1.00 74.13 C ATOM 0 H LEU A 78 8.323 21.633 -17.289 1.00 45.13 H new ATOM 0 HA LEU A 78 8.705 18.976 -16.416 1.00 21.51 H new ATOM 0 HB2 LEU A 78 6.641 19.617 -17.423 1.00 4.35 H new ATOM 0 HB3 LEU A 78 7.440 20.281 -18.835 1.00 4.35 H new ATOM 0 HG LEU A 78 8.123 17.965 -19.489 1.00 72.32 H new ATOM 0 HD11 LEU A 78 6.981 16.066 -18.413 1.00 71.43 H new ATOM 0 HD12 LEU A 78 8.048 16.924 -17.276 1.00 71.43 H new ATOM 0 HD13 LEU A 78 6.288 17.174 -17.205 1.00 71.43 H new ATOM 0 HD21 LEU A 78 5.882 17.285 -20.256 1.00 74.13 H new ATOM 0 HD22 LEU A 78 5.147 18.438 -19.118 1.00 74.13 H new ATOM 0 HD23 LEU A 78 6.148 19.032 -20.464 1.00 74.13 H new ATOM 1257 N PHE A 79 10.404 19.899 -19.087 1.00 40.21 N ATOM 1258 CA PHE A 79 11.517 19.529 -19.954 1.00 20.44 C ATOM 1259 C PHE A 79 12.694 19.006 -19.136 1.00 21.34 C ATOM 1260 O PHE A 79 13.403 18.095 -19.562 1.00 41.23 O ATOM 1261 CB PHE A 79 11.958 20.730 -20.793 1.00 51.42 C ATOM 1262 CG PHE A 79 13.013 20.396 -21.810 1.00 41.25 C ATOM 1263 CD1 PHE A 79 12.768 19.456 -22.797 1.00 52.42 C ATOM 1264 CD2 PHE A 79 14.249 21.023 -21.777 1.00 63.13 C ATOM 1265 CE1 PHE A 79 13.736 19.147 -23.734 1.00 10.24 C ATOM 1266 CE2 PHE A 79 15.220 20.718 -22.711 1.00 24.31 C ATOM 1267 CZ PHE A 79 14.964 19.778 -23.691 1.00 44.14 C ATOM 0 H PHE A 79 10.024 20.829 -19.262 1.00 40.21 H new ATOM 0 HA PHE A 79 11.178 18.734 -20.619 1.00 20.44 H new ATOM 0 HB2 PHE A 79 11.089 21.144 -21.305 1.00 51.42 H new ATOM 0 HB3 PHE A 79 12.337 21.507 -20.129 1.00 51.42 H new ATOM 0 HD1 PHE A 79 11.810 18.959 -22.835 1.00 52.42 H new ATOM 0 HD2 PHE A 79 14.455 21.758 -21.013 1.00 63.13 H new ATOM 0 HE1 PHE A 79 13.532 18.413 -24.499 1.00 10.24 H new ATOM 0 HE2 PHE A 79 16.179 21.214 -22.675 1.00 24.31 H new ATOM 0 HZ PHE A 79 15.722 19.537 -24.421 1.00 44.14 H new ATOM 1277 N ASN A 80 12.894 19.589 -17.959 1.00 10.40 N ATOM 1278 CA ASN A 80 13.985 19.183 -17.080 1.00 11.02 C ATOM 1279 C ASN A 80 13.716 17.807 -16.480 1.00 62.24 C ATOM 1280 O ASN A 80 14.495 16.871 -16.668 1.00 43.13 O ATOM 1281 CB ASN A 80 14.177 20.212 -15.963 1.00 35.44 C ATOM 1282 CG ASN A 80 15.113 21.335 -16.366 1.00 12.54 C ATOM 1283 OD1 ASN A 80 16.069 21.124 -17.112 1.00 13.12 O ATOM 1284 ND2 ASN A 80 14.840 22.537 -15.874 1.00 41.42 N ATOM 0 H ASN A 80 12.315 20.344 -17.591 1.00 10.40 H new ATOM 0 HA ASN A 80 14.897 19.128 -17.674 1.00 11.02 H new ATOM 0 HB2 ASN A 80 13.209 20.631 -15.688 1.00 35.44 H new ATOM 0 HB3 ASN A 80 14.572 19.714 -15.078 1.00 35.44 H new ATOM 0 HD21 ASN A 80 15.434 23.332 -16.111 1.00 41.42 H new ATOM 0 HD22 ASN A 80 14.037 22.666 -15.259 1.00 41.42 H new ATOM 1291 N THR A 81 12.608 17.690 -15.754 1.00 0.45 N ATOM 1292 CA THR A 81 12.235 16.429 -15.126 1.00 54.32 C ATOM 1293 C THR A 81 12.297 15.278 -16.123 1.00 63.31 C ATOM 1294 O THR A 81 12.734 14.176 -15.789 1.00 41.23 O ATOM 1295 CB THR A 81 10.819 16.498 -14.524 1.00 11.24 C ATOM 1296 OG1 THR A 81 10.717 17.617 -13.637 1.00 52.21 O ATOM 1297 CG2 THR A 81 10.487 15.218 -13.773 1.00 34.35 C ATOM 0 H THR A 81 11.953 18.454 -15.587 1.00 0.45 H new ATOM 0 HA THR A 81 12.953 16.250 -14.326 1.00 54.32 H new ATOM 0 HB THR A 81 10.107 16.617 -15.341 1.00 11.24 H new ATOM 0 HG1 THR A 81 9.813 17.654 -13.260 1.00 52.21 H new ATOM 0 HG21 THR A 81 9.482 15.291 -13.357 1.00 34.35 H new ATOM 0 HG22 THR A 81 10.536 14.371 -14.458 1.00 34.35 H new ATOM 0 HG23 THR A 81 11.205 15.073 -12.965 1.00 34.35 H new ATOM 1305 N VAL A 82 11.856 15.539 -17.350 1.00 53.35 N ATOM 1306 CA VAL A 82 11.863 14.524 -18.396 1.00 3.44 C ATOM 1307 C VAL A 82 13.279 14.030 -18.673 1.00 44.41 C ATOM 1308 O VAL A 82 13.498 12.840 -18.899 1.00 62.53 O ATOM 1309 CB VAL A 82 11.254 15.065 -19.704 1.00 32.33 C ATOM 1310 CG1 VAL A 82 11.284 13.997 -20.788 1.00 73.14 C ATOM 1311 CG2 VAL A 82 9.835 15.556 -19.467 1.00 24.44 C ATOM 0 H VAL A 82 11.490 16.445 -17.643 1.00 53.35 H new ATOM 0 HA VAL A 82 11.256 13.693 -18.037 1.00 3.44 H new ATOM 0 HB VAL A 82 11.854 15.910 -20.043 1.00 32.33 H new ATOM 0 HG11 VAL A 82 10.850 14.397 -21.705 1.00 73.14 H new ATOM 0 HG12 VAL A 82 12.315 13.698 -20.975 1.00 73.14 H new ATOM 0 HG13 VAL A 82 10.708 13.131 -20.462 1.00 73.14 H new ATOM 0 HG21 VAL A 82 9.420 15.935 -20.401 1.00 24.44 H new ATOM 0 HG22 VAL A 82 9.221 14.732 -19.105 1.00 24.44 H new ATOM 0 HG23 VAL A 82 9.845 16.354 -18.725 1.00 24.44 H new ATOM 1321 N CYS A 83 14.235 14.951 -18.654 1.00 71.21 N ATOM 1322 CA CYS A 83 15.631 14.609 -18.904 1.00 52.21 C ATOM 1323 C CYS A 83 16.150 13.640 -17.847 1.00 41.52 C ATOM 1324 O CYS A 83 16.956 12.756 -18.141 1.00 51.42 O ATOM 1325 CB CYS A 83 16.492 15.873 -18.922 1.00 1.03 C ATOM 1326 SG CYS A 83 16.848 16.500 -20.580 1.00 20.23 S ATOM 0 H CYS A 83 14.070 15.940 -18.468 1.00 71.21 H new ATOM 0 HA CYS A 83 15.692 14.123 -19.878 1.00 52.21 H new ATOM 0 HB2 CYS A 83 15.987 16.652 -18.351 1.00 1.03 H new ATOM 0 HB3 CYS A 83 17.434 15.666 -18.414 1.00 1.03 H new ATOM 0 HG CYS A 83 16.573 17.769 -20.632 1.00 20.23 H new ATOM 1332 N VAL A 84 15.686 13.813 -16.613 1.00 3.41 N ATOM 1333 CA VAL A 84 16.104 12.955 -15.512 1.00 62.41 C ATOM 1334 C VAL A 84 15.514 11.555 -15.650 1.00 4.25 C ATOM 1335 O VAL A 84 16.216 10.557 -15.491 1.00 42.12 O ATOM 1336 CB VAL A 84 15.684 13.544 -14.151 1.00 33.14 C ATOM 1337 CG1 VAL A 84 16.108 12.622 -13.017 1.00 4.11 C ATOM 1338 CG2 VAL A 84 16.275 14.933 -13.968 1.00 50.31 C ATOM 0 H VAL A 84 15.020 14.540 -16.351 1.00 3.41 H new ATOM 0 HA VAL A 84 17.191 12.894 -15.554 1.00 62.41 H new ATOM 0 HB VAL A 84 14.598 13.630 -14.131 1.00 33.14 H new ATOM 0 HG11 VAL A 84 15.803 13.054 -12.064 1.00 4.11 H new ATOM 0 HG12 VAL A 84 15.634 11.649 -13.143 1.00 4.11 H new ATOM 0 HG13 VAL A 84 17.191 12.502 -13.031 1.00 4.11 H new ATOM 0 HG21 VAL A 84 15.969 15.334 -13.002 1.00 50.31 H new ATOM 0 HG22 VAL A 84 17.363 14.874 -14.008 1.00 50.31 H new ATOM 0 HG23 VAL A 84 15.918 15.588 -14.763 1.00 50.31 H new ATOM 1348 N ILE A 85 14.222 11.491 -15.949 1.00 5.12 N ATOM 1349 CA ILE A 85 13.537 10.214 -16.112 1.00 53.13 C ATOM 1350 C ILE A 85 14.204 9.367 -17.191 1.00 53.32 C ATOM 1351 O ILE A 85 14.416 8.168 -17.010 1.00 41.22 O ATOM 1352 CB ILE A 85 12.054 10.412 -16.474 1.00 21.14 C ATOM 1353 CG1 ILE A 85 11.320 11.126 -15.338 1.00 25.02 C ATOM 1354 CG2 ILE A 85 11.399 9.072 -16.775 1.00 53.22 C ATOM 1355 CD1 ILE A 85 10.952 10.215 -14.188 1.00 33.44 C ATOM 0 H ILE A 85 13.627 12.309 -16.084 1.00 5.12 H new