USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1051 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 118 TYR OH : rot -133:sc= 0.532 USER MOD Set 2.1: A 11 ASN : amide:sc= -0.077 K(o=-3.4,f=-4.4) USER MOD Set 2.2: A 14 HIS : no HE2:sc= -2.15! C(o=-3.4!,f=-9.4!) USER MOD Set 2.3: A 107 ASN : amide:sc= -1.17! C(o=-3.4!,f=-7.4!) USER MOD Set 3.1: A 85 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.3!) USER MOD Set 3.2: A 86 HIS : no HD1:sc= 0 X(o=-0.13,f=-0.13) USER MOD Set 4.1: A 38 GLN :FLIP amide:sc= 0.629 F(o=-2.5!,f=1.6) USER MOD Set 4.2: A 40 SER OG : rot 66:sc= 0.933 USER MOD Set 5.1: A 10 SER OG : rot -97:sc= 1.39 USER MOD Set 5.2: A 106 LYS NZ :NH3+ 159:sc= -2.96! (180deg=-3.81!) USER MOD Set 6.1: A 1 TYR OH : rot 166:sc= 0.00361 USER MOD Set 6.2: A 2 LYS NZ :NH3+ -160:sc= 1.11 (180deg=0.724) USER MOD Set 7.1: A 1 TYR N :NH3+ -164:sc= 2.28 (180deg=0.973) USER MOD Set 7.2: A 132 SER OG : rot 180:sc= 1.09 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= -5.86! (180deg=-6.92!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 132:sc= -5.16! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 70:sc= 0.787 USER MOD Single : A 31 SER OG : rot -30:sc= 0.0578 USER MOD Single : A 33 GLN : amide:sc= 0.121 K(o=0.12,f=-0.53) USER MOD Single : A 34 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5!) USER MOD Single : A 36 GLN : amide:sc= -2.23! C(o=-2.2!,f=-4.9!) USER MOD Single : A 43 SER OG : rot 111:sc= 0.67 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.445 USER MOD Single : A 52 THR OG1 : rot 95:sc= -0.78 USER MOD Single : A 54 THR OG1 : rot 175:sc= 0.754 USER MOD Single : A 56 GLN :FLIP amide:sc= -9.15! C(o=-10!,f=-9.1!) USER MOD Single : A 57 TYR OH : rot -69:sc= 0.732 USER MOD Single : A 60 MET CE :methyl -143:sc= -4.25! (180deg=-6.61!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -92:sc= -0.346 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.2) USER MOD Single : A 76 CYS SG : rot -107:sc= -0.673 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.492 F(o=-1.1,f=-0.49) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 43:sc= -0.953 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= -0.0378 (180deg=-0.282) USER MOD Single : A 94 LYS NZ :NH3+ 148:sc= 1.21 (180deg=1.15) USER MOD Single : A 95 HIS : no HE2:sc= -2.2! C(o=-2.2!,f=-6.6!) USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= 1.14 (180deg=0.786) USER MOD Single : A 99 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.063) USER MOD Single : A 105 LYS NZ :NH3+ -148:sc= -0.174 (180deg=-0.956) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0498 USER MOD Single : A 110 CYS SG : rot 9:sc= -13.7! USER MOD Single : A 111 LYS NZ :NH3+ 166:sc= -0.0175 (180deg=-0.163) USER MOD Single : A 116 THR OG1 : rot -92:sc= 1.29 USER MOD Single : A 117 HIS : no HD1:sc= -0.385 X(o=-0.39,f=-0.2) USER MOD Single : A 120 GLN :FLIP amide:sc= -0.0768 F(o=-1.1,f=-0.077) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.779 -7.659 9.114 1.00 2.41 N ATOM 2 CA TYR A 1 16.776 -6.576 8.995 1.00 2.09 C ATOM 3 C TYR A 1 16.098 -5.227 9.199 1.00 2.03 C ATOM 4 O TYR A 1 16.430 -4.482 10.121 1.00 2.57 O ATOM 5 CB TYR A 1 17.467 -6.635 7.629 1.00 2.90 C ATOM 6 CG TYR A 1 18.317 -5.423 7.330 1.00 3.87 C ATOM 7 CD1 TYR A 1 19.486 -5.171 8.036 1.00 4.39 C ATOM 8 CD2 TYR A 1 17.931 -4.520 6.354 1.00 4.74 C ATOM 9 CE1 TYR A 1 20.247 -4.047 7.771 1.00 5.57 C ATOM 10 CE2 TYR A 1 18.680 -3.397 6.086 1.00 5.86 C ATOM 11 CZ TYR A 1 19.836 -3.164 6.795 1.00 6.21 C ATOM 12 OH TYR A 1 20.570 -2.037 6.529 1.00 7.47 O ATOM 0 H1 TYR A 1 16.267 -8.568 9.246 1.00 2.41 H new ATOM 0 H2 TYR A 1 15.163 -7.475 9.931 1.00 2.41 H new ATOM 0 H3 TYR A 1 15.204 -7.698 8.248 1.00 2.41 H new ATOM 0 HA TYR A 1 17.537 -6.705 9.765 1.00 2.09 H new ATOM 0 HB2 TYR A 1 18.092 -7.527 7.585 1.00 2.90 H new ATOM 0 HB3 TYR A 1 16.710 -6.738 6.852 1.00 2.90 H new ATOM 0 HD1 TYR A 1 19.805 -5.862 8.802 1.00 4.39 H new ATOM 0 HD2 TYR A 1 17.026 -4.700 5.793 1.00 4.74 H new ATOM 0 HE1 TYR A 1 21.156 -3.862 8.324 1.00 5.57 H new ATOM 0 HE2 TYR A 1 18.362 -2.702 5.323 1.00 5.86 H new ATOM 0 HH TYR A 1 20.279 -1.651 5.676 1.00 7.47 