USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1376 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 114 CYS SG : rot 89:sc= 0.374 USER MOD Set 1.2: A 120 GLN : amide:sc= -2.6! C(o=-2.2!,f=-7!) USER MOD Set 2.1: A 106 GLN : amide:sc= -3.6! C(o=-5.9!,f=-7.3!) USER MOD Set 2.2: A 108 TYR OH : rot -173:sc= -2.31! USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 139:sc= -3.45! (180deg=-6.04!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -1.35 (180deg=-2.09) USER MOD Single : A 8 SER OG : rot 105:sc= 0.843 USER MOD Single : A 10 TYR OH : rot 118:sc= -2.42! USER MOD Single : A 14 ASN :FLIP amide:sc= -0.199 F(o=-1.2,f=-0.2) USER MOD Single : A 16 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -107:sc= 1.2 USER MOD Single : A 24 CYS SG : rot 17:sc= 0.192 USER MOD Single : A 26 CYS SG : rot 154:sc= -1.4! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -24:sc= 0.322 USER MOD Single : A 36 CYS SG : rot 46:sc= -1.92 USER MOD Single : A 37 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.56) USER MOD Single : A 38 SER OG : rot 46:sc= 0.908 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.32! C(o=-4.1!,f=-1.3!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.204 USER MOD Single : A 57 HIS : no HE2:sc= -2.08! C(o=-2.1!,f=-6.7!) USER MOD Single : A 59 TYR OH : rot 100:sc= -1.22 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc=-0.00188 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.57! C(o=-2.6!,f=-7.4!) USER MOD Single : A 81 SER OG : rot -90:sc= 0.0656 USER MOD Single : A 82 CYS SG : rot -19:sc= -0.651! USER MOD Single : A 86 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.0056) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 44:sc= 1.22 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -2.37 K(o=-2.4,f=-3.7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.469 K(o=-0.47,f=-5.4!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 111 THR OG1 : rot 103:sc= -0.192 USER MOD Single : A 116 SER OG : rot 6:sc= 0.0701 USER MOD Single : A 118 MET CE :methyl 170:sc= -0.36 (180deg=-0.474) USER MOD Single : A 122 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.24) USER MOD Single : A 127 HIS : no HE2:sc= -0.606 K(o=-0.61,f=-1.7!) USER MOD Single : A 128 SER OG : rot -134:sc= -2.46! USER MOD Single : A 129 CYS SG : rot 40:sc= -0.918 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.54) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -2! C(o=-2!,f=-7.2!) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.441 USER MOD Single : A 153 LYS NZ :NH3+ -161:sc= -0.0251 (180deg=-0.341) USER MOD Single : A 154 LYS NZ :NH3+ -164:sc= -2.06 (180deg=-2.32!) USER MOD Single : A 156 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 158 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.115) USER MOD Single : A 166 SER OG : rot 180:sc= 0.0247 USER MOD Single : A 170 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.29) USER MOD Single : A 171 SER OG : rot -122:sc= -0.928 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.179 -21.656 -4.051 1.00 4.50 N ATOM 2 CA SER A 1 12.938 -22.264 -2.920 1.00 4.52 C ATOM 3 C SER A 1 13.697 -21.169 -2.168 1.00 3.57 C ATOM 4 O SER A 1 13.662 -21.098 -0.955 1.00 3.03 O ATOM 5 CB SER A 1 13.931 -23.290 -3.467 1.00 4.81 C ATOM 6 OG SER A 1 14.890 -23.594 -2.463 1.00 5.28 O ATOM 0 H1 SER A 1 11.663 -22.400 -4.562 1.00 4.50 H new ATOM 0 H2 SER A 1 11.503 -20.958 -3.680 1.00 4.50 H new ATOM 0 H3 SER A 1 12.841 -21.185 -4.700 1.00 4.50 H new ATOM 0 HA SER A 1 12.244 -22.757 -2.239 1.00 4.52 H new ATOM 0 HB2 SER A 1 13.406 -24.195 -3.771 1.00 4.81 H new ATOM 0 HB3 SER A 1 14.428 -22.896 -4.354 1.00 4.81 H new ATOM 0 HG SER A 1 15.528 -24.253 -2.809 1.00 5.28 H new ATOM 14 N LYS A 2 14.384 -20.316 -2.876 1.00 3.60 N ATOM 15 CA LYS A 2 15.145 -19.228 -2.199 1.00 3.08 C ATOM 16 C LYS A 2 14.175 -18.327 -1.431 1.00 2.11 C ATOM 17 O LYS A 2 13.531 -17.474 -2.009 1.00 2.12 O ATOM 18 CB LYS A 2 15.894 -18.401 -3.246 1.00 3.28 C ATOM 19 CG LYS A 2 16.854 -19.305 -4.024 1.00 3.95 C ATOM 20 CD LYS A 2 17.871 -18.448 -4.784 1.00 4.66 C ATOM 21 CE LYS A 2 17.139 -17.409 -5.641 1.00 5.66 C ATOM 22 NZ LYS A 2 16.692 -16.278 -4.779 1.00 5.96 N ATOM 0 H LYS A 2 14.452 -20.325 -3.894 1.00 3.60 H new ATOM 0 HA LYS A 2 15.861 -19.664 -1.503 1.00 3.08 H new ATOM 0 HB2 LYS A 2 15.185 -17.933 -3.929 1.00 3.28 H new ATOM 0 HB3 LYS A 2 16.448 -17.597 -2.761 1.00 3.28 H new ATOM 0 HG2 LYS A 2 17.371 -19.977 -3.339 1.00 3.95 H new ATOM 0 HG3 LYS A 2 16.296 -19.929 -4.722 1.00 3.95 H new ATOM 0 HD2 LYS A 2 18.537 -17.948 -4.080 1.00 4.66 H new ATOM 0 HD3 LYS A 2 18.493 -19.081 -5.417 1.00 4.66 H new ATOM 0 HE2 LYS A 2 17.798 -17.042 -6.428 1.00 5.66 H new ATOM 0 HE3 LYS A 2 16.280 -17.867 -6.132 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 16.849 -15.379 -5.277 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 15.680 -16.384 -4.565 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 17.235 -16.282 -3.892 1.00 5.96 H new ATOM 36 N THR A 3 14.100 -18.460 -0.132 1.00 1.72 N ATOM 37 CA THR A 3 13.218 -17.563 0.674 1.00 1.18 C ATOM 38 C THR A 3 14.127 -16.479 1.258 1.00 1.02 C ATOM 39 O THR A 3 14.964 -16.765 2.091 1.00 1.63 O ATOM 40 CB THR A 3 12.576 -18.366 1.809 1.00 1.48 C ATOM 41 OG1 THR A 3 11.853 -19.461 1.263 1.00 2.13 O ATOM 42 CG2 THR A 3 11.624 -17.467 2.601 1.00 2.22 C ATOM 0 H THR A 3 14.615 -19.155 0.408 1.00 1.72 H new ATOM 0 HA THR A 3 12.423 -17.130 0.068 1.00 1.18 H new ATOM 0 HB THR A 3 13.355 -18.740 2.474 1.00 1.48 H new ATOM 0 HG1 THR A 3 11.443 -19.977 1.989 1.00 2.13 H new ATOM 0 HG21 THR A 3 11.169 -18.041 3.408 1.00 2.22 H new ATOM 0 HG22 THR A 3 12.180 -16.629 3.021 1.00 2.22 H new ATOM 0 HG23 THR A 3 10.844 -17.090 1.939 1.00 2.22 H new ATOM 50 N GLY A 4 14.002 -15.248 0.845 1.00 0.52 N ATOM 51 CA GLY A 4 14.898 -14.194 1.406 1.00 0.30 C ATOM 52 C GLY A 4 14.712 -12.953 0.532 1.00 0.41 C ATOM 53 O GLY A 4 15.322 -12.807 -0.508 1.00 0.81 O ATOM 0 H GLY A 4 13.327 -14.927 0.151 1.00 0.52 H new ATOM 0 HA2 GLY A 4 14.642 -13.979 2.443 1.00 0.30 H new ATOM 0 HA3 GLY A 4 15.937 -14.523 1.396 1.00 0.30 H new ATOM 57 N GLY A 5 13.852 -12.064 0.952 1.00 0.01 N ATOM 58 CA GLY A 5 13.593 -10.833 0.156 1.00 0.01 C ATOM 59 C GLY A 5 14.735 -9.832 0.339 1.00 0.01 C ATOM 60 O GLY A 5 15.354 -9.759 1.382 1.00 0.01 O ATOM 0 H GLY A 5 13.316 -12.140 1.817 1.00 0.01 H new ATOM 0 HA2 GLY A 5 13.490 -11.089 -0.899 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.651 -10.382 0.468 1.00 0.01 H new ATOM 64 N LYS A 6 15.021 -9.061 -0.677 1.00 0.00 N ATOM 65 CA LYS A 6 16.127 -8.057 -0.577 1.00 0.01 C ATOM 66 C LYS A 6 15.847 -6.883 -1.518 1.00 0.01 C ATOM 67 O LYS A 6 15.414 -7.061 -2.639 1.00 0.00 O ATOM 68 CB LYS A 6 17.461 -8.703 -0.959 1.00 0.02 C ATOM 69 CG LYS A 6 18.615 -7.797 -0.518 1.00 0.02 C ATOM 70 CD LYS A 6 19.907 -8.240 -1.207 1.00 0.02 C ATOM 71 CE LYS A 6 20.163 -9.719 -0.911 1.00 0.02 C ATOM 72 NZ LYS A 6 19.862 -9.999 0.521 1.00 0.02 N ATOM 0 H LYS A 6 14.537 -9.082 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 6 16.182 -7.698 0.451 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.552 -9.681 -0.486 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.503 -8.865 -2.036 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.393 -6.760 -0.770 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.734 -7.843 0.565 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.831 -8.082 -2.283 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.744 -7.638 -0.855 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.540 -10.342 -1.553 1.00 0.02 H new ATOM 0 HE3 LYS A 6 21.200 -9.971 -1.131 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 20.418 -10.818 0.839 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 20.109 -9.168 1.096 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 18.849 -10.206 0.629 1.00 0.02 H new ATOM 86 N ILE A 7 16.104 -5.680 -1.059 1.00 0.02 N ATOM 87 CA ILE A 7 15.875 -4.465 -1.904 1.00 0.00 C ATOM 88 C ILE A 7 17.130 -3.584 -1.871 1.00 0.02 C ATOM 89 O ILE A 7 17.753 -3.413 -0.841 1.00 0.01 O ATOM 90 CB ILE A 7 14.651 -3.709 -1.385 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.509 -2.383 -2.136 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.809 -3.436 0.107 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.138 -1.768 -1.835 1.00 0.02 C ATOM 0 H ILE A 7 16.466 -5.487 -0.125 1.00 0.02 H new ATOM 0 HA ILE A 7 15.684 -4.753 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 7 13.760 -4.315 -1.548 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.301 -1.697 -1.836 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.618 -2.547 -3.208 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.935 -2.897 0.473 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.903 -4.381 0.642 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.702 -2.834 0.274 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.037 -0.824 -2.370 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.353 -2.453 -2.157 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.047 -1.589 -0.764 1.00 0.02 H new ATOM 105 N SER A 8 17.501 -3.020 -2.999 1.00 0.02 N ATOM 106 CA SER A 8 18.717 -2.139 -3.059 1.00 0.02 C ATOM 107 C SER A 8 18.338 -0.743 -3.568 1.00 0.01 C ATOM 108 O SER A 8 17.676 -0.600 -4.576 1.00 0.02 O ATOM 109 CB SER A 8 19.764 -2.751 -3.994 1.00 0.30 C ATOM 110 OG SER A 8 21.041 -2.221 -3.668 1.00 0.39 O ATOM 0 H SER A 8 17.011 -3.132 -3.886 1.00 0.02 H new ATOM 0 HA SER A 8 19.132 -2.055 -2.054 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.770 -3.836 -3.894 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.518 -2.528 -5.032 1.00 0.30 H new ATOM 0 HG SER A 8 21.563 -2.897 -3.187 1.00 0.39 H new ATOM 116 N PHE A 9 18.772 0.288 -2.876 1.00 0.02 N ATOM 117 CA PHE A 9 18.466 1.695 -3.302 1.00 0.01 C ATOM 118 C PHE A 9 19.755 2.382 -3.777 1.00 0.01 C ATOM 119 O PHE A 9 20.806 2.202 -3.193 1.00 0.02 O ATOM 120 CB PHE A 9 17.896 2.475 -2.108 1.00 0.02 C ATOM 121 CG PHE A 9 16.943 1.603 -1.324 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.446 0.599 -0.487 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.560 1.803 -1.423 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.568 -0.204 0.249 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.681 1.001 -0.685 1.00 0.02 C ATOM 126 CZ PHE A 9 15.184 -0.003 0.151 1.00 0.02 C ATOM 0 H PHE A 9 19.331 0.213 -2.026 1.00 0.02 H new ATOM 0 HA PHE A 9 17.740 1.675 -4.115 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.708 2.811 -1.463 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.378 3.367 -2.460 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.512 0.445 -0.410 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.172 2.576 -2.069 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.957 -0.979 0.893 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.615 1.157 -0.761 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.506 -0.622 0.720 1.00 0.02 H new ATOM 136 N TYR A 10 19.684 3.168 -4.830 1.00 0.02 N ATOM 137 CA TYR A 10 20.910 3.872 -5.346 1.00 0.01 C ATOM 138 C TYR A 10 20.666 5.387 -5.343 1.00 0.02 C ATOM 139 O TYR A 10 19.591 5.857 -5.668 1.00 0.01 O ATOM 140 CB TYR A 10 21.201 3.416 -6.780 1.00 0.02 C ATOM 141 CG TYR A 10 21.067 1.912 -6.882 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.799 1.320 -6.848 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.209 1.112 -7.023 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.672 -0.069 -6.954 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.079 -0.279 -7.127 1.00 0.02 C ATOM 146 CZ TYR A 10 20.810 -0.868 -7.094 1.00 0.00 C ATOM 147 OH TYR A 10 20.682 -2.238 -7.199 1.00 0.02 O ATOM 0 H TYR A 10 18.830 3.353 -5.356 1.00 0.02 H new ATOM 0 HA TYR A 10 21.759 3.632 -4.706 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.510 3.899 -7.471 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.207 3.720 -7.070 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.918 1.936 -6.740 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.188 1.567 -7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.693 -0.525 -6.928 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.958 -0.897 -7.233 1.00 0.02 H new ATOM 0 HH TYR A 10 21.029 -2.533 -8.067 1.00 0.02 H new ATOM 157 N GLU A 11 21.645 6.160 -4.943 1.00 0.00 N ATOM 158 CA GLU A 11 21.445 7.637 -4.880 1.00 0.02 C ATOM 159 C GLU A 11 21.315 8.252 -6.275 1.00 0.03 C ATOM 160 O GLU A 11 20.682 9.278 -6.428 1.00 0.03 O ATOM 161 CB GLU A 11 22.634 8.283 -4.168 1.00 0.00 C ATOM 162 CG GLU A 11 22.764 7.700 -2.763 1.00 0.00 C ATOM 163 CD GLU A 11 23.793 8.507 -1.970 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.632 9.138 -2.594 1.00 0.01 O ATOM 165 OE2 GLU A 11 23.726 8.481 -0.753 1.00 0.02 O ATOM 0 H GLU A 11 22.568 5.833 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 11 20.520 7.822 -4.334 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.549 8.106 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.496 9.363 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.799 7.724 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.069 6.655 -2.818 1.00 0.00 H new ATOM 172 N ASP A 12 21.895 7.658 -7.296 1.00 0.02 N ATOM 173 CA ASP A 12 21.778 8.247 -8.672 1.00 0.01 C ATOM 174 C ASP A 12 20.982 7.307 -9.581 1.00 0.02 C ATOM 175 O ASP A 12 20.679 6.182 -9.235 1.00 0.02 O ATOM 176 CB ASP A 12 23.173 8.454 -9.271 1.00 0.01 C ATOM 177 CG ASP A 12 23.077 9.371 -10.492 1.00 0.01 C ATOM 178 OD1 ASP A 12 22.705 10.520 -10.318 1.00 0.02 O ATOM 179 OD2 ASP A 12 23.378 8.909 -11.581 1.00 0.03 O ATOM 0 H ASP A 12 22.440 6.798 -7.237 1.00 0.02 H new ATOM 0 HA ASP A 12 21.263 9.205 -8.597 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.838 8.892 -8.527 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.603 7.494 -9.557 1.00 0.01 H new ATOM 184 N ARG A 13 20.642 7.784 -10.741 1.00 0.02 N ATOM 185 CA ARG A 13 19.858 6.969 -11.711 1.00 0.02 C ATOM 186 C ARG A 13 20.756 5.912 -12.358 1.00 0.00 C ATOM 187 O ARG A 13 21.970 6.000 -12.329 1.00 0.02 O ATOM 188 CB ARG A 13 19.315 7.904 -12.792 1.00 0.00 C ATOM 189 CG ARG A 13 18.159 8.729 -12.219 1.00 0.01 C ATOM 190 CD ARG A 13 17.700 9.765 -13.250 1.00 0.02 C ATOM 191 NE ARG A 13 16.893 10.816 -12.569 1.00 0.03 N ATOM 192 CZ ARG A 13 16.646 11.944 -13.176 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.099 12.150 -14.380 1.00 0.02 N ATOM 194 NH2 ARG A 13 15.947 12.867 -12.576 1.00 0.02 N ATOM 0 H ARG A 13 20.878 8.722 -11.066 1.00 0.02 H new ATOM 0 HA ARG A 13 19.041 6.465 -11.195 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.106 8.564 -13.148 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.973 7.325 -13.650 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.329 8.074 -11.954 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.476 9.229 -11.304 1.00 0.01 H new ATOM 0 HD2 ARG A 13 18.564 10.214 -13.740 1.00 0.02 H new ATOM 0 HD3 ARG A 13 17.108 9.283 -14.028 1.00 0.02 H new ATOM 0 HE ARG A 13 16.534 10.654 -11.628 1.00 0.03 H new ATOM 0 HH11 ARG A 13 17.647 11.429 -14.849 1.00 0.02 H new ATOM 0 HH12 ARG A 13 16.905 13.032 -14.854 1.00 0.02 H new ATOM 0 HH21 ARG A 13 15.594 12.707 -11.633 1.00 0.02 H new ATOM 0 HH22 ARG A 13 15.754 13.749 -13.050 1.00 0.02 H new ATOM 208 N ASN A 14 20.151 4.904 -12.934 1.00 0.02 N ATOM 209 CA ASN A 14 20.926 3.819 -13.603 1.00 0.02 C ATOM 210 C ASN A 14 21.808 3.087 -12.594 1.00 0.02 C ATOM 211 O ASN A 14 22.908 2.665 -12.890 1.00 0.02 O ATOM 212 CB ASN A 14 21.774 4.426 -14.728 1.00 0.26 C ATOM 213 CG ASN A 14 22.238 3.319 -15.678 1.00 0.12 C ATOM 214 OD1 ASN A 14 21.387 2.410 -16.065 1.00 0.74 O flip ATOM 215 ND2 ASN A 14 23.387 3.282 -16.072 1.00 0.46 N flip ATOM 0 H ASN A 14 19.138 4.787 -12.969 1.00 0.02 H new ATOM 0 HA ASN A 14 20.235 3.091 -14.028 1.00 0.02 H new ATOM 0 HB2 ASN A 14 21.193 5.168 -15.275 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.637 4.943 -14.308 1.00 0.26 H new ATOM 0 HD21 ASN A 14 24.053 3.993 -15.770 1.00 0.46 H new ATOM 0 HD22 ASN A 14 23.685 2.540 -16.705 1.00 0.46 H new ATOM 222 N PHE A 15 21.300 2.961 -11.395 1.00 0.02 N ATOM 223 CA PHE A 15 22.026 2.270 -10.287 1.00 0.02 C ATOM 224 C PHE A 15 23.453 2.794 -10.156 1.00 0.00 C ATOM 225 O PHE A 15 24.389 2.047 -9.951 1.00 0.02 O ATOM 226 CB PHE A 15 22.027 0.742 -10.489 1.00 0.02 C ATOM 227 CG PHE A 15 22.404 0.379 -11.904 1.00 0.02 C ATOM 228 CD1 PHE A 15 21.413 0.256 -12.885 1.00 0.02 C ATOM 229 CD2 PHE A 15 23.748 0.164 -12.237 1.00 0.02 C ATOM 230 CE1 PHE A 15 21.763 -0.082 -14.197 1.00 0.02 C ATOM 231 CE2 PHE A 15 24.098 -0.173 -13.550 1.00 0.02 C ATOM 232 CZ PHE A 15 23.107 -0.296 -14.530 1.00 0.02 C ATOM 0 H PHE A 15 20.383 3.320 -11.131 1.00 0.02 H new ATOM 0 HA PHE A 15 21.496 2.488 -9.360 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.728 0.281 -9.793 1.00 0.02 H new ATOM 0 HB3 PHE A 15 21.040 0.341 -10.259 1.00 0.02 H new ATOM 0 HD1 PHE A 15 20.377 0.422 -12.629 1.00 0.02 H new ATOM 0 HD2 PHE A 15 24.514 0.258 -11.481 1.00 0.02 H new ATOM 0 HE1 PHE A 15 20.997 -0.178 -14.953 1.00 0.02 H new ATOM 0 HE2 PHE A 15 25.134 -0.338 -13.807 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.378 -0.556 -15.543 1.00 0.02 H new ATOM 242 N GLN A 16 23.608 4.090 -10.239 1.00 0.02 N ATOM 243 CA GLN A 16 24.958 4.715 -10.083 1.00 0.02 C ATOM 244 C GLN A 16 24.975 5.462 -8.743 1.00 0.02 C ATOM 245 O GLN A 16 23.941 5.688 -8.139 1.00 0.02 O ATOM 246 CB GLN A 16 25.193 5.712 -11.225 1.00 0.02 C ATOM 247 CG GLN A 16 25.605 4.957 -12.489 1.00 0.00 C ATOM 248 CD GLN A 16 27.040 4.449 -12.335 1.00 0.00 C ATOM 249 OE1 GLN A 16 27.269 3.259 -12.257 1.00 0.02 O ATOM 250 NE2 GLN A 16 28.022 5.308 -12.287 1.00 0.02 N ATOM 0 H GLN A 16 22.849 4.750 -10.410 1.00 0.02 H new ATOM 0 HA GLN A 16 25.739 3.955 -10.109 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.286 6.287 -11.412 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.969 6.424 -10.945 1.00 0.02 H new ATOM 0 HG2 GLN A 16 24.928 4.120 -12.662 1.00 0.00 H new ATOM 0 HG3 GLN A 16 25.531 5.612 -13.357 1.00 0.00 H new ATOM 0 HE21 GLN A 16 27.829 6.307 -12.353 1.00 0.02 H new ATOM 0 HE22 GLN A 16 28.982 4.980 -12.184 1.00 0.02 H new ATOM 259 N GLY A 17 26.129 5.845 -8.261 1.00 0.03 N ATOM 260 CA GLY A 17 26.184 6.575 -6.957 1.00 0.03 C ATOM 261 C GLY A 17 26.314 5.589 -5.789 1.00 0.02 C ATOM 262 O GLY A 17 26.565 4.415 -5.979 1.00 0.02 O ATOM 0 H GLY A 17 27.031 5.686 -8.710 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.030 7.263 -6.955 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.284 7.177 -6.833 1.00 0.03 H new ATOM 266 N ARG A 18 26.130 6.059 -4.584 1.00 0.00 N ATOM 267 CA ARG A 18 26.225 5.160 -3.395 1.00 0.02 C ATOM 268 C ARG A 18 25.041 4.189 -3.412 1.00 0.02 C ATOM 269 O ARG A 18 23.948 4.532 -3.822 1.00 0.02 O ATOM 270 CB ARG A 18 26.194 6.011 -2.116 1.00 0.79 C ATOM 271 CG ARG A 18 26.756 5.207 -0.927 1.00 1.49 C ATOM 272 CD ARG A 18 28.282 5.344 -0.866 1.00 1.42 C ATOM 273 NE ARG A 18 28.648 6.782 -0.740 1.00 2.07 N ATOM 274 CZ ARG A 18 29.853 7.118 -0.373 1.00 2.35 C ATOM 275 NH1 ARG A 18 30.740 6.193 -0.121 1.00 2.53 N ATOM 276 NH2 ARG A 18 30.172 8.379 -0.258 1.00 2.76 N ATOM 0 H ARG A 18 25.917 7.033 -4.370 1.00 0.00 H new ATOM 0 HA ARG A 18 27.156 4.593 -3.422 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.780 6.918 -2.260 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.172 6.323 -1.903 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.315 5.564 0.003 1.00 1.49 H new ATOM 0 HG3 ARG A 18 26.482 4.157 -1.027 1.00 1.49 H new ATOM 0 HD2 ARG A 18 28.674 4.782 -0.018 1.00 1.42 H new ATOM 0 HD3 ARG A 18 28.732 4.921 -1.764 1.00 1.42 H new ATOM 0 HE ARG A 18 27.956 7.504 -0.941 1.00 2.07 H new ATOM 0 HH11 ARG A 18 30.490 5.208 -0.211 1.00 2.53 H new ATOM 0 HH12 ARG A 18 31.683 6.455 0.166 1.00 2.53 H new ATOM 0 HH21 ARG A 18 29.479 9.101 -0.455 1.00 2.76 H new ATOM 0 HH22 ARG A 18 31.115 8.642 0.029 1.00 2.76 H new ATOM 290 N ARG A 19 25.266 2.965 -2.993 1.00 0.02 N ATOM 291 CA ARG A 19 24.182 1.931 -3.001 1.00 0.02 C ATOM 292 C ARG A 19 23.969 1.382 -1.585 1.00 0.02 C ATOM 293 O ARG A 19 24.888 1.292 -0.796 1.00 0.02 O ATOM 294 CB ARG A 19 24.631 0.784 -3.913 1.00 0.85 C ATOM 295 CG ARG A 19 23.518 -0.261 -4.066 1.00 1.31 C ATOM 296 CD ARG A 19 24.077 -1.488 -4.793 1.00 1.34 C ATOM 297 NE ARG A 19 22.955 -2.330 -5.296 1.00 1.50 N ATOM 298 CZ ARG A 19 23.188 -3.269 -6.172 1.00 1.63 C ATOM 299 NH1 ARG A 19 24.401 -3.461 -6.613 1.00 1.72 N ATOM 300 NH2 ARG A 19 22.208 -4.014 -6.608 1.00 1.89 N ATOM 0 H ARG A 19 26.165 2.636 -2.642 1.00 0.02 H new ATOM 0 HA ARG A 19 23.251 2.373 -3.355 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.903 1.178 -4.892 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.523 0.313 -3.500 1.00 0.85 H new ATOM 0 HG2 ARG A 19 23.134 -0.547 -3.087 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.682 0.159 -4.626 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.709 -1.174 -5.624 1.00 1.34 H new ATOM 0 HD3 ARG A 19 24.705 -2.068 -4.117 1.00 1.34 H new ATOM 0 HE ARG A 19 22.006 -2.173 -4.956 1.00 1.50 H new ATOM 0 HH11 ARG A 19 25.166 -2.878 -6.273 1.00 1.72 H new ATOM 0 HH12 ARG A 19 24.585 -4.194 -7.298 1.00 1.72 H new ATOM 0 HH21 ARG A 19 21.260 -3.862 -6.264 1.00 1.89 H new ATOM 0 HH22 ARG A 19 22.391 -4.748 -7.293 1.00 1.89 H new ATOM 314 N TYR A 20 22.759 0.975 -1.282 1.00 0.02 N ATOM 315 CA TYR A 20 22.468 0.381 0.065 1.00 0.02 C ATOM 316 C TYR A 20 21.576 -0.849 -0.107 1.00 0.02 C ATOM 317 O TYR A 20 20.587 -0.803 -0.804 1.00 0.02 O ATOM 318 CB TYR A 20 21.774 1.391 0.990 1.00 0.02 C ATOM 319 CG TYR A 20 21.972 0.941 2.424 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.256 -0.156 2.918 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.892 1.601 3.245 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.456 -0.587 4.236 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.095 1.166 4.561 1.00 0.02 C ATOM 324 CZ TYR A 20 22.376 0.074 5.056 1.00 0.02 C ATOM 325 OH TYR A 20 22.578 -0.354 6.352 1.00 0.01 O ATOM 0 H TYR A 20 21.957 1.028 -1.910 1.00 0.02 H new ATOM 0 HA TYR A 20 23.416 0.100 0.524 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.191 2.388 0.844 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.711 1.453 0.755 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.550 -0.670 2.283 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.446 2.446 2.864 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.900 -1.430 4.619 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.807 1.675 5.194 1.00 0.02 H new ATOM 0 HH TYR A 20 23.251 0.214 6.783 1.00 0.01 H new ATOM 335 N ASP A 21 21.910 -1.941 0.533 1.00 0.01 N ATOM 336 CA ASP A 