ATOM 0 HA ILE A 85 13.602 9.697 -15.155 1.00 53.13 H new ATOM 0 HB ILE A 85 11.993 11.033 -17.368 1.00 21.14 H new ATOM 0 HG12 ILE A 85 11.947 11.935 -14.963 1.00 25.02 H new ATOM 0 HG13 ILE A 85 10.413 11.583 -15.733 1.00 25.02 H new ATOM 0 HG21 ILE A 85 10.351 9.228 -17.029 1.00 53.22 H new ATOM 0 HG22 ILE A 85 11.909 8.598 -17.614 1.00 53.22 H new ATOM 0 HG23 ILE A 85 11.467 8.428 -15.898 1.00 53.22 H new ATOM 0 HD11 ILE A 85 10.435 10.790 -13.420 1.00 33.44 H new ATOM 0 HD12 ILE A 85 10.299 9.420 -14.548 1.00 33.44 H new ATOM 0 HD13 ILE A 85 11.857 9.778 -13.766 1.00 33.44 H new ATOM 1367 N TRP A 86 14.533 9.999 -18.311 1.00 15.14 N ATOM 1368 CA TRP A 86 15.178 9.303 -19.420 1.00 52.44 C ATOM 1369 C TRP A 86 16.556 8.793 -19.014 1.00 62.02 C ATOM 1370 O TRP A 86 16.944 7.679 -19.368 1.00 74.21 O ATOM 1371 CB TRP A 86 15.301 10.232 -20.629 1.00 15.13 C ATOM 1372 CG TRP A 86 15.953 9.582 -21.813 1.00 44.11 C ATOM 1373 CD1 TRP A 86 15.324 9.003 -22.878 1.00 15.30 C ATOM 1374 CD2 TRP A 86 17.357 9.446 -22.049 1.00 35.53 C ATOM 1375 NE1 TRP A 86 16.255 8.514 -23.763 1.00 42.03 N ATOM 1376 CE2 TRP A 86 17.509 8.773 -23.278 1.00 32.41 C ATOM 1377 CE3 TRP A 86 18.502 9.826 -21.344 1.00 74.13 C ATOM 1378 CZ2 TRP A 86 18.759 8.474 -23.813 1.00 21.42 C ATOM 1379 CZ3 TRP A 86 19.742 9.528 -21.876 1.00 30.24 C ATOM 1380 CH2 TRP A 86 19.863 8.858 -23.101 1.00 34.11 C ATOM 0 H TRP A 86 14.364 10.991 -18.476 1.00 15.14 H new ATOM 0 HA TRP A 86 14.559 8.447 -19.689 1.00 52.44 H new ATOM 0 HB2 TRP A 86 14.308 10.578 -20.915 1.00 15.13 H new ATOM 0 HB3 TRP A 86 15.876 11.113 -20.344 1.00 15.13 H new ATOM 0 HD1 TRP A 86 14.254 8.939 -23.006 1.00 15.30 H new ATOM 0 HE1 TRP A 86 16.046 8.036 -24.639 1.00 42.03 H new ATOM 0 HE3 TRP A 86 18.419 10.344 -20.400 1.00 74.13 H new ATOM 0 HZ2 TRP A 86 18.854 7.957 -24.757 1.00 21.42 H new ATOM 0 HZ3 TRP A 86 20.633 9.816 -21.339 1.00 30.24 H new ATOM 0 HH2 TRP A 86 20.846 8.640 -23.491 1.00 34.11 H new ATOM 1391 N CYS A 87 17.291 9.612 -18.269 1.00 21.11 N ATOM 1392 CA CYS A 87 18.627 9.242 -17.815 1.00 61.40 C ATOM 1393 C CYS A 87 18.583 7.967 -16.980 1.00 31.50 C ATOM 1394 O CYS A 87 19.358 7.036 -17.207 1.00 3.52 O ATOM 1395 CB CYS A 87 19.245 10.379 -17.000 1.00 45.02 C ATOM 1396 SG CYS A 87 20.137 11.598 -17.993 1.00 12.41 S ATOM 0 H CYS A 87 16.984 10.537 -17.967 1.00 21.11 H new ATOM 0 HA CYS A 87 19.245 9.058 -18.694 1.00 61.40 H new ATOM 0 HB2 CYS A 87 18.455 10.886 -16.446 1.00 45.02 H new ATOM 0 HB3 CYS A 87 19.929 9.955 -16.265 1.00 45.02 H new ATOM 0 HG CYS A 87 19.311 12.517 -18.397 1.00 12.41 H new ATOM 1402 N ILE A 88 17.674 7.931 -16.011 1.00 2.14 N ATOM 1403 CA ILE A 88 17.530 6.770 -15.141 1.00 0.44 C ATOM 1404 C ILE A 88 17.429 5.484 -15.954 1.00 74.42 C ATOM 1405 O ILE A 88 18.082 4.486 -15.642 1.00 2.33 O ATOM 1406 CB ILE A 88 16.289 6.893 -14.239 1.00 2.11 C ATOM 1407 CG1 ILE A 88 16.380 8.154 -13.377 1.00 71.21 C ATOM 1408 CG2 ILE A 88 16.145 5.657 -13.364 1.00 52.11 C ATOM 1409 CD1 ILE A 88 15.043 8.627 -12.854 1.00 63.10 C ATOM 0 H ILE A 88 17.026 8.693 -15.809 1.00 2.14 H new ATOM 0 HA ILE A 88 18.421 6.732 -14.515 1.00 0.44 H new ATOM 0 HB ILE A 88 15.405 6.971 -14.872 1.00 2.11 H new ATOM 0 HG12 ILE A 88 17.043 7.960 -12.534 1.00 71.21 H new ATOM 0 HG13 ILE A 88 16.835 8.953 -13.963 1.00 71.21 H new ATOM 0 HG21 ILE A 88 15.263 5.759 -12.732 1.00 52.11 H new ATOM 0 HG22 ILE A 88 16.039 4.775 -13.995 1.00 52.11 H new ATOM 0 HG23 ILE A 88 17.030 5.550 -12.737 1.00 52.11 H new ATOM 0 HD11 ILE A 88 15.185 9.524 -12.252 1.00 63.10 H new ATOM 0 HD12 ILE A 88 14.384 8.853 -13.692 1.00 63.10 H new ATOM 0 HD13 ILE A 88 14.595 7.845 -12.240 1.00 63.10 H new ATOM 1421 N HIS A 89 16.607 5.513 -16.998 1.00 74.12 N ATOM 1422 CA HIS A 89 16.421 4.349 -17.858 1.00 34.13 C ATOM 1423 C HIS A 89 17.607 4.179 -18.804 1.00 33.33 C ATOM 1424 O HIS A 89 18.032 3.037 -18.978 1.00 51.30 O ATOM 1425 CB HIS A 89 15.129 4.485 -18.664 1.00 2.14 C ATOM 1426 CG HIS A 89 13.891 4.445 -17.822 1.00 70.44 C ATOM 1427 ND1 HIS A 89 13.687 3.510 -16.828 1.00 21.43 N ATOM 1428 CD2 HIS A 89 12.789 5.231 -17.827 1.00 52.24 C ATOM 1429 CE1 HIS A 89 12.513 3.723 -16.260 1.00 35.45 C ATOM 1430 NE2 HIS A 89 11.949 4.763 -16.848 1.00 75.14 N ATOM 0 H HIS A 89 16.059 6.329 -17.269 1.00 74.12 H new ATOM 0 HA HIS A 89 16.353 3.466 -17.223 1.00 34.13 H new ATOM 0 HB2 HIS A 89 15.152 5.424 -19.217 1.00 2.14 H new ATOM 0 HB3 HIS A 89 15.084 3.683 -19.400 1.00 2.14 H new ATOM 0 HD2 HIS A 89 12.605 6.071 -18.480 1.00 52.24 H new ATOM 0 HE1 HIS A 89 12.087 3.145 -15.453 1.00 35.45 H new ATOM 0 HE2 HIS A 89 11.037 5.155 -16.612 1.00 75.14 H new ATOM 1438 N ALA A 90 18.134 5.245 -19.397 1.00 45.44 N ATOM 1439 CA ALA A 90 19.268 5.131 -20.306 1.00 11.40 C ATOM 1440 C ALA A 90 20.478 4.530 -19.601 1.00 74.52 C ATOM 1441 O ALA A 90 21.421 4.073 -20.247 1.00 40.22 O ATOM 1442 CB ALA A 90 19.616 6.494 -20.887 1.00 55.11 C ATOM 0 H ALA A 90 17.794 6.197 -19.264 1.00 45.44 H new ATOM 0 HA ALA A 90 18.985 4.462 -21.119 1.00 11.40 H new ATOM 0 HB1 ALA A 90 20.464 6.395 -21.564 1.00 55.11 H new ATOM 0 HB2 ALA A 90 18.759 6.886 -21.434 1.00 55.11 H new ATOM 0 HB3 ALA A 90 19.874 7.179 -20.079 1.00 55.11 H new ATOM 1448 N GLU A 91 20.446 4.535 -18.271 1.00 34.53 N ATOM 1449 CA GLU A 91 21.543 3.989 -17.479 1.00 24.12 C ATOM 1450 C GLU A 91 22.803 4.835 -17.641 1.00 34.43 C ATOM 1451 O GLU A 91 23.872 4.316 -17.963 1.00 12.54 O ATOM 1452 CB GLU A 91 21.828 2.543 -17.890 1.00 10.11 C ATOM 1453 CG GLU A 91 20.594 1.657 -17.894 1.00 52.01 C ATOM 1454 CD GLU A 91 20.373 0.972 -19.228 1.00 23.34 C ATOM 1455 OE1 GLU A 91 20.553 1.633 -20.273 1.00 72.15 O ATOM 1456 OE2 GLU A 91 20.020 -0.226 -19.228 1.00 23.12 O ATOM 0 H GLU A 91 19.674 4.910 -17.720 1.00 34.53 H new ATOM 0 HA GLU A 91 21.246 4.008 -16.430 1.00 24.12 H new ATOM 0 HB2 GLU A 91 22.272 2.538 -18.886 1.00 10.11 H new ATOM 0 HB3 GLU A 91 22.567 2.120 -17.209 1.00 10.11 H new ATOM 0 HG2 GLU A 91 20.691 0.902 -17.114 1.00 52.01 H new ATOM 0 HG3 GLU A 91 19.719 2.258 -17.649 1.00 52.01 H new ATOM 1463 N GLU A 92 22.668 6.138 -17.417 1.00 62.25 N ATOM 1464 CA GLU A 92 23.795 7.054 -17.539 1.00 15.21 C ATOM 1465 C GLU A 92 24.068 7.762 -16.215 1.00 75.33 C ATOM 1466 O GLU A 92 23.182 8.399 -15.644 1.00 53.51 O ATOM 1467 CB GLU A 92 23.525 8.087 -18.636 1.00 60.33 C ATOM 1468 CG GLU A 92 23.587 7.514 -20.041 1.00 31.43 C ATOM 1469 CD GLU A 92 25.009 7.316 -20.528 1.00 14.24 C ATOM 1470 OE1 GLU A 92 25.832 6.781 -19.756 1.00 12.14 O ATOM 1471 OE2 GLU A 92 25.298 7.697 -21.682 1.00 54.33 O ATOM 0 H GLU A 92 21.790 6.583 -17.150 1.00 62.25 H new ATOM 0 HA GLU A 92 24.676 6.471 -17.807 1.00 15.21 H new ATOM 0 HB2 GLU A 92 22.540 8.526 -18.475 1.00 60.33 H new ATOM 0 HB3 GLU A 92 24.252 8.894 -18.550 1.00 60.33 H new ATOM 0 HG2 GLU A 92 23.063 6.558 -20.063 1.00 31.43 H new ATOM 0 HG3 GLU A 92 23.062 8.181 -20.725 1.00 31.43 H new ATOM 1478 N LYS A 93 25.300 7.644 -15.731 1.00 73.15 N ATOM 1479 CA LYS A 93 25.692 8.271 -14.474 1.00 4.14 C ATOM 1480 C LYS A 93 25.642 9.792 -14.587 1.00 73.41 C ATOM 1481 O LYS A 93 26.317 10.384 -15.429 1.00 22.45 O ATOM 1482 CB LYS A 93 27.100 7.824 -14.075 1.00 45.45 C ATOM 1483 CG LYS A 93 27.522 8.301 -12.696 1.00 5.41 C ATOM 1484 CD LYS A 93 28.976 8.741 -12.679 1.00 45.42 C ATOM 1485 CE LYS A 93 29.301 9.541 -11.426 1.00 13.22 C ATOM 1486 NZ LYS A 93 28.919 10.973 -11.567 1.00 61.41 N ATOM 0 H LYS A 93 26.045 7.120 -16.190 1.00 73.15 H new ATOM 0 HA LYS A 93 24.987 7.958 -13.704 1.00 4.14 H new ATOM 0 HB2 LYS A 93 27.148 6.735 -14.104 1.00 45.45 H new ATOM 0 HB3 LYS A 93 27.812 8.195 -14.812 1.00 45.45 H new ATOM 0 HG2 LYS A 93 26.886 9.131 -12.387 1.00 5.41 H new ATOM 0 HG3 LYS A 93 27.375 7.500 -11.972 1.00 5.41 H new ATOM 0 HD2 LYS A 93 29.623 7.865 -12.731 1.00 45.42 H new ATOM 0 HD3 LYS A 93 29.185 9.345 -13.562 1.00 45.42 H new ATOM 0 HE2 LYS A 93 28.778 9.108 -10.573 1.00 13.22 H new ATOM 0 HE3 LYS A 93 30.368 9.469 -11.216 1.00 13.22 H new ATOM 0 HZ1 LYS A 93 28.571 11.331 -10.655 1.00 61.41 H new ATOM 0 HZ2 LYS A 93 29.749 11.526 -11.863 1.00 61.41 H new ATOM 0 HZ3 LYS A 93 28.170 11.064 -12.282 1.00 61.41 H new ATOM 1500 N VAL A 94 24.841 10.417 -13.731 1.00 41.42 N ATOM 1501 CA VAL A 94 24.706 11.870 -13.733 1.00 41.04 C ATOM 1502 C VAL A 94 24.966 12.447 -12.346 1.00 22.12 C ATOM 1503 O VAL A 94 25.366 11.731 -11.428 1.00 65.11 O ATOM 1504 CB VAL A 94 23.304 12.303 -14.203 1.00 73.43 C ATOM 1505 CG1 VAL A 94 23.007 11.738 -15.583 1.00 64.40 C ATOM 1506 CG2 VAL A 94 22.247 11.865 -13.200 1.00 54.15 C ATOM 0 H VAL A 94 24.276 9.941 -13.028 1.00 41.42 H new ATOM 0 HA VAL A 94 25.450 12.257 -14.430 1.00 41.04 H new ATOM 0 HB VAL A 94 23.281 13.391 -14.268 1.00 73.43 H new ATOM 0 HG11 VAL A 94 22.013 12.054 -15.899 1.00 64.40 H new ATOM 0 HG12 VAL A 94 23.747 12.105 -16.294 1.00 64.40 H new ATOM 0 HG13 VAL A 94 23.047 10.649 -15.547 1.00 64.40 H new ATOM 0 HG21 VAL A 94 21.263 12.179 -13.548 1.00 54.15 H new ATOM 0 HG22 VAL A 94 22.267 10.780 -13.101 1.00 54.15 H new ATOM 0 HG23 VAL A 94 22.452 12.322 -12.232 1.00 54.15 H new ATOM 1516 N LYS A 95 24.736 13.748 -12.200 1.00 24.32 N ATOM 1517 CA LYS A 95 24.943 14.424 -10.925 1.00 32.24 C ATOM 1518 C LYS A 95 23.732 15.277 -10.559 1.00 62.05 C ATOM 1519 O LYS A 95 23.221 15.198 -9.442 1.00 22.40 O ATOM 1520 CB LYS A 95 26.196 15.300 -10.986 1.00 33.43 C ATOM 1521 CG LYS A 95 27.472 14.517 -11.249 1.00 12.41 C ATOM 1522 CD LYS A 95 28.266 15.116 -12.398 1.00 52.33 C ATOM 1523 CE LYS A 95 29.013 14.045 -13.178 1.00 53.55 C ATOM 1524 NZ LYS A 95 30.479 14.092 -12.920 1.00 1.42 N ATOM 0 H LYS A 95 24.406 14.355 -12.950 1.00 24.32 H new ATOM 0 HA LYS A 95 25.076 13.663 -10.156 1.00 32.24 H new ATOM 0 HB2 LYS A 95 26.070 16.047 -11.770 1.00 33.43 H new ATOM 0 HB3 LYS A 95 26.298 15.840 -10.045 1.00 33.43 H new ATOM 0 HG2 LYS A 95 28.086 14.506 -10.348 1.00 12.41 H new ATOM 0 HG3 LYS A 95 27.224 13.481 -11.478 1.00 12.41 H new ATOM 0 HD2 LYS A 95 27.592 15.651 -13.067 1.00 52.33 H new ATOM 0 HD3 LYS A 95 28.976 15.846 -12.009 1.00 52.33 H new ATOM 0 HE2 LYS A 95 28.628 13.062 -12.906 1.00 53.55 H new ATOM 0 HE3 LYS A 95 28.827 14.176 -14.244 1.00 53.55 H new ATOM 0 HZ1 LYS A 95 30.952 13.347 -13.470 1.00 1.42 H new ATOM 0 HZ2 LYS A 95 30.852 15.021 -13.203 1.00 1.42 H new ATOM 0 HZ3 LYS A 95 30.658 13.941 -11.907 1.00 1.42 H new ATOM 1538 N ASP A 96 23.279 16.090 -11.506 1.00 2.42 N ATOM 1539 CA ASP A 96 22.126 16.956 -11.284 1.00 70.12 C ATOM 1540 C ASP A 96 21.306 17.108 -12.560 1.00 24.34 C ATOM 1541 O ASP A 96 21.574 16.449 -13.566 1.00 41.32 O ATOM 1542 CB ASP A 96 22.582 18.330 -10.789 1.00 23.20 C ATOM 1543 CG ASP A 96 23.551 18.997 -11.745 1.00 41.22 C ATOM 1544 OD1 ASP A 96 23.123 19.378 -12.854 1.00 13.13 O ATOM 1545 OD2 ASP A 96 24.738 19.138 -11.382 1.00 42.50 O ATOM 0 H ASP A 96 23.692 16.168 -12.435 1.00 2.42 H new ATOM 0 HA ASP A 96 21.497 16.494 -10.523 1.00 70.12 H new ATOM 0 HB2 ASP A 96 21.711 18.971 -10.653 1.00 23.20 H new ATOM 0 HB3 ASP A 96 23.055 18.223 -9.813 1.00 23.20 H new ATOM 1550 N THR A 97 20.302 17.978 -12.514 1.00 54.14 N ATOM 1551 CA THR A 97 19.441 18.215 -13.665 1.00 62.52 C ATOM 1552 C THR A 97 20.244 18.717 -14.859 1.00 74.11 C ATOM 1553 O THR A 97 20.125 18.190 -15.965 1.00 63.50 O ATOM 1554 CB THR A 97 18.335 19.236 -13.339 1.00 12.34 C ATOM 1555 OG1 THR A 97 17.653 18.855 -12.140 1.00 34.43 O ATOM 1556 CG2 THR A 97 17.340 19.340 -14.485 1.00 62.14 C ATOM 0 H THR A 97 20.065 18.531 -11.690 1.00 54.14 H new ATOM 0 HA THR A 97 18.981 17.260 -13.916 1.00 62.52 H new ATOM 0 HB THR A 97 18.802 20.210 -13.195 1.00 12.34 H new ATOM 0 HG1 THR A 97 17.639 19.611 -11.517 1.00 34.43 H new ATOM 0 HG21 THR A 97 16.568 20.067 -14.232 1.00 62.14 H new ATOM 0 HG22 THR A 97 17.858 19.661 -15.389 1.00 62.14 H new ATOM 0 HG23 THR A 97 16.880 18.367 -14.657 1.00 62.14 H new ATOM 1564 N GLU A 98 21.065 19.737 -14.629 1.00 41.02 N ATOM 1565 CA GLU A 98 21.888 20.310 -15.687 1.00 31.35 C ATOM 1566 C GLU A 98 22.800 19.250 -16.299 1.00 33.00 C ATOM 1567 O GLU A 98 22.977 19.196 -17.516 1.00 53.11 O ATOM 1568 CB GLU A 98 22.727 21.467 -15.142 1.00 43.11 C ATOM 1569 CG GLU A 98 21.916 22.499 -14.376 1.00 24.24 C ATOM 1570 CD GLU A 98 22.356 23.920 -14.670 1.00 41.35 C ATOM 1571 OE1 GLU A 98 23.485 24.285 -14.280 1.00 10.12 O ATOM 1572 OE2 GLU A 98 21.570 24.668 -15.289 1.00 44.41 O ATOM 0 H GLU A 98 21.178 20.183 -13.719 1.00 41.02 H new ATOM 0 HA GLU A 98 21.224 20.688 -16.465 1.00 31.35 H new ATOM 0 HB2 GLU A 98 23.501 21.067 -14.487 1.00 43.11 H new ATOM 0 HB3 GLU A 98 23.235 21.959 -15.972 1.00 43.11 H new ATOM 0 HG2 GLU A 98 20.862 22.389 -14.630 1.00 24.24 H new ATOM 0 HG3 GLU A 98 22.008 22.308 -13.307 1.00 24.24 H new ATOM 1579 N GLY A 99 23.377 18.409 -15.446 1.00 10.33 N ATOM 1580 CA GLY A 99 24.265 17.364 -15.921 1.00 22.50 C