H new ATOM 24 N LYS A 2 15.147 -4.916 8.335 1.00 2.03 N ATOM 25 CA LYS A 2 14.308 -3.752 8.529 1.00 2.09 C ATOM 26 C LYS A 2 12.853 -4.169 8.460 1.00 1.28 C ATOM 27 O LYS A 2 12.468 -4.982 7.622 1.00 1.83 O ATOM 28 CB LYS A 2 14.574 -2.679 7.462 1.00 3.32 C ATOM 29 CG LYS A 2 15.841 -1.858 7.671 1.00 4.26 C ATOM 30 CD LYS A 2 15.849 -0.637 6.754 1.00 5.27 C ATOM 31 CE LYS A 2 17.036 0.283 7.014 1.00 6.31 C ATOM 32 NZ LYS A 2 18.282 -0.187 6.353 1.00 6.96 N ATOM 0 H LYS A 2 14.939 -5.454 7.494 1.00 2.03 H new ATOM 0 HA LYS A 2 14.540 -3.327 9.505 1.00 2.09 H new ATOM 0 HB2 LYS A 2 14.631 -3.164 6.488 1.00 3.32 H new ATOM 0 HB3 LYS A 2 13.721 -2.001 7.431 1.00 3.32 H new ATOM 0 HG2 LYS A 2 15.906 -1.539 8.711 1.00 4.26 H new ATOM 0 HG3 LYS A 2 16.717 -2.475 7.472 1.00 4.26 H new ATOM 0 HD2 LYS A 2 15.871 -0.967 5.715 1.00 5.27 H new ATOM 0 HD3 LYS A 2 14.924 -0.078 6.892 1.00 5.27 H new ATOM 0 HE2 LYS A 2 16.798 1.286 6.660 1.00 6.31 H new ATOM 0 HE3 LYS A 2 17.205 0.356 8.088 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 19.106 0.250 6.814 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 18.349 -1.222 6.434 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 18.265 0.081 5.348 1.00 6.96 H new ATOM 46 N LYS A 3 12.049 -3.590 9.327 1.00 0.93 N ATOM 47 CA LYS A 3 10.614 -3.785 9.273 1.00 0.96 C ATOM 48 C LYS A 3 9.944 -2.794 8.318 1.00 0.78 C ATOM 49 O LYS A 3 8.797 -3.015 7.923 1.00 1.17 O ATOM 50 CB LYS A 3 10.003 -3.737 10.671 1.00 1.91 C ATOM 51 CG LYS A 3 10.599 -2.675 11.573 1.00 2.62 C ATOM 52 CD LYS A 3 10.219 -2.910 13.023 1.00 3.43 C ATOM 53 CE LYS A 3 11.027 -2.029 13.955 1.00 4.25 C ATOM 54 NZ LYS A 3 10.771 -2.347 15.383 1.00 4.81 N ATOM 0 H LYS A 3 12.365 -2.979 10.080 1.00 0.93 H new ATOM 0 HA LYS A 3 10.428 -4.781 8.870 1.00 0.96 H new ATOM 0 HB2 LYS A 3 8.931 -3.562 10.581 1.00 1.91 H new ATOM 0 HB3 LYS A 3 10.128 -4.711 11.144 1.00 1.91 H new ATOM 0 HG2 LYS A 3 11.684 -2.677 11.474 1.00 2.62 H new ATOM 0 HG3 LYS A 3 10.252 -1.691 11.258 1.00 2.62 H new ATOM 0 HD2 LYS A 3 9.156 -2.709 13.160 1.00 3.43 H new ATOM 0 HD3 LYS A 3 10.381 -3.957 13.278 1.00 3.43 H new ATOM 0 HE2 LYS A 3 12.089 -2.152 13.741 1.00 4.25 H new ATOM 0 HE3 LYS A 3 10.783 -0.983 13.767 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 11.343 -1.722 15.986 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 9.763 -2.205 15.595 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 11.028 -3.337 15.569 1.00 4.81 H new ATOM 68 N PRO A 4 10.608 -1.661 7.957 1.00 0.45 N ATOM 69 CA PRO A 4 10.302 -0.973 6.714 1.00 0.41 C ATOM 70 C PRO A 4 10.083 -1.982 5.587 1.00 0.39 C ATOM 71 O PRO A 4 11.011 -2.657 5.141 1.00 0.53 O ATOM 72 CB PRO A 4 11.560 -0.149 6.472 1.00 0.59 C ATOM 73 CG PRO A 4 12.059 0.197 7.831 1.00 0.72 C ATOM 74 CD PRO A 4 11.602 -0.903 8.755 1.00 0.80 C ATOM 0 HA PRO A 4 9.394 -0.371 6.756 1.00 0.41 H new ATOM 0 HB2 PRO A 4 12.302 -0.717 5.911 1.00 0.59 H new ATOM 0 HB3 PRO A 4 11.340 0.747 5.892 1.00 0.59 H new ATOM 0 HG2 PRO A 4 13.146 0.279 7.835 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.666 1.161 8.153 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.434 -1.537 9.061 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.158 -0.500 9.665 1.00 0.80 H new ATOM 82 N LYS A 5 8.846 -2.084 5.151 1.00 0.38 N ATOM 83 CA LYS A 5 8.417 -3.149 4.265 1.00 0.38 C ATOM 84 C LYS A 5 8.330 -2.675 2.821 1.00 0.35 C ATOM 85 O LYS A 5 8.051 -1.507 2.554 1.00 0.40 O ATOM 86 CB LYS A 5 7.045 -3.652 4.732 1.00 0.44 C ATOM 87 CG LYS A 5 6.432 -4.723 3.846 1.00 1.16 C ATOM 88 CD LYS A 5 4.932 -4.532 3.687 1.00 1.64 C ATOM 89 CE LYS A 5 4.591 -3.415 2.700 1.00 2.57 C ATOM 90 NZ LYS A 5 4.992 -2.066 3.192 1.00 3.33 N ATOM 0 H LYS A 5 8.105 -1.429 5.401 1.00 0.38 H new ATOM 0 HA LYS A 5 9.152 -3.953 4.302 1.00 0.38 H new ATOM 0 HB2 LYS A 5 7.142 -4.047 5.743 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.360 -2.806 4.784 1.00 0.44 H new ATOM 0 HG2 LYS A 5 6.908 -4.700 2.865 1.00 1.16 H new ATOM 0 HG3 LYS A 5 6.630 -5.706 4.273 1.00 1.16 H new ATOM 0 HD2 LYS A 5 4.483 -5.465 3.346 1.00 1.64 H new ATOM 0 HD3 LYS A 5 4.492 -4.303 4.658 1.00 1.64 H new ATOM 0 HE2 LYS A 5 5.087 -3.612 1.750 1.00 2.57 H new ATOM 0 HE3 LYS A 5 3.518 -3.422 2.507 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 4.399 -1.341 2.740 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 4.867 -2.022 4.224 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 5.990 -1.893 2.956 1.00 3.33 H new ATOM 104 N LEU A 6 8.498 -3.616 1.909 1.00 0.35 N ATOM 105 CA LEU A 6 8.431 -3.357 0.477 1.00 0.37 C ATOM 106 C LEU A 6 7.038 -3.721 -0.004 1.00 0.37 C ATOM 107 O LEU A 6 6.484 -4.749 0.395 1.00 0.46 O ATOM 108 CB LEU A 6 9.515 -4.186 -0.251 1.00 0.51 C ATOM 109 CG LEU A 6 9.583 -4.107 -1.796 1.00 0.64 C ATOM 110 CD1 LEU A 6 8.512 -4.969 -2.456 1.00 1.24 C ATOM 111 CD2 LEU A 6 9.475 -2.672 -2.280 1.00 1.49 C ATOM 0 H LEU A 6 8.687 -4.591 2.141 1.00 0.35 H new ATOM 0 HA LEU A 6 8.619 -2.305 0.261 1.00 0.37 H new ATOM 0 HB2 LEU A 6 10.486 -3.882 0.141 1.00 0.51 H new ATOM 0 HB3 LEU A 6 9.374 -5.232 0.023 1.00 0.51 H new ATOM 0 HG LEU A 6 10.557 -4.499 -2.089 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.594 -4.885 -3.540 1.00 1.24 H new ATOM 0 HD12 LEU A 6 8.649 -6.009 -2.161 1.00 1.24 H new ATOM 0 HD13 LEU A 6 7.526 -4.629 -2.140 1.00 1.24 H new ATOM 0 HD21 LEU A 6 9.526 -2.650 -3.369 1.00 1.49 H new ATOM 0 HD22 LEU A 6 8.526 -2.248 -1.953 1.00 1.49 H new ATOM 0 HD23 LEU A 6 10.296 -2.086 -1.867 1.00 1.49 H new ATOM 123 N LEU A 7 6.459 -2.869 -0.826 1.00 0.36 N ATOM 124 CA LEU A 7 5.122 -3.106 -1.325 1.00 0.39 C ATOM 125 C LEU A 7 5.156 -3.755 -2.688 1.00 0.41 C ATOM 126 O LEU A 7 5.635 -3.168 -3.663 1.00 0.58 O ATOM 127 CB LEU A 7 4.332 -1.816 -1.404 1.00 0.55 C ATOM 128 CG LEU A 7 2.915 -1.981 -1.936 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.942 -1.309 -0.985 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.808 -1.416 -3.345 1.00 1.25 C ATOM 0 H LEU A 7 6.893 -2.009 -1.161 1.00 0.36 H new ATOM 0 HA LEU A 7 4.632 -3.781 -0.623 1.00 0.39 H new ATOM 0 HB2 LEU A 7 4.285 -1.371 -0.410 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.868 -1.114 -2.043 1.00 0.55 H new ATOM 0 HG LEU A 7 2.663 -3.040 -1.994 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.926 -1.425 -1.362 1.00 1.53 H new ATOM 0 HD12 LEU A 7 2.018 -1.770 -0.000 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.182 -0.248 -0.908 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.789 -1.542 -3.711 1.00 1.25 H new ATOM 0 HD22 LEU A 7 3.061 -0.356 -3.332 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.498 -1.945 -4.003 1.00 1.25 H new ATOM 142 N TYR A 8 4.642 -4.963 -2.739 1.00 0.50 N ATOM 143 CA TYR A 8 4.585 -5.717 -3.973 1.00 0.71 C ATOM 144 C TYR A 8 3.153 -6.230 -4.245 1.00 0.44 C ATOM 145 O TYR A 8 2.773 -7.285 -3.770 1.00 0.73 O ATOM 146 CB TYR A 8 5.560 -6.903 -3.821 1.00 1.29 C ATOM 147 CG TYR A 8 6.067 -7.520 -5.107 1.00 1.60 C ATOM 148 CD1 TYR A 8 7.125 -6.952 -5.800 1.00 2.21 C ATOM 149 CD2 TYR A 8 5.469 -8.658 -5.638 1.00 1.84 C ATOM 150 CE1 TYR A 8 7.581 -7.504 -6.982 1.00 2.93 C ATOM 151 CE2 TYR A 8 5.919 -9.215 -6.821 1.00 2.43 C ATOM 152 CZ TYR A 8 7.023 -8.673 -7.452 1.00 2.96 C ATOM 153 OH TYR A 8 7.435 -9.188 -8.664 1.00 3.74 O ATOM 0 H TYR A 8 4.253 -5.450 -1.931 1.00 0.50 H new ATOM 0 HA TYR A 8 4.863 -5.086 -4.817 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.419 -6.568 -3.240 1.00 1.29 H new ATOM 0 HB3 TYR A 8 5.065 -7.681 -3.239 1.00 1.29 H new ATOM 0 HD1 TYR A 8 7.600 -6.064 -5.410 1.00 2.21 H new ATOM 0 HD2 TYR A 8 4.640 -9.114 -5.118 1.00 1.84 H new ATOM 0 HE1 TYR A 8 8.372 -7.021 -7.536 1.00 2.93 H new ATOM 0 HE2 TYR A 8 5.412 -10.067 -7.249 1.00 2.43 H new ATOM 0 HH TYR A 8 6.946 -10.016 -8.851 1.00 3.74 H new ATOM 163 N CYS A 9 2.393 -5.498 -5.068 1.00 0.63 N ATOM 164 CA CYS A 9 1.107 -5.975 -5.604 1.00 0.75 C ATOM 165 C CYS A 9 1.255 -6.054 -7.117 1.00 1.05 C ATOM 166 O CYS A 9 1.670 -5.094 -7.756 1.00 1.99 O ATOM 167 CB CYS A 9 -0.046 -5.050 -5.205 1.00 1.57 C ATOM 168 SG CYS A 9 0.112 -3.353 -5.797 1.00 2.64 S ATOM 0 H CYS A 9 2.648 -4.562 -5.382 1.00 0.63 H new ATOM 0 HA CYS A 9 0.864 -6.954 -5.191 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.978 -5.468 -5.585 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -0.123 -5.036 -4.118 