21 21.079 -3.183 0.425 1.00 0.02 C ATOM 337 C ASP A 21 20.371 -3.428 1.760 1.00 0.00 C ATOM 338 O ASP A 21 20.955 -3.296 2.818 1.00 0.01 O ATOM 339 CB ASP A 21 22.001 -4.365 0.113 1.00 0.12 C ATOM 340 CG ASP A 21 22.528 -4.239 -1.316 1.00 0.41 C ATOM 341 OD1 ASP A 21 21.782 -4.545 -2.231 1.00 1.12 O ATOM 342 OD2 ASP A 21 23.671 -3.837 -1.471 1.00 0.56 O ATOM 0 H ASP A 21 22.731 -2.028 1.132 1.00 0.01 H new ATOM 0 HA ASP A 21 20.337 -3.073 -0.366 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.832 -4.387 0.818 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.459 -5.303 0.230 1.00 0.12 H new ATOM 347 N CYS A 22 19.103 -3.774 1.713 1.00 0.01 N ATOM 348 CA CYS A 22 18.323 -4.021 2.971 1.00 0.00 C ATOM 349 C CYS A 22 17.640 -5.387 2.886 1.00 0.02 C ATOM 350 O CYS A 22 17.102 -5.764 1.859 1.00 0.01 O ATOM 351 CB CYS A 22 17.268 -2.923 3.133 1.00 0.00 C ATOM 352 SG CYS A 22 16.692 -2.886 4.848 1.00 0.02 S ATOM 0 H CYS A 22 18.572 -3.896 0.851 1.00 0.01 H new ATOM 0 HA CYS A 22 18.994 -4.009 3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.690 -1.956 2.859 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.430 -3.107 2.461 1.00 0.00 H new ATOM 0 HG CYS A 22 15.492 -3.383 4.914 1.00 0.02 H new ATOM 358 N ASP A 23 17.664 -6.136 3.963 1.00 0.01 N ATOM 359 CA ASP A 23 17.032 -7.494 3.978 1.00 0.02 C ATOM 360 C ASP A 23 15.905 -7.541 5.018 1.00 0.00 C ATOM 361 O ASP A 23 15.399 -8.598 5.339 1.00 0.02 O ATOM 362 CB ASP A 23 18.097 -8.533 4.332 1.00 0.16 C ATOM 363 CG ASP A 23 18.864 -8.077 5.574 1.00 0.17 C ATOM 364 OD1 ASP A 23 18.288 -8.113 6.649 1.00 0.17 O ATOM 365 OD2 ASP A 23 20.016 -7.698 5.429 1.00 0.20 O ATOM 0 H ASP A 23 18.100 -5.860 4.843 1.00 0.01 H new ATOM 0 HA ASP A 23 16.613 -7.709 2.995 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.629 -9.500 4.516 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.784 -8.665 3.496 1.00 0.16 H new ATOM 370 N CYS A 24 15.494 -6.413 5.542 1.00 0.01 N ATOM 371 CA CYS A 24 14.392 -6.414 6.550 1.00 0.01 C ATOM 372 C CYS A 24 13.767 -5.013 6.602 1.00 0.01 C ATOM 373 O CYS A 24 14.249 -4.093 5.972 1.00 0.01 O ATOM 374 CB CYS A 24 14.953 -6.781 7.927 1.00 0.62 C ATOM 375 SG CYS A 24 15.189 -8.574 8.026 1.00 1.23 S ATOM 0 H CYS A 24 15.874 -5.494 5.315 1.00 0.01 H new ATOM 0 HA CYS A 24 13.635 -7.146 6.270 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.901 -6.269 8.093 1.00 0.62 H new ATOM 0 HB3 CYS A 24 14.270 -6.450 8.710 1.00 0.62 H new ATOM 0 HG CYS A 24 15.175 -9.080 6.829 1.00 1.23 H new ATOM 381 N ASP A 25 12.698 -4.836 7.338 1.00 0.02 N ATOM 382 CA ASP A 25 12.052 -3.490 7.415 1.00 0.01 C ATOM 383 C ASP A 25 13.013 -2.474 8.036 1.00 0.02 C ATOM 384 O ASP A 25 13.781 -2.789 8.921 1.00 0.00 O ATOM 385 CB ASP A 25 10.803 -3.586 8.294 1.00 0.01 C ATOM 386 CG ASP A 25 11.169 -4.229 9.634 1.00 0.01 C ATOM 387 OD1 ASP A 25 12.338 -4.520 9.829 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.275 -4.422 10.441 1.00 0.01 O ATOM 0 H ASP A 25 12.245 -5.565 7.889 1.00 0.02 H new ATOM 0 HA ASP A 25 11.788 -3.166 6.408 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.383 -2.593 8.458 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.037 -4.177 7.792 1.00 0.01 H new ATOM 393 N CYS A 26 12.950 -1.241 7.589 1.00 0.01 N ATOM 394 CA CYS A 26 13.829 -0.168 8.158 1.00 0.01 C ATOM 395 C CYS A 26 12.986 1.094 8.411 1.00 0.01 C ATOM 396 O CYS A 26 12.372 1.635 7.513 1.00 0.01 O ATOM 397 CB CYS A 26 14.975 0.127 7.188 1.00 0.01 C ATOM 398 SG CYS A 26 14.399 1.179 5.830 1.00 0.02 S ATOM 0 H CYS A 26 12.322 -0.930 6.848 1.00 0.01 H new ATOM 0 HA CYS A 26 14.258 -0.499 9.104 1.00 0.01 H new ATOM 0 HB2 CYS A 26 15.790 0.620 7.718 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.372 -0.807 6.790 1.00 0.01 H new ATOM 0 HG CYS A 26 15.398 1.865 5.359 1.00 0.02 H new ATOM 404 N ALA A 27 12.909 1.528 9.645 1.00 0.01 N ATOM 405 CA ALA A 27 12.060 2.715 9.981 1.00 0.01 C ATOM 406 C ALA A 27 12.748 4.043 9.627 1.00 0.01 C ATOM 407 O ALA A 27 12.095 5.061 9.492 1.00 0.02 O ATOM 408 CB ALA A 27 11.745 2.695 11.477 1.00 0.24 C ATOM 0 H ALA A 27 13.399 1.111 10.437 1.00 0.01 H new ATOM 0 HA ALA A 27 11.147 2.649 9.389 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.127 3.556 11.730 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.209 1.779 11.724 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.674 2.736 12.045 1.00 0.24 H new ATOM 414 N ASP A 28 14.049 4.062 9.496 1.00 0.01 N ATOM 415 CA ASP A 28 14.742 5.354 9.171 1.00 0.02 C ATOM 416 C ASP A 28 16.045 5.079 8.419 1.00 0.01 C ATOM 417 O ASP A 28 17.020 4.624 8.988 1.00 0.02 O ATOM 418 CB ASP A 28 15.047 6.115 10.464 1.00 0.67 C ATOM 419 CG ASP A 28 13.816 6.092 11.373 1.00 0.90 C ATOM 420 OD1 ASP A 28 12.966 6.952 11.208 1.00 0.87 O ATOM 421 OD2 ASP A 28 13.745 5.214 12.217 1.00 1.14 O ATOM 0 H ASP A 28 14.660 3.251 9.598 1.00 0.01 H new ATOM 0 HA ASP A 28 14.088 5.956 8.540 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.897 5.661 10.974 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.325 7.144 10.236 1.00 0.67 H new ATOM 426 N PHE A 29 16.066 5.342 7.136 1.00 0.02 N ATOM 427 CA PHE A 29 17.289 5.097 6.308 1.00 0.02 C ATOM 428 C PHE A 29 18.024 6.424 6.047 1.00 0.00 C ATOM 429 O PHE A 29 18.946 6.496 5.260 1.00 0.02 O ATOM 430 CB PHE A 29 16.840 4.462 4.960 1.00 2.87 C ATOM 431 CG PHE A 29 17.392 3.055 4.801 1.00 3.99 C ATOM 432 CD1 PHE A 29 17.278 2.135 5.847 1.00 4.68 C ATOM 433 CD2 PHE A 29 18.009 2.676 3.600 1.00 4.52 C ATOM 434 CE1 PHE A 29 17.779 0.837 5.696 1.00 5.85 C ATOM 435 CE2 PHE A 29 18.510 1.378 3.450 1.00 5.75 C ATOM 436 CZ PHE A 29 18.395 0.460 4.498 1.00 6.37 C ATOM 0 H PHE A 29 15.274 5.723 6.618 1.00 0.02 H new ATOM 0 HA PHE A 29 17.970 4.427 6.832 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.751 4.435 4.913 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.180 5.084 4.132 1.00 2.87 H new ATOM 0 HD1 PHE A 29 16.803 2.426 6.772 1.00 4.68 H new ATOM 0 HD2 PHE A 29 18.098 3.386 2.791 1.00 4.52 H new ATOM 0 HE1 PHE A 29 17.690 0.126 6.504 1.00 5.85 H new ATOM 0 HE2 PHE A 29 18.985 1.086 2.525 1.00 5.75 H new ATOM 0 HZ PHE A 29 18.782 -0.542 4.383 1.00 6.37 H new ATOM 446 N ARG A 30 17.576 7.484 6.663 1.00 0.01 N ATOM 447 CA ARG A 30 18.194 8.818 6.423 1.00 0.00 C ATOM 448 C ARG A 30 19.672 8.848 6.821 1.00 0.01 C ATOM 449 O ARG A 30 20.447 9.593 6.255 1.00 0.02 O ATOM 450 CB ARG A 30 17.451 9.882 7.235 1.00 0.32 C ATOM 451 CG ARG A 30 15.991 9.948 6.781 1.00 0.86 C ATOM 452 CD ARG A 30 15.323 11.182 7.390 1.00 1.62 C ATOM 453 NE ARG A 30 16.003 12.412 6.893 1.00 2.25 N ATOM 454 CZ ARG A 30 15.433 13.577 7.036 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.267 13.666 7.615 1.00 3.11 N ATOM 456 NH2 ARG A 30 16.029 14.652 6.598 1.00 3.02 N ATOM 0 H ARG A 30 16.802 7.482 7.327 1.00 0.01 H new ATOM 0 HA ARG A 30 18.121 9.021 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.502 9.644 8.297 1.00 0.32 H new ATOM 0 HB3 ARG A 30 17.928 10.853 7.103 1.00 0.32 H new ATOM 0 HG2 ARG A 30 15.939 9.993 5.693 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.462 9.046 7.089 1.00 0.86 H new ATOM 0 HD2 ARG A 30 14.266 11.205 7.124 1.00 1.62 H new ATOM 0 HD3 ARG A 30 15.377 11.138 8.478 1.00 1.62 H new ATOM 0 HE ARG A 30 16.915 12.343 6.441 1.00 2.25 H new ATOM 0 HH11 ARG A 30 13.801 12.825 7.956 1.00 3.11 H new ATOM 0 HH12 ARG A 30 13.821 14.577 7.727 1.00 3.11 H new ATOM 0 HH21 ARG A 30 16.940 14.581 6.144 1.00 3.02 H new ATOM 0 HH22 ARG A 30 15.584 15.563 6.709 1.00 3.02 H new ATOM 470 N SER A 31 20.086 8.082 7.794 1.00 0.02 N ATOM 471 CA SER A 31 21.519 8.132 8.214 1.00 0.02 C ATOM 472 C SER A 31 22.404 7.371 7.229 1.00 0.01 C ATOM 473 O SER A 31 23.609 7.523 7.224 1.00 0.02 O ATOM 474 CB SER A 31 21.653 7.502 9.601 1.00 0.37 C ATOM 475 OG SER A 31 21.025 8.341 10.561 1.00 0.88 O ATOM 0 H SER A 31 19.501 7.428 8.314 1.00 0.02 H new ATOM 0 HA SER A 31 21.841 9.173 8.235 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.194 6.513 9.610 1.00 0.37 H new ATOM 0 HB3 SER A 31 22.705 7.367 9.852 1.00 0.37 H new ATOM 0 HG SER A 31 21.108 7.939 11.451 1.00 0.88 H new ATOM 481 N TYR A 32 21.820 6.528 6.420 1.00 0.01 N ATOM 482 CA TYR A 32 22.625 5.718 5.454 1.00 0.01 C ATOM 483 C TYR A 32 22.442 6.240 4.030 1.00 0.02 C ATOM 484 O TYR A 32 23.240 5.967 3.155 1.00 0.02 O ATOM 485 CB TYR A 32 22.140 4.273 5.516 1.00 0.02 C ATOM 486 CG TYR A 32 22.506 3.675 6.855 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.848 3.413 7.157 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.507 3.382 7.793 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.191 2.860 8.397 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.851 2.828 9.033 1.00 0.02 C ATOM 491 CZ TYR A 32 23.192 2.568 9.335 1.00 0.02 C ATOM 492 OH TYR A 32 23.531 2.023 10.557 1.00 0.02 O ATOM 0 H TYR A 32 20.814 6.363 6.385 1.00 0.01 H new ATOM 0 HA TYR A 32 23.680 5.787 5.720 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.060 4.234 5.371 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.590 3.692 4.711 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.618 3.637 6.434 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.472 3.583 7.560 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.226 2.659 8.630 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.081 2.602 9.756 1.00 0.02 H new ATOM 0 HH TYR A 32 22.720 1.883 11.089 1.00 0.02 H new ATOM 502 N LEU A 33 21.381 6.950 3.772 1.00 0.02 N ATOM 503 CA LEU A 33 21.131 7.443 2.384 1.00 0.02 C ATOM 504 C LEU A 33 20.379 8.777 2.440 1.00 0.02 C ATOM 505 O LEU A 33 19.362 8.905 3.091 1.00 0.02 O ATOM 506 CB LEU A 33 20.247 6.403 1.674 1.00 1.66 C ATOM 507 CG LEU A 33 20.439 6.486 0.145 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.666 5.671 -0.283 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.200 5.925 -0.559 1.00 2.80 C ATOM 0 H LEU A 33 20.675 7.212 4.460 1.00 0.02 H new ATOM 0 HA LEU A 33 22.073 7.585 1.855 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.499 5.402 2.025 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.200 6.574 1.925 1.00 1.66 H new ATOM 0 HG LEU A 33 20.586 7.530 -0.132 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.789 5.739 -1.364 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.555 6.066 0.209 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.527 4.628 0.002 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.337 5.984 -1.639 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.056 4.884 -0.268 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.324 6.506 -0.272 1.00 2.80 H new ATOM 521 N SER A 34 20.895 9.777 1.774 1.00 0.02 N ATOM 522 CA SER A 34 20.244 11.118 1.793 1.00 0.02 C ATOM 523 C SER A 34 19.167 11.226 0.708 1.00 0.00 C ATOM 524 O SER A 34 18.379 12.151 0.703 1.00 0.01 O ATOM 525 CB SER A 34 21.304 12.191 1.552 1.00 0.02 C ATOM 526 OG SER A 34 20.696 13.473 1.628 1.00 0.02 O ATOM 0 H SER A 34 21.746 9.720 1.214 1.00 0.02 H new ATOM 0 HA SER A 34 19.771 11.258 2.765 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.098 12.107 2.294 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.765 12.051 0.574 1.00 0.02 H new ATOM 0 HG SER A 34 19.738 13.393 1.437 1.00 0.02 H new ATOM 532 N ARG A 35 19.118 10.297 -0.213 1.00 0.02 N ATOM 533 CA ARG A 35 18.092 10.353 -1.293 1.00 0.01 C ATOM 534 C ARG A 35 18.156 9.044 -2.088 1.00 0.02 C ATOM 535 O ARG A 35 19.135 8.326 -2.032 1.00 0.02 O ATOM 536 CB ARG A 35 18.382 11.533 -2.224 1.00 0.02 C ATOM 537 CG ARG A 35 19.825 11.445 -2.725 1.00 0.02 C ATOM 538 CD ARG A 35 20.145 12.678 -3.573 1.00 0.02 C ATOM 539 NE ARG A 35 21.563 12.616 -4.025 1.00 0.02 N ATOM 540 CZ ARG A 35 21.972 13.389 -4.994 1.00 0.02 C ATOM 541 NH1 ARG A 35 21.138 14.212 -5.568 1.00 0.00 N ATOM 542 NH2 ARG A 35 23.215 13.339 -5.388 1.00 0.02 N ATOM 0 H ARG A 35 19.750 9.498 -0.262 1.00 0.02 H new ATOM 0 HA ARG A 35 17.101 10.483 -0.859 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.692 11.523 -3.067 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.226 12.474 -1.696 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.512 11.383 -1.881 1.00 0.02 H new ATOM 0 HG3 ARG A 35 19.962 10.539 -3.315 1.00 0.02 H new ATOM 0 HD2 ARG A 35 19.479 12.723 -4.435 1.00 0.02 H new ATOM 0 HD3 ARG A 35 19.976 13.585 -2.993 1.00 0.02 H new ATOM 0 HE ARG A 35 22.214 11.970 -3.578 1.00 0.02 H new ATOM 0 HH11 ARG A 35 20.167 14.251 -5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.457 14.816 -6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 35 23.867 12.696 -4.939 1.00 0.02 H new ATOM 0 HH22 ARG A 35 23.535 13.943 -6.145 1.00 0.02 H new ATOM 556 N CYS A 36 17.128 8.723 -2.833 1.00 0.02 N ATOM 557 CA CYS A 36 17.132 7.460 -3.637 1.00 0.02 C ATOM 558 C CYS A 36 16.423 7.718 -4.973 1.00 0.02 C ATOM 559 O CYS A 36 15.253 8.046 -4.984 1.00 0.02 O ATOM 560 CB CYS A 36 16.382 6.373 -2.860 1.00 0.02 C ATOM 561 SG CYS A 36 15.906 5.030 -3.974 1.00 0.02 S ATOM 0 H CYS A 36 16.281 9.284 -2.920 1.00 0.02 H new ATOM 0 HA CYS A 36 18.156 7.136 -3.823 1.00 0.02 H new ATOM 0 HB2 CYS A 36 17.013 5.986 -2.060 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.495 6.797 -2.390 1.00 0.02 H new ATOM 0 HG CYS A 36 16.919 4.706 -4.721 1.00 0.02 H new ATOM 567 N ASN A 37 17.105 7.610 -6.096 1.00 0.02 N ATOM 568 CA ASN A 37 16.431 7.899 -7.411 1.00 0.01 C ATOM 569 C ASN A 37 16.216 6.619 -8.229 1.00 0.02 C ATOM 570 O ASN A 37 15.671 6.649 -9.316 1.00 0.02 O ATOM 571 CB ASN A 37 17.290 8.870 -8.224 1.00 0.02 C ATOM 572 CG ASN A 37 17.356 10.220 -7.508 1.00 0.01 C ATOM 573 OD1 ASN A 37 16.731 11.174 -7.924 1.00 0.03 O ATOM 574 ND2 ASN A 37 18.094 10.340 -6.439 1.00 0.02 N ATOM 0 H ASN A 37 18.086 7.338 -6.159 1.00 0.02 H new ATOM 0 HA ASN A 37 15.457 8.338 -7.197 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.294 8.465 -8.351 1.00 0.02 H new ATOM 0 HB3 ASN A 37 16.869 8.996 -9.221 1.00 0.02 H new ATOM 0 HD21 ASN A 37 18.146 11.235 -5.953 1.00 0.02 H new ATOM 0 HD22 ASN A 37 18.619 9.539 -6.089 1.00 0.02 H new ATOM 581 N SER A 38 16.620 5.493 -7.704 1.00 0.02 N ATOM 582 CA SER A 38 16.425 4.201 -8.430 1.00 0.02 C ATOM 583 C SER A 38 16.438 3.063 -7.408 1.00 0.01 C ATOM 584 O SER A 38 16.996 3.188 -6.335 1.00 0.02 O ATOM 585 CB SER A 38 17.535 3.993 -9.461 1.00 0.01 C ATOM 586 OG SER A 38 17.409 2.696 -10.029 1.00 0.02 O ATOM 0 H SER A 38 17.080 5.411 -6.797 1.00 0.02 H new ATOM 0 HA SER A 38 15.472 4.218 -8.959 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.470 4.752 -10.241 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.511 4.103 -8.989 1.00 0.01 H new ATOM 0 HG SER A 38 16.472 2.533 -10.267 1.00 0.02 H new ATOM 592 N ILE A 39 15.805 1.957 -7.718 1.00 0.02 N ATOM 593 CA ILE A 39 15.761 0.824 -6.738 1.00 0.02 C ATOM 594 C ILE A 39 15.776 -0.523 -7.464 1.00 0.02 C ATOM 595 O ILE A 39 15.208 -0.694 -8.525 1.00 0.02 O ATOM 596 CB ILE A 39 14.464 0.920 -5.931 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.289 2.352 -5.423 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.525 -0.040 -4.739 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.101 2.421 -4.462 1.00 0.00 C ATOM 0 H ILE A 39 15.320 1.790 -8.600 1.00 0.02 H new ATOM 0 HA ILE A 39 16.634 0.890 -6.089 1.00 0.02 H new ATOM 0 HB ILE A 39 13.621 0.651 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.197 2.681 -4.917 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.129 3.028 -6.263 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.600 0.031 -4.167 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.651 -1.061 -5.100 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.368 0.226 -4.101 1.00 0.01 H new ATOM 0 HD11 ILE A 39 12.982 3.444 -4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.194 2.110 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.279 1.758 -3.615 1.00 0.00 H new ATOM 611 N ARG A 40 16.387 -1.505 -6.848 1.00 0.02 N ATOM 612 CA ARG A 40 16.417 -2.883 -7.423 1.00 0.02 C ATOM 613 C ARG A 40 15.799 -3.833 -6.396 1.00 0.01 C ATOM 614 O ARG A 40 16.271 -3.930 -5.281 1.00 0.02 O ATOM 615 CB ARG A 40 17.855 -3.329 -7.711 1.00 0.01 C ATOM 616 CG ARG A 40 17.834 -4.581 -8.591 1.00 0.02 C ATOM 617 CD ARG A 40 19.252 -5.141 -8.715 1.00 0.02 C ATOM 618 NE ARG A 40 19.227 -6.374 -9.549 1.00 0.02 N ATOM 619 CZ ARG A 40 20.338 -6.855 -10.038 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.471 -6.254 -9.798 1.00 0.02 N ATOM 621 NH2 ARG A 40 20.316 -7.938 -10.764 1.00 0.02 N ATOM 0 H ARG A 40 16.873 -1.407 -5.957 1.00 0.02 H new ATOM 0 HA ARG A 40 15.862 -2.894 -8.361 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.402 -2.529 -8.211 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.377 -3.537 -6.777 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.172 -5.331 -8.159 1.00 0.02 H new ATOM 0 HG3 ARG A 40 17.440 -4.338 -9.578 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.910 -4.398 -9.165 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.654 -5.365 -7.727 1.00 0.02 H new ATOM 0 HE ARG A 40 18.341 -6.843 -9.739 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.489 -5.408 -9.228 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.339 -6.630 -10.180 1.00 0.02 H new ATOM 0 HH21 ARG A 40 19.431 -8.409 -10.950 1.00 0.02 H new ATOM 0 HH22 ARG A 40 21.184 -8.314 -11.146 1.00 0.02 H new ATOM 635 N VAL A 41 14.779 -4.567 -6.765 1.00 0.02 N ATOM 636 CA VAL A 41 14.175 -5.553 -5.818 1.00 0.01 C ATOM 637 C VAL A 41 14.599 -6.938 -6.296 1.00 0.02 C ATOM 638 O VAL A 41 14.234 -7.365 -7.372 1.00 0.02 O ATOM 639 CB VAL A 41 12.652 -5.420 -5.806 1.00 0.01 C ATOM 640 CG1 VAL A 41 12.075 -6.339 -4.724 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.281 -3.973 -5.478 1.00 0.00 C ATOM 0 H VAL A 41 14.338 -4.525 -7.684 1.00 0.02 H new ATOM 0 HA VAL A 41 14.516 -5.378 -4.798 1.00 0.01 H new ATOM 0 HB VAL A 41 12.249 -5.697 -6.780 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.989 -6.248 -4.711 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.350 -7.372 -4.939 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.475 -6.052 -3.752 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.196 -3.869 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.681 -3.708 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.702 -3.309 -6.233 1.00 0.00 H new ATOM 651 N GLU A 42 15.397 -7.622 -5.520 1.00 0.01 N ATOM 652 CA GLU A 42 15.886 -8.965 -5.945 1.00 0.01 C ATOM 653 C GLU A 42 14.858 -10.038 -5.603 1.00 0.02 C ATOM 654 O GLU A 42 14.710 -11.013 -6.314 1.00 0.01 O ATOM 655 CB GLU A 42 17.207 -9.275 -5.236 1.00 0.99 C ATOM 656 CG GLU A 42 18.104 -8.034 -5.264 1.00 1.86 C ATOM 657 CD GLU A 42 19.529 -8.423 -4.866 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.683 -9.442 -4.212 1.00 3.81 O ATOM 659 OE2 GLU A 42 20.442 -7.695 -5.219 1.00 3.67 O ATOM 0 H GLU A 42 15.731 -7.308 -4.609 1.00 0.01 H new ATOM 0 HA GLU A 42 16.041 -8.959 -7.024 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.017 -9.577 -4.206 1.00 0.99 H new ATOM 0 HB3 GLU A 42 17.708 -10.110 -5.726 1.00 0.99 H new ATOM 0 HG2 GLU A 42 18.101 -7.593 -6.261 1.00 1.86 H new ATOM 0 HG3 GLU A 42 17.718 -7.278 -4.580 1.00 1.86 H new ATOM 666 N GLY A 43 14.149 -9.888 -4.521 1.00 0.01 N ATOM 667 CA GLY A 43 13.150 -10.928 -4.163 1.00 0.02 C ATOM 668 C GLY A 43 12.157 -10.386 -3.138 1.00 0.02 C ATOM 669 O GLY A 43 12.495 -9.542 -2.326 1.00 0.02 O ATOM 0 H GLY A 43 14.217 -9.100 -3.877 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.618 -11.252 -5.057 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.657 -11.804 -3.759 1.00 0.02 H new ATOM 673 N GLY A 44 10.948 -10.881 -3.147 1.00 0.00 N ATOM 674 CA GLY A 44 9.943 -10.405 -2.153 1.00 0.01 C ATOM 675 C GLY A 44 9.248 -9.136 -2.658 1.00 0.01 C ATOM 676 O GLY A 44 9.641 -8.545 -3.644 1.00 0.01 O ATOM 0 H GLY A 44 10.614 -11.592 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.203 -11.185 -1.973 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.432 -10.204 -1.200 1.00 0.01 H new ATOM 680 N THR A 45 8.232 -8.706 -1.954 1.00 0.01 N ATOM 681 CA THR A 45 7.497 -7.454 -2.328 1.00 0.00 C ATOM 682 C THR A 45 7.642 -6.466 -1.169 1.00 0.01 C ATOM 683 O THR A 45 7.549 -6.851 -0.022 1.00 0.01 O ATOM 684 CB THR A 45 6.014 -7.785 -2.548 1.00 0.73 C ATOM 685 OG1 THR A 45 5.877 -8.564 -3.729 1.00 0.88 O ATOM 686 CG2 THR A 45 5.199 -6.496 -2.691 1.00 1.48 C ATOM 0 H THR A 45 7.873 -9.175 -1.122 1.00 0.01 H new ATOM 0 HA THR A 45 7.901 -7.024 -3.245 1.00 0.00 H new ATOM 0 HB THR A 45 5.643 -8.345 -1.689 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.931 -8.779 -3.871 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.149 -6.745 -2.847 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.300 -5.899 -1.785 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.567 -5.926 -3.544 1.00 1.48 H new ATOM 694 N TRP A 46 7.943 -5.212 -1.439 1.00 0.02 N ATOM 695 CA TRP A 46 8.166 -4.235 -0.318 1.00 0.01 C ATOM 696 C TRP A 46 7.313 -2.975 -0.474 1.00 0.01 C ATOM 697 O TRP A 46 6.958 -2.555 -1.557 1.00 0.01 O ATOM 698 CB TRP A 46 9.640 -3.826 -0.308 1.00 0.00 C ATOM 699 CG TRP A 46 10.488 -5.028 -0.044 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.633 -6.077 -0.887 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.307 -5.324 1.123 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.489 -6.998 -0.310 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.931 -6.580 0.929 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.566 -4.632 2.318 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.782 -7.128 1.888 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.422 -5.181 3.287 1.00 0.02 C ATOM 707 CH2 TRP A 46 13.029 -6.426 3.072 1.00 0.01 C ATOM 0 H TRP A 46 8.043 -4.826 -2.378 1.00 0.02 H new ATOM 0 HA TRP A 46 7.881 -4.724 0.614 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.911 -3.379 -1.265 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.814 -3.070 0.458 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.158 -6.178 -1.852 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.760 -7.879 -0.747 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.104 -3.672 2.493 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.247 -8.088 1.718 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.613 -4.641 4.202 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.687 -6.843 3.820 1.00 0.01 H new ATOM 718 N ALA A 47 7.051 -2.340 0.641 1.00 0.01 N ATOM 719 CA ALA A 47 6.293 -1.056 0.658 1.00 0.01 C ATOM 720 C ALA A 47 7.316 0.018 1.028 1.00 0.01 C ATOM 721 O ALA A 47 8.085 -0.146 1.955 1.00 0.01 O ATOM 722 CB ALA A 47 5.178 -1.116 1.707 1.00 0.24 C ATOM 0 H ALA A 47 7.340 -2.669 1.562 1.00 0.01 H new ATOM 0 HA ALA A 47 5.821 -0.849 -0.302 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.631 -0.173 1.711 