ATOM 1581 C GLY A 99 23.532 16.293 -16.706 1.00 64.03 C ATOM 1582 O GLY A 99 24.009 15.840 -17.745 1.00 34.11 O ATOM 0 H GLY A 99 23.245 18.433 -14.435 1.00 10.33 H new ATOM 0 HA2 GLY A 99 25.038 17.806 -16.550 1.00 22.50 H new ATOM 0 HA3 GLY A 99 24.770 16.906 -15.070 1.00 22.50 H new ATOM 1586 N ALA A 100 22.368 15.888 -16.207 1.00 22.34 N ATOM 1587 CA ALA A 100 21.568 14.865 -16.869 1.00 13.32 C ATOM 1588 C ALA A 100 20.954 15.398 -18.159 1.00 63.11 C ATOM 1589 O ALA A 100 20.534 14.629 -19.023 1.00 24.44 O ATOM 1590 CB ALA A 100 20.480 14.359 -15.934 1.00 34.11 C ATOM 0 H ALA A 100 21.959 16.253 -15.347 1.00 22.34 H new ATOM 0 HA ALA A 100 22.225 14.035 -17.126 1.00 13.32 H new ATOM 0 HB1 ALA A 100 19.890 13.596 -16.441 1.00 34.11 H new ATOM 0 HB2 ALA A 100 20.937 13.931 -15.042 1.00 34.11 H new ATOM 0 HB3 ALA A 100 19.832 15.187 -15.648 1.00 34.11 H new ATOM 1596 N LYS A 101 20.903 16.720 -18.282 1.00 10.52 N ATOM 1597 CA LYS A 101 20.341 17.358 -19.468 1.00 65.15 C ATOM 1598 C LYS A 101 21.349 17.363 -20.612 1.00 23.11 C ATOM 1599 O LYS A 101 21.074 16.844 -21.693 1.00 24.05 O ATOM 1600 CB LYS A 101 19.911 18.790 -19.145 1.00 45.22 C ATOM 1601 CG LYS A 101 18.715 19.263 -19.953 1.00 24.14 C ATOM 1602 CD LYS A 101 18.875 20.708 -20.394 1.00 1.45 C ATOM 1603 CE LYS A 101 18.666 21.671 -19.235 1.00 72.31 C ATOM 1604 NZ LYS A 101 17.744 22.783 -19.597 1.00 25.42 N ATOM 0 H LYS A 101 21.244 17.371 -17.575 1.00 10.52 H new ATOM 0 HA LYS A 101 19.468 16.785 -19.780 1.00 65.15 H new ATOM 0 HB2 LYS A 101 19.672 18.858 -18.084 1.00 45.22 H new ATOM 0 HB3 LYS A 101 20.750 19.462 -19.326 1.00 45.22 H new ATOM 0 HG2 LYS A 101 18.592 18.626 -20.829 1.00 24.14 H new ATOM 0 HG3 LYS A 101 17.809 19.162 -19.356 1.00 24.14 H new ATOM 0 HD2 LYS A 101 19.870 20.853 -20.814 1.00 1.45 H new ATOM 0 HD3 LYS A 101 18.159 20.929 -21.186 1.00 1.45 H new ATOM 0 HE2 LYS A 101 18.262 21.128 -18.380 1.00 72.31 H new ATOM 0 HE3 LYS A 101 19.627 22.082 -18.927 1.00 72.31 H new ATOM 0 HZ1 LYS A 101 17.628 23.417 -18.781 1.00 25.42 H new ATOM 0 HZ2 LYS A 101 18.141 23.317 -20.396 1.00 25.42 H new ATOM 0 HZ3 LYS A 101 16.819 22.393 -19.867 1.00 25.42 H new ATOM 1618 N GLN A 102 22.514 17.952 -20.367 1.00 40.23 N ATOM 1619 CA GLN A 102 23.562 18.023 -21.378 1.00 41.23 C ATOM 1620 C GLN A 102 23.849 16.644 -21.962 1.00 53.22 C ATOM 1621 O GLN A 102 24.123 16.510 -23.155 1.00 50.32 O ATOM 1622 CB GLN A 102 24.839 18.614 -20.777 1.00 34.24 C ATOM 1623 CG GLN A 102 25.851 19.059 -21.820 1.00 12.44 C ATOM 1624 CD GLN A 102 26.463 20.409 -21.501 1.00 43.04 C ATOM 1625 OE1 GLN A 102 25.755 21.363 -21.178 1.00 2.42 O ATOM 1626 NE2 GLN A 102 27.785 20.497 -21.588 1.00 32.25 N ATOM 0 H GLN A 102 22.756 18.387 -19.477 1.00 40.23 H new ATOM 0 HA GLN A 102 23.214 18.671 -22.182 1.00 41.23 H new ATOM 0 HB2 GLN A 102 24.576 19.467 -20.151 1.00 34.24 H new ATOM 0 HB3 GLN A 102 25.302 17.872 -20.127 1.00 34.24 H new ATOM 0 HG2 GLN A 102 26.643 18.314 -21.893 1.00 12.44 H new ATOM 0 HG3 GLN A 102 25.366 19.106 -22.795 1.00 12.44 H new ATOM 0 HE21 GLN A 102 28.334 19.681 -21.859 1.00 32.25 H new ATOM 0 HE22 GLN A 102 28.252 21.380 -21.383 1.00 32.25 H new ATOM 1635 N ILE A 103 23.786 15.623 -21.114 1.00 70.02 N ATOM 1636 CA ILE A 103 24.040 14.255 -21.547 1.00 72.14 C ATOM 1637 C ILE A 103 22.947 13.766 -22.492 1.00 53.53 C ATOM 1638 O ILE A 103 23.207 12.984 -23.407 1.00 65.42 O ATOM 1639 CB ILE A 103 24.133 13.293 -20.348 1.00 52.02 C ATOM 1640 CG1 ILE A 103 25.352 13.634 -19.487 1.00 33.44 C ATOM 1641 CG2 ILE A 103 24.204 11.852 -20.829 1.00 75.02 C ATOM 1642 CD1 ILE A 103 25.430 12.834 -18.205 1.00 3.35 C ATOM 0 H ILE A 103 23.561 15.717 -20.124 1.00 70.02 H new ATOM 0 HA ILE A 103 24.995 14.262 -22.072 1.00 72.14 H new ATOM 0 HB ILE A 103 23.237 13.408 -19.738 1.00 52.02 H new ATOM 0 HG12 ILE A 103 26.257 13.461 -20.069 1.00 33.44 H new ATOM 0 HG13 ILE A 103 25.328 14.696 -19.242 1.00 33.44 H new ATOM 0 HG21 ILE A 103 24.269 11.184 -19.970 1.00 75.02 H new ATOM 0 HG22 ILE A 103 23.309 11.616 -21.405 1.00 75.02 H new ATOM 0 HG23 ILE A 103 25.085 11.721 -21.458 1.00 75.02 H new ATOM 0 HD11 ILE A 103 26.318 13.128 -17.646 1.00 3.35 H new ATOM 0 HD12 ILE A 103 24.542 13.025 -17.602 1.00 3.35 H new ATOM 0 HD13 ILE A 103 25.486 11.772 -18.442 1.00 3.35 H new ATOM 1654 N VAL A 104 21.724 14.234 -22.265 1.00 62.40 N ATOM 1655 CA VAL A 104 20.591 13.847 -23.097 1.00 22.23 C ATOM 1656 C VAL A 104 20.740 14.389 -24.514 1.00 14.25 C ATOM 1657 O VAL A 104 20.677 13.637 -25.488 1.00 64.13 O ATOM 1658 CB VAL A 104 19.262 14.350 -22.506 1.00 45.04 C ATOM 1659 CG1 VAL A 104 18.125 14.150 -23.496 1.00 1.43 C ATOM 1660 CG2 VAL A 104 18.963 13.645 -21.190 1.00 1.03 C ATOM 0 H VAL A 104 21.492 14.882 -21.512 1.00 62.40 H new ATOM 0 HA VAL A 104 20.578 12.757 -23.126 1.00 22.23 H new ATOM 0 HB VAL A 104 19.355 15.418 -22.308 1.00 45.04 H new ATOM 0 HG11 VAL A 104 17.194 14.512 -23.059 1.00 1.43 H new ATOM 0 HG12 VAL A 104 18.337 14.705 -24.410 1.00 1.43 H new ATOM 0 HG13 VAL A 104 18.028 13.090 -23.729 1.00 1.43 H new ATOM 0 HG21 VAL A 104 18.020 14.013 -20.786 1.00 1.03 H new ATOM 0 HG22 VAL A 104 18.890 12.571 -21.361 1.00 1.03 H new ATOM 0 HG23 VAL A 104 19.765 13.846 -20.479 1.00 1.03 H new ATOM 1670 N ARG A 105 20.940 15.698 -24.624 1.00 11.45 N ATOM 1671 CA ARG A 105 21.098 16.341 -25.923 1.00 51.30 C ATOM 1672 C ARG A 105 22.237 15.700 -26.712 1.00 41.15 C ATOM 1673 O ARG A 105 22.121 15.475 -27.917 1.00 72.32 O ATOM 1674 CB ARG A 105 21.365 17.837 -25.746 1.00 32.14 C ATOM 1675 CG ARG A 105 21.561 18.580 -27.058 1.00 60.01 C ATOM 1676 CD ARG A 105 23.021 18.938 -27.283 1.00 53.24 C ATOM 1677 NE ARG A 105 23.170 20.196 -28.009 1.00 34.32 N ATOM 1678 CZ ARG A 105 22.871 21.383 -27.494 1.00 65.41 C ATOM 1679 NH1 ARG A 105 22.408 21.473 -26.255 1.00 64.01 N ATOM 1680 NH2 ARG A 105 23.034 22.482 -28.218 1.00 51.41 N ATOM 0 H ARG A 105 20.997 16.334 -23.829 1.00 11.45 H new ATOM 0 HA ARG A 105 20.172 16.208 -26.482 1.00 51.30 H new ATOM 0 HB2 ARG A 105 20.531 18.285 -25.206 1.00 32.14 H new ATOM 0 HB3 ARG A 105 22.253 17.968 -25.128 1.00 32.14 H new ATOM 0 HG2 ARG A 105 21.205 17.963 -27.883 1.00 60.01 H new ATOM 0 HG3 ARG A 105 20.959 19.488 -27.056 1.00 60.01 H new ATOM 0 HD2 ARG A 105 23.528 19.012 -26.321 1.00 53.24 H new ATOM 0 HD3 ARG A 105 23.509 18.138 -27.840 1.00 53.24 H new ATOM 0 HE ARG A 105 23.523 20.161 -28.965 1.00 34.32 H new ATOM 0 