1.00 1.57 H new ATOM 0 HG CYS A 9 -1.005 -2.980 -6.347 1.00 2.64 H new ATOM 174 N SER A 10 0.939 -7.175 -7.710 1.00 0.83 N ATOM 175 CA SER A 10 1.710 -7.560 -8.867 1.00 1.29 C ATOM 176 C SER A 10 1.007 -7.547 -10.210 1.00 0.84 C ATOM 177 O SER A 10 0.099 -8.327 -10.497 1.00 1.34 O ATOM 178 CB SER A 10 2.287 -8.949 -8.619 1.00 2.36 C ATOM 179 OG SER A 10 2.989 -8.980 -7.389 1.00 3.16 O ATOM 0 H SER A 10 0.192 -7.811 -7.432 1.00 0.83 H new ATOM 0 HA SER A 10 2.468 -6.782 -8.963 1.00 1.29 H new ATOM 0 HB2 SER A 10 1.484 -9.686 -8.605 1.00 2.36 H new ATOM 0 HB3 SER A 10 2.957 -9.222 -9.434 1.00 2.36 H new ATOM 0 HG SER A 10 3.947 -8.857 -7.556 1.00 3.16 H new ATOM 185 N ASN A 11 1.468 -6.595 -10.996 1.00 1.45 N ATOM 186 CA ASN A 11 1.825 -6.797 -12.380 1.00 1.79 C ATOM 187 C ASN A 11 3.351 -6.885 -12.320 1.00 1.40 C ATOM 188 O ASN A 11 3.921 -6.466 -11.306 1.00 1.83 O ATOM 189 CB ASN A 11 1.336 -5.660 -13.282 1.00 2.89 C ATOM 190 CG ASN A 11 1.566 -5.944 -14.758 1.00 3.45 C ATOM 191 OD1 ASN A 11 2.625 -5.635 -15.308 1.00 3.71 O ATOM 192 ND2 ASN A 11 0.576 -6.532 -15.414 1.00 4.02 N ATOM 0 H ASN A 11 1.607 -5.636 -10.679 1.00 1.45 H new ATOM 0 HA ASN A 11 1.363 -7.681 -12.819 1.00 1.79 H new ATOM 0 HB2 ASN A 11 0.272 -5.496 -13.109 1.00 2.89 H new ATOM 0 HB3 ASN A 11 1.849 -4.738 -13.009 1.00 2.89 H new ATOM 0 HD21 ASN A 11 0.677 -6.743 -16.407 1.00 4.02 H new ATOM 0 HD22 ASN A 11 -0.287 -6.773 -14.926 1.00 4.02 H new ATOM 199 N GLY A 12 4.010 -7.415 -13.339 1.00 1.41 N ATOM 200 CA GLY A 12 5.386 -7.899 -13.184 1.00 1.36 C ATOM 201 C GLY A 12 6.471 -6.849 -12.882 1.00 1.49 C ATOM 202 O GLY A 12 7.307 -6.547 -13.734 1.00 2.34 O ATOM 0 H GLY A 12 3.624 -7.523 -14.277 1.00 1.41 H new ATOM 0 HA2 GLY A 12 5.396 -8.636 -12.381 1.00 1.36 H new ATOM 0 HA3 GLY A 12 5.666 -8.420 -14.099 1.00 1.36 H new ATOM 206 N GLY A 13 6.443 -6.303 -11.663 1.00 0.97 N ATOM 207 CA GLY A 13 7.622 -5.685 -11.050 1.00 1.26 C ATOM 208 C GLY A 13 7.732 -4.168 -11.157 1.00 0.84 C ATOM 209 O GLY A 13 8.395 -3.642 -12.048 1.00 0.89 O ATOM 0 H GLY A 13 5.609 -6.277 -11.077 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.637 -5.954 -9.994 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.511 -6.124 -11.503 1.00 1.26 H new ATOM 213 N HIS A 14 7.065 -3.472 -10.241 1.00 0.78 N ATOM 214 CA HIS A 14 7.351 -2.096 -9.894 1.00 0.61 C ATOM 215 C HIS A 14 7.384 -2.038 -8.370 1.00 0.61 C ATOM 216 O HIS A 14 7.008 -3.009 -7.737 1.00 0.92 O ATOM 217 CB HIS A 14 6.327 -1.144 -10.504 1.00 0.85 C ATOM 218 CG HIS A 14 6.620 -0.793 -11.935 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.261 -1.589 -13.003 1.00 1.31 N ATOM 220 CD2 HIS A 14 7.255 0.276 -12.469 1.00 1.07 C ATOM 221 CE1 HIS A 14 6.661 -1.022 -14.126 1.00 1.17 C ATOM 222 NE2 HIS A 14 7.266 0.109 -13.828 1.00 0.95 N ATOM 0 H HIS A 14 6.290 -3.867 -9.708 1.00 0.78 H new ATOM 0 HA HIS A 14 8.308 -1.770 -10.300 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.338 -1.598 -10.444 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.294 -0.229 -9.912 1.00 0.85 H new ATOM 0 HD1 HIS A 14 5.764 -2.477 -12.935 1.00 1.31 H new ATOM 0 HD2 HIS A 14 7.676 1.108 -11.924 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.517 -1.418 -15.120 1.00 1.17 H new ATOM 231 N PHE A 15 7.846 -0.967 -7.766 1.00 0.49 N ATOM 232 CA PHE A 15 7.907 -0.906 -6.311 1.00 0.45 C ATOM 233 C PHE A 15 7.356 0.425 -5.847 1.00 0.39 C ATOM 234 O PHE A 15 7.725 1.460 -6.397 1.00 0.41 O ATOM 235 CB PHE A 15 9.348 -1.082 -5.813 1.00 0.51 C ATOM 236 CG PHE A 15 9.976 -2.389 -6.213 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.525 -3.582 -5.674 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.013 -2.422 -7.130 1.00 1.15 C ATOM 239 CE1 PHE A 15 10.099 -4.784 -6.042 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.590 -3.620 -7.501 1.00 1.62 C ATOM 241 CZ PHE A 15 11.136 -4.804 -6.947 1.00 1.82 C ATOM 0 H PHE A 15 8.183 -0.132 -8.246 1.00 0.49 H new ATOM 0 HA PHE A 15 7.308 -1.718 -5.899 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.957 -0.264 -6.198 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.359 -1.003 -4.726 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.716 -3.573 -4.958 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.375 -1.500 -7.560 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.734 -5.708 -5.619 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.394 -3.633 -8.222 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.594 -5.742 -7.224 1.00 1.82 H new ATOM 251 N LEU A 16 6.561 0.413 -4.787 1.00 0.43 N ATOM 252 CA LEU A 16 5.844 1.603 -4.371 1.00 0.50 C ATOM 253 C LEU A 16 6.767 2.550 -3.624 1.00 0.48 C ATOM 254 O LEU A 16 7.449 2.199 -2.661 1.00 0.64 O ATOM 255 CB LEU A 16 4.665 1.179 -3.490 1.00 0.75 C ATOM 256 CG LEU A 16 3.887 2.287 -2.783 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.435 1.872 -2.598 1.00 2.23 C ATOM 258 CD2 LEU A 16 4.501 2.594 -1.424 1.00 1.59 C ATOM 0 H LEU A 16 6.398 -0.407 -4.202 1.00 0.43 H new ATOM 0 HA LEU A 16 5.471 2.135 -5.246 1.00 0.50 H new ATOM 0 HB2 LEU A 16 3.965 0.618 -4.109 1.00 0.75 H new ATOM 0 HB3 LEU A 16 5.040 0.493 -2.731 1.00 0.75 H new ATOM 0 HG LEU A 16 3.934 3.182 -3.403 1.00 1.35 H new ATOM 0 HD11 LEU A 16 1.890 2.670 -2.093 1.00 2.23 H new ATOM 0 HD12 LEU A 16 1.983 1.684 -3.572 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.390 0.964 -1.996 1.00 2.23 H new ATOM 0 HD21 LEU A 16 3.931 3.386 -0.938 1.00 1.59 H new ATOM 0 HD22 LEU A 16 4.479 1.698 -0.804 1.00 1.59 H new ATOM 0 HD23 LEU A 16 5.533 2.918 -1.556 1.00 1.59 H new ATOM 270 N ARG A 17 6.791 3.746 -4.177 1.00 0.40 N ATOM 271 CA ARG A 17 7.801 4.747 -3.937 1.00 0.42 C ATOM 272 C ARG A 17 7.171 6.070 -3.579 1.00 0.35 C ATOM 273 O ARG A 17 6.042 6.353 -3.997 1.00 0.37 O ATOM 274 CB ARG A 17 8.595 4.872 -5.227 1.00 0.59 C ATOM 275 CG ARG A 17 9.519 6.067 -5.342 1.00 1.00 C ATOM 276 CD ARG A 17 10.490 5.862 -6.494 1.00 1.17 C ATOM 277 NE ARG A 17 11.493 4.856 -6.154 1.00 1.46 N ATOM 278 CZ ARG A 17 11.282 3.542 -6.230 1.00 1.93 C ATOM 279 NH1 ARG A 17 10.202 3.069 -6.837 1.00 2.43 N ATOM 280 NH2 ARG A 17 12.162 2.705 -5.729 1.00 2.61 N ATOM 0 H ARG A 17 6.075 4.056 -4.833 1.00 0.40 H new ATOM 0 HA ARG A 17 8.441 4.462 -3.102 1.00 0.42 H new ATOM 0 HB2 ARG A 17 9.191 3.968 -5.349 1.00 0.59 H new ATOM 0 HB3 ARG A 17 7.891 4.904 -6.059 1.00 0.59 H new ATOM 0 HG2 ARG A 17 8.936 6.974 -5.503 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.069 6.203 -4.411 1.00 1.00 H new ATOM 0 HD2 ARG A 17 9.944 5.551 -7.385 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.981 6.805 -6.734 1.00 1.17 H new ATOM 0 HE ARG A 17 12.409 5.178 -5.840 1.00 1.46 H new ATOM 0 HH11 ARG A 17 9.526 3.712 -7.250 1.00 2.43 H new ATOM 0 HH12 ARG A 17 10.047 2.062 -6.891 1.00 2.43 H new ATOM 0 HH21 ARG A 17 13.007 3.061 -5.282 1.00 2.61 H new ATOM 0 HH22 ARG A 17 12.000 1.700 -5.787 1.00 2.61 H new ATOM 294 N ILE A 18 7.895 6.891 -2.837 1.00 0.33 N ATOM 295 CA ILE A 18 7.429 8.231 -2.597 1.00 0.31 C ATOM 296 C ILE A 18 7.977 9.177 -3.643 1.00 0.32 C ATOM 297 O ILE A 18 9.181 9.234 -3.914 1.00 0.36 O ATOM 298 CB ILE A 18 7.809 8.798 -1.208 1.00 0.36 C ATOM 299 CG1 ILE A 18 9.318 9.090 -1.068 1.00 0.45 C ATOM 300 CG2 ILE A 18 7.340 7.877 -0.100 1.00 0.41 C ATOM 301 CD1 ILE A 18 10.228 7.886 -1.212 1.00 0.91 C ATOM 0 H ILE A 18 8.787 6.654 -2.402 1.00 0.33 H new ATOM 0 HA ILE A 18 6.342 8.161 -2.643 1.00 0.31 H new ATOM 0 HB ILE A 18 7.294 9.754 -1.116 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.599 9.829 -1.818 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.494 9.543 -0.093 1.00 0.45 H new ATOM 0 HG21 ILE A 18 7.619 8.298 0.866 1.00 0.41 H new ATOM 0 HG22 ILE A 18 6.256 7.770 -0.150 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.806 6.899 -0.218 1.00 0.41 H new ATOM 0 HD11 ILE A 18 11.266 8.199 -1.097 1.00 0.91 H new ATOM 0 HD12 ILE A 18 9.983 7.151 -0.445 1.00 0.91 H new ATOM 0 HD13 ILE A 18 10.090 7.441 -2.198 1.00 0.91 H new ATOM 313 N LEU A 19 7.067 9.864 -4.276 1.00 0.36 N ATOM 314 CA LEU A 19 7.403 11.013 -5.063 1.00 0.42 C ATOM 315 C LEU A 19 6.771 12.205 -4.390 1.00 0.41 C ATOM 316 O LEU A 19 5.552 12.264 -4.264 1.00 0.43 O ATOM 317 CB LEU A 19 6.903 10.891 -6.510 1.00 0.54 C ATOM 318 CG LEU A 19 7.678 9.917 -7.405 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.369 8.473 -7.044 1.00 1.56 