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.495 -1.931 1.466 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.613 -1.287 2.692 1.00 0.24 H new ATOM 728 N VAL A 48 7.317 1.124 0.324 1.00 0.01 N ATOM 729 CA VAL A 48 8.277 2.230 0.641 1.00 0.02 C ATOM 730 C VAL A 48 7.496 3.480 1.039 1.00 0.01 C ATOM 731 O VAL A 48 6.442 3.754 0.498 1.00 0.01 O ATOM 732 CB VAL A 48 9.147 2.533 -0.579 1.00 0.09 C ATOM 733 CG1 VAL A 48 10.009 1.312 -0.906 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.251 2.863 -1.776 1.00 0.65 C ATOM 0 H VAL A 48 6.692 1.310 -0.460 1.00 0.01 H new ATOM 0 HA VAL A 48 8.920 1.923 1.466 1.00 0.02 H new ATOM 0 HB VAL A 48 9.792 3.385 -0.364 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.630 1.527 -1.776 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.647 1.078 -0.054 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.365 0.459 -1.122 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.871 3.079 -2.646 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.605 2.012 -1.993 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.638 3.733 -1.542 1.00 0.65 H new ATOM 744 N TYR A 49 8.004 4.237 1.984 1.00 0.01 N ATOM 745 CA TYR A 49 7.293 5.478 2.434 1.00 0.01 C ATOM 746 C TYR A 49 8.187 6.701 2.222 1.00 0.01 C ATOM 747 O TYR A 49 9.398 6.644 2.326 1.00 0.02 O ATOM 748 CB TYR A 49 6.937 5.348 3.916 1.00 0.01 C ATOM 749 CG TYR A 49 5.825 4.334 4.077 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.094 2.972 3.897 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.532 4.755 4.409 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.069 2.030 4.048 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.506 3.813 4.560 1.00 0.01 C ATOM 754 CZ TYR A 49 3.776 2.450 4.381 1.00 0.02 C ATOM 755 OH TYR A 49 2.765 1.521 4.530 1.00 0.01 O ATOM 0 H TYR A 49 8.884 4.048 2.465 1.00 0.01 H new ATOM 0 HA TYR A 49 6.382 5.603 1.849 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.813 5.038 4.486 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.624 6.314 4.313 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.092 2.648 3.642 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.325 5.806 4.549 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.276 0.979 3.908 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.508 4.137 4.814 1.00 0.01 H new ATOM 0 HH TYR A 49 1.931 1.980 4.762 1.00 0.01 H new ATOM 765 N GLU A 50 7.574 7.799 1.874 1.00 0.01 N ATOM 766 CA GLU A 50 8.333 9.049 1.581 1.00 0.01 C ATOM 767 C GLU A 50 9.028 9.590 2.833 1.00 0.01 C ATOM 768 O GLU A 50 10.084 10.185 2.738 1.00 0.02 O ATOM 769 CB GLU A 50 7.351 10.100 1.059 1.00 0.02 C ATOM 770 CG GLU A 50 8.125 11.243 0.398 1.00 0.01 C ATOM 771 CD GLU A 50 7.198 12.446 0.205 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.960 13.148 1.174 1.00 0.02 O ATOM 773 OE2 GLU A 50 6.740 12.642 -0.910 1.00 0.01 O ATOM 0 H GLU A 50 6.562 7.884 1.779 1.00 0.01 H new ATOM 0 HA GLU A 50 9.100 8.826 0.840 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.667 9.648 0.341 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.744 10.485 1.879 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.978 11.524 1.016 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.522 10.919 -0.564 1.00 0.01 H new ATOM 780 N ARG A 51 8.449 9.420 4.002 1.00 0.02 N ATOM 781 CA ARG A 51 9.087 9.966 5.249 1.00 0.02 C ATOM 782 C ARG A 51 9.275 8.825 6.271 1.00 0.01 C ATOM 783 O ARG A 51 8.600 7.813 6.199 1.00 0.02 O ATOM 784 CB ARG A 51 8.143 11.046 5.828 1.00 0.02 C ATOM 785 CG ARG A 51 8.564 12.439 5.342 1.00 0.01 C ATOM 786 CD ARG A 51 7.546 13.477 5.815 1.00 0.02 C ATOM 787 NE ARG A 51 7.812 14.778 5.139 1.00 0.02 N ATOM 788 CZ ARG A 51 6.908 15.720 5.157 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.771 15.522 5.766 1.00 0.02 N ATOM 790 NH2 ARG A 51 7.141 16.859 4.562 1.00 0.01 N ATOM 0 H ARG A 51 7.567 8.929 4.147 1.00 0.02 H new ATOM 0 HA ARG A 51 10.063 10.398 5.028 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.116 10.842 5.523 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.165 11.012 6.917 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.554 12.685 5.725 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.632 12.451 4.254 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.535 13.139 5.590 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.609 13.597 6.896 1.00 0.02 H new ATOM 0 HE ARG A 51 8.700 14.933 4.662 1.00 0.02 H new ATOM 0 HH11 ARG A 51 5.588 14.631 6.228 1.00 0.02 H new ATOM 0 HH12 ARG A 51 5.065 16.258 5.780 1.00 0.02 H new ATOM 0 HH21 ARG A 51 8.029 17.012 4.084 1.00 0.01 H new ATOM 0 HH22 ARG A 51 6.435 17.595 4.576 1.00 0.01 H new ATOM 804 N PRO A 52 10.190 8.989 7.217 1.00 0.02 N ATOM 805 CA PRO A 52 10.454 7.938 8.243 1.00 0.02 C ATOM 806 C PRO A 52 9.185 7.499 8.983 1.00 0.01 C ATOM 807 O PRO A 52 8.155 8.142 8.941 1.00 0.02 O ATOM 808 CB PRO A 52 11.459 8.629 9.193 1.00 0.02 C ATOM 809 CG PRO A 52 11.653 10.083 8.722 1.00 0.01 C ATOM 810 CD PRO A 52 11.027 10.223 7.328 1.00 0.01 C ATOM 0 HA PRO A 52 10.833 7.014 7.806 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.088 8.609 10.218 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.411 8.099 9.188 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.183 10.775 9.421 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.713 10.334 8.690 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.426 11.129 7.243 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.785 10.269 6.547 1.00 0.01 H new ATOM 818 N ASN A 53 9.297 6.406 9.691 1.00 0.02 N ATOM 819 CA ASN A 53 8.156 5.886 10.492 1.00 0.02 C ATOM 820 C ASN A 53 6.986 5.498 9.588 1.00 0.01 C ATOM 821 O ASN A 53 5.832 5.654 9.935 1.00 0.01 O ATOM 822 CB ASN A 53 7.714 6.960 11.491 1.00 0.01 C ATOM 823 CG ASN A 53 8.948 7.659 12.068 1.00 0.02 C ATOM 824 OD1 ASN A 53 10.116 7.090 11.953 1.00 0.02 O flip ATOM 825 ND2 ASN A 53 8.848 8.732 12.629 1.00 0.01 N flip ATOM 0 H ASN A 53 10.147 5.844 9.747 1.00 0.02 H new ATOM 0 HA ASN A 53 8.478 4.993 11.027 1.00 0.02 H new ATOM 0 HB2 ASN A 53 7.068 7.687 10.998 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.131 6.508 12.293 1.00 0.01 H new ATOM 0 HD21 ASN A 53 7.935 9.177 12.719 1.00 0.01 H new ATOM 0 HD22 ASN A 53 9.677 9.188 13.010 1.00 0.01 H new ATOM 832 N PHE A 54 7.290 4.964 8.436 1.00 0.02 N ATOM 833 CA PHE A 54 6.229 4.522 7.492 1.00 0.01 C ATOM 834 C PHE A 54 5.133 5.583 7.373 1.00 0.01 C ATOM 835 O PHE A 54 3.960 5.306 7.522 1.00 0.02 O ATOM 836 CB PHE A 54 5.635 3.202 7.997 1.00 1.78 C ATOM 837 CG PHE A 54 6.741 2.347 8.576 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.822 1.969 7.772 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.688 1.935 9.915 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.850 1.179 8.304 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.716 1.146 10.446 1.00 3.32 C ATOM 842 CZ PHE A 54 8.797 0.768 9.640 1.00 3.39 C ATOM 0 H PHE A 54 8.243 4.814 8.106 1.00 0.02 H new ATOM 0 HA PHE A 54 6.665 4.377 6.503 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.876 3.397 8.754 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.142 2.675 7.180 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.864 2.286 6.741 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.854 2.226 10.537 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.684 0.887 7.682 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.675 0.829 11.478 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.589 0.159 10.050 1.00 3.39 H new ATOM 852 N SER A 55 5.529 6.804 7.102 1.00 0.02 N ATOM 853 CA SER A 55 4.539 7.924 6.964 1.00 0.02 C ATOM 854 C SER A 55 4.735 8.630 5.618 1.00 0.01 C ATOM 855 O SER A 55 5.745 8.466 4.962 1.00 0.01 O ATOM 856 CB SER A 55 4.759 8.928 8.097 1.00 1.90 C ATOM 857 OG SER A 55 3.971 10.088 7.860 1.00 2.33 O ATOM 0 H SER A 55 6.503 7.076 6.969 1.00 0.02 H new ATOM 0 HA SER A 55 3.527 7.521 7.014 1.00 0.02 H new ATOM 0 HB2 SER A 55 4.488 8.480 9.053 1.00 1.90 H new ATOM 0 HB3 SER A 55 5.813 9.198 8.159 1.00 1.90 H new ATOM 0 HG SER A 55 4.110 10.732 8.586 1.00 2.33 H new ATOM 863 N GLY A 56 3.767 9.402 5.190 1.00 0.02 N ATOM 864 CA GLY A 56 3.883 10.106 3.877 1.00 0.02 C ATOM 865 C GLY A 56 3.343 9.206 2.758 1.00 0.02 C ATOM 866 O GLY A 56 2.605 8.273 3.006 1.00 0.00 O ATOM 0 H GLY A 56 2.898 9.575 5.696 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.325 11.042 3.905 1.00 0.02 H new ATOM 0 HA3 GLY A 56 4.924 10.361 3.681 1.00 0.02 H new ATOM 870 N HIS A 57 3.682 9.485 1.528 1.00 0.02 N ATOM 871 CA HIS A 57 3.159 8.650 0.404 1.00 0.02 C ATOM 872 C HIS A 57 3.689 7.220 0.520 1.00 0.01 C ATOM 873 O HIS A 57 4.844 7.011 0.830 1.00 0.01 O ATOM 874 CB HIS A 57 3.606 9.254 -0.929 1.00 0.00 C ATOM 875 CG HIS A 57 3.415 10.745 -0.893 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.480 11.628 -0.978 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.290 11.524 -0.778 1.00 0.01 C ATOM 878 CE1 HIS A 57 3.979 12.875 -0.915 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.649 12.868 -0.793 1.00 0.01 N ATOM 0 H HIS A 57 4.296 10.251 1.252 1.00 0.02 H new ATOM 0 HA HIS A 57 2.070 8.630 0.452 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.653 9.015 -1.116 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.030 8.822 -1.747 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.464 11.378 -1.071 1.00 0.01 H new ATOM 0 HD2 HIS A 57 1.281 11.150 -0.689 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.579 13.772 -0.958 1.00 0.02 H new ATOM 887 N MET A 58 2.850 6.238 0.263 1.00 0.02 N ATOM 888 CA MET A 58 3.287 4.804 0.347 1.00 0.02 C ATOM 889 C MET A 58 3.135 4.138 -1.027 1.00 0.01 C ATOM 890 O MET A 58 2.154 4.330 -1.717 1.00 0.01 O ATOM 891 CB MET A 58 2.412 4.072 1.367 1.00 2.61 C ATOM 892 CG MET A 58 0.969 4.018 0.862 1.00 3.46 C ATOM 893 SD MET A 58 -0.129 3.545 2.220 1.00 4.50 S ATOM 894 CE MET A 58 0.006 1.752 2.010 1.00 5.01 C ATOM 0 H MET A 58 1.874 6.371 -0.003 1.00 0.02 H new ATOM 0 HA MET A 58 4.331 4.758 0.656 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.790 3.062 1.527 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.452 4.583 2.329 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.675 4.989 0.464 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.885 3.301 0.046 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.605 1.251 2.760 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.342 1.475 1.015 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.046 1.449 2.128 1.00 5.01 H new ATOM 904 N TYR A 59 4.110 3.358 -1.426 1.00 0.02 N ATOM 905 CA TYR A 59 4.054 2.665 -2.758 1.00 0.01 C ATOM 906 C TYR A 59 4.476 1.198 -2.602 1.00 0.01 C ATOM 907 O TYR A 59 5.405 0.874 -1.888 1.00 0.02 O ATOM 908 CB TYR A 59 5.013 3.355 -3.729 1.00 0.01 C ATOM 909 CG TYR A 59 4.462 4.708 -4.106 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.565 4.824 -5.175 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.848 5.846 -3.390 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.053 6.079 -5.527 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.336 7.101 -3.741 1.00 0.01 C ATOM 914 CZ TYR A 59 3.440 7.218 -4.809 1.00 0.01 C ATOM 915 OH TYR A 59 2.936 8.454 -5.156 1.00 0.01 O ATOM 0 H TYR A 59 4.952 3.168 -0.882 1.00 0.02 H new ATOM 0 HA TYR A 59 3.035 2.712 -3.141 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.995 3.466 -3.269 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.146 2.743 -4.621 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.268 3.945 -5.728 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.541 5.757 -2.566 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.361 6.169 -6.351 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.633 7.979 -3.187 1.00 0.01 H new ATOM 0 HH TYR A 59 2.204 8.691 -4.549 1.00 0.01 H new ATOM 925 N ILE A 60 3.788 0.311 -3.281 1.00 0.02 N ATOM 926 CA ILE A 60 4.120 -1.148 -3.212 1.00 0.01 C ATOM 927 C ILE A 60 5.030 -1.512 -4.391 1.00 0.01 C ATOM 928 O ILE A 60 4.749 -1.160 -5.520 1.00 0.01 O ATOM 929 CB ILE A 60 2.828 -1.967 -3.307 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.796 -1.434 -2.304 1.00 1.35 C ATOM 931 CG2 ILE A 60 3.125 -3.436 -3.006 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.412 -1.346 -0.903 1.00 1.72 C ATOM 0 H ILE A 60 3.000 0.539 -3.888 1.00 0.02 H new ATOM 0 HA ILE A 60 4.625 -1.365 -2.271 1.00 0.01 H new ATOM 0 HB ILE A 60 2.425 -1.879 -4.316 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.448 -0.450 -2.618 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.925 -2.089 -2.285 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.204 -4.015 -3.075 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.847 -3.817 -3.728 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.536 -3.526 -2.000 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.669 -0.966 -0.202 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.737 -2.337 -0.586 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.269 -0.672 -0.924 1.00 1.72 H new ATOM 944 N LEU A 61 6.126 -2.198 -4.142 1.00 0.01 N ATOM 945 CA LEU A 61 7.068 -2.566 -5.257 1.00 0.01 C ATOM 946 C LEU A 61 7.262 -4.106 -5.331 1.00 0.01 C ATOM 947 O LEU A 61 7.883 -4.680 -4.457 1.00 0.00 O ATOM 948 CB LEU A 61 8.441 -1.911 -4.984 1.00 0.01 C ATOM 949 CG LEU A 61 8.505 -0.493 -5.585 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.829 0.156 -5.171 1.00 0.01 C ATOM 951 CD2 LEU A 61 8.419 -0.548 -7.130 1.00 0.01 C ATOM 0 H LEU A 61 6.409 -2.519 -3.216 1.00 0.01 H new ATOM 0 HA LEU A 61 6.648 -2.216 -6.200 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.618 -1.863 -3.910 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.233 -2.527 -5.410 1.00 0.01 H new ATOM 0 HG LEU A 61 7.662 0.091 -5.214 1.00 0.02 H new ATOM 0 HD11 LEU A 61 9.888 1.161 -5.589 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.882 0.212 -4.084 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.660 -0.442 -5.545 1.00 0.01 H new ATOM 0 HD21 LEU A 61 8.466 0.464 -7.533 1.00 0.01 H new ATOM 0 HD22 LEU A 61 9.252 -1.133 -7.520 1.00 0.01 H new ATOM 0 HD23 LEU A 61 7.479 -1.013 -7.426 1.00 0.01 H new ATOM 963 N PRO A 62 6.786 -4.782 -6.373 1.00 0.02 N ATOM 964 CA PRO A 62 7.016 -6.250 -6.489 1.00 0.01 C ATOM 965 C PRO A 62 8.453 -6.522 -6.962 1.00 0.00 C ATOM 966 O PRO A 62 9.169 -5.614 -7.336 1.00 0.02 O ATOM 967 CB PRO A 62 5.981 -6.664 -7.550 1.00 1.47 C ATOM 968 CG PRO A 62 5.545 -5.393 -8.303 1.00 1.29 C ATOM 969 CD PRO A 62 5.989 -4.166 -7.482 1.00 0.82 C ATOM 0 HA PRO A 62 6.906 -6.798 -5.553 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.411 -7.389 -8.241 1.00 1.47 H new ATOM 0 HB3 PRO A 62 5.122 -7.143 -7.080 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.994 -5.368 -9.296 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.464 -5.386 -8.441 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.588 -3.476 -8.077 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.136 -3.602 -7.103 1.00 0.82 H new ATOM 977 N GLN A 63 8.887 -7.753 -6.945 1.00 0.02 N ATOM 978 CA GLN A 63 10.280 -8.058 -7.389 1.00 0.00 C ATOM 979 C GLN A 63 10.538 -7.458 -8.776 1.00 0.00 C ATOM 980 O GLN A 63 9.680 -7.482 -9.636 1.00 0.02 O ATOM 981 CB GLN A 63 10.465 -9.577 -7.453 1.00 1.27 C ATOM 982 CG GLN A 63 9.427 -10.178 -8.400 1.00 1.67 C ATOM 983 CD GLN A 63 9.527 -11.703 -8.365 1.00 2.43 C ATOM 984 OE1 GLN A 63 10.098 -12.306 -9.250 1.00 4.25 O ATOM 985 NE2 GLN A 63 8.993 -12.358 -7.369 1.00 3.04 N ATOM 0 H GLN A 63 8.340 -8.560 -6.644 1.00 0.02 H new ATOM 0 HA GLN A 63 10.984 -7.625 -6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.470 -9.817 -7.799 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.358 -10.009 -6.458 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.426 -9.862 -8.107 1.00 1.67 H new ATOM 0 HG3 GLN A 63 9.592 -9.815 -9.415 1.00 1.67 H new ATOM 0 HE21 GLN A 63 8.513 -11.852 -6.625 1.00 3.04 H new ATOM 0 HE22 GLN A 63 9.056 -13.375 -7.335 1.00 3.04 H new ATOM 994 N GLY A 64 11.713 -6.921 -9.010 1.00 0.02 N ATOM 995 CA GLY A 64 11.996 -6.330 -10.356 1.00 0.01 C ATOM 996 C GLY A 64 13.095 -5.265 -10.262 1.00 0.02 C ATOM 997 O GLY A 64 13.661 -5.022 -9.215 1.00 0.02 O ATOM 0 H GLY A 64 12.478 -6.867 -8.337 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.303 -7.116 -11.046 1.00 0.01 H new ATOM 0 HA3 GLY A 64 11.087 -5.886 -10.762 1.00 0.01 H new ATOM 1001 N GLU A 65 13.403 -4.631 -11.368 1.00 0.02 N ATOM 1002 CA GLU A 65 14.469 -3.575 -11.386 1.00 0.02 C ATOM 1003 C GLU A 65 13.877 -2.246 -11.861 1.00 0.02 C ATOM 1004 O GLU A 65 13.200 -2.177 -12.868 1.00 0.02 O ATOM 1005 CB GLU A 65 15.573 -4.005 -12.354 1.00 0.77 C ATOM 1006 CG GLU A 65 16.658 -2.928 -12.403 1.00 0.49 C ATOM 1007 CD GLU A 65 17.892 -3.483 -13.117 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.803 -4.580 -13.643 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.904 -2.801 -13.126 1.00 0.96 O ATOM 0 H GLU A 65 12.957 -4.801 -12.270 1.00 0.02 H new ATOM 0 HA GLU A 65 14.874 -3.449 -10.382 1.00 0.02 H new ATOM 0 HB2 GLU A 65 16.002 -4.954 -12.034 1.00 0.77 H new ATOM 0 HB3 GLU A 65 15.157 -4.163 -13.349 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.287 -2.046 -12.926 1.00 0.49 H new ATOM 0 HG3 GLU A 65 16.919 -2.613 -11.393 1.00 0.49 H new ATOM 1016 N TYR A 66 14.157 -1.183 -11.142 1.00 0.02 N ATOM 1017 CA TYR A 66 13.656 0.171 -11.525 1.00 0.02 C ATOM 1018 C TYR A 66 14.880 1.095 -11.696 1.00 0.02 C ATOM 1019 O TYR A 66 15.408 1.587 -10.716 1.00 0.02 O ATOM 1020 CB TYR A 66 12.774 0.699 -10.392 1.00 0.01 C ATOM 1021 CG TYR A 66 11.569 -0.201 -10.249 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.636 -1.334 -9.429 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.389 0.092 -10.942 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.523 -2.173 -9.302 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.275 -0.749 -10.816 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.341 -1.880 -9.996 1.00 0.02 C ATOM 1027 OH TYR A 66 8.245 -2.709 -9.873 1.00 0.01 O ATOM 0 H TYR A 66 14.721 -1.201 -10.292 1.00 0.02 H new ATOM 0 HA TYR A 66 13.080 0.132 -12.450 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.336 0.727 -9.459 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.458 1.720 -10.605 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.547 -1.561 -8.894 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.337 0.966 -11.574 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.575 -3.047 -8.669 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.365 -0.524 -11.352 1.00 0.02 H new ATOM 0 HH TYR A 66 7.509 -2.361 -10.419 1.00 0.01 H new ATOM 1037 N PRO A 67 15.361 1.311 -12.913 1.00 0.01 N ATOM 1038 CA PRO A 67 16.567 2.165 -13.117 1.00 0.02 C ATOM 1039 C PRO A 67 16.314 3.660 -12.869 1.00 0.02 C ATOM 1040 O PRO A 67 17.227 4.459 -12.946 1.00 0.02 O ATOM 1041 CB PRO A 67 16.934 1.891 -14.591 1.00 0.02 C ATOM 1042 CG PRO A 67 15.770 1.119 -15.246 1.00 0.02 C ATOM 1043 CD PRO A 67 14.759 0.730 -14.150 1.00 0.01 C ATOM 0 HA PRO A 67 17.360 1.924 -12.409 1.00 0.02 H new ATOM 0 HB2 PRO A 67 17.112 2.828 -15.118 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.855 1.311 -14.651 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.287 1.735 -16.005 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.143 0.227 -15.750 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.770 1.142 -14.349 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.644 -0.351 -14.073 1.00 0.01 H new ATOM 1051 N GLU A 68 15.110 4.052 -12.559 1.00 0.01 N ATOM 1052 CA GLU A 68 14.853 5.497 -12.294 1.00 0.01 C ATOM 1053 C GLU A 68 13.594 5.607 -11.436 1.00 0.03 C ATOM 1054 O GLU A 68 12.748 4.736 -11.423 1.00 0.02 O ATOM 1055 CB GLU A 68 14.626 6.244 -13.614 1.00 0.69 C ATOM 1056 CG GLU A 68 15.936 6.327 -14.402 1.00 1.09 C ATOM 1057 CD GLU A 68 15.794 7.363 -15.519 1.00 1.35 C ATOM 1058 OE1 GLU A 68 15.152 8.373 -15.284 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.330 7.127 -16.589 1.00 2.02 O ATOM 0 H GLU A 68 14.298 3.441 -12.478 1.00 0.01 H new ATOM 0 HA GLU A 68 15.710 5.936 -11.783 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.868 5.731 -14.206 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.249 7.247 -13.413 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.755 6.602 -13.738 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.181 5.352 -14.824 1.00 1.09 H new ATOM 1066 N TYR A 69 13.493 6.665 -10.682 1.00 0.02 N ATOM 1067 CA TYR A 69 12.331 6.824 -9.772 1.00 0.02 C ATOM 1068 C TYR A 69 11.007 6.838 -10.539 1.00 0.01 C ATOM 1069 O TYR A 69 10.025 6.275 -10.105 1.00 0.01 O ATOM 1070 CB TYR A 69 12.498 8.101 -8.943 1.00 0.02 C ATOM 1071 CG TYR A 69 12.441 9.313 -9.843 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.569 9.688 -10.583 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.263 10.065 -9.933 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.519 10.813 -11.412 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.215 11.193 -10.763 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.342 11.566 -11.503 1.00 0.02 C ATOM 1077 OH TYR A 69 12.293 12.676 -12.318 1.00 0.01 O ATOM 0 H TYR A 69 14.169 7.428 -10.658 1.00 0.02 H new ATOM 0 HA TYR A 69 12.300 5.964 -9.103 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.713 8.160 -8.189 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.449 8.077 -8.411 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.478 9.108 -10.513 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.392 9.776 -9.363 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.389 11.101 -11.983 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.308 11.775 -10.831 1.00 0.02 H new ATOM 0 HH TYR A 69 11.403 13.082 -12.265 1.00 0.01 H new ATOM 1087 N GLN A 70 10.969 7.477 -11.677 1.00 0.01 N ATOM 1088 CA GLN A 70 9.708 7.521 -12.472 1.00 0.02 C ATOM 1089 C GLN A 70 9.262 6.101 -12.844 1.00 0.01 C ATOM 1090 O GLN A 70 8.100 5.847 -13.094 1.00 0.02 O ATOM 1091 CB GLN A 70 9.948 8.320 -13.755 1.00 0.01 C ATOM 1092 CG GLN A 70 10.565 9.675 -13.408 1.00 0.01 C ATOM 1093 CD GLN A 70 10.842 10.453 -14.696 1.00 0.02 C ATOM 1094 OE1 GLN A 70 11.916 10.359 -15.257 1.00 0.01 O ATOM 1095 NE2 GLN A 70 9.914 11.224 -15.192 1.00 0.02 N ATOM 0 H GLN A 70 11.759 7.972 -12.091 1.00 0.01 H new ATOM 0 HA GLN A 70 8.930 7.994 -11.873 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.611 7.767 -14.421 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.008 8.463 -14.288 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.889 10.241 -12.767 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.490 9.533 -12.850 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.012 11.304 -14.722 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.090 11.747 -16.050 