HH11 ARG A 105 22.281 20.630 -25.696 1.00 64.01 H new ATOM 0 HH12 ARG A 105 22.179 22.386 -25.861 1.00 64.01 H new ATOM 0 HH21 ARG A 105 23.389 22.416 -29.172 1.00 51.41 H new ATOM 0 HH22 ARG A 105 22.804 23.393 -27.821 1.00 51.41 H new ATOM 1694 N ARG A 106 23.336 15.410 -26.024 1.00 73.43 N ATOM 1695 CA ARG A 106 24.496 14.798 -26.660 1.00 73.21 C ATOM 1696 C ARG A 106 24.091 13.554 -27.447 1.00 73.23 C ATOM 1697 O ARG A 106 24.605 13.301 -28.537 1.00 61.21 O ATOM 1698 CB ARG A 106 25.546 14.430 -25.610 1.00 51.10 C ATOM 1699 CG ARG A 106 26.747 13.692 -26.180 1.00 4.34 C ATOM 1700 CD ARG A 106 27.929 13.731 -25.225 1.00 33.34 C ATOM 1701 NE ARG A 106 28.682 12.479 -25.236 1.00 33.02 N ATOM 1702 CZ ARG A 106 29.837 12.310 -24.603 1.00 43.44 C ATOM 1703 NH1 ARG A 106 30.370 13.309 -23.911 1.00 64.01 N ATOM 1704 NH2 ARG A 106 30.462 11.141 -24.660 1.00 40.43 N ATOM 0 H ARG A 106 23.448 15.589 -25.026 1.00 73.43 H new ATOM 0 HA ARG A 106 24.924 15.523 -27.353 1.00 73.21 H new ATOM 0 HB2 ARG A 106 25.890 15.340 -25.118 1.00 51.10 H new ATOM 0 HB3 ARG A 106 25.080 13.810 -24.844 1.00 51.10 H new ATOM 0 HG2 ARG A 106 26.476 12.656 -26.383 1.00 4.34 H new ATOM 0 HG3 ARG A 106 27.032 14.139 -27.132 1.00 4.34 H new ATOM 0 HD2 ARG A 106 28.589 14.554 -25.499 1.00 33.34 H new ATOM 0 HD3 ARG A 106 27.572 13.931 -24.215 1.00 33.34 H new ATOM 0 HE ARG A 106 28.299 11.691 -25.759 1.00 33.02 H new ATOM 0 HH11 ARG A 106 29.892 14.209 -23.864 1.00 64.01 H new ATOM 0 HH12 ARG A 106 31.257 13.177 -23.426 1.00 64.01 H new ATOM 0 HH21 ARG A 106 30.055 10.371 -25.191 1.00 40.43 H new ATOM 0 HH22 ARG A 106 31.349 11.013 -24.173 1.00 40.43 H new ATOM 1718 N HIS A 107 23.167 12.780 -26.886 1.00 53.32 N ATOM 1719 CA HIS A 107 22.692 11.563 -27.535 1.00 73.31 C ATOM 1720 C HIS A 107 21.665 11.889 -28.614 1.00 11.14 C ATOM 1721 O HIS A 107 21.604 11.132 -29.586 1.00 52.53 O ATOM 1722 CB HIS A 107 22.080 10.614 -26.502 1.00 3.42 C ATOM 1723 CG HIS A 107 23.093 9.779 -25.783 1.00 35.31 C ATOM 1724 ND1 HIS A 107 24.014 8.985 -26.434 1.00 72.12 N ATOM 1725 CD2 HIS A 107 23.328 9.615 -24.460 1.00 22.32 C ATOM 1726 CE1 HIS A 107 24.770 8.369 -25.543 1.00 51.22 C ATOM 1727 NE2 HIS A 107 24.374 8.736 -24.336 1.00 33.32 N ATOM 0 H HIS A 107 22.733 12.974 -25.984 1.00 53.32 H new ATOM 0 HA HIS A 107 23.545 11.075 -28.005 1.00 73.31 H new ATOM 0 HB2 HIS A 107 21.518 11.197 -25.773 1.00 3.42 H new ATOM 0 HB3 HIS A 107 21.368 9.957 -27.001 1.00 3.42 H new ATOM 0 HD2 HIS A 107 22.791 10.089 -23.651 1.00 22.32 H new ATOM 0 HE1 HIS A 107 25.574 7.683 -25.763 1.00 51.22 H new ATOM 0 HE2 HIS A 107 24.780 8.418 -23.456 1.00 33.32 H new ATOM 1735 N LEU A 108 20.884 12.955 -28.480 1.00 51.05 N ATOM 1736 CA LEU A 108 19.888 13.307 -29.485 1.00 71.11 C ATOM 1737 C LEU A 108 20.553 13.880 -30.733 1.00 52.31 C ATOM 1738 O LEU A 108 20.165 13.564 -31.857 1.00 32.15 O ATOM 1739 CB LEU A 108 18.893 14.318 -28.914 1.00 30.52 C ATOM 1740 CG LEU A 108 17.969 13.800 -27.811 1.00 72.21 C ATOM 1741 CD1 LEU A 108 17.384 14.957 -27.017 1.00 2.22 C ATOM 1742 CD2 LEU A 108 16.860 12.942 -28.402 1.00 71.01 C ATOM 0 H LEU A 108 20.922 13.591 -27.684 1.00 51.05 H new ATOM 0 HA LEU A 108 19.353 12.399 -29.764 1.00 71.11 H new ATOM 0 HB2 LEU A 108 19.453 15.167 -28.522 1.00 30.52 H new ATOM 0 HB3 LEU A 108 18.276 14.692 -29.731 1.00 30.52 H new ATOM 0 HG LEU A 108 18.557 13.181 -27.133 1.00 72.21 H new ATOM 0 HD11 LEU A 108 16.729 14.569 -26.237 1.00 2.22 H new ATOM 0 HD12 LEU A 108 18.191 15.530 -26.561 1.00 2.22 H new ATOM 0 HD13 LEU A 108 16.812 15.603 -27.683 1.00 2.22 H new ATOM 0 HD21 LEU A 108 16.213 12.582 -27.602 1.00 71.01 H new ATOM 0 HD22 LEU A 108 16.274 13.537 -29.103 1.00 71.01 H new ATOM 0 HD23 LEU A 108 17.297 12.091 -28.925 1.00 71.01 H new ATOM 1754 N VAL A 109 21.559 14.725 -30.526 1.00 64.23 N ATOM 1755 CA VAL A 109 22.280 15.340 -31.634 1.00 40.54 C ATOM 1756 C VAL A 109 23.067 14.300 -32.422 1.00 73.45 C ATOM 1757 O VAL A 109 23.249 14.429 -33.632 1.00 43.30 O ATOM 1758 CB VAL A 109 23.247 16.432 -31.136 1.00 73.53 C ATOM 1759 CG1 VAL A 109 24.004 17.045 -32.303 1.00 53.13 C ATOM 1760 CG2 VAL A 109 22.490 17.498 -30.359 1.00 14.42 C ATOM 0 H VAL A 109 21.893 14.999 -29.602 1.00 64.23 H new ATOM 0 HA VAL A 109 21.533 15.795 -32.285 1.00 40.54 H new ATOM 0 HB VAL A 109 23.973 15.974 -30.464 1.00 73.53 H new ATOM 0 HG11 VAL A 109 24.682 17.814 -31.933 1.00 53.13 H new ATOM 0 HG12 VAL A 109 24.577 16.270 -32.812 1.00 53.13 H new ATOM 0 HG13 VAL A 109 23.296 17.491 -33.002 1.00 53.13 H new ATOM 0 HG21 VAL A 109 23.188 18.261 -30.015 1.00 14.42 H new ATOM 0 HG22 VAL A 109 21.741 17.956 -31.005 1.00 14.42 H new ATOM 0 HG23 VAL A 109 21.998 17.042 -29.500 1.00 14.42 H new ATOM 1770 N ALA A 110 23.533 13.267 -31.727 1.00 54.31 N ATOM 1771 CA ALA A 110 24.300 12.203 -32.362 1.00 34.23 C ATOM 1772 C ALA A 110 23.386 11.248 -33.124 1.00 21.34 C ATOM 1773 O ALA A 110 23.771 10.699 -34.157 1.00 64.21 O ATOM 1774 CB ALA A 110 25.111 11.443 -31.324 1.00 64.34 C ATOM 0 H ALA A 110 23.392 13.145 -30.724 1.00 54.31 H new ATOM 0 HA ALA A 110 24.984 12.660 -33.077 1.00 34.23 H new ATOM 0 HB1 ALA A 110 25.678 10.652 -31.814 1.00 64.34 H new ATOM 0 HB2 ALA A 110 25.798 12.128 -30.827 1.00 64.34 H new ATOM 0 HB3 ALA A 110 24.439 11.004 -30.587 1.00 64.34 H new ATOM 1780 N GLU A 111 22.177 11.056 -32.608 1.00 21.32 N ATOM 1781 CA GLU A 111 21.210 10.166 -33.240 1.00 31.24 C ATOM 1782 C GLU A 111 20.640 10.795 -34.509 1.00 4.22 C ATOM 1783 O GLU A 111 20.231 10.093 -35.435 1.00 42.24 O ATOM 1784 CB GLU A 111 20.075 9.835 -32.269 1.00 55.54 C ATOM 1785 CG GLU A 111 19.320 8.565 -32.624 1.00 43.31 C ATOM 1786 CD GLU A 111 17.875 8.600 -32.166 1.00 30.12 C ATOM 1787 OE1 GLU A 111 17.642 8.696 -30.942 1.00 20.33 O ATOM 1788 OE2 GLU A 111 16.976 8.530 -33.031 1.00 70.30 O ATOM 0 H GLU A 111 21.843 11.504 -31.755 1.00 21.32 H new ATOM 0 HA GLU A 111 21.727 9.245 -33.511 1.00 31.24 H new ATOM 0 HB2 GLU A 111 20.486 9.734 -31.264 1.00 55.54 H new ATOM 0 HB3 GLU A 111 19.374 10.669 -32.245 1.00 55.54 H new ATOM 0 HG2 GLU A 111 19.352 8.417 -33.703 1.00 43.31 H new ATOM 0 HG3 GLU A 111 19.821 7.710 -32.170 1.00 43.31 H new ATOM 1795 N THR A 112 20.616 12.123 -34.545 1.00 44.55 N ATOM 1796 CA THR A 112 20.095 12.849 -35.697 1.00 21.33 C ATOM 1797 C THR A 112 20.969 12.628 -36.926 1.00 32.31 C ATOM 1798 O THR A 112 20.475 12.283 -37.998 1.00 22.12 O ATOM 1799 CB THR A 