C ATOM 320 CD2 LEU A 19 7.362 10.181 -8.867 1.00 1.84 C ATOM 0 H LEU A 19 6.072 9.641 -4.259 1.00 0.36 H new ATOM 0 HA LEU A 19 8.487 11.114 -5.122 1.00 0.42 H new ATOM 0 HB2 LEU A 19 5.858 10.582 -6.488 1.00 0.54 H new ATOM 0 HB3 LEU A 19 6.933 11.879 -6.969 1.00 0.54 H new ATOM 0 HG LEU A 19 8.743 10.081 -7.241 1.00 0.96 H new ATOM 0 HD11 LEU A 19 7.933 7.806 -7.696 1.00 1.56 H new ATOM 0 HD12 LEU A 19 7.649 8.289 -6.007 1.00 1.56 H new ATOM 0 HD13 LEU A 19 6.302 8.287 -7.170 1.00 1.56 H new ATOM 0 HD21 LEU A 19 7.919 9.482 -9.492 1.00 1.84 H new ATOM 0 HD22 LEU A 19 6.294 10.048 -9.038 1.00 1.84 H new ATOM 0 HD23 LEU A 19 7.646 11.202 -9.122 1.00 1.84 H new ATOM 332 N PRO A 20 7.579 13.181 -3.961 1.00 0.54 N ATOM 333 CA PRO A 20 7.085 14.362 -3.244 1.00 0.67 C ATOM 334 C PRO A 20 6.380 15.307 -4.198 1.00 0.68 C ATOM 335 O PRO A 20 6.046 16.444 -3.866 1.00 0.84 O ATOM 336 CB PRO A 20 8.360 15.023 -2.714 1.00 0.89 C ATOM 337 CG PRO A 20 9.443 14.011 -2.897 1.00 0.96 C ATOM 338 CD PRO A 20 9.039 13.200 -4.088 1.00 0.70 C ATOM 0 HA PRO A 20 6.370 14.108 -2.461 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.583 15.939 -3.261 1.00 0.89 H new ATOM 0 HB3 PRO A 20 8.252 15.297 -1.664 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.407 14.493 -3.060 1.00 0.96 H new ATOM 0 HG3 PRO A 20 9.546 13.383 -2.012 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.362 13.659 -5.023 1.00 0.70 H new ATOM 0 HD3 PRO A 20 9.464 12.197 -4.062 1.00 0.70 H new ATOM 346 N ASP A 21 6.157 14.790 -5.384 1.00 0.62 N ATOM 347 CA ASP A 21 5.433 15.495 -6.428 1.00 0.78 C ATOM 348 C ASP A 21 3.930 15.292 -6.259 1.00 0.75 C ATOM 349 O ASP A 21 3.127 16.127 -6.674 1.00 0.99 O ATOM 350 CB ASP A 21 5.879 15.000 -7.806 1.00 0.94 C ATOM 351 CG ASP A 21 5.179 15.726 -8.935 1.00 1.51 C ATOM 352 OD1 ASP A 21 5.565 16.877 -9.230 1.00 1.71 O ATOM 353 OD2 ASP A 21 4.240 15.149 -9.527 1.00 2.30 O ATOM 0 H ASP A 21 6.474 13.860 -5.658 1.00 0.62 H new ATOM 0 HA ASP A 21 5.654 16.559 -6.348 1.00 0.78 H new ATOM 0 HB2 ASP A 21 6.956 15.133 -7.905 1.00 0.94 H new ATOM 0 HB3 ASP A 21 5.681 13.931 -7.887 1.00 0.94 H new ATOM 358 N GLY A 22 3.560 14.182 -5.635 1.00 0.59 N ATOM 359 CA GLY A 22 2.157 13.896 -5.402 1.00 0.72 C ATOM 360 C GLY A 22 1.782 12.467 -5.749 1.00 0.61 C ATOM 361 O GLY A 22 0.654 12.207 -6.164 1.00 0.81 O ATOM 0 H GLY A 22 4.206 13.474 -5.286 1.00 0.59 H new ATOM 0 HA2 GLY A 22 1.922 14.084 -4.354 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.548 14.580 -5.993 1.00 0.72 H new ATOM 365 N THR A 23 2.709 11.527 -5.579 1.00 0.43 N ATOM 366 CA THR A 23 2.477 10.180 -5.996 1.00 0.39 C ATOM 367 C THR A 23 2.987 9.160 -4.995 1.00 0.40 C ATOM 368 O THR A 23 4.055 9.329 -4.399 1.00 0.46 O ATOM 369 CB THR A 23 3.243 9.909 -7.271 1.00 0.44 C ATOM 370 OG1 THR A 23 3.641 11.141 -7.895 1.00 0.49 O ATOM 371 CG2 THR A 23 2.416 9.089 -8.229 1.00 0.59 C ATOM 0 H THR A 23 3.622 11.691 -5.154 1.00 0.43 H new ATOM 0 HA THR A 23 1.398 10.082 -6.112 1.00 0.39 H new ATOM 0 HB THR A 23 4.137 9.343 -7.011 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.137 10.946 -8.717 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.988 8.907 -9.139 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.159 8.137 -7.765 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.503 9.630 -8.477 1.00 0.59 H new ATOM 379 N VAL A 24 2.206 8.120 -4.807 1.00 0.47 N ATOM 380 CA VAL A 24 2.727 6.858 -4.312 1.00 0.56 C ATOM 381 C VAL A 24 2.567 5.777 -5.404 1.00 0.42 C ATOM 382 O VAL A 24 1.469 5.284 -5.683 1.00 0.50 O ATOM 383 CB VAL A 24 1.984 6.443 -3.036 1.00 0.91 C ATOM 384 CG1 VAL A 24 0.504 6.351 -3.306 1.00 0.97 C ATOM 385 CG2 VAL A 24 2.512 5.134 -2.508 1.00 1.61 C ATOM 0 H VAL A 24 1.202 8.120 -4.989 1.00 0.47 H new ATOM 0 HA VAL A 24 3.784 6.971 -4.071 1.00 0.56 H new ATOM 0 HB VAL A 24 2.154 7.203 -2.274 1.00 0.91 H new ATOM 0 HG11 VAL A 24 -0.015 6.056 -2.394 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.133 7.321 -3.636 1.00 0.97 H new ATOM 0 HG13 VAL A 24 0.321 5.609 -4.084 1.00 0.97 H new ATOM 0 HG21 VAL A 24 1.969 4.861 -1.603 1.00 1.61 H new ATOM 0 HG22 VAL A 24 2.377 4.357 -3.260 1.00 1.61 H new ATOM 0 HG23 VAL