1.00 0.02 H new ATOM 1104 N ARG A 71 10.187 5.173 -12.877 1.00 0.01 N ATOM 1105 CA ARG A 71 9.820 3.771 -13.228 1.00 0.02 C ATOM 1106 C ARG A 71 9.020 3.164 -12.075 1.00 0.01 C ATOM 1107 O ARG A 71 8.325 2.180 -12.224 1.00 0.02 O ATOM 1108 CB ARG A 71 11.087 2.943 -13.472 1.00 0.34 C ATOM 1109 CG ARG A 71 10.732 1.622 -14.183 1.00 0.72 C ATOM 1110 CD ARG A 71 10.671 1.833 -15.702 1.00 1.04 C ATOM 1111 NE ARG A 71 10.454 0.518 -16.372 1.00 1.67 N ATOM 1112 CZ ARG A 71 10.084 0.474 -17.624 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.909 1.582 -18.291 1.00 2.54 N ATOM 1114 NH2 ARG A 71 9.891 -0.678 -18.206 1.00 3.42 N ATOM 0 H ARG A 71 11.175 5.327 -12.677 1.00 0.01 H new ATOM 0 HA ARG A 71 9.219 3.768 -14.137 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.791 3.513 -14.078 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.581 2.732 -12.523 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.476 0.862 -13.944 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.772 1.253 -13.822 1.00 0.72 H new ATOM 0 HD2 ARG A 71 9.863 2.520 -15.953 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.597 2.286 -16.056 1.00 1.04 H new ATOM 0 HE ARG A 71 10.595 -0.348 -15.852 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.061 2.481 -17.835 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.620 1.549 -19.269 1.00 2.54 H new ATOM 0 HH21 ARG A 71 10.029 -1.543 -17.683 1.00 3.42 H new ATOM 0 HH22 ARG A 71 9.602 -0.713 -19.184 1.00 3.42 H new ATOM 1128 N TRP A 72 9.123 3.767 -10.921 1.00 0.02 N ATOM 1129 CA TRP A 72 8.393 3.280 -9.714 1.00 0.01 C ATOM 1130 C TRP A 72 7.259 4.276 -9.431 1.00 0.01 C ATOM 1131 O TRP A 72 6.605 4.234 -8.410 1.00 0.02 O ATOM 1132 CB TRP A 72 9.417 3.204 -8.555 1.00 0.02 C ATOM 1133 CG TRP A 72 8.800 3.509 -7.223 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.827 2.784 -6.626 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.120 4.597 -6.310 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.524 3.365 -5.408 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.294 4.486 -5.169 1.00 0.02 C ATOM 1138 CE3 TRP A 72 10.036 5.663 -6.364 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.372 5.400 -4.118 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.120 6.583 -5.307 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.289 6.452 -4.187 1.00 0.02 C ATOM 0 H TRP A 72 9.696 4.596 -10.761 1.00 0.02 H new ATOM 0 HA TRP A 72 7.953 2.292 -9.846 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.857 2.207 -8.528 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.229 3.906 -8.745 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.363 1.898 -7.033 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.817 3.009 -4.764 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.679 5.774 -7.224 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.728 5.295 -3.257 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.829 7.396 -5.358 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.357 7.164 -3.377 1.00 0.02 H new ATOM 1152 N MET A 73 7.030 5.170 -10.353 1.00 0.02 N ATOM 1153 CA MET A 73 5.951 6.186 -10.186 1.00 0.02 C ATOM 1154 C MET A 73 6.221 7.060 -8.953 1.00 0.01 C ATOM 1155 O MET A 73 5.326 7.659 -8.390 1.00 0.02 O ATOM 1156 CB MET A 73 4.601 5.482 -10.029 1.00 0.02 C ATOM 1157 CG MET A 73 4.502 4.328 -11.031 1.00 0.01 C ATOM 1158 SD MET A 73 2.778 3.794 -11.170 1.00 0.01 S ATOM 1159 CE MET A 73 3.060 2.409 -12.300 1.00 0.01 C ATOM 0 H MET A 73 7.551 5.241 -11.227 1.00 0.02 H new ATOM 0 HA MET A 73 5.932 6.823 -11.070 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.493 5.104 -9.012 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.789 6.190 -10.194 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.875 4.645 -12.005 1.00 0.01 H new ATOM 0 HG3 MET A 73 5.126 3.496 -10.706 1.00 0.01 H new ATOM 0 HE1 MET A 73 2.110 1.924 -12.526 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.508 2.778 -13.223 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.732 1.689 -11.833 1.00 0.01 H new ATOM 1169 N GLY A 74 7.458 7.128 -8.534 1.00 0.02 N ATOM 1170 CA GLY A 74 7.799 7.954 -7.344 1.00 0.02 C ATOM 1171 C GLY A 74 7.420 9.409 -7.606 1.00 0.01 C ATOM 1172 O GLY A 74 7.571 9.911 -8.701 1.00 0.01 O ATOM 0 H GLY A 74 8.246 6.646 -8.967 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.270 7.582 -6.467 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.865 7.878 -7.129 1.00 0.02 H new ATOM 1176 N LEU A 75 6.970 10.106 -6.599 1.00 0.02 N ATOM 1177 CA LEU A 75 6.634 11.546 -6.790 1.00 0.02 C ATOM 1178 C LEU A 75 7.947 12.340 -6.756 1.00 0.01 C ATOM 1179 O LEU A 75 8.096 13.349 -7.417 1.00 0.02 O ATOM 1180 CB LEU A 75 5.692 12.017 -5.677 1.00 0.55 C ATOM 1181 CG LEU A 75 4.574 10.992 -5.476 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.649 11.468 -4.355 1.00 0.98 C ATOM 1183 CD2 LEU A 75 3.771 10.842 -6.773 1.00 0.42 C ATOM 0 H LEU A 75 6.821 9.744 -5.657 1.00 0.02 H new ATOM 0 HA LEU A 75 6.127 11.699 -7.743 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.248 12.149 -4.749 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.267 12.987 -5.934 1.00 0.55 H new ATOM 0 HG LEU A 75 5.008 10.028 -5.209 1.00 0.58 H new ATOM 0 HD11 LEU A 75 2.851 10.740 -4.208 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.219 11.572 -3.432 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.217 12.432 -4.625 1.00 0.98 H new ATOM 0 HD21 LEU A 75 2.976 10.111 -6.626 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.335 11.803 -7.044 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.431 10.505 -7.572 1.00 0.42 H new ATOM 1195 N ASN A 76 8.912 11.862 -6.009 1.00 0.01 N ATOM 1196 CA ASN A 76 10.241 12.520 -5.921 1.00 0.02 C ATOM 1197 C ASN A 76 11.230 11.437 -5.477 1.00 0.02 C ATOM 1198 O ASN A 76 10.884 10.273 -5.431 1.00 0.02 O ATOM 1199 CB ASN A 76 10.198 13.657 -4.898 1.00 0.02 C ATOM 1200 CG ASN A 76 9.654 13.127 -3.570 1.00 0.02 C ATOM 1201 OD1 ASN A 76 8.854 12.213 -3.550 1.00 0.01 O ATOM 1202 ND2 ASN A 76 10.057 13.665 -2.451 1.00 0.02 N ATOM 0 H ASN A 76 8.825 11.018 -5.443 1.00 0.01 H new ATOM 0 HA ASN A 76 10.536 12.952 -6.877 1.00 0.02 H new ATOM 0 HB2 ASN A 76 11.196 14.070 -4.755 1.00 0.02 H new ATOM 0 HB3 ASN A 76 9.567 14.467 -5.265 1.00 0.02 H new ATOM 0 HD21 ASN A 76 9.700 13.318 -1.561 1.00 0.02 H new ATOM 0 HD22 ASN A 76 10.729 14.432 -2.467 1.00 0.02 H new ATOM 1209 N ASP A 77 12.452 11.783 -5.160 1.00 0.01 N ATOM 1210 CA ASP A 77 13.439 10.735 -4.737 1.00 0.01 C ATOM 1211 C ASP A 77 13.545 10.680 -3.211 1.00 0.01 C ATOM 1212 O ASP A 77 14.584 10.346 -2.674 1.00 0.01 O ATOM 1213 CB ASP A 77 14.813 11.076 -5.315 1.00 0.01 C ATOM 1214 CG ASP A 77 15.166 12.524 -4.973 1.00 0.01 C ATOM 1215 OD1 ASP A 77 15.006 12.896 -3.822 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.592 13.236 -5.867 1.00 0.01 O ATOM 0 H ASP A 77 12.810 12.738 -5.174 1.00 0.01 H new ATOM 0 HA ASP A 77 13.100 9.767 -5.106 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.567 10.401 -4.910 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.809 10.937 -6.396 1.00 0.01 H new ATOM 1221 N ARG A 78 12.499 11.021 -2.497 1.00 0.01 N ATOM 1222 CA ARG A 78 12.571 11.002 -0.999 1.00 0.01 C ATOM 1223 C ARG A 78 11.998 9.693 -0.437 1.00 0.02 C ATOM 1224 O ARG A 78 10.849 9.361 -0.654 1.00 0.02 O ATOM 1225 CB ARG A 78 11.790 12.197 -0.444 1.00 0.43 C ATOM 1226 CG ARG A 78 12.161 12.414 1.027 1.00 0.80 C ATOM 1227 CD ARG A 78 11.366 13.593 1.591 1.00 1.00 C ATOM 1228 NE ARG A 78 11.427 14.755 0.641 1.00 1.30 N ATOM 1229 CZ ARG A 78 12.566 15.276 0.263 1.00 2.30 C ATOM 1230 NH1 ARG A 78 13.682 14.919 0.835 1.00 2.72 N ATOM 1231 NH2 ARG A 78 12.580 16.202 -0.657 1.00 3.20 N ATOM 0 H ARG A 78 11.601 11.311 -2.884 1.00 0.01 H new ATOM 0 HA ARG A 78 13.616 11.069 -0.696 1.00 0.01 H new ATOM 0 HB2 ARG A 78 12.016 13.093 -1.023 1.00 0.43 H new ATOM 0 HB3 ARG A 78 10.719 12.019 -0.537 1.00 0.43 H new ATOM 0 HG2 ARG A 78 11.950 11.512 1.602 1.00 0.80 H new ATOM 0 HG3 ARG A 78 13.230 12.607 1.118 1.00 0.80 H new ATOM 0 HD2 ARG A 78 10.329 13.299 1.753 1.00 1.00 H new ATOM 0 HD3 ARG A 78 11.770 13.884 2.561 1.00 1.00 H new ATOM 0 HE ARG A 78 10.557 15.148 0.281 1.00 1.30 H new ATOM 0 HH11 ARG A 78 13.672 14.227 1.585 1.00 2.72 H new ATOM 0 HH12 ARG A 78 14.565 15.331 0.533 1.00 2.72 H new ATOM 0 HH21 ARG A 78 11.706 16.516 -1.078 1.00 3.20 H new ATOM 0 HH22 ARG A 78 13.465 16.611 -0.955 1.00 3.20 H new ATOM 1245 N LEU A 79 12.788 8.967 0.310 1.00 0.01 N ATOM 1246 CA LEU A 79 12.313 7.689 0.932 1.00 0.01 C ATOM 1247 C LEU A 79 12.928 7.598 2.329 1.00 0.01 C ATOM 1248 O LEU A 79 14.134 7.618 2.476 1.00 0.02 O ATOM 1249 CB LEU A 79 12.785 6.498 0.093 1.00 1.04 C ATOM 1250 CG LEU A 79 12.004 6.446 -1.229 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.580 5.331 -2.109 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.507 6.176 -0.960 1.00 2.61 C ATOM 0 H LEU A 79 13.757 9.207 0.520 1.00 0.01 H new ATOM 0 HA LEU A 79 11.224 7.673 0.984 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.853 6.585 -0.109 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.640 5.571 0.648 1.00 1.04 H new ATOM 0 HG LEU A 79 12.098 7.405 -1.738 1.00 1.85 H new ATOM 0 HD11 LEU A 79 12.030 5.289 -3.049 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.631 5.535 -2.312 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.489 4.376 -1.592 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.968 6.142 -1.907 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.396 5.222 -0.445 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.099 6.973 -0.338 1.00 2.61 H new ATOM 1264 N GLY A 80 12.119 7.547 3.362 1.00 0.02 N ATOM 1265 CA GLY A 80 12.668 7.513 4.759 1.00 0.02 C ATOM 1266 C GLY A 80 12.496 6.143 5.426 1.00 0.02 C ATOM 1267 O GLY A 80 13.164 5.852 6.397 1.00 0.01 O ATOM 0 H GLY A 80 11.101 7.527 3.299 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.727 7.772 4.736 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.168 8.272 5.361 1.00 0.02 H new ATOM 1271 N SER A 81 11.626 5.294 4.940 1.00 0.01 N ATOM 1272 CA SER A 81 11.461 3.960 5.600 1.00 0.01 C ATOM 1273 C SER A 81 10.888 2.945 4.615 1.00 0.02 C ATOM 1274 O SER A 81 10.246 3.290 3.641 1.00 0.01 O ATOM 1275 CB SER A 81 10.511 4.097 6.787 1.00 0.01 C ATOM 1276 OG SER A 81 9.255 4.584 6.331 1.00 0.01 O ATOM 0 H SER A 81 11.031 5.461 4.128 1.00 0.01 H new ATOM 0 HA SER A 81 12.437 3.613 5.939 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.383 3.132 7.278 1.00 0.01 H new ATOM 0 HB3 SER A 81 10.931 4.778 7.527 1.00 0.01 H new ATOM 0 HG SER A 81 9.257 5.564 6.351 1.00 0.01 H new ATOM 1282 N CYS A 82 11.119 1.682 4.873 1.00 0.02 N ATOM 1283 CA CYS A 82 10.595 0.614 3.967 1.00 0.01 C ATOM 1284 C CYS A 82 10.211 -0.623 4.788 1.00 0.01 C ATOM 1285 O CYS A 82 10.814 -0.922 5.801 1.00 0.01 O ATOM 1286 CB CYS A 82 11.669 0.236 2.945 1.00 0.01 C ATOM 1287 SG CYS A 82 12.352 1.738 2.203 1.00 0.02 S ATOM 0 H CYS A 82 11.650 1.343 5.675 1.00 0.02 H new ATOM 0 HA CYS A 82 9.713 0.987 3.447 1.00 0.01 H new ATOM 0 HB2 CYS A 82 12.461 -0.336 3.429 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.242 -0.402 2.172 1.00 0.01 H new ATOM 0 HG CYS A 82 11.527 2.726 2.386 1.00 0.02 H new ATOM 1293 N ARG A 83 9.214 -1.353 4.351 1.00 0.01 N ATOM 1294 CA ARG A 83 8.783 -2.583 5.091 1.00 0.01 C ATOM 1295 C ARG A 83 8.501 -3.702 4.089 1.00 0.01 C ATOM 1296 O ARG A 83 7.976 -3.478 3.018 1.00 0.01 O ATOM 1297 CB ARG A 83 7.487 -2.298 5.855 1.00 0.01 C ATOM 1298 CG ARG A 83 7.725 -1.179 6.868 1.00 0.01 C ATOM 1299 CD ARG A 83 6.520 -1.072 7.803 1.00 0.01 C ATOM 1300 NE ARG A 83 6.362 -2.346 8.559 1.00 0.01 N ATOM 1301 CZ ARG A 83 5.596 -2.386 9.615 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.970 -1.309 10.006 1.00 0.01 N ATOM 1303 NH2 ARG A 83 5.457 -3.500 10.280 1.00 0.01 N ATOM 0 H ARG A 83 8.676 -1.149 3.508 1.00 0.01 H new ATOM 0 HA ARG A 83 9.573 -2.875 5.783 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.698 -2.011 5.159 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.149 -3.199 6.366 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.628 -1.381 7.444 1.00 0.01 H new ATOM 0 HG3 ARG A 83 7.882 -0.233 6.350 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.656 -0.241 8.495 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.618 -0.864 7.228 1.00 0.01 H new ATOM 0 HE ARG A 83 6.852 -3.186 8.252 1.00 0.01 H new ATOM 0 HH11 ARG A 83 5.080 -0.438 9.486 1.00 0.01 H new ATOM 0 HH12 ARG A 83 4.371 -1.338 10.831 1.00 0.01 H new ATOM 0 HH21 ARG A 83 5.947 -4.341 9.975 1.00 0.01 H new ATOM 0 HH22 ARG A 83 4.858 -3.530 11.105 1.00 0.01 H new ATOM 1317 N ALA A 84 8.853 -4.913 4.431 1.00 0.01 N ATOM 1318 CA ALA A 84 8.615 -6.052 3.503 1.00 0.01 C ATOM 1319 C ALA A 84 7.153 -6.492 3.592 1.00 0.01 C ATOM 1320 O ALA A 84 6.607 -6.686 4.661 1.00 0.00 O ATOM 1321 CB ALA A 84 9.510 -7.229 3.896 1.00 0.43 C ATOM 0 H ALA A 84 9.296 -5.161 5.316 1.00 0.01 H new ATOM 0 HA ALA A 84 8.844 -5.736 2.485 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.335 -8.062 3.216 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.556 -6.926 3.837 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.278 -7.538 4.915 1.00 0.43 H new ATOM 1327 N VAL A 85 6.529 -6.680 2.462 1.00 0.01 N ATOM 1328 CA VAL A 85 5.116 -7.143 2.442 1.00 0.01 C ATOM 1329 C VAL A 85 5.117 -8.670 2.422 1.00 0.01 C ATOM 1330 O VAL A 85 5.704 -9.282 1.551 1.00 0.01 O ATOM 1331 CB VAL A 85 4.414 -6.607 1.193 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.918 -6.915 1.269 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.611 -5.093 1.109 1.00 1.12 C ATOM 0 H VAL A 85 6.944 -6.530 1.542 1.00 0.01 H new ATOM 0 HA VAL A 85 4.586 -6.778 3.322 1.00 0.01 H new ATOM 0 HB VAL A 85 4.839 -7.084 0.310 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.422 -6.531 0.377 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.771 -7.993 1.331 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.493 -6.440 2.153 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.111 -4.710 0.219 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.187 -4.621 1.995 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.676 -4.867 1.053 1.00 1.12 H new ATOM 1343 N HIS A 86 4.471 -9.300 3.364 1.00 0.01 N ATOM 1344 CA HIS A 86 4.444 -10.791 3.384 1.00 0.01 C ATOM 1345 C HIS A 86 3.177 -11.273 2.685 1.00 0.01 C ATOM 1346 O HIS A 86 2.093 -10.791 2.946 1.00 0.00 O ATOM 1347 CB HIS A 86 4.433 -11.281 4.834 1.00 0.21 C ATOM 1348 CG HIS A 86 5.620 -10.715 5.566 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.738 -11.477 5.865 1.00 1.26 N ATOM 1350 CD2 HIS A 86 5.876 -9.462 6.066 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.607 -10.682 6.517 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.131 -9.443 6.666 1.00 1.71 N ATOM 0 H HIS A 86 3.960 -8.847 4.122 1.00 0.01 H new ATOM 0 HA HIS A 86 5.324 -11.181 2.873 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.510 -10.974 5.325 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.462 -12.370 4.861 1.00 0.21 H new ATOM 0 HD2 HIS A 86 5.204 -8.619 6.003 1.00 1.20 H new ATOM 0 HE1 HIS A 86 8.572 -11.007 6.876 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.589 -8.653 7.121 1.00 1.71 H new ATOM 1360 N LEU A 87 3.296 -12.233 1.810 1.00 0.01 N ATOM 1361 CA LEU A 87 2.093 -12.760 1.104 1.00 0.01 C ATOM 1362 C LEU A 87 1.598 -13.980 1.877 1.00 0.01 C ATOM 1363 O LEU A 87 2.367 -14.842 2.254 1.00 0.01 O ATOM 1364 CB LEU A 87 2.494 -13.165 -0.321 1.00 0.67 C ATOM 1365 CG LEU A 87 3.464 -12.131 -0.896 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.741 -12.453 -2.365 1.00 1.63 C ATOM 1367 CD2 LEU A 87 2.846 -10.734 -0.789 1.00 1.34 C ATOM 0 H LEU A 87 4.177 -12.677 1.552 1.00 0.01 H new ATOM 0 HA LEU A 87 1.305 -12.009 1.050 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.960 -14.150 -0.312 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.608 -13.237 -0.952 1.00 0.67 H new ATOM 0 HG LEU A 87 4.398 -12.159 -0.335 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.432 -11.716 -2.775 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.182 -13.447 -2.443 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.807 -12.426 -2.926 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.538 -9.998 -1.199 1.00 1.34 H new ATOM 0 HD22 LEU A 87 1.912 -10.706 -1.350 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.648 -10.503 0.258 1.00 1.34 H new ATOM 1379 N SER A 88 0.314 -14.060 2.111 1.00 0.01 N ATOM 1380 CA SER A 88 -0.264 -15.218 2.857 1.00 0.01 C ATOM 1381 C SER A 88 -1.018 -16.134 1.896 1.00 0.01 C ATOM 1382 O SER A 88 -1.900 -15.682 1.195 1.00 0.01 O ATOM 1383 CB SER A 88 -1.253 -14.719 3.909 1.00 0.81 C ATOM 1384 OG SER A 88 -0.556 -13.958 4.887 1.00 1.08 O ATOM 0 H SER A 88 -0.368 -13.363 1.813 1.00 0.01 H new ATOM 0 HA SER A 88 0.552 -15.761 3.333 1.00 0.01 H new ATOM 0 HB2 SER A 88 -2.024 -14.109 3.439 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.757 -15.563 4.380 1.00 0.81 H new ATOM 0 HG SER A 88 -1.189 -13.635 5.562 1.00 1.08 H new ATOM 1390 N SER A 89 -0.773 -17.420 1.917 1.00 0.01 N ATOM 1391 CA SER A 89 -1.578 -18.362 1.081 1.00 0.01 C ATOM 1392 C SER A 89 -2.292 -19.212 2.125 1.00 0.01 C ATOM 1393 O SER A 89 -1.706 -20.116 2.687 1.00 0.01 O ATOM 1394 CB SER A 89 -0.650 -19.225 0.222 1.00 0.43 C ATOM 1395 OG SER A 89 0.278 -19.894 1.064 1.00 1.26 O ATOM 0 H SER A 89 -0.046 -17.860 2.481 1.00 0.01 H new ATOM 0 HA SER A 89 -2.261 -17.866 0.391 1.00 0.01 H new ATOM 0 HB2 SER A 89 -1.232 -19.950 -0.347 1.00 0.43 H new ATOM 0 HB3 SER A 89 -0.121 -18.603 -0.501 1.00 0.43 H new ATOM 0 HG SER A 89 -0.189 -20.249 1.849 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.541 -18.937 2.405 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.281 -19.747 3.443 1.00 0.00 C ATOM 1403 C GLY A 90 -5.502 -20.432 2.806 1.00 0.00 C ATOM 1404 O GLY A 90 -5.609 -21.642 2.790 1.00 0.01 O ATOM 0 H GLY A 90 -4.085 -18.193 1.967 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.616 -20.497 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.602 -19.100 4.260 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.424 -19.649 2.278 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.644 -20.229 1.634 1.00 0.00 C ATOM 1410 C GLY A 91 -7.821 -19.619 0.241 1.00 0.00 C ATOM 1411 O GLY A 91 -7.061 -19.904 -0.665 1.00 0.01 O ATOM 0 H GLY A 91 -6.378 -18.630 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.549 -21.312 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.523 -20.027 2.246 1.00 0.00 H new ATOM 1415 N GLN A 92 -8.801 -18.760 0.075 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.017 -18.093 -1.255 1.00 2.31 C ATOM 1417 C GLN A 92 -8.908 -16.573 -1.081 1.00 1.91 C ATOM 1418 O GLN A 92 -8.111 -16.085 -0.304 1.00 2.31 O ATOM 1419 CB GLN A 92 -10.393 -18.478 -1.822 1.00 2.11 C ATOM 1420 CG GLN A 92 -10.398 -18.316 -3.348 1.00 2.86 C ATOM 1421 CD GLN A 92 -11.841 -18.294 -3.860 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -12.582 -19.235 -3.659 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -12.273 -17.252 -4.517 1.00 4.43 N ATOM 0 H GLN A 92 -9.462 -18.491 0.803 1.00 1.80 H new ATOM 0 HA GLN A 92 -8.255 -18.426 -1.960 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.629 -19.509 -1.557 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.166 -17.850 -1.379 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -9.889 -17.394 -3.627 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -9.850 -19.136 -3.812 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -11.651 -16.462 -4.686 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -13.233 -17.228 -4.861 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.744 -15.828 -1.761 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.757 -14.334 -1.614 1.00 0.01 C ATOM 1434 C ALA A 93 -11.186 -13.898 -1.282 1.00 0.01 C ATOM 1435 O ALA A 93 -12.089 -14.158 -2.052 1.00 0.01 O ATOM 1436 CB ALA A 93 -9.252 -13.677 -2.906 1.00 2.99 C ATOM 0 H ALA A 93 -10.429 -16.195 -2.422 1.00 0.01 H new ATOM 0 HA ALA A 93 -9.093 -14.020 -0.809 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -9.264 -12.593 -2.792 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -8.234 -14.009 -3.109 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -9.899 -13.962 -3.736 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.434 -13.262 -0.150 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.870 -12.868 0.151 1.00 0.01 C ATOM 1444 C LYS A 94 -12.990 -11.521 0.879 1.00 0.01 C ATOM 1445 O LYS A 94 -12.465 -11.326 1.980 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.548 -13.959 0.999 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.068 -13.911 0.804 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.724 -15.012 1.642 1.00 4.11 C ATOM 1449 CE LYS A 94 -17.245 -14.903 1.525 1.00 5.23 C ATOM 1450 NZ LYS A 94 -17.885 -15.996 2.308 1.00 6.36 N ATOM 0 H LYS A 94 -10.742 -13.006 0.554 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.367 -12.762 -0.813 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.168 -14.940 0.714 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.304 -13.816 2.052 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.453 -12.935 1.100 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.315 -14.045 -0.249 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.391 -15.992 1.299 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.421 -14.919 2.685 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -17.580 -13.933 1.894 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -17.545 -14.967 0.479 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -18.919 -15.921 2.228 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -17.575 -16.917 1.937 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.609 -15.915 3.307 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.722 -10.595 0.268 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.950 -9.249 0.881 1.00 0.01 C ATOM 1466 C ILE A 95 -15.456 -8.911 0.848 1.00 0.01 C ATOM 1467 O ILE A 95 -16.129 -9.106 -0.148 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.160 -8.205 0.077 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.673 -6.789 0.388 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.326 -8.488 -1.415 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.650 -5.754 -0.086 1.00 1.09 C ATOM 0 H ILE A 95 -14.170 -10.728 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.614 -9.248 1.918 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.107 -8.267 0.353 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.630 -6.622 -0.107 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.845 -6.681 1.459 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.767 -7.750 -1.990 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.948 -9.485 -1.640 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.382 -8.431 -1.681 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.017 -4.752 0.136 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.703 -5.916 0.429 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.501 -5.856 -1.161 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.968 -8.350 1.923 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.410 -7.922 1.973 1.00 0.01 C ATOM 1485 C GLN A 96 -17.434 -6.432 2.327 1.00 0.01 C ATOM 1486 O GLN A 96 -16.672 -5.995 3.165 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.187 -8.749 3.013 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.278 -9.115 4.179 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.125 -9.667 5.326 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -18.874 -8.940 5.948 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -18.039 -10.931 5.634 1.00 2.05 N ATOM 0 H GLN A 96 -15.442 -8.168 2.778 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.893 -8.089 1.010 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.043 -8.180 3.375 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.579 -9.654 2.549 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.544 -9.857 3.864 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.722 -8.238 4.511 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -17.410 -11.541 5.112 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -18.600 -11.309 6.397 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.280 -5.636 1.708 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.312 -4.165 2.024 1.00 0.01 C ATOM 1502 C VAL A 97 -19.726 -3.730 2.436 1.00 0.01 C ATOM 1503 O VAL A 97 -20.717 -4.260 1.965 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.879 -3.390 0.777 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.524 -3.917 0.296 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.919 -3.582 -0.328 1.00 1.03 C ATOM 0 H VAL A 97 -18.948 -5.939 1.000 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.636 -3.959 2.854 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.794 -2.330 1.018 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.214 -3.366 -0.592 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.782 -3.784 1.083 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.611 -4.976 0.054 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.612 -3.031 -1.217 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -19.002 -4.642 -0.569 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.885 -3.211 0.013 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.813 -2.775 3.342 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.149 -2.297 3.839 1.00 0.01 C ATOM 1518 C PHE A 98 -21.352 -0.801 3.550 1.00 0.01 C ATOM 1519 O PHE A 98 -20.437 0.010 3.631 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.230 -2.525 5.348 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.180 -4.006 5.639 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -19.968 -4.697 5.529 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.341 -4.687 6.024 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -19.916 -6.068 5.802 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.290 -6.059 6.298 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.077 -6.749 6.187 1.00 0.69 C ATOM 0 H PHE A 98 -19.010 -2.305 3.760 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.927 -2.857 3.320 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.405 -2.018 5.848 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -22.152 -2.097 5.742 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.072 -4.171 5.233 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.276 -4.154 6.110 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -18.981 -6.601 5.716 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.186 -6.585 6.595 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.037 -7.807 6.399 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.561 -0.449 3.194 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.881 0.969 2.867 1.00 0.01 C ATOM 1538 C GLU A 99 -22.834 1.855 4.118 1.00 0.01 C ATOM 1539 O GLU A 99 -22.486 3.016 4.036 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.279 1.043 2.251 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.566 2.477 1.803 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.811 2.495 0.913 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.832 1.986 1.346 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -25.721 3.018 -0.185 1.00 0.02 O ATOM 0 H GLU A 99 -23.348 -1.093 3.116 1.00 0.01 H new ATOM 0 HA GLU A 99 -22.134 1.333 2.161 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.349 0.365 1.401 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -25.025 0.722 2.978 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.718 3.117 2.672 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.711 2.877 1.258 1.00 0.01 H new ATOM 1551 N LYS A 100 -23.191 1.331 5.273 1.00 0.01 N ATOM 1552 CA LYS A 100 -23.174 2.164 6.526 1.00 0.01 C ATOM 1553 C LYS A 100 -22.117 1.623 7.489 1.00 0.01 C ATOM 1554 O LYS A 100 -21.576 0.554 7.301 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.545 2.129 7.218 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.667 2.490 6.223 1.00 1.63 C ATOM 1557 CD LYS A 100 -25.824 4.020 6.116 1.00 2.19 C ATOM 1558 CE LYS A 100 -26.754 4.539 7.222 1.00 2.84 C ATOM 1559 NZ LYS A 100 -26.507 5.993 7.433 1.00 3.18 N ATOM 0 H LYS A 100 -23.493 0.365 5.402 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.939 3.193 6.252 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.724 1.136 7.631 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.554 2.829 8.054 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.439 2.073 5.242 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -26.607 2.044 6.549 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -24.848 4.499 6.197 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.228 4.283 5.138 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.795 4.372 6.945 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -26.578 3.991 8.148 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -27.136 6.347 8.182 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -25.517 6.140 7.715 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -26.696 6.509 6.550 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.812 2.373 8.507 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.775 1.940 9.488 1.00 0.01 C ATOM 1575 C GLY A 101 -21.266 0.753 10.325 1.00 0.00 C ATOM 1576 O GLY A 101 -22.434 0.405 10.327 1.00 0.01 O ATOM 0 H GLY A 101 -22.240 3.277 8.706 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.863 1.663 8.959 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.522 2.772 10.145 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.356 0.156 11.053 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.694 -0.991 11.947 1.00 0.00 C ATOM 1582 C ASP A 102 -21.422 -2.099 11.189 1.00 0.00 C ATOM 1583 O ASP A 102 -22.328 -2.728 11.699 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.573 -0.490 13.096 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.798 0.540 13.921 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -19.814 1.056 13.414 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -21.201 0.796 15.043 1.00 0.01 O ATOM 0 H ASP A 102 -19.372 0.423 11.064 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.765 -1.408 12.335 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.486 -0.043 12.701 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.874 -1.325 13.728 1.00 0.01 H new ATOM 1592 N PHE A 103 -21.004 -2.357 9.985 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.627 -3.443 9.183 1.00 0.01 C ATOM 1594 C PHE A 103 -23.144 -3.279 9.128 1.00 0.00 C ATOM 1595 O PHE A 103 -23.884 -4.221 9.331 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.288 -4.791 9.818 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.815 -4.834 10.153 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.870 -4.976 9.130 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.393 -4.731 11.484 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.504 -5.016 9.437 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -18.027 -4.772 11.791 1.00 0.01 C ATOM 1602 CZ PHE A 103 -17.083 -4.915 10.767 1.00 0.01 C ATOM 0 H PHE A 103 -20.249 -1.856 9.516 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.237 -3.394 8.166 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.881 -4.940 10.720 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.540 -5.601 9.134 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -19.195 -5.055 8.103 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -20.121 -4.620 12.274 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.776 -5.125 8.647 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.702 -4.693 12.818 1.00 0.01 H new ATOM 0 HZ PHE A 103 -16.030 -4.947 11.004 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.611 -2.094 8.823 1.00 0.00 N ATOM 1613 CA ASN A 104 -25.083 -1.850 8.712 1.00 0.01 C ATOM 1614 C ASN A 104 -25.380 -1.334 7.304 1.00 0.01 C ATOM 1615 O ASN A 104 -24.487 -0.935 6.581 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.514 -0.797 9.736 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.523 -1.417 11.134 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -24.934 -2.457 11.354 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -26.170 -0.819 12.096 1.00 2.38 N ATOM 0 H ASN A 104 -23.029 -1.276 8.644 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.628 -2.775 8.903 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.832 0.053 9.708 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.506 -0.418 9.488 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -26.181 -1.224 13.032 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -26.665 0.054 11.912 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.620 -1.356 6.894 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.960 -0.878 5.520 1.00 0.01 C ATOM 1628 C GLY A 105 -26.897 -2.058 4.552 1.00 0.01 C ATOM 1629 O GLY A 105 -26.903 -3.202 4.961 1.00 0.01 O ATOM 0 H GLY A 105 -27.411 -1.683 7.449 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.957 -0.437 5.511 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.264 -0.099 5.210 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.829 -1.806 3.274 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.755 -2.931 2.303 1.00 0.01 C ATOM 1635 C GLN A 106 -25.346 -3.524 2.327 1.00 0.01 C ATOM 1636 O GLN A 106 -24.359 -2.821 2.445 1.00 0.01 O ATOM 1637 CB GLN A 106 -27.071 -2.412 0.898 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.198 -3.592 -0.066 1.00 0.01 C ATOM 1639 CD GLN A 106 -27.756 -3.101 -1.404 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -27.450 -2.008 -1.837 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -28.565 -3.870 -2.081 1.00 0.01 N ATOM 0 H GLN A 106 -26.822 -0.873 2.862 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.478 -3.700 2.574 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.998 -1.838 0.911 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.283 -1.738 0.562 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -26.225 -4.059 -0.215 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -27.855 -4.352 0.357 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -28.821 -4.787 -1.716 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -28.941 -3.553 -2.975 1.00 0.01 H new ATOM 1650 N MET A 107 -25.260 -4.827 2.219 1.00 0.01 N ATOM 1651 CA MET A 107 -23.934 -5.521 2.236 1.00 0.01 C ATOM 1652 C MET A 107 -23.698 -6.209 0.891 1.00 0.01 C ATOM 1653 O MET A 107 -24.606 -6.741 0.282 1.00 0.01 O ATOM 1654 CB MET A 107 -23.930 -6.582 3.346 1.00 0.00 C ATOM 1655 CG MET A 107 -22.647 -7.422 3.277 1.00 0.01 C ATOM 1656 SD MET A 107 -22.865 -8.769 2.085 1.00 0.01 S ATOM 1657 CE MET A 107 -23.590 -9.970 3.227 1.00 0.01 C ATOM 0 H MET A 107 -26.063 -5.448 2.118 1.00 0.01 H new ATOM 0 HA MET A 107 -23.147 -4.789 2.418 1.00 0.01 H new ATOM 0 HB2 MET A 107 -24.004 -6.099 4.320 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.802 -7.228 3.243 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.805 -6.795 2.982 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.413 -7.828 4.261 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.808 -10.895 2.693 1.00 0.01 H new ATOM 0 HE2 MET A 107 -22.887 -10.175 4.034 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.513 -9.565 3.643 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.471 -6.216 0.438 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.124 -6.881 -0.858 1.00 0.00 C ATOM 1669 C TYR A 108 -20.885 -7.756 -0.636 1.00 0.01 C ATOM 1670 O TYR A 108 -19.942 -7.366 0.026 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.819 -5.818 -1.918 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.109 -5.202 -2.405 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.889 -5.874 -3.355 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.526 -3.961 -1.908 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.084 -5.303 -3.809 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.721 -3.392 -2.360 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.500 -4.063 -3.311 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.679 -3.501 -3.759 1.00 2.48 O ATOM 0 H TYR A 108 -21.682 -5.783 0.917 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.959 -7.492 -1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.172 -5.047 -1.499 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.281 -6.267 -2.753 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.569 -6.832 -3.737 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.925 -3.443 -1.175 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.685 -5.819 -4.543 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -25.043 -2.435 -1.976 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.766 -2.593 -3.400 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.900 -8.953 -1.171 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.755 -9.905 -0.989 1.00 0.01 C ATOM 1690 C GLU A 109 -19.124 -10.220 -2.345 1.00 0.01 C ATOM 1691 O GLU A 109 -19.813 -10.490 -3.307 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.301 -11.187 -0.358 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.138 -12.073 0.090 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.662 -13.472 0.423 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.065 -13.677 1.556 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.651 -14.314 -0.459 1.00 0.00 O ATOM 0 H GLU A 109 -21.668 -9.317 -1.735 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.993 -9.464 -0.347 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.935 -10.943 0.494 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.923 -11.721 -1.076 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.387 -12.132 -0.698 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.651 -11.638 0.963 1.00 0.01 H new ATOM 1703 N THR A 110 -17.813 -10.184 -2.436 1.00 0.01 N ATOM 1704 CA THR A 110 -17.159 -10.480 -3.747 1.00 0.00 C ATOM 1705 C THR A 110 -15.776 -11.116 -3.550 1.00 0.01 C ATOM 1706 O THR A 110 -15.067 -10.863 -2.583 1.00 0.01 O ATOM 1707 CB THR A 110 -17.008 -9.184 -4.551 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.380 -9.471 -5.791 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.159 -8.181 -3.766 1.00 1.69 C ATOM 0 H THR A 110 -17.178 -9.965 -1.669 1.00 0.01 H new ATOM 0 HA THR A 110 -17.790 -11.186 -4.287 1.00 0.00 H new ATOM 0 HB THR A 110 -17.993 -8.754 -4.731 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.284 -8.644 -6.308 1.00 1.65 H new ATOM 0 HG21 THR A 110 -16.055 -7.262 -4.343 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.644 -7.960 -2.815 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.173 -8.606 -3.580 1.00 1.69 H new ATOM 1717 N THR A 111 -15.409 -11.951 -4.493 1.00 0.00 N ATOM 1718 CA THR A 111 -14.090 -12.656 -4.455 1.00 0.01 C ATOM 1719 C THR A 111 -13.206 -12.196 -5.621 1.00 0.01 C ATOM 1720 O THR A 111 -12.169 -12.772 -5.881 1.00 0.01 O ATOM 1721 CB THR A 111 -14.327 -14.164 -4.564 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.167 -14.430 -5.678 1.00 0.01 O ATOM 1723 CG2 THR A 111 -14.994 -14.673 -3.286 1.00 0.01 C ATOM 0 H THR A 111 -15.983 -12.178 -5.305 1.00 0.00 H new ATOM 0 HA THR A 111 -13.586 -12.422 -3.517 1.00 0.01 H new ATOM 0 HB THR A 111 -13.372 -14.673 -4.698 1.00 0.01 H new ATOM 0 HG1 THR A 111 -14.626 -14.770 -6.422 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.162 -15.747 -3.366 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.348 -14.469 -2.432 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.949 -14.166 -3.147 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.630 -11.187 -6.351 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.838 -10.711 -7.540 1.00 0.01 C ATOM 1733 C GLU A 112 -12.455 -9.235 -7.390 1.00 0.01 C ATOM 1734 O GLU A 112 -13.029 -8.514 -6.602 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.685 -10.880 -8.802 1.00 0.85 C ATOM 1736 CG GLU A 112 -13.781 -12.365 -9.158 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.511 -13.114 -8.041 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -15.373 -12.516 -7.419 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -14.196 -14.273 -7.830 1.00 3.21 O ATOM 0 H GLU A 112 -14.492 -10.671 -6.176 1.00 0.01 H new ATOM 0 HA GLU A 112 -11.925 -11.302 -7.609 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.682 -10.469 -8.642 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.240 -10.325 -9.628 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -14.313 -12.490 -10.101 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -12.783 -12.781 -9.297 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.498 -8.781 -8.161 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.077 -7.349 -8.095 1.00 0.01 C ATOM 1748 C ASP A 113 -12.194 -6.461 -8.662 1.00 0.00 C ATOM 1749 O ASP A 113 -12.979 -6.887 -9.486 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.812 -7.165 -8.939 1.00 0.01 C ATOM 1751 CG ASP A 113 -9.934 -7.981 -10.227 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -11.037 -8.397 -10.539 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -8.923 -8.175 -10.882 1.00 0.00 O ATOM 0 H ASP A 113 -10.987 -9.347 -8.839 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.880 -7.070 -7.060 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.671 -6.111 -9.176 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -8.936 -7.485 -8.375 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.241 -5.216 -8.243 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.275 -4.262 -8.769 1.00 0.01 C ATOM 1760 C CYS A 114 -12.571 -2.985 -9.284 1.00 0.01 C ATOM 1761 O CYS A 114 -11.995 -2.261 -8.494 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.218 -3.871 -7.630 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.420 -2.659 -8.233 1.00 0.01 S ATOM 0 H CYS A 114 -11.603 -4.817 -7.554 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.834 -4.735 -9.577 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.734 -4.753 -7.251 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.649 -3.453 -6.799 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.455 -3.278 -8.717 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.613 -2.671 -10.572 1.00 0.01 N ATOM 1770 CA PRO A 115 -11.952 -1.426 -11.061 1.00 0.01 C ATOM 1771 C PRO A 115 -12.769 -0.178 -10.699 1.00 0.01 C ATOM 1772 O PRO A 115 -12.221 0.889 -10.492 1.00 0.01 O ATOM 1773 CB PRO A 115 -11.908 -1.653 -12.580 1.00 0.01 C ATOM 1774 CG PRO A 115 -12.935 -2.749 -12.919 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.286 -3.499 -11.619 1.00 0.01 C ATOM 0 HA PRO A 115 -10.971 -1.251 -10.620 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.143 -0.731 -13.112 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -10.909 -1.955 -12.893 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -13.830 -2.308 -13.357 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.525 -3.439 -13.657 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.363 -3.554 -11.461 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -12.912 -4.523 -11.628 1.00 0.01 H new ATOM 1783 N SER A 116 -14.073 -0.299 -10.638 1.00 0.01 N ATOM 1784 CA SER A 116 -14.930 0.878 -10.298 1.00 0.02 C ATOM 1785 C SER A 116 -16.096 0.409 -9.419 1.00 0.01 C ATOM 1786 O SER A 116 -17.003 -0.270 -9.865 1.00 0.00 O ATOM 1787 CB SER A 116 -15.471 1.500 -11.586 1.00 0.01 C ATOM 1788 OG SER A 116 -14.435 2.232 -12.225 1.00 0.01 O ATOM 0 H SER A 116 -14.582 -1.166 -10.810 1.00 0.01 H new ATOM 0 HA SER A 116 -14.343 1.622 -9.759 1.00 0.02 H new ATOM 0 HB2 SER A 116 -15.845 0.721 -12.251 1.00 0.01 H new ATOM 0 HB3 SER A 116 -16.311 2.157 -11.361 1.00 0.01 H new ATOM 0 HG SER A 116 -13.592 2.092 -11.746 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.048 0.751 -8.160 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.111 0.319 -7.208 1.00 0.01 C ATOM 1796 C ILE A 117 -18.463 0.924 -7.583 1.00 0.01 C ATOM 1797 O ILE A 117 -19.482 0.274 -7.469 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.727 0.774 -5.801 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.453 0.048 -5.372 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.852 0.442 -4.818 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.875 0.724 -4.130 1.00 1.83 C ATOM 0 H ILE A 117 -15.308 1.318 -7.746 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.199 -0.767 -7.249 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.561 1.851 -5.803 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.672 -0.999 -5.161 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.723 0.064 -6.181 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.570 0.770 -3.818 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.765 0.954 -5.123 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.024 -0.634 -4.812 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -13.966 0.206 -3.824 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.641 1.764 -4.357 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.605 0.685 -3.321 1.00 1.83 H new ATOM 1813 N MET A 118 -18.492 2.161 -7.995 1.00 0.02 N ATOM 1814 CA MET A 118 -19.802 2.783 -8.332 1.00 0.01 C ATOM 1815 C MET A 118 -20.399 2.097 -9.558 1.00 0.01 C ATOM 1816 O MET A 118 -21.589 1.898 -9.643 1.00 0.02 O ATOM 1817 CB MET A 118 -19.630 4.278 -8.606 1.00 0.24 C ATOM 1818 CG MET A 118 -21.005 4.946 -8.692 1.00 