112 20.000 14.360 -35.414 1.00 25.12 C ATOM 1800 OG1 THR A 112 19.198 14.590 -34.250 1.00 41.12 O ATOM 1801 CG2 THR A 112 19.400 15.095 -36.602 1.00 2.22 C ATOM 0 H THR A 112 20.952 12.719 -33.788 1.00 44.55 H new ATOM 0 HA THR A 112 19.095 12.460 -35.890 1.00 21.33 H new ATOM 0 HB THR A 112 21.007 14.740 -35.242 1.00 25.12 H new ATOM 0 HG1 THR A 112 19.639 14.200 -33.467 1.00 41.12 H new ATOM 0 HG21 THR A 112 19.343 16.160 -36.379 1.00 2.22 H new ATOM 0 HG22 THR A 112 20.027 14.941 -37.480 1.00 2.22 H new ATOM 0 HG23 THR A 112 18.399 14.711 -36.800 1.00 2.22 H new ATOM 1809 N GLY A 113 22.274 12.828 -36.763 1.00 2.41 N ATOM 1810 CA GLY A 113 23.196 12.645 -37.868 1.00 2.34 C ATOM 1811 C GLY A 113 23.049 11.289 -38.528 1.00 12.11 C ATOM 1812 O GLY A 113 23.075 11.179 -39.754 1.00 42.21 O ATOM 0 H GLY A 113 22.708 13.113 -35.885 1.00 2.41 H new ATOM 0 HA2 GLY A 113 23.029 13.426 -38.609 1.00 2.34 H new ATOM 0 HA3 GLY A 113 24.218 12.761 -37.507 1.00 2.34 H new ATOM 1816 N THR A 114 22.896 10.249 -37.712 1.00 0.25 N ATOM 1817 CA THR A 114 22.748 8.893 -38.224 1.00 62.24 C ATOM 1818 C THR A 114 21.423 8.725 -38.961 1.00 74.41 C ATOM 1819 O THR A 114 21.302 7.888 -39.855 1.00 52.33 O ATOM 1820 CB THR A 114 22.827 7.854 -37.090 1.00 61.34 C ATOM 1821 OG1 THR A 114 23.379 8.454 -35.913 1.00 20.31 O ATOM 1822 CG2 THR A 114 23.677 6.662 -37.504 1.00 4.14 C ATOM 0 H THR A 114 22.872 10.321 -36.695 1.00 0.25 H new ATOM 0 HA THR A 114 23.571 8.725 -38.919 1.00 62.24 H new ATOM 0 HB THR A 114 21.817 7.503 -36.879 1.00 61.34 H new ATOM 0 HG1 THR A 114 23.424 7.787 -35.196 1.00 20.31 H new ATOM 0 HG21 THR A 114 23.717 5.942 -36.686 1.00 4.14 H new ATOM 0 HG22 THR A 114 23.237 6.189 -38.382 1.00 4.14 H new ATOM 0 HG23 THR A 114 24.686 6.999 -37.741 1.00 4.14 H new ATOM 1830 N ALA A 115 20.434 9.525 -38.579 1.00 43.14 N ATOM 1831 CA ALA A 115 19.119 9.466 -39.206 1.00 72.12 C ATOM 1832 C ALA A 115 18.895 10.662 -40.125 1.00 40.33 C ATOM 1833 O ALA A 115 17.758 11.057 -40.379 1.00 41.04 O ATOM 1834 CB ALA A 115 18.031 9.403 -38.145 1.00 62.43 C ATOM 0 H ALA A 115 20.518 10.222 -37.839 1.00 43.14 H new ATOM 0 HA ALA A 115 19.073 8.561 -39.812 1.00 72.12 H new ATOM 0 HB1 ALA A 115 17.055 9.359 -38.627 1.00 62.43 H new ATOM 0 HB2 ALA A 115 18.173 8.514 -37.531 1.00 62.43 H new ATOM 0 HB3 ALA A 115 18.085 10.291 -37.515 1.00 62.43 H new ATOM 1840 N GLU A 116 19.988 11.234 -40.621 1.00 73.24 N ATOM 1841 CA GLU A 116 19.909 12.386 -41.511 1.00 3.44 C ATOM 1842 C GLU A 116 20.086 11.962 -42.967 1.00 42.53 C ATOM 1843 O GLU A 116 20.525 12.749 -43.805 1.00 11.35 O ATOM 1844 CB GLU A 116 20.972 13.421 -41.137 1.00 63.03 C ATOM 1845 CG GLU A 116 20.559 14.853 -41.435 1.00 70.14 C ATOM 1846 CD GLU A 116 21.522 15.554 -42.374 1.00 21.10 C ATOM 1847 OE1 GLU A 116 22.737 15.557 -42.085 1.00 5.32 O ATOM 1848 OE2 GLU A 116 21.059 16.100 -43.397 1.00 15.14 O ATOM 0 H GLU A 116 20.937 10.919 -40.422 1.00 73.24 H new ATOM 0 HA GLU A 116 18.921 12.833 -41.398 1.00 3.44 H new ATOM 0 HB2 GLU A 116 21.197 13.330 -40.074 1.00 63.03 H new ATOM 0 HB3 GLU A 116 21.891 13.197 -41.678 1.00 63.03 H new ATOM 0 HG2 GLU A 116 19.562 14.856 -41.875 1.00 70.14 H new ATOM 0 HG3 GLU A 116 20.497 15.411 -40.501 1.00 70.14 H new ATOM 1855 N LYS A 117 19.741 10.713 -43.258 1.00 4.35 N ATOM 1856 CA LYS A 117 19.860 10.183 -44.611 1.00 10.04 C ATOM 1857 C LYS A 117 18.487 10.022 -45.256 1.00 44.21 C ATOM 1858 O LYS A 117 18.350 10.109 -46.476 1.00 43.31 O ATOM 1859 CB LYS A 117 20.586 8.835 -44.592 1.00 44.42 C ATOM 1860 CG LYS A 117 21.138 8.422 -45.944 1.00 23.04 C ATOM 1861 CD LYS A 117 22.292 7.444 -45.801 1.00 71.22 C ATOM 1862 CE LYS A 117 21.800 6.005 -45.752 1.00 32.12 C ATOM 1863 NZ LYS A 117 21.217 5.574 -47.053 1.00 41.43 N ATOM 0 H LYS A 117 19.377 10.049 -42.575 1.00 4.35 H new ATOM 0 HA LYS A 117 20.439 10.893 -45.201 1.00 10.04 H new ATOM 0 HB2 LYS A 117 21.405 8.883 -43.874 1.00 44.42 H new ATOM 0 HB3 LYS A 117 19.898 8.066 -44.240 1.00 44.42 H new ATOM 0 HG2 LYS A 117 20.345 7.966 -46.538 1.00 23.04 H new ATOM 0 HG3 LYS A 117 21.474 9.306 -46.486 1.00 23.04 H new ATOM 0 HD2 LYS A 117 22.980 7.566 -46.638 1.00 71.22 H new ATOM 0 HD3 LYS A 117 22.851 7.670 -44.893 1.00 71.22 H new ATOM 0 HE2 LYS A 117 22.628 5.347 -45.489 1.00 32.12 H new ATOM 0 HE3 LYS A 117 21.051 5.904 -44.967 1.00 32.12 H new ATOM 0 HZ1 LYS A 117 21.269 4.538 -47.130 1.00 41.43 H new ATOM 0 HZ2 LYS A 117 20.223 5.876 -47.105 1.00 41.43 H new ATOM 0 HZ3 LYS A 117 21.752 6.006 -47.833 1.00 41.43 H new ATOM 1877 N MET A 118 17.473 9.790 -44.429 1.00 41.03 N ATOM 1878 CA MET A 118 16.111 9.620 -44.918 1.00 1.02 C ATOM 1879 C MET A 118 16.006 8.395 -45.820 1.00 25.23 C ATOM 1880 O MET A 118 15.920 8.501 -47.044 1.00 34.54 O ATOM 1881 CB MET A 118 15.660 10.868 -45.680 1.00 50.40 C ATOM 1882 CG MET A 118 14.151 10.989 -45.811 1.00 34.33 C ATOM 1883 SD MET A 118 13.576 12.693 -45.679 1.00 65.14 S ATOM 1884 CE MET A 118 12.254 12.699 -46.888 1.00 60.24 C ATOM 0 H MET A 118 17.570 9.715 -43.416 1.00 41.03 H new ATOM 0 HA MET A 118 15.459 9.473 -44.057 1.00 1.02 H new ATOM 0 HB2 MET A 118 16.044 11.752 -45.172 1.00 50.40 H new ATOM 0 HB3 MET A 118 16.103 10.855 -46.676 1.00 50.40 H new ATOM 0 HG2 MET A 118 13.840 10.578 -46.771 1.00 34.33 H new ATOM 0 HG3 MET A 118 13.674 10.388 -45.037 1.00 34.33 H new ATOM 0 HE1 MET A 118 11.798 13.688 -46.923 1.00 60.24 H new ATOM 0 HE2 MET A 118 12.657 12.450 -47.870 1.00 60.24 H new ATOM 0 HE3 MET A 118 11.501 11.962 -46.608 1.00 60.24 H new ATOM 1894 N PRO A 119 16.011 7.203 -45.205 1.00 34.02 N ATOM 1895 CA PRO A 119 15.917 5.935 -45.934 1.00 73.24 C ATOM 1896 C PRO A 119 14.539 5.721 -46.549 1.00 64.51 C ATOM 1897 O PRO A 119 13.538 6.233 -46.047 1.00 1.21 O ATOM 1898 CB PRO A 119 16.192 4.884 -44.856 1.00 44.05 C ATOM 1899 CG PRO A 119 15.797 5.541 -43.577 1.00 1.44 C ATOM 1900 CD PRO A 119 16.110 7.002 -43.750 1.00 71.11 C ATOM 0 HA PRO A 119 16.611 5.895 -46.773 1.00 73.24 H new ATOM 0 HB2 PRO A 119 15.613 3.977 -45.030 1.00 44.05 H new ATOM 0 HB3 PRO A 119 17.243 4.594 -44.844 1.00 44.05 H new ATOM 0 HG2 PRO A 119 14.737 5.390 -43.372 1.00 1.44 H new ATOM 0 HG3 PRO A 119 16.348 5.121 -42.736 1.00 1.44 H new ATOM 0 HD2 PRO A 119 15.403 7.631 -43.209 1.00 71.11 H new ATOM 0 HD3 PRO A 119 17.105 7.247 -43.377 1.00 71.11 H new ATOM 1908 N SER A 120 14.492 4.958 -47.637 1.00 40.32 N ATOM 1909 CA SER A 120 13.236 4.679 -48.321 