A 24 3.573 5.236 -2.278 1.00 1.61 H new ATOM 395 N ASP A 25 3.658 5.460 -6.067 1.00 0.37 N ATOM 396 CA ASP A 25 3.616 4.517 -7.197 1.00 0.37 C ATOM 397 C ASP A 25 4.714 3.493 -7.196 1.00 0.39 C ATOM 398 O ASP A 25 5.736 3.669 -6.551 1.00 0.43 O ATOM 399 CB ASP A 25 3.625 5.270 -8.527 1.00 0.48 C ATOM 400 CG ASP A 25 4.964 5.910 -8.855 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.902 5.171 -9.216 1.00 1.10 O ATOM 402 OD2 ASP A 25 5.102 7.146 -8.706 1.00 1.16 O ATOM 0 H ASP A 25 4.585 5.830 -5.856 1.00 0.37 H new ATOM 0 HA ASP A 25 2.683 3.967 -7.073 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.356 4.581 -9.327 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.858 6.044 -8.502 1.00 0.48 H new ATOM 407 N GLY A 26 4.503 2.423 -7.962 1.00 0.38 N ATOM 408 CA GLY A 26 5.590 1.523 -8.225 1.00 0.40 C ATOM 409 C GLY A 26 6.489 1.986 -9.353 1.00 0.42 C ATOM 410 O GLY A 26 6.045 2.373 -10.430 1.00 0.52 O ATOM 0 H GLY A 26 3.612 2.175 -8.393 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.185 1.408 -7.319 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.188 0.540 -8.470 1.00 0.40 H new ATOM 414 N THR A 27 7.761 1.887 -9.072 1.00 0.42 N ATOM 415 CA THR A 27 8.846 2.109 -9.998 1.00 0.50 C ATOM 416 C THR A 27 9.923 1.126 -9.602 1.00 0.54 C ATOM 417 O THR A 27 10.040 0.855 -8.403 1.00 0.56 O ATOM 418 CB THR A 27 9.359 3.558 -9.888 1.00 0.57 C ATOM 419 OG1 THR A 27 8.364 4.472 -10.375 1.00 0.67 O ATOM 420 CG2 THR A 27 10.656 3.732 -10.649 1.00 0.70 C ATOM 0 H THR A 27 8.089 1.635 -8.139 1.00 0.42 H new ATOM 0 HA THR A 27 8.534 1.965 -11.032 1.00 0.50 H new ATOM 0 HB THR A 27 9.553 3.775 -8.838 1.00 0.57 H new ATOM 0 HG1 THR A 27 7.605 4.490 -9.755 1.00 0.67 H new ATOM 0 HG21 THR A 27 10.997 4.763 -10.556 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.411 3.061 -10.239 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.495 3.497 -11.701 1.00 0.70 H new ATOM 428 N ARG A 28 10.702 0.543 -10.503 1.00 0.64 N ATOM 429 CA ARG A 28 11.620 -0.423 -9.969 1.00 0.71 C ATOM 430 C ARG A 28 12.898 0.258 -9.562 1.00 0.65 C ATOM 431 O ARG A 28 13.718 0.682 -10.374 1.00 0.72 O ATOM 432 CB ARG A 28 11.898 -1.527 -10.974 1.00 0.91 C ATOM 433 CG ARG A 28 12.977 -2.506 -10.535 1.00 1.56 C ATOM 434 CD ARG A 28 13.148 -3.628 -11.543 1.00 1.84 C ATOM 435 NE ARG A 28 13.396 -3.120 -12.891 1.00 2.32 N ATOM 436 CZ ARG A 28 13.305 -3.860 -13.993 1.00 2.92 C ATOM 437 NH1 ARG A 28 13.014 -5.153 -13.907 1.00 3.18 N ATOM 438 NH2 ARG A 28 13.511 -3.304 -15.178 1.00 3.76 N ATOM 0 H ARG A 28 10.717 0.705 -11.510 1.00 0.64 H new ATOM 0 HA ARG A 28 11.167 -0.882 -9.090 1.00 0.71 H new ATOM 0 HB2 ARG A 28 10.975 -2.078 -11.158 1.00 0.91 H new ATOM 0 HB3 ARG A 28 12.194 -1.076 -11.921 1.00 0.91 H new ATOM 0 HG2 ARG A 28 13.922 -1.977 -10.412 1.00 1.56 H new ATOM 0 HG3 ARG A 28 12.717 -2.924 -9.563 1.00 1.56 H new ATOM 0 HD2 ARG A 28 13.977 -4.266 -11.238 1.00 1.84 H new ATOM 0 HD3 ARG A 28 12.253 -4.250 -11.549 1.00 1.84 H new ATOM 0 HE ARG A 28 13.655 -2.139 -12.993 1.00 2.32 H new ATOM 0 HH11 ARG A 28 12.860 -5.581 -12.994 1.00 3.18 H new ATOM 0 HH12 ARG A 28 12.945 -5.718 -14.754 1.00 3.18 H new ATOM 0 HH21 ARG A 28 13.739 -2.312 -15.243 1.00 3.76 H new ATOM 0 HH22 ARG A 28 13.442 -3.868 -16.025 1.00 3.76 H new ATOM 452 N ASP A 29 12.997 0.353 -8.266 1.00 0.68 N ATOM 453 CA ASP A 29 14.222 0.640 -7.542 1.00 0.69 C ATOM 454 C ASP A 29 14.162 -0.041 -6.182 1.00 0.81 C ATOM 455 O ASP A 29 13.290 0.278 -5.380 1.00 1.48 O ATOM 456 CB ASP A 29 14.426 2.156 -7.378 1.00 1.04 C ATOM 457 CG ASP A 29 15.226 2.525 -6.135 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.351 2.015 -5.973 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.708 3.321 -5.306 1.00 2.20 O ATOM 0 H ASP A 29 12.194 0.228 -7.649 1.00 0.68 H new ATOM 0 HA ASP A 29 15.070 0.255 -8.108 1.00 0.69 H new ATOM 0 HB2 ASP A 29 14.937 2.544 -8.259 1.00 1.04 H new ATOM 0 HB3 ASP A 29 13.452 2.644 -7.333 1.00 1.04 H new ATOM 464 N ARG A 30 15.036 -0.975 -5.921 1.00 0.62 N ATOM 465 CA ARG A 30 15.249 -1.427 -4.561 1.00 0.91 C ATOM 466 C ARG A 30 16.731 -1.361 -4.248 1.00 1.03 C ATOM 467 O ARG A 30 17.304 -2.242 -3.607 1.00 1.18 O ATOM 