0.63 C ATOM 1819 SD MET A 118 -21.760 4.987 -7.048 1.00 1.20 S ATOM 1820 CE MET A 118 -23.311 5.787 -7.529 1.00 1.34 C ATOM 0 H MET A 118 -17.676 2.762 -8.112 1.00 0.02 H new ATOM 0 HA MET A 118 -20.476 2.659 -7.484 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.040 4.738 -7.813 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.083 4.427 -9.537 1.00 0.24 H new ATOM 0 HG2 MET A 118 -20.905 5.958 -9.083 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.645 4.398 -9.384 1.00 0.63 H new ATOM 0 HE1 MET A 118 -24.011 5.754 -6.694 1.00 1.34 H new ATOM 0 HE2 MET A 118 -23.117 6.825 -7.799 1.00 1.34 H new ATOM 0 HE3 MET A 118 -23.740 5.264 -8.384 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.598 1.726 -10.509 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.163 1.059 -11.709 1.00 0.02 C ATOM 1832 C GLU A 119 -20.657 -0.342 -11.339 1.00 0.02 C ATOM 1833 O GLU A 119 -21.647 -0.820 -11.857 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.079 0.950 -12.785 1.00 0.30 C ATOM 1835 CG GLU A 119 -18.825 2.330 -13.399 1.00 0.99 C ATOM 1836 CD GLU A 119 -17.824 2.202 -14.549 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -16.834 1.514 -14.372 1.00 2.07 O ATOM 1838 OE2 GLU A 119 -18.066 2.796 -15.587 1.00 2.11 O ATOM 0 H GLU A 119 -18.586 1.853 -10.510 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.000 1.646 -12.088 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.159 0.559 -12.351 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -19.390 0.248 -13.559 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -19.760 2.755 -13.763 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -18.439 3.011 -12.641 1.00 0.99 H new ATOM 1845 N GLN A 120 -19.939 -1.029 -10.489 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.333 -2.426 -10.137 1.00 0.01 C ATOM 1847 C GLN A 120 -21.452 -2.470 -9.089 1.00 0.01 C ATOM 1848 O GLN A 120 -22.386 -3.237 -9.212 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.110 -3.168 -9.595 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.495 -4.606 -9.241 1.00 1.07 C ATOM 1851 CD GLN A 120 -18.231 -5.417 -8.952 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -17.152 -4.867 -8.846 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -18.319 -6.711 -8.819 1.00 2.08 N ATOM 0 H GLN A 120 -19.099 -0.684 -10.024 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.710 -2.902 -11.042 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.313 -3.167 -10.339 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.724 -2.657 -8.713 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -20.152 -4.614 -8.371 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.050 -5.058 -10.063 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -19.224 -7.172 -8.908 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -17.483 -7.262 -8.626 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.328 -1.710 -8.025 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.349 -1.772 -6.922 1.00 0.01 C ATOM 1864 C PHE A 121 -23.193 -0.501 -6.822 1.00 0.01 C ATOM 1865 O PHE A 121 -24.064 -0.400 -5.981 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.624 -1.995 -5.595 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.750 -3.222 -5.700 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -19.435 -3.108 -6.166 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -21.255 -4.474 -5.329 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -18.625 -4.245 -6.263 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -20.445 -5.611 -5.426 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.130 -5.497 -5.892 1.00 0.01 C ATOM 0 H PHE A 121 -20.566 -1.050 -7.871 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.029 -2.594 -7.149 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.018 -1.123 -5.348 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.347 -2.118 -4.789 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -19.045 -2.142 -6.451 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -22.269 -4.562 -4.968 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -17.611 -4.157 -6.624 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -20.835 -6.577 -5.141 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.505 -6.375 -5.965 1.00 0.01 H new ATOM 1882 N HIS A 122 -22.950 0.476 -7.650 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.748 1.730 -7.566 1.00 0.01 C ATOM 1884 C HIS A 122 -23.575 2.355 -6.178 1.00 0.01 C ATOM 1885 O HIS A 122 -24.482 2.962 -5.646 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.224 1.409 -7.825 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.331 0.382 -8.920 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -26.098 -0.765 -8.787 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -24.772 0.316 -10.172 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.981 -1.466 -9.930 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.184 -0.852 -10.808 1.00 0.01 N ATOM 0 H HIS A 122 -22.236 0.461 -8.378 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.401 2.440 -8.317 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.691 1.034 -6.914 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.760 2.315 -8.108 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -24.113 1.057 -10.599 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -26.472 -2.410 -10.115 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -24.931 -1.170 -11.744 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.406 2.208 -5.592 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.149 2.793 -4.228 1.00 0.01 C ATOM 1901 C LEU A 123 -21.122 3.921 -4.363 1.00 0.02 C ATOM 1902 O LEU A 123 -20.128 3.790 -5.050 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.593 1.694 -3.292 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.739 0.993 -2.533 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.272 -0.382 -2.046 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.150 1.825 -1.310 1.00 0.01 C ATOM 0 H LEU A 123 -21.616 1.707 -5.999 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.076 3.184 -3.809 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.035 0.961 -3.875 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.895 2.135 -2.580 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.587 0.886 -3.210 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.084 -0.874 -1.511 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -21.980 -0.991 -2.901 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.419 -0.261 -1.379 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.959 1.321 -0.782 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.296 1.937 -0.642 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.487 2.809 -1.636 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.358 5.036 -3.716 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.404 6.179 -3.811 1.00 0.00 C ATOM 1920 C ARG A 124 -19.372 6.116 -2.681 1.00 0.01 C ATOM 1921 O ARG A 124 -18.302 6.684 -2.775 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.179 7.495 -3.706 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.016 7.696 -4.969 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.909 8.928 -4.798 1.00 2.92 C ATOM 1925 NE ARG A 124 -22.065 10.155 -4.768 1.00 3.54 N ATOM 1926 CZ ARG A 124 -22.612 11.330 -4.928 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -23.901 11.431 -5.109 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -21.872 12.404 -4.907 1.00 5.32 N ATOM 0 H ARG A 124 -22.173 5.202 -3.125 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.885 6.121 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.824 7.480 -2.828 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.487 8.328 -3.579 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.365 7.823 -5.834 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.627 6.814 -5.157 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.626 8.987 -5.617 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.485 8.847 -3.876 1.00 2.92 H new ATOM 0 HE ARG A 124 -21.058 10.077 -4.622 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -24.481 10.592 -5.125 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -24.328 12.349 -5.234 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -20.865 12.327 -4.766 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -22.301 13.321 -5.032 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.692 5.449 -1.597 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.740 5.371 -0.446 1.00 0.01 C ATOM 1944 C GLU A 125 -18.919 4.041 0.297 1.00 0.01 C ATOM 1945 O GLU A 125 -19.923 3.372 0.160 1.00 0.01 O ATOM 1946 CB GLU A 125 -19.033 6.514 0.527 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.609 7.843 -0.101 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.709 8.957 0.943 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.631 8.914 1.740 1.00 0.01 O ATOM 1950 OE2 GLU A 125 -17.861 9.835 0.927 1.00 0.02 O ATOM 0 H GLU A 125 -20.574 4.955 -1.461 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.721 5.444 -0.825 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.096 6.537 0.768 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.497 6.355 1.463 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.588 7.771 -0.475 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.246 8.073 -0.955 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.958 3.673 1.111 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.060 2.407 1.910 1.00 0.01 C ATOM 1959 C ILE A 126 -17.683 2.744 3.356 1.00 0.01 C ATOM 1960 O ILE A 126 -16.689 3.403 3.591 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.090 1.364 1.343 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.660 0.835 0.025 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.929 0.202 2.332 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.622 -0.041 -0.669 1.00 1.70 C ATOM 0 H ILE A 126 -17.098 4.201 1.258 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.069 1.998 1.866 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.115 1.822 1.177 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.567 0.261 0.214 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.939 1.667 -0.622 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.238 -0.533 1.920 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.536 0.580 3.276 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.898 -0.267 2.503 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.031 -0.416 -1.607 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.727 0.547 -0.873 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.365 -0.881 -0.024 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.493 2.362 4.324 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.180 2.751 5.749 1.00 0.01 C ATOM 1978 C HIS A 127 -17.693 1.573 6.602 1.00 0.01 C ATOM 1979 O HIS A 127 -17.166 1.766 7.679 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.429 3.374 6.389 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.615 4.781 5.890 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -20.115 5.057 4.628 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.369 6.000 6.471 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -20.153 6.395 4.491 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -19.709 7.018 5.586 1.00 0.02 N ATOM 0 H HIS A 127 -19.341 1.809 4.196 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.363 3.471 5.715 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.308 2.775 6.149 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.330 3.374 7.474 1.00 0.02 H new ATOM 0 HD1 HIS A 127 -20.402 4.371 3.930 1.00 0.01 H new ATOM 0 HD2 HIS A 127 -18.972 6.147 7.465 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -20.500 6.903 3.604 1.00 0.01 H new ATOM 1993 N SER A 128 -17.819 0.364 6.136 1.00 0.01 N ATOM 1994 CA SER A 128 -17.313 -0.795 6.932 1.00 0.01 C ATOM 1995 C SER A 128 -17.051 -1.947 5.963 1.00 0.01 C ATOM 1996 O SER A 128 -17.628 -2.004 4.896 1.00 0.01 O ATOM 1997 CB SER A 128 -18.360 -1.200 7.988 1.00 0.01 C ATOM 1998 OG SER A 128 -19.632 -0.716 7.591 1.00 0.01 O ATOM 0 H SER A 128 -18.248 0.125 5.242 1.00 0.01 H new ATOM 0 HA SER A 128 -16.393 -0.533 7.455 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.387 -2.285 8.094 1.00 0.01 H new ATOM 0 HB3 SER A 128 -18.089 -0.791 8.962 1.00 0.01 H new ATOM 0 HG SER A 128 -20.073 -0.289 8.355 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.165 -2.844 6.293 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.860 -3.955 5.353 1.00 0.01 C ATOM 2006 C CYS A 129 -15.177 -5.090 6.106 1.00 0.00 C ATOM 2007 O CYS A 129 -14.423 -4.869 7.034 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.923 -3.435 4.266 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.249 -4.824 3.325 1.00 1.22 S ATOM 0 H CYS A 129 -15.642 -2.856 7.168 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.783 -4.324 4.907 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.462 -2.760 3.601 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.113 -2.861 4.715 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.179 -5.713 3.138 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.434 -6.312 5.709 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.805 -7.481 6.395 1.00 0.01 C ATOM 2017 C LYS A 130 -14.009 -8.292 5.367 1.00 0.01 C ATOM 2018 O LYS A 130 -14.547 -8.956 4.506 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.920 -8.351 7.035 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.747 -8.425 8.561 1.00 0.80 C ATOM 2021 CD LYS A 130 -16.957 -9.131 9.177 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.640 -9.524 10.622 1.00 0.33 C ATOM 2023 NZ LYS A 130 -17.807 -10.237 11.214 1.00 1.41 N ATOM 0 H LYS A 130 -16.055 -6.550 4.936 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.127 -7.145 7.180 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.897 -7.932 6.795 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.892 -9.355 6.612 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.833 -8.964 8.808 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.648 -7.422 8.976 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.827 -8.474 9.150 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -17.209 -10.018 8.595 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -15.758 -10.164 10.650 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -16.408 -8.635 11.209 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -17.590 -10.503 12.196 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -18.639 -9.613 11.201 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -18.008 -11.094 10.660 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.718 -8.240 5.478 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.826 -9.002 4.564 1.00 0.01 C ATOM 2039 C VAL A 131 -11.195 -10.092 5.395 1.00 0.01 C ATOM 2040 O VAL A 131 -10.475 -9.803 6.337 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.728 -8.081 4.022 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.864 -8.850 3.017 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.365 -6.874 3.327 1.00 0.01 C ATOM 0 H VAL A 131 -12.228 -7.687 6.182 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.383 -9.409 3.720 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.106 -7.737 4.848 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.083 -8.194 2.632 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.407 -9.707 3.511 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.487 -9.196 2.192 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.582 -6.221 2.942 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.989 -7.217 2.502 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.978 -6.324 4.041 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.364 -11.344 5.023 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.655 -12.417 5.780 1.00 0.01 C ATOM 2055 C VAL A 132 -10.302 -13.526 4.796 1.00 0.00 C ATOM 2056 O VAL A 132 -10.837 -14.613 4.859 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.575 -12.970 6.869 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -10.789 -13.922 7.770 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.126 -11.813 7.708 1.00 1.98 C ATOM 0 H VAL A 132 -11.948 -11.658 4.248 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.754 -12.022 6.250 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.401 -13.509 6.405 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.446 -14.315 8.545 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.397 -14.746 7.174 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -9.962 -13.384 8.234 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.782 -12.207 8.484 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.300 -11.273 8.170 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.689 -11.135 7.067 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.403 -13.271 3.901 1.00 0.01 N ATOM 2070 CA GLU A 133 -8.998 -14.313 2.919 1.00 0.01 C ATOM 2071 C GLU A 133 -8.046 -13.641 1.934 1.00 0.01 C ATOM 2072 O GLU A 133 -8.490 -12.871 1.093 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.246 -14.886 2.194 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.457 -16.368 2.553 1.00 0.00 C ATOM 2075 CD GLU A 133 -11.871 -16.796 2.155 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -12.810 -16.310 2.764 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -11.990 -17.603 1.248 1.00 0.00 O ATOM 0 H GLU A 133 -8.923 -12.377 3.802 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.507 -15.152 3.411 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.129 -14.311 2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.125 -14.782 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -9.721 -16.986 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -10.308 -16.518 3.622 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.772 -13.915 2.022 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.799 -13.281 1.084 1.00 0.01 C ATOM 2086 C GLY A 134 -5.595 -11.813 1.472 1.00 0.01 C ATOM 2087 O GLY A 134 -6.145 -11.340 2.448 1.00 0.01 O ATOM 0 H GLY A 134 -6.362 -14.552 2.705 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.848 -13.812 1.117 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.167 -13.350 0.060 1.00 0.01 H new ATOM 2091 N THR A 135 -4.810 -11.088 0.710 1.00 0.01 N ATOM 2092 CA THR A 135 -4.560 -9.641 1.015 1.00 0.01 C ATOM 2093 C THR A 135 -5.260 -8.789 -0.046 1.00 0.01 C ATOM 2094 O THR A 135 -5.329 -9.162 -1.201 1.00 0.01 O ATOM 2095 CB THR A 135 -3.054 -9.367 0.985 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.375 -10.399 1.685 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.764 -8.021 1.651 1.00 2.30 C ATOM 0 H THR A 135 -4.328 -11.439 -0.117 1.00 0.01 H new ATOM 0 HA THR A 135 -4.948 -9.394 2.003 1.00 0.01 H new ATOM 0 HB THR A 135 -2.710 -9.339 -0.049 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.410 -10.227 1.666 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.692 -7.828 1.629 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.287 -7.229 1.114 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.107 -8.045 2.685 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.796 -7.656 0.341 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.522 -6.777 -0.634 1.00 0.01 C ATOM 2107 C TRP A 136 -5.990 -5.343 -0.562 1.00 0.01 C ATOM 2108 O TRP A 136 -5.650 -4.841 0.489 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.013 -6.772 -0.294 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.608 -8.105 -0.613 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.424 -9.230 0.114 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.478 -8.471 -1.723 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.130 -10.264 -0.476 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.795 -9.846 -1.612 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -10.019 -7.753 -2.804 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.619 -10.485 -2.540 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.848 -8.392 -3.740 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.148 -9.755 -3.608 1.00 0.01 C ATOM 0 H TRP A 136 -5.762 -7.299 1.296 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.365 -7.164 -1.641 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.154 -6.544 0.762 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.522 -5.991 -0.859 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -7.824 -9.309 1.009 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.156 -11.218 -0.116 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.795 -6.702 -2.915 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.846 -11.535 -2.434 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -11.257 -7.830 -4.567 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.787 -10.240 -4.331 1.00 0.01 H new ATOM 2129 N ILE A 137 -5.952 -4.664 -1.679 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.486 -3.241 -1.701 1.00 0.00 C ATOM 2131 C ILE A 137 -6.664 -2.379 -2.147 1.00 0.01 C ATOM 2132 O ILE A 137 -7.392 -2.745 -3.042 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.352 -3.079 -2.717 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.266 -4.126 -2.454 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.749 -1.677 -2.591 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.067 -3.858 -3.370 1.00 1.69 C ATOM 0 H ILE A 137 -6.227 -5.037 -2.588 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.127 -2.948 -0.714 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.749 -3.217 -3.723 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -2.955 -4.089 -1.410 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.659 -5.127 -2.634 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -2.942 -1.562 -3.314 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.519 -0.931 -2.785 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.356 -1.539 -1.584 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.293 -4.603 -3.184 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.384 -3.917 -4.411 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.670 -2.863 -3.168 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.833 -1.222 -1.546 1.00 0.01 N ATOM 2149 CA PHE A 138 -7.950 -0.295 -1.949 1.00 0.01 C ATOM 2150 C PHE A 138 -7.314 0.950 -2.579 1.00 0.01 C ATOM 2151 O PHE A 138 -6.299 1.423 -2.115 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.820 0.046 -0.696 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.701 1.503 -0.242 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -9.090 2.555 -1.089 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.222 1.796 1.043 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.992 