1.00 31.23 C ATOM 1910 C SER A 120 13.343 3.404 -49.154 1.00 44.22 C ATOM 1911 O SER A 120 13.597 3.454 -50.358 1.00 13.44 O ATOM 1912 CB SER A 120 12.846 5.856 -49.217 1.00 0.11 C ATOM 1913 OG SER A 120 12.449 6.976 -48.445 1.00 33.40 O ATOM 0 H SER A 120 15.310 4.522 -48.063 1.00 40.32 H new ATOM 0 HA SER A 120 12.463 4.535 -47.566 1.00 31.23 H new ATOM 0 HB2 SER A 120 13.689 6.129 -49.852 1.00 0.11 H new ATOM 0 HB3 SER A 120 12.032 5.559 -49.878 1.00 0.11 H new ATOM 0 HG SER A 120 12.669 6.818 -47.503 1.00 33.40 H new ATOM 1919 N THR A 121 13.147 2.262 -48.504 1.00 34.11 N ATOM 1920 CA THR A 121 13.222 0.974 -49.182 1.00 15.41 C ATOM 1921 C THR A 121 12.356 -0.067 -48.482 1.00 2.44 C ATOM 1922 O THR A 121 12.748 -0.632 -47.462 1.00 54.52 O ATOM 1923 CB THR A 121 14.672 0.458 -49.248 1.00 51.21 C ATOM 1924 OG1 THR A 121 15.507 1.423 -49.897 1.00 21.31 O ATOM 1925 CG2 THR A 121 14.742 -0.865 -49.996 1.00 51.14 C ATOM 0 H THR A 121 12.935 2.202 -47.508 1.00 34.11 H new ATOM 0 HA THR A 121 12.852 1.128 -50.196 1.00 15.41 H new ATOM 0 HB THR A 121 15.025 0.300 -48.229 1.00 51.21 H new ATOM 0 HG1 THR A 121 16.427 1.088 -49.933 1.00 21.31 H new ATOM 0 HG21 THR A 121 15.776 -1.210 -50.030 1.00 51.14 H new ATOM 0 HG22 THR A 121 14.129 -1.606 -49.483 1.00 51.14 H new ATOM 0 HG23 THR A 121 14.372 -0.729 -51.012 1.00 51.14 H new ATOM 1933 N SER A 122 11.174 -0.317 -49.039 1.00 41.32 N ATOM 1934 CA SER A 122 10.250 -1.288 -48.467 1.00 55.13 C ATOM 1935 C SER A 122 10.133 -2.520 -49.361 1.00 53.44 C ATOM 1936 O SER A 122 10.629 -2.532 -50.488 1.00 42.54 O ATOM 1937 CB SER A 122 8.871 -0.656 -48.267 1.00 31.45 C ATOM 1938 OG SER A 122 8.759 0.560 -48.986 1.00 52.01 O ATOM 0 H SER A 122 10.835 0.140 -49.886 1.00 41.32 H new ATOM 0 HA SER A 122 10.643 -1.599 -47.499 1.00 55.13 H new ATOM 0 HB2 SER A 122 8.098 -1.350 -48.597 1.00 31.45 H new ATOM 0 HB3 SER A 122 8.702 -0.472 -47.206 1.00 31.45 H new ATOM 0 HG SER A 122 7.868 0.943 -48.843 1.00 52.01 H new ATOM 1944 N ARG A 123 9.475 -3.555 -48.849 1.00 43.41 N ATOM 1945 CA ARG A 123 9.294 -4.791 -49.599 1.00 4.13 C ATOM 1946 C ARG A 123 7.862 -5.302 -49.467 1.00 41.21 C ATOM 1947 O ARG A 123 7.213 -5.146 -48.432 1.00 3.53 O ATOM 1948 CB ARG A 123 10.274 -5.858 -49.109 1.00 41.11 C ATOM 1949 CG ARG A 123 10.077 -6.243 -47.652 1.00 30.20 C ATOM 1950 CD ARG A 123 9.138 -7.432 -47.511 1.00 53.33 C ATOM 1951 NE ARG A 123 9.824 -8.612 -46.993 1.00 54.42 N ATOM 1952 CZ ARG A 123 10.237 -8.729 -45.736 1.00 73.52 C ATOM 1953 NH1 ARG A 123 10.033 -7.744 -44.873 1.00 52.10 N ATOM 1954 NH2 ARG A 123 10.854 -9.835 -45.339 1.00 61.22 N ATOM 0 H ARG A 123 9.059 -3.562 -47.918 1.00 43.41 H new ATOM 0 HA ARG A 123 9.492 -4.581 -50.650 1.00 4.13 H new ATOM 0 HB2 ARG A 123 10.168 -6.748 -49.729 1.00 41.11 H new ATOM 0 HB3 ARG A 123 11.292 -5.494 -49.245 1.00 41.11 H new ATOM 0 HG2 ARG A 123 11.041 -6.485 -47.205 1.00 30.20 H new ATOM 0 HG3 ARG A 123 9.674 -5.393 -47.101 1.00 30.20 H new ATOM 0 HD2 ARG A 123 8.317 -7.168 -46.845 1.00 53.33 H new ATOM 0 HD3 ARG A 123 8.699 -7.664 -48.481 1.00 53.33 H new ATOM 0 HE ARG A 123 9.996 -9.389 -47.631 1.00 54.42 H new ATOM 0 HH11 ARG A 123 9.558 -6.893 -45.173 1.00 52.10 H new ATOM 0 HH12 ARG A 123 10.351 -7.837 -43.908 1.00 52.10 H new ATOM 0 HH21 ARG A 123 11.011 -10.596 -45.999 1.00 61.22 H new ATOM 0 HH22 ARG A 123 11.171 -9.924 -44.373 1.00 61.22 H new ATOM 1968 N PRO A 124 7.355 -5.926 -50.540 1.00 14.04 N ATOM 1969 CA PRO A 124 5.995 -6.473 -50.570 1.00 11.22 C ATOM 1970 C PRO A 124 5.840 -7.691 -49.666 1.00 0.00 C ATOM 1971 O PRO A 124 6.640 -8.625 -49.722 1.00 20.31 O ATOM 1972 CB PRO A 124 5.803 -6.867 -52.037 1.00 73.42 C ATOM 1973 CG PRO A 124 7.181 -7.109 -52.547 1.00 31.13 C ATOM 1974 CD PRO A 124 8.071 -6.148 -51.808 1.00 22.44 C ATOM 0 HA PRO A 124 5.259 -5.755 -50.208 1.00 11.22 H new ATOM 0 HB2 PRO A 124 5.184 -7.759 -52.130 1.00 73.42 H new ATOM 0 HB3 PRO A 124 5.307 -6.075 -52.598 1.00 73.42 H new ATOM 0 HG2 PRO A 124 7.487 -8.140 -52.369 1.00 31.13 H new ATOM 0 HG3 PRO A 124 7.234 -6.942 -53.623 1.00 31.13 H new ATOM 0 HD2 PRO A 124 9.063 -6.567 -51.641 1.00 22.44 H new ATOM 0 HD3 PRO A 124 8.206 -5.219 -52.361 1.00 22.44 H new ATOM 1982 N THR A 125 4.804 -7.675 -48.832 1.00 52.22 N ATOM 1983 CA THR A 125 4.544 -8.778 -47.915 1.00 12.12 C ATOM 1984 C THR A 125 3.228 -9.472 -48.248 1.00 11.31 C ATOM 1985 O THR A 125 2.449 -8.985 -49.067 1.00 1.12 O ATOM 1986 CB THR A 125 4.502 -8.295 -46.453 1.00 64.50 C ATOM 1987 OG1 THR A 125 4.177 -6.902 -46.407 1.00 11.33 O ATOM 1988 CG2 THR A 125 5.838 -8.533 -45.766 1.00 44.21 C ATOM 0 H THR A 125 4.132 -6.910 -48.773 1.00 52.22 H new ATOM 0 HA THR A 125 5.364 -9.486 -48.032 1.00 12.12 H new ATOM 0 HB THR A 125 3.735 -8.864 -45.927 1.00 64.50 H new ATOM 0 HG1 THR A 125 4.151 -6.603 -45.474 1.00 11.33 H new ATOM 0 HG21 THR A 125 5.784 -8.184 -44.735 1.00 44.21 H new ATOM 0 HG22 THR A 125 6.068 -9.598 -45.777 1.00 44.21 H new ATOM 0 HG23 THR A 125 6.621 -7.987 -46.293 1.00 44.21 H new ATOM 1996 N ALA A 126 2.986 -10.611 -47.607 1.00 11.34 N ATOM 1997 CA ALA A 126 1.763 -11.369 -47.835 1.00 64.55 C ATOM 1998 C ALA A 126 1.680 -11.858 -49.276 1.00 23.54 C ATOM 1999 O ALA A 126 0.771 -11.501 -50.026 1.00 34.24 O ATOM 2000 CB ALA A 126 0.546 -10.524 -47.490 1.00 5.25 C ATOM 0 H ALA A 126 3.621 -11.028 -46.926 1.00 11.34 H new ATOM 0 HA ALA A 126 1.780 -12.243 -47.184 1.00 64.55 H new ATOM 0 HB1 ALA A 126 -0.361 -11.103 -47.665 1.00 5.25 H new ATOM 0 HB2 ALA A 126 0.592 -10.231 -46.441 1.00 5.25 H new ATOM 0 HB3 ALA A 126 0.533 -9.632 -48.116 1.00 5.25 H new ATOM 2006 N PRO A 127 2.649 -12.696 -49.675 1.00 41.05 N ATOM 2007 CA PRO A 127 2.706 -13.252 -51.029 1.00 13.05 C ATOM 2008 C PRO A 127 1.593 -14.260 -51.291 1.00 73.13 C ATOM 2009 O PRO A 127 1.008 -14.810 -50.356 1.00 15.33 O ATOM 2010 CB PRO A 127 4.073 -13.941 -51.072 1.00 10.23 C ATOM 2011 CG PRO A 127 4.378 -14.266 -49.652 1.00 45.12 C ATOM 2012 CD PRO A 127 3.763 -13.164 -48.833 1.00 71.31 C ATOM 0 HA PRO A 127 2.576 -12.483 -51.790 1.00 13.05 H new ATOM 0 HB2 PRO A 127 4.044 -14.841 -51.687 1.00 10.23 H new ATOM 0 HB3 PRO A 127 4.833 -13.287 -51.500 1.00 10.23 H new ATOM 0 HG2 PRO A 127 3.963 -15.235 -49.376 1.00 45.12 H new ATOM 0 HG3 PRO A 127 5.454 -14.321 -49.487 1.00 45.12 H new ATOM 0 HD2 PRO A 127 3.412 -13.529 -47.868 1.00 71.31 H new ATOM 0 HD3 PRO A 127 4.478 -12.366 -48.632 1.00 71.31 H new ATOM 2020 N