3.883 -0.655 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.128 3.126 1.474 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.511 4.169 0.625 1.00 2.49 C ATOM 0 H PHE A 138 -6.243 -0.876 -0.789 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.615 -0.755 -2.679 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -9.864 -0.171 -0.920 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.528 -0.607 0.127 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.466 2.339 -2.078 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -7.925 0.994 1.702 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -9.289 4.688 -1.311 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.759 3.346 2.465 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.435 5.194 0.958 1.00 2.49 H new ATOM 2168 N TYR A 139 -7.915 1.492 -3.619 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.363 2.722 -4.276 1.00 0.01 C ATOM 2170 C TYR A 139 -8.428 3.825 -4.246 1.00 0.01 C ATOM 2171 O TYR A 139 -9.620 3.561 -4.335 1.00 0.01 O ATOM 2172 CB TYR A 139 -6.987 2.413 -5.730 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.044 1.232 -5.775 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.528 -0.054 -5.515 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.690 1.422 -6.081 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -5.661 -1.150 -5.556 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -3.822 0.324 -6.124 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.307 -0.963 -5.861 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.452 -2.045 -5.903 1.00 0.00 O ATOM 0 H TYR A 139 -8.770 1.130 -4.041 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.472 3.052 -3.741 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.885 2.196 -6.309 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.516 3.284 -6.186 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.572 -0.201 -5.282 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.316 2.415 -6.284 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.036 -2.142 -5.352 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -2.778 0.470 -6.360 1.00 0.02 H new ATOM 0 HH TYR A 139 -2.549 -1.740 -6.130 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.010 5.051 -4.064 1.00 0.01 N ATOM 2190 CA GLU A 140 -8.981 6.181 -3.946 1.00 0.02 C ATOM 2191 C GLU A 140 -9.616 6.538 -5.299 1.00 0.01 C ATOM 2192 O GLU A 140 -10.738 7.004 -5.333 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.206 7.394 -3.409 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.172 8.418 -2.801 1.00 0.02 C ATOM 2195 CD GLU A 140 -9.996 9.067 -3.912 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -9.411 9.757 -4.730 1.00 0.02 O ATOM 2197 OE2 GLU A 140 -11.200 8.862 -3.927 1.00 0.01 O ATOM 0 H GLU A 140 -7.029 5.320 -3.991 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.792 5.890 -3.278 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.488 7.070 -2.656 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.636 7.856 -4.215 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.831 7.930 -2.083 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -8.615 9.179 -2.255 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.937 6.343 -6.411 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.548 6.703 -7.742 1.00 0.02 C ATOM 2206 C LEU A 141 -9.756 5.420 -8.572 1.00 0.01 C ATOM 2207 O LEU A 141 -9.049 4.444 -8.389 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.581 7.648 -8.484 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.793 9.105 -8.020 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.531 9.926 -8.302 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -9.974 9.742 -8.767 1.00 1.24 C ATOM 0 H LEU A 141 -7.995 5.954 -6.457 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.510 7.194 -7.595 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.551 7.346 -8.296 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.744 7.574 -9.559 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.005 9.097 -6.951 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.685 10.954 -7.973 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.688 9.494 -7.762 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.321 9.915 -9.372 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.108 10.769 -8.427 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.772 9.738 -9.838 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.881 9.172 -8.567 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.710 5.416 -9.491 1.00 0.01 N ATOM 2224 CA PRO A 142 -10.970 4.208 -10.328 1.00 0.01 C ATOM 2225 C PRO A 142 -9.714 3.717 -11.051 1.00 0.01 C ATOM 2226 O PRO A 142 -8.714 4.400 -11.156 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.039 4.705 -11.329 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.276 6.208 -11.081 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.589 6.594 -9.760 1.00 0.01 C ATOM 0 HA PRO A 142 -11.292 3.351 -9.736 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.706 4.537 -12.353 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -12.967 4.148 -11.200 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.873 6.797 -11.905 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.344 6.421 -11.030 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.014 7.515 -9.857 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.311 6.752 -8.959 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.802 2.522 -11.567 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.670 1.919 -12.325 1.00 0.01 C ATOM 2239 C ASN A 143 -7.421 1.801 -11.450 1.00 0.01 C ATOM 2240 O ASN A 143 -6.305 1.846 -11.929 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.353 2.796 -13.540 1.00 0.23 C ATOM 2242 CG ASN A 143 -7.478 2.015 -14.524 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -6.304 2.292 -14.661 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -8.006 1.045 -15.219 1.00 0.56 N ATOM 0 H ASN A 143 -10.627 1.927 -11.493 1.00 0.01 H new ATOM 0 HA ASN A 143 -8.963 0.919 -12.644 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -9.277 3.107 -14.027 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.839 3.703 -13.222 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -7.432 0.519 -15.878 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -8.992 0.813 -15.103 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.609 1.610 -10.171 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.450 1.442 -9.247 1.00 0.02 C ATOM 2253 C TYR A 144 -5.517 2.658 -9.307 1.00 0.01 C ATOM 2254 O TYR A 144 -4.322 2.520 -9.486 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.679 0.170 -9.640 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.656 -0.852 -10.187 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.713 -1.304 -9.386 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.515 -1.335 -11.495 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.624 -2.240 -9.891 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.429 -2.269 -12.000 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.483 -2.722 -11.198 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.383 -3.641 -11.694 1.00 0.01 O ATOM 0 H TYR A 144 -8.524 1.563 -9.723 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.821 1.354 -8.226 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.922 0.405 -10.388 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.156 -0.236 -8.774 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.825 -0.930 -8.379 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.701 -0.987 -12.114 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.436 -2.591 -9.272 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.320 -2.640 -13.009 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.142 -3.870 -12.616 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.056 3.845 -9.154 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.201 5.082 -9.196 1.00 0.01 C ATOM 2274 C ARG A 145 -5.410 5.899 -7.919 1.00 0.01 C ATOM 2275 O ARG A 145 -6.354 5.683 -7.184 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.606 5.941 -10.401 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.468 5.131 -11.703 1.00 0.02 C ATOM 2278 CD ARG A 145 -4.017 5.164 -12.198 1.00 0.01 C ATOM 2279 NE ARG A 145 -3.586 6.579 -12.392 1.00 0.01 N ATOM 2280 CZ ARG A 145 -2.318 6.865 -12.514 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -1.426 5.915 -12.466 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -1.943 8.103 -12.686 1.00 0.01 N ATOM 0 H ARG A 145 -7.050 4.014 -9.002 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.154 4.789 -9.279 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.635 6.282 -10.284 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -4.978 6.831 -10.450 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -5.778 4.100 -11.533 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -6.129 5.541 -12.466 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -3.365 4.670 -11.477 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -3.929 4.615 -13.135 1.00 0.01 H new ATOM 0 HE ARG A 145 -4.282 7.323 -12.429 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -1.719 4.947 -12.333 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -0.436 6.140 -12.561 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -2.640 8.846 -12.725 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -0.953 8.327 -12.781 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.524 6.823 -7.630 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.658 7.645 -6.391 1.00 0.02 C ATOM 2298 C GLY A 146 -3.930 6.958 -5.231 1.00 0.01 C ATOM 2299 O GLY A 146 -3.139 6.057 -5.423 1.00 0.02 O ATOM 0 H GLY A 146 -3.710 7.042 -8.204 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.242 8.639 -6.556 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.711 7.778 -6.144 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.196 7.387 -4.027 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.524 6.774 -2.843 1.00 0.01 C ATOM 2305 C ARG A 147 -4.021 5.341 -2.682 1.00 0.01 C ATOM 2306 O ARG A 147 -5.172 5.027 -2.926 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.878 7.586 -1.594 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.126 7.021 -0.388 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.344 7.932 0.822 1.00 0.01 C ATOM 2310 NE ARG A 147 -2.600 9.209 0.622 1.00 0.02 N ATOM 2311 CZ ARG A 147 -2.874 10.247 1.366 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -3.791 10.166 2.290 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -2.228 11.365 1.185 1.00 0.02 N ATOM 0 H ARG A 147 -4.852 8.138 -3.811 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.443 6.773 -2.981 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.615 8.633 -1.742 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.953 7.549 -1.416 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.478 6.013 -0.166 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -2.062 6.945 -0.612 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -4.407 8.134 0.952 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -3.001 7.437 1.730 1.00 0.01 H new ATOM 0 HE ARG A 147 -1.878 9.272 -0.095 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -4.295 9.291 2.433 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.004 10.978 2.870 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -1.510 11.428 0.463 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -2.441 12.177 1.765 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.125 4.457 -2.303 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.469 3.012 -2.147 1.00 0.01 C ATOM 2329 C GLN A 148 -3.247 2.587 -0.690 1.00 0.01 C ATOM 2330 O GLN A 148 -2.386 3.107 -0.007 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.523 2.209 -3.060 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.204 3.020 -4.325 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.108 4.047 -4.022 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -0.627 4.131 -2.909 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -0.692 4.838 -4.973 1.00 0.01 N ATOM 0 H GLN A 148 -2.153 4.685 -2.092 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.511 2.834 -2.413 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.602 1.973 -2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -2.985 1.260 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -1.879 2.353 -5.123 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -3.102 3.527 -4.679 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -1.095 4.768 -5.907 1.00 0.01 H new ATOM 0 HE22 GLN A 148 0.036 5.526 -4.782 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.015 1.638 -0.218 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.866 1.142 1.191 1.00 0.01 C ATOM 2346 C TYR A 149 -3.744 -0.391 1.179 1.00 0.01 C ATOM 2347 O TYR A 149 -4.396 -1.058 0.398 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.104 1.573 2.016 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.672 2.259 3.298 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.305 1.493 4.411 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.632 3.656 3.366 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.898 2.126 5.592 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.223 4.289 4.546 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.856 3.524 5.659 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.451 4.148 6.821 1.00 0.01 O ATOM 0 H TYR A 149 -4.750 1.177 -0.754 1.00 0.01 H new ATOM 0 HA TYR A 149 -2.970 1.567 1.644 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.725 2.248 1.426 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.714 0.701 2.250 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.336 0.415 4.359 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.917 4.246 2.508 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.616 1.536 6.451 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.191 5.367 4.597 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.479 5.120 6.697 1.00 0.01 H new ATOM 2365 N LEU A 150 -2.914 -0.948 2.028 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.743 -2.436 2.064 1.00 0.01 C ATOM 2367 C LEU A 150 -3.674 -3.016 3.139 1.00 0.01 C ATOM 2368 O LEU A 150 -3.577 -2.676 4.302 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.278 -2.737 2.418 1.00 0.01 C ATOM 2370 CG LEU A 150 -0.929 -4.204 2.070 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -0.355 -4.284 0.651 1.00 0.01 C ATOM 2372 CD2 LEU A 150 0.118 -4.743 3.054 1.00 0.01 C ATOM 0 H LEU A 150 -2.345 -0.434 2.701 1.00 0.01 H new ATOM 0 HA LEU A 150 -2.991 -2.882 1.101 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.619 -2.061 1.873 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.110 -2.559 3.480 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.839 -4.800 2.135 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -0.112 -5.320 0.415 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.092 -3.912 -0.061 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.548 -3.677 0.589 1.00 0.01 H new ATOM 0 HD21 LEU A 150 0.357 -5.776 2.801 1.00 0.01 H new ATOM 0 HD22 LEU A 150 1.021 -4.136 2.993 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -0.280 -4.701 4.068 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.585 -3.882 2.751 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.544 -4.485 3.731 1.00 0.01 C ATOM 2386 C LEU A 151 -5.186 -5.948 4.012 1.00 0.01 C ATOM 2387 O LEU A 151 -4.918 -6.718 3.110 1.00 0.01 O ATOM 2388 CB LEU A 151 -6.958 -4.425 3.150 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.230 -3.023 2.598 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.693 -2.927 2.154 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -6.949 -1.975 3.686 1.00 0.01 C ATOM 0 H LEU A 151 -4.704 -4.198 1.788 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.489 -3.923 4.663 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.068 -5.166 2.358 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.689 -4.671 3.920 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.578 -2.836 1.744 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -8.889 -1.930 1.761 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -8.887 -3.668 1.378 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.345 -3.115 3.007 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.143 -0.978 3.290 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.597 -2.158 4.543 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -5.907 -2.045 3.998 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.222 -6.343 5.260 1.00 0.01 N ATOM 2404 CA ASP A 152 -4.927 -7.763 5.628 1.00 0.01 C ATOM 2405 C ASP A 152 -6.230 -8.416 6.099 1.00 0.00 C ATOM 2406 O ASP A 152 -7.231 -7.750 6.275 1.00 0.01 O ATOM 2407 CB ASP A 152 -3.902 -7.788 6.763 1.00 1.04 C ATOM 2408 CG ASP A 152 -3.665 -9.234 7.204 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -3.565 -10.087 6.338 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -3.589 -9.464 8.400 1.00 2.27 O ATOM 0 H ASP A 152 -5.446 -5.736 6.048 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.524 -8.303 4.771 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -2.965 -7.339 6.432 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -4.260 -7.194 7.604 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.235 -9.705 6.306 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.488 -10.374 6.770 1.00 0.01 C ATOM 2417 C LYS A 153 -7.960 -9.689 8.061 1.00 0.01 C ATOM 2418 O LYS A 153 -7.617 -10.106 9.150 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.208 -11.862 7.038 1.00 0.38 C ATOM 2420 CG LYS A 153 -5.824 -12.019 7.666 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.680 -13.431 8.227 1.00 0.72 C ATOM 2422 CE LYS A 153 -4.259 -13.627 8.755 1.00 1.09 C ATOM 2423 NZ LYS A 153 -3.308 -13.691 7.607 1.00 1.84 N ATOM 0 H LYS A 153 -5.433 -10.321 6.176 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.261 -10.294 6.006 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -7.969 -12.271 7.703 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.262 -12.426 6.107 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -5.051 -11.831 6.921 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.687 -11.285 8.460 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -6.402 -13.591 9.028 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -5.896 -14.166 7.451 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -3.990 -12.806 9.419 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -4.200 -14.544 9.342 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -2.420 -14.135 7.916 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -3.727 -14.254 6.840 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -3.113 -12.729 7.263 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.722 -8.621 7.951 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.191 -7.891 9.176 1.00 0.01 C ATOM 2439 C LYS A 154 -10.672 -7.514 9.070 1.00 0.01 C ATOM 2440 O LYS A 154 -11.279 -7.573 8.016 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.367 -6.618 9.339 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.945 -6.985 9.770 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.146 -5.706 10.024 1.00 0.97 C ATOM 2444 CE LYS A 154 -4.867 -6.048 10.792 1.00 1.44 C ATOM 2445 NZ LYS A 154 -4.071 -7.034 10.012 1.00 2.28 N ATOM 0 H LYS A 154 -9.038 -8.225 7.066 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.065 -8.548 10.036 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.343 -6.064 8.400 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.827 -5.966 10.082 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.973 -7.595 10.673 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.461 -7.582 8.997 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -5.897 -5.226 9.078 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.746 -4.996 10.593 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -4.281 -5.145 10.964 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -5.116 -6.458 11.771 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -3.357 -7.470 10.630 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -4.702 -7.771 9.638 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -3.597 -6.551 9.222 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.241 -7.082 10.173 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.672 -6.641 10.201 1.00 0.01 C ATOM 2461 C GLU A 155 -12.701 -5.131 10.471 1.00 0.01 C ATOM 2462 O GLU A 155 -12.379 -4.686 11.556 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.414 -7.378 11.325 1.00 0.01 C ATOM 2464 CG GLU A 155 -13.050 -8.866 11.289 1.00 0.01 C ATOM 2465 CD GLU A 155 -11.664 -9.076 11.903 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -11.085 -8.107 12.362 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -11.208 -10.207 11.905 1.00 0.01 O ATOM 0 H GLU A 155 -10.763 -7.016 11.072 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.156 -6.865 9.251 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -13.148 -6.951 12.292 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.490 -7.253 11.207 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -13.793 -9.445 11.838 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -13.061 -9.228 10.261 1.00 0.01 H new ATOM 2474 N TYR A 156 -13.064 -4.334 9.494 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.088 -2.848 9.695 1.00 0.01 C ATOM 2476 C TYR A 156 -14.518 -2.365 9.939 1.00 0.01 C ATOM 2477 O TYR A 156 -15.373 -2.491 9.084 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.518 -2.169 8.445 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.104 -2.645 8.213 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -10.042 -2.045 8.900 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.855 -3.684 7.308 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.731 -2.486 8.683 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.544 -4.124 7.091 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.481 -3.525 7.778 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.189 -3.958 7.563 1.00 0.01 O ATOM 0 H TYR A 156 -13.345 -4.648 8.565 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.485 -2.592 10.566 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.137 -2.400 7.578 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.533 -1.086 8.568 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.234 -1.243 9.597 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.674 -4.146 6.777 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.912 -2.024 9.214 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.352 -4.926 6.393 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.193 -4.685 6.906 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.802 -1.848 11.108 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.195 -1.401 11.414 1.00 0.01 C ATOM 2497 C ARG A 157 -16.391 0.080 11.078 1.00 0.00 C ATOM 2498 O ARG A 157 -17.495 0.509 10.811 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.473 -1.613 12.903 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.324 -1.028 13.727 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.714 -1.011 15.206 1.00 0.00 C ATOM 2502 NE ARG A 157 -16.006 -2.400 15.656 1.00 0.01 N ATOM 2503 CZ ARG A 157 -16.070 -2.672 16.931 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.880 -1.727 17.811 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -16.320 -3.890 17.324 1.00 0.01 N ATOM 0 H ARG A 157 -14.129 -1.716 11.863 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.884 -1.987 10.806 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.413 -1.135 13.180 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.582 -2.677 13.115 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.421 -1.622 13.585 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -15.097 -0.017 13.388 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -14.906 -0.586 15.802 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -16.588 -0.377 15.356 1.00 0.00 H new ATOM 0 HE ARG A 157 -16.156 -3.138 14.968 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -15.681 -0.775 17.503 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.930 -1.940 18.807 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -16.465 -4.628 16.635 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -16.370 -4.104 18.320 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.344 0.874 11.084 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.490 2.332 10.752 1.00 0.01 C ATOM 2521 C LYS A 158 -14.503 2.678 9.624 1.00 0.01 C ATOM 2522 O LYS A 158 -13.474 2.049 9.505 1.00 0.01 O ATOM 2523 CB LYS A 158 -15.151 3.156 12.003 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.361 3.192 12.941 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.991 3.930 14.229 1.00 1.44 C ATOM 2526 CE LYS A 158 -17.202 3.961 15.164 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.405 2.611 15.756 1.00 2.54 N ATOM 0 H LYS A 158 -14.394 0.576 11.304 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.508 2.554 10.431 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.294 2.720 12.516 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.870 4.170 11.717 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -17.198 3.691 12.452 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.685 2.177 13.172 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -15.153 3.433 14.718 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.669 4.946 13.999 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.047 4.697 15.953 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -18.092 4.266 14.614 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -18.076 2.676 16.547 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -17.785 1.968 15.032 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -16.496 2.244 16.103 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.773 3.682 8.817 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.816 4.058 7.735 1.00 0.02 C ATOM 2543 C PRO A 159 -12.463 4.471 8.329 1.00 0.01 C ATOM 2544 O PRO A 159 -11.419 4.103 7.824 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.538 5.234 7.048 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.720 5.655 7.940 1.00 0.70 C ATOM 2547 CD PRO A 159 -16.015 4.501 8.911 1.00 0.28 C ATOM 0 HA PRO A 159 -13.580 3.249 7.044 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.853 6.070 6.904 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.892 4.939 6.060 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.477 6.564 8.490 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.597 5.875 7.332 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -16.191 4.858 9.926 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.898 3.936 8.614 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.457 5.231 9.385 1.00 0.01 N ATOM 2556 CA VAL A 160 -11.157 5.643 9.979 1.00 0.02 C ATOM 2557 C VAL A 160 -10.392 4.388 10.401 1.00 0.02 C ATOM 2558 O VAL A 160 -9.188 4.407 10.554 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.416 6.527 11.198 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -10.114 7.213 11.617 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.461 7.589 10.848 1.00 0.74 C ATOM 0 H VAL A 160 -13.288 5.583 9.860 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.571 6.203 9.251 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.784 5.912 12.019 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -10.299 7.844 12.487 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.369 6.458 11.868 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.745 7.827 10.795 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.645 8.219 11.718 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -12.094 8.204 10.026 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.389 7.102 10.550 1.00 0.74 H new ATOM 2571 N ASP A 161 -11.074 3.289 10.584 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.359 2.048 10.986 1.00 0.01 C ATOM 2573 C ASP A 161 -9.432 1.597 9.850 1.00 0.01 C ATOM 2574 O ASP A 161 -8.531 0.805 10.048 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.374 0.939 11.277 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.672 -0.223 11.981 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.515 -0.065 12.335 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.304 -1.253 12.155 1.00 0.00 O ATOM 0 H ASP A 161 -12.084 3.199 10.474 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.771 2.249 11.881 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -12.180 1.324 11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.828 0.594 10.348 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.635 2.118 8.663 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.757 1.747 7.508 1.00 0.01 C ATOM 2585 C TRP A 162 -7.648 2.803 7.399 1.00 0.01 C ATOM 2586 O TRP A 162 -6.899 2.817 6.443 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.584 1.783 6.189 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.823 0.426 5.577 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.004 -0.661 5.627 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.964 0.031 4.761 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.593 -1.692 4.913 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.798 -1.314 4.362 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.123 0.709 4.343 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.749 -1.963 3.572 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.080 0.061 3.547 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -12.893 -1.271 3.162 1.00 0.01 C ATOM 0 H TRP A 162 -10.374 2.786 8.444 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.346 0.749 7.661 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.546 2.255 6.388 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -9.065 2.411 5.464 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.054 -0.711 6.138 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.183 -2.620 4.808 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.278 1.737 4.637 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.602 -2.992 3.280 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.965 0.593 3.230 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.632 -1.765 2.548 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.517 3.674 8.356 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.440 4.694 8.270 1.00 0.01 C ATOM 2609 C GLY A 163 -6.846 5.794 7.288 1.00 0.01 C ATOM 2610 O GLY A 163 -6.045 6.617 6.891 1.00 0.01 O ATOM 0 H GLY A 163 -8.104 3.724 9.188 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.254 5.123 9.254 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.510 4.228 7.944 1.00 0.01 H new ATOM 2614 N ALA A 164 -8.087 5.792 6.871 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.560 6.811 5.883 1.00 0.02 C ATOM 2616 C ALA A 164 -9.302 7.937 6.601 1.00 0.01 C ATOM 2617 O ALA A 164 -10.037 7.720 7.544 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.538 6.137 4.921 1.00 0.01 C ATOM 0 H ALA A 164 -8.797 5.125 7.174 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.701 7.220 5.351 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.893 6.866 4.193 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -9.034 5.322 4.402 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.385 5.741 5.481 1.00 0.01 H new ATOM 2624 N ALA A 165 -9.115 9.144 6.142 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.800 10.310 6.766 1.00 0.01 C ATOM 2626 C ALA A 165 -11.203 10.463 6.175 1.00 0.02 C ATOM 2627 O ALA A 165 -11.999 11.244 6.656 1.00 0.01 O ATOM 2628 CB ALA A 165 -9.002 11.585 6.493 1.00 0.59 C ATOM 0 H ALA A 165 -8.511 9.374 5.353 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.871 10.145 7.841 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.507 12.435 6.951 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -8.002 11.486 6.915 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.927 11.744 5.417 1.00 0.59 H new ATOM 2634 N SER A 166 -11.528 9.716 5.147 1.00 0.01 N ATOM 2635 CA SER A 166 -12.892 9.808 4.539 1.00 0.01 C ATOM 2636 C SER A 166 -13.316 8.400 4.069 1.00 0.02 C ATOM 2637 O SER A 166 -12.470 7.601 3.719 1.00 0.01 O ATOM 2638 CB SER A 166 -12.853 10.755 3.339 1.00 0.72 C ATOM 2639 OG SER A 166 -12.402 10.045 2.194 1.00 0.87 O ATOM 0 H SER A 166 -10.904 9.044 4.701 1.00 0.01 H new ATOM 0 HA SER A 166 -13.603 10.188 5.272 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.844 11.170 3.156 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.189 11.594 3.545 1.00 0.72 H new ATOM 0 HG SER A 166 -12.378 10.649 1.423 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.597 8.080 4.041 1.00 0.02 N ATOM 2646 CA PRO A 167 -15.037 6.727 3.580 1.00 0.01 C ATOM 2647 C PRO A 167 -14.974 6.580 2.052 1.00 0.01 C ATOM 2648 O PRO A 167 -15.664 5.760 1.473 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.495 6.697 4.064 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.950 8.154 4.223 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.693 9.006 4.465 1.00 0.22 C ATOM 0 HA PRO A 167 -14.410 5.920 3.959 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.127 6.172 3.348 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.575 6.163 5.011 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.476 8.491 3.330 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.645 8.250 5.057 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.703 9.923 3.875 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.596 9.301 5.510 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.190 7.389 1.389 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.140 7.302 -0.101 1.00 0.01 C ATOM 2661 C ALA A 168 -13.185 6.199 -0.579 1.00 0.01 C ATOM 2662 O ALA A 168 -12.013 6.167 -0.264 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.666 8.644 -0.662 1.00 0.18 C ATOM 0 H ALA A 168 -13.589 8.098 1.808 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.141 7.060 -0.457 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.626 8.590 -1.750 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.360 9.429 -0.363 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.673 8.870 -0.274 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.727 5.309 -1.364 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.947 4.173 -1.940 1.00 0.01 C ATOM 2671 C ILE A 169 -13.533 3.907 -3.327 1.00 0.01 C ATOM 2672 O ILE A 169 -14.728 3.737 -3.464 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.129 2.936 -1.042 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.666 3.283 0.383 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.327 1.726 -1.593 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.674 2.020 1.247 1.00 3.99 C ATOM 0 H ILE A 169 -14.709 5.322 -1.639 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.883 4.399 -2.004 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.182 2.655 -1.029 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.664 3.711 0.357 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.323 4.037 0.817 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.473 0.865 -0.940 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.677 1.484 -2.596 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.267 1.978 -1.630 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.346 2.268 2.256 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.684 1.611 1.284 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.998 1.281 0.817 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.721 3.915 -4.367 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.258 3.711 -5.754 1.00 0.01 C ATOM 2690 C GLN A 170 -12.828 2.376 -6.372 1.00 0.02 C ATOM 2691 O GLN A 170 -13.468 1.916 -7.296 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.774 4.850 -6.654 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.239 6.189 -6.079 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.755 6.312 -6.239 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.505 5.902 -5.376 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.241 6.861 -7.319 1.00 5.17 N ATOM 0 H GLN A 170 -11.712 4.054 -4.312 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.345 3.701 -5.677 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.687 4.832 -6.728 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.164 4.721 -7.663 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -12.967 6.259 -5.026 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.740 7.011 -6.593 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -14.611 7.205 -8.044 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.250 6.946 -7.438 1.00 5.17 H new ATOM 2705 N SER A 171 -11.787 1.719 -5.919 1.00 0.01 N ATOM 2706 CA SER A 171 -11.429 0.419 -6.577 1.00 0.01 C ATOM 2707 C SER A 171 -10.593 -0.436 -5.620 1.00 0.01 C ATOM 2708 O SER A 171 -9.984 0.063 -4.695 1.00 0.01 O ATOM 2709 CB SER A 171 -10.626 0.694 -7.850 1.00 0.01 C ATOM 2710 OG SER A 171 -9.242 0.738 -7.530 1.00 0.02 O ATOM 0 H SER A 171 -11.186 2.012 -5.148 1.00 0.01 H new ATOM 0 HA SER A 171 -12.343 -0.117 -6.831 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.816 -0.084 -8.589 1.00 0.01 H new ATOM 0 HB3 SER A 171 -10.939 1.639 -8.294 1.00 0.01 H new ATOM 0 HG SER A 171 -8.872 1.606 -7.796 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.530 -1.726 -5.856 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.700 -2.601 -4.971 1.00 0.01 C ATOM 2718 C PHE A 172 -9.218 -3.836 -5.740 1.00 0.01 C ATOM 2719 O PHE A 172 -9.823 -4.253 -6.711 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.488 -3.021 -3.721 1.00 1.06 C ATOM 2721 CG PHE A 172 -11.808 -3.659 -4.094 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -11.842 -4.967 -4.592 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.002 -2.949 -3.912 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.067 -5.560 -4.914 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.226 -3.546 -4.231 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.259 -4.850 -4.732 1.00 1.92 C ATOM 0 H PHE A 172 -11.013 -2.206 -6.616 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.830 -2.030 -4.648 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -9.896 -3.722 -3.133 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.668 -2.150 -3.091 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -10.923 -5.518 -4.727 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -12.977 -1.941 -3.525 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.093 -6.567 -5.304 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.146 -2.999 -4.090 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.205 -5.310 -4.979 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.118 -4.416 -5.323 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.572 -5.615 -6.041 1.00 0.01 C ATOM 2738 C ARG A 173 -6.943 -6.599 -5.051 1.00 0.01 C ATOM 2739 O ARG A 173 -6.446 -6.223 -4.008 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.473 -5.174 -7.013 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.056 -4.298 -8.126 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.086 -4.273 -9.317 1.00 0.01 C ATOM 2743 NE ARG A 173 -6.231 -5.531 -10.101 1.00 0.01 N ATOM 2744 CZ ARG A 173 -5.734 -5.609 -11.305 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -5.107 -4.586 -11.822 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -5.865 -6.710 -11.993 1.00 0.01 N ATOM 0 H ARG A 173 -7.573 -4.112 -4.516 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.396 -6.094 -6.570 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.704 -4.622 -6.474 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -5.991 -6.050 -7.447 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.025 -4.687 -8.440 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.223 -3.286 -7.757 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.293 -3.411 -9.951 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.061 -4.169 -8.963 1.00 0.01 H new ATOM 0 HE ARG A 173 -6.718 -6.331 -9.697 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -5.006 -3.725 -11.284 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -4.719 -4.648 -12.763 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -6.355 -7.508 -11.590 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -5.477 -6.772 -12.934 1.00 0.01 H new ATOM 2760 N ARG A 174 -6.951 -7.861 -5.393 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.344 -8.899 -4.509 1.00 0.01 C ATOM 2762 C ARG A 174 -4.855 -9.045 -4.852 1.00 0.01 C ATOM 2763 O ARG A 174 -4.464 -8.945 -5.998 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.037 -10.244 -4.735 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.156 -10.513 -6.236 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.640 -11.946 -6.460 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.786 -12.199 -7.920 1.00 0.01 N ATOM 2768 CZ ARG A 174 -7.899 -13.422 -8.361 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -7.883 -14.421 -7.522 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -8.023 -13.646 -9.640 1.00 0.01 N ATOM 0 H ARG A 174 -7.357 -8.220 -6.257 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.463 -8.598 -3.468 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.470 -11.042 -4.256 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.026 -10.237 -4.277 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.853 -9.807 -6.689 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.191 -10.364 -6.721 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -6.932 -12.652 -6.027 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.594 -12.102 -5.956 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.798 -11.417 -8.575 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -7.782 -14.246 -6.522 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -7.971 -15.377 -7.866 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -8.032 -12.865 -10.296 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.111 -14.602 -9.984 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.024 -9.300 -3.872 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.563 -9.475 -4.159 1.00 0.01 C ATOM 2786 C ILE A 175 -2.250 -10.963 -4.310 1.00 0.00 C ATOM 2787 O ILE A 175 -2.591 -11.763 -3.460 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.711 -8.911 -3.018 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.202 -7.511 -2.641 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.250 -8.830 -3.477 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.238 -6.889 -1.624 1.00 3.04 C ATOM 0 H ILE A 175 -4.290 -9.394 -2.892 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.329 -8.938 -5.078 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.793 -9.564 -2.149 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.264 -6.884 -3.530 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.206 -7.567 -2.220 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.363 -8.429 -2.670 1.00 1.75 H new ATOM 0 HG22 ILE A 175 0.104 -9.826 -3.741 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.177 -8.177 -4.346 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.587 -5.892 -1.355 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.199 -7.513 -0.731 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.242 -6.819 -2.062 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.599 -11.345 -5.379 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.253 -12.786 -5.588 1.00 0.00 C ATOM 2805 C VAL A 176 0.187 -12.892 -6.099 1.00 0.01 C ATOM 2806 O VAL A 176 0.655 -12.037 -6.823 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.190 -13.397 -6.631 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -3.604 -13.484 -6.057 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -2.202 -12.516 -7.882 1.00 1.89 C ATOM 0 H VAL A 176 -1.290 -10.717 -6.121 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.357 -13.319 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 176 -1.842 -14.396 -6.892 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -4.272 -13.919 -6.800 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -3.597 -14.110 -5.165 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -3.953 -12.485 -5.796 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -2.869 -12.950 -8.626 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -2.551 -11.517 -7.620 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -1.194 -12.452 -8.292 1.00 1.89 H new ATOM 2819 N GLU A 177 0.882 -13.940 -5.725 1.00 0.01 N ATOM 2820 CA GLU A 177 2.301 -14.147 -6.167 1.00 0.01 C ATOM 2821 C GLU A 177 3.040 -12.807 -6.272 1.00 0.01 C ATOM 2822 CB GLU A 177 2.331 -14.867 -7.524 1.00 2.15 C ATOM 2823 CG GLU A 177 1.540 -14.075 -8.571 1.00 3.19 C ATOM 2824 CD GLU A 177 1.794 -14.672 -9.957 1.00 4.20 C ATOM 2825 OE1 GLU A 177 1.958 -15.879 -10.041 1.00 4.89 O ATOM 2826 OE2 GLU A 177 1.823 -13.912 -10.911 1.00 4.77 O ATOM 0 H GLU A 177 0.519 -14.676 -5.120 1.00 0.01 H new ATOM 0 HA GLU A 177 2.805 -14.763 -5.422 1.00 0.01 H new ATOM 0 HB2 GLU A 177 3.362 -14.989 -7.855 1.00 2.15 H new ATOM 0 HB3 GLU A 177 1.909 -15.867 -7.421 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.475 -14.106 -8.339 1.00 3.19 H new ATOM 0 HG3 GLU A 177 1.840 -13.027 -8.554 1.00 3.19 H new TER 2833 GLU A 177