SER A 128 1.305 -14.500 -52.566 1.00 22.51 N ATOM 2021 CA SER A 128 0.259 -15.442 -52.949 1.00 45.50 C ATOM 2022 C SER A 128 0.692 -16.878 -52.675 1.00 55.44 C ATOM 2023 O SER A 128 1.851 -17.238 -52.880 1.00 32.12 O ATOM 2024 CB SER A 128 -0.089 -15.275 -54.430 1.00 53.11 C ATOM 2025 OG SER A 128 0.547 -14.134 -54.978 1.00 13.02 O ATOM 0 H SER A 128 1.781 -14.056 -53.351 1.00 22.51 H new ATOM 0 HA SER A 128 -0.625 -15.228 -52.348 1.00 45.50 H new ATOM 0 HB2 SER A 128 0.216 -16.165 -54.981 1.00 53.11 H new ATOM 0 HB3 SER A 128 -1.169 -15.183 -54.545 1.00 53.11 H new ATOM 0 HG SER A 128 0.310 -14.051 -55.925 1.00 13.02 H new ATOM 2031 N SER A 129 -0.247 -17.694 -52.208 1.00 21.24 N ATOM 2032 CA SER A 129 0.038 -19.091 -51.900 1.00 2.15 C ATOM 2033 C SER A 129 -1.231 -19.935 -51.981 1.00 12.11 C ATOM 2034 O SER A 129 -1.890 -20.182 -50.972 1.00 13.21 O ATOM 2035 CB SER A 129 0.657 -19.213 -50.508 1.00 42.24 C ATOM 2036 OG SER A 129 -0.220 -18.710 -49.514 1.00 50.13 O ATOM 0 H SER A 129 -1.212 -17.412 -52.034 1.00 21.24 H new ATOM 0 HA SER A 129 0.748 -19.462 -52.639 1.00 2.15 H new ATOM 0 HB2 SER A 129 0.887 -20.258 -50.299 1.00 42.24 H new ATOM 0 HB3 SER A 129 1.599 -18.666 -50.476 1.00 42.24 H new ATOM 0 HG SER A 129 -1.128 -19.036 -49.684 1.00 50.13 H new ATOM 2042 N GLU A 130 -1.567 -20.373 -53.190 1.00 2.24 N ATOM 2043 CA GLU A 130 -2.757 -21.188 -53.403 1.00 5.05 C ATOM 2044 C GLU A 130 -2.405 -22.673 -53.418 1.00 54.45 C ATOM 2045 O GLU A 130 -1.329 -23.064 -53.873 1.00 5.11 O ATOM 2046 CB GLU A 130 -3.438 -20.802 -54.719 1.00 74.12 C ATOM 2047 CG GLU A 130 -4.934 -21.069 -54.731 1.00 32.31 C ATOM 2048 CD GLU A 130 -5.670 -20.221 -55.750 1.00 33.04 C ATOM 2049 OE1 GLU A 130 -5.239 -19.075 -55.990 1.00 12.42 O ATOM 2050 OE2 GLU A 130 -6.676 -20.706 -56.309 1.00 32.22 O ATOM 0 H GLU A 130 -1.032 -20.177 -54.036 1.00 2.24 H new ATOM 0 HA GLU A 130 -3.444 -21.003 -52.577 1.00 5.05 H new ATOM 0 HB2 GLU A 130 -3.265 -19.743 -54.911 1.00 74.12 H new ATOM 0 HB3 GLU A 130 -2.972 -21.354 -55.535 1.00 74.12 H new ATOM 0 HG2 GLU A 130 -5.109 -22.123 -54.946 1.00 32.31 H new ATOM 0 HG3 GLU A 130 -5.342 -20.874 -53.739 1.00 32.31 H new ATOM 2057 N LYS A 131 -3.318 -23.496 -52.913 1.00 31.13 N ATOM 2058 CA LYS A 131 -3.106 -24.938 -52.867 1.00 72.02 C ATOM 2059 C LYS A 131 -4.417 -25.672 -52.601 1.00 55.22 C ATOM 2060 O LYS A 131 -4.781 -25.913 -51.451 1.00 35.54 O ATOM 2061 CB LYS A 131 -2.083 -25.289 -51.785 1.00 44.14 C ATOM 2062 CG LYS A 131 -1.866 -26.782 -51.615 1.00 73.44 C ATOM 2063 CD LYS A 131 -0.718 -27.075 -50.662 1.00 0.33 C ATOM 2064 CE LYS A 131 -0.616 -28.560 -50.351 1.00 44.12 C ATOM 2065 NZ LYS A 131 -1.718 -29.016 -49.459 1.00 54.05 N ATOM 0 H LYS A 131 -4.212 -23.189 -52.530 1.00 31.13 H new ATOM 0 HA LYS A 131 -2.723 -25.256 -53.837 1.00 72.02 H new ATOM 0 HB2 LYS A 131 -1.131 -24.818 -52.030 1.00 44.14 H new ATOM 0 HB3 LYS A 131 -2.412 -24.868 -50.835 1.00 44.14 H new ATOM 0 HG2 LYS A 131 -2.779 -27.243 -51.238 1.00 73.44 H new ATOM 0 HG3 LYS A 131 -1.658 -27.233 -52.585 1.00 73.44 H new ATOM 0 HD2 LYS A 131 0.218 -26.729 -51.101 1.00 0.33 H new ATOM 0 HD3 LYS A 131 -0.861 -26.517 -49.736 1.00 0.33 H new ATOM 0 HE2 LYS A 131 -0.642 -29.129 -51.281 1.00 44.12 H new ATOM 0 HE3 LYS A 131 0.344 -28.767 -49.878 1.00 44.12 H new ATOM 0 HZ1 LYS A 131 -1.540 -29.996 -49.161 1.00 54.05 H new ATOM 0 HZ2 LYS A 131 -1.763 -28.402 -48.621 1.00 54.05 H new ATOM 0 HZ3 LYS A 131 -2.622 -28.969 -49.972 1.00 54.05 H new ATOM 2079 N GLY A 132 -5.120 -26.025 -53.672 1.00 35.00 N ATOM 2080 CA GLY A 132 -6.381 -26.730 -53.532 1.00 54.21 C ATOM 2081 C GLY A 132 -6.263 -28.202 -53.871 1.00 31.31 C ATOM 2082 O GLY A 132 -5.288 -28.629 -54.488 1.00 53.13 O ATOM 0 H GLY A 132 -4.839 -25.836 -54.634 1.00 35.00 H new ATOM 0 HA2 GLY A 132 -6.741 -26.624 -52.509 1.00 54.21 H new ATOM 0 HA3 GLY A 132 -7.125 -26.269 -54.182 1.00 54.21 H new ATOM 2086 N GLY A 133 -7.259 -28.984 -53.463 1.00 24.14 N ATOM 2087 CA GLY A 133 -7.243 -30.409 -53.734 1.00 1.11 C ATOM 2088 C GLY A 133 -7.786 -31.226 -52.579 1.00 0.32 C ATOM 2089 O GLY A 133 -7.486 -30.948 -51.419 1.00 41.51 O ATOM 0 H GLY A 133 -8.077 -28.655 -52.949 1.00 24.14 H new ATOM 0 HA2 GLY A 133 -7.833 -30.612 -54.628 1.00 1.11 H new ATOM 0 HA3 GLY A 133 -6.222 -30.723 -53.948 1.00 1.11 H new ATOM 2093 N ASN A 134 -8.591 -32.235 -52.896 1.00 21.32 N ATOM 2094 CA ASN A 134 -9.180 -33.093 -51.874 1.00 5.41 C ATOM 2095 C ASN A 134 -8.312 -34.324 -51.631 1.00 2.41 C ATOM 2096 O ASN A 134 -7.413 -34.627 -52.416 1.00 32.23 O ATOM 2097 CB ASN A 134 -10.589 -33.522 -52.289 1.00 2.11 C ATOM 2098 CG ASN A 134 -10.630 -34.089 -53.695 1.00 33.13 C ATOM 2099 OD1 ASN A 134 -9.608 -34.515 -54.235 1.00 63.44 O ATOM 2100 ND2 ASN A 134 -11.814 -34.095 -54.296 1.00 35.32 N ATOM 0 H ASN A 134 -8.850 -32.479 -53.852 1.00 21.32 H new ATOM 0 HA ASN A 134 -9.239 -32.523 -50.947 1.00 5.41 H new ATOM 0 HB2 ASN A 134 -10.960 -34.270 -51.588 1.00 2.11 H new ATOM 0 HB3 ASN A 134 -11.260 -32.665 -52.226 1.00 2.11 H new ATOM 0 HD21 ASN A 134 -11.903 -34.463 -55.243 1.00 35.32 H new ATOM 0 HD22 ASN A 134 -12.634 -33.732 -53.810 1.00 35.32 H new ATOM 2107 N TYR A 135 -8.588 -35.030 -50.540 1.00 42.02 N ATOM 2108 CA TYR A 135 -7.832 -36.227 -50.193 1.00 64.21 C ATOM 2109 C TYR A 135 -8.334 -37.435 -50.978 1.00 54.34 C ATOM 2110 O TYR A 135 -9.524 -37.743 -50.968 1.00 13.02 O ATOM 2111 CB TYR A 135 -7.935 -36.502 -48.692 1.00 42.34 C ATOM 2112 CG TYR A 135 -6.924 -37.509 -48.190 1.00 42.14 C ATOM 2113 CD1 TYR A 135 -5.561 -37.275 -48.315 1.00 54.43 C ATOM 2114 CD2 TYR A 135 -7.333 -38.695 -47.592 1.00 2.31 C ATOM 2115 CE1 TYR A 135 -4.633 -38.192 -47.859 1.00 4.22 C ATOM 2116 CE2 TYR A 135 -6.414 -39.616 -47.131 1.00 34.13 C ATOM 2117 CZ TYR A 135 -5.066 -39.361 -47.268 1.00 54.30 C ATOM 2118 OH TYR A 135 -4.146 -40.278 -46.812 1.00 12.40 O ATOM 0 H TYR A 135 -9.330 -34.794 -49.881 1.00 42.02 H new ATOM 0 HA TYR A 135 -6.788 -36.055 -50.454 1.00 64.21 H new ATOM 0 HB2 TYR A 135 -7.803 -35.566 -48.150 1.00 42.34 H new ATOM 0 HB3 TYR A 135 -8.938 -36.863 -48.465 1.00 42.34 H new ATOM 0 HD1 TYR A 135 -5.220 -36.360 -48.777 1.00 54.43 H new ATOM 0 HD2 TYR A 135 -8.388 -38.900 -47.486 1.00 2.31 H new ATOM 0 HE1 TYR A 135 -3.576 -37.995 -47.965 1.00 4.22 H new ATOM 0 HE2 TYR A 135 -6.749 -40.531 -46.666 1.00 34.13 H new ATOM 0 HH TYR A 135 -4.615 -41.045 -46.422 1.00 12.40 H new TER 2128 TYR A 135