468 CB ARG A 30 14.634 -2.813 -4.310 1.00 1.63 C ATOM 469 CG ARG A 30 14.737 -3.791 -5.468 1.00 2.20 C ATOM 470 CD ARG A 30 16.042 -4.558 -5.452 1.00 2.58 C ATOM 471 NE ARG A 30 16.060 -5.600 -6.470 1.00 3.27 N ATOM 472 CZ ARG A 30 16.370 -6.873 -6.227 1.00 3.80 C ATOM 473 NH1 ARG A 30 16.675 -7.258 -4.992 1.00 3.96 N ATOM 474 NH2 ARG A 30 16.364 -7.759 -7.211 1.00 4.57 N ATOM 0 H ARG A 30 15.612 -1.439 -6.623 1.00 0.62 H new ATOM 0 HA ARG A 30 14.727 -0.764 -3.871 1.00 0.91 H new ATOM 0 HB2 ARG A 30 15.119 -3.255 -3.439 1.00 1.63 H new ATOM 0 HB3 ARG A 30 13.581 -2.684 -4.058 1.00 1.63 H new ATOM 0 HG2 ARG A 30 13.904 -4.493 -5.424 1.00 2.20 H new ATOM 0 HG3 ARG A 30 14.648 -3.248 -6.409 1.00 2.20 H new ATOM 0 HD2 ARG A 30 16.872 -3.871 -5.618 1.00 2.58 H new ATOM 0 HD3 ARG A 30 16.191 -5.005 -4.469 1.00 2.58 H new ATOM 0 HE ARG A 30 15.821 -5.339 -7.427 1.00 3.27 H new ATOM 0 HH11 ARG A 30 16.672 -6.579 -4.231 1.00 3.96 H new ATOM 0 HH12 ARG A 30 16.912 -8.232 -4.806 1.00 3.96 H new ATOM 0 HH21 ARG A 30 16.122 -7.468 -8.158 1.00 4.57 H new ATOM 0 HH22 ARG A 30 16.602 -8.733 -7.022 1.00 4.57 H new ATOM 488 N SER A 31 17.340 -0.291 -4.740 1.00 1.72 N ATOM 489 CA SER A 31 18.741 -0.015 -4.513 1.00 2.60 C ATOM 490 C SER A 31 18.891 1.289 -3.731 1.00 2.41 C ATOM 491 O SER A 31 19.947 1.559 -3.160 1.00 2.90 O ATOM 492 CB SER A 31 19.480 0.081 -5.852 1.00 3.49 C ATOM 493 OG SER A 31 20.873 0.272 -5.663 1.00 4.00 O ATOM 0 H SER A 31 16.868 0.411 -5.310 1.00 1.72 H new ATOM 0 HA SER A 31 19.176 -0.828 -3.931 1.00 2.60 H new ATOM 0 HB2 SER A 31 19.311 -0.829 -6.428 1.00 3.49 H new ATOM 0 HB3 SER A 31 19.074 0.908 -6.435 1.00 3.49 H new ATOM 0 HG SER A 31 21.025 0.768 -4.831 1.00 4.00 H new ATOM 499 N ASP A 32 17.832 2.094 -3.712 1.00 1.76 N ATOM 500 CA ASP A 32 17.852 3.354 -2.994 1.00 1.59 C ATOM 501 C ASP A 32 16.818 3.350 -1.887 1.00 1.18 C ATOM 502 O ASP A 32 16.148 2.349 -1.634 1.00 1.25 O ATOM 503 CB ASP A 32 17.602 4.533 -3.943 1.00 1.59 C ATOM 504 CG ASP A 32 18.877 5.091 -4.549 1.00 1.92 C ATOM 505 OD1 ASP A 32 19.679 5.692 -3.804 1.00 2.37 O ATOM 506 OD2 ASP A 32 19.073 4.956 -5.775 1.00 2.08 O ATOM 0 H ASP A 32 16.952 1.892 -4.187 1.00 1.76 H new ATOM 0 HA ASP A 32 18.842 3.472 -2.553 1.00 1.59 H new ATOM 0 HB2 ASP A 32 16.936 4.212 -4.744 1.00 1.59 H new ATOM 0 HB3 ASP A 32 17.088 5.326 -3.400 1.00 1.59 H new ATOM 511 N GLN A 33 16.674 4.490 -1.254 1.00 1.02 N ATOM 512 CA GLN A 33 15.888 4.621 -0.065 1.00 0.76 C ATOM 513 C GLN A 33 14.518 5.226 -0.365 1.00 0.55 C ATOM 514 O GLN A 33 14.221 6.330 0.060 1.00 0.72 O ATOM 515 CB GLN A 33 16.674 5.520 0.869 1.00 1.03 C ATOM 516 CG GLN A 33 16.388 5.269 2.316 1.00 1.73 C ATOM 517 CD GLN A 33 17.143 6.201 3.240 1.00 2.18 C ATOM 518 OE1 GLN A 33 18.235 6.668 2.919 1.00 2.42 O ATOM 519 NE2 GLN A 33 16.569 6.470 4.400 1.00 2.92 N ATOM 0 H GLN A 33 17.108 5.361 -1.560 1.00 1.02 H new ATOM 0 HA GLN A 33 15.702 3.644 0.382 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.739 5.378 0.687 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.447 6.560 0.637 1.00 1.03 H new ATOM 0 HG2 GLN A 33 15.318 5.379 2.493 1.00 1.73 H new ATOM 0 HG3 GLN A 33 16.647 4.238 2.558 1.00 1.73 H new ATOM 0 HE21 GLN A 33 15.662 6.062 4.627 1.00 2.92 H new ATOM 0 HE22 GLN A 33 17.033 7.086 5.068 1.00 2.92 H new ATOM 528 N HIS A 34 13.680 4.509 -1.097 1.00 0.44 N ATOM 529 CA HIS A 34 12.372 5.038 -1.458 1.00 0.36 C ATOM 530 C HIS A 34 11.258 4.068 -1.090 1.00 0.32 C ATOM 531 O HIS A 34 10.138 4.476 -0.807 1.00 0.37 O ATOM 532 CB HIS A 34 12.308 5.305 -2.964 1.00 0.57 C ATOM 533 CG HIS A 34 13.370 6.226 -3.473 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.380 5.815 -4.318 1.00 1.54 N ATOM 535 CD2 HIS A 34 13.560 7.551 -3.279 1.00 1.29 C ATOM 536 CE1 HIS A 34 15.141 6.851 -4.619 1.00 1.61 C ATOM 537 NE2 HIS A 34 14.664 7.913 -4.002 1.00 1.34 N ATOM 0 H HIS A 34 13.877 3.572 -1.449 1.00 0.44 H new ATOM 0 HA HIS A 34 12.232 5.966 -0.903 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.384 4.355 -3.493 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.332 5.727 -3.205 1.00 0.57 H new ATOM 0 HD1 HIS A 34 14.517 4.863 -4.656 1.00 1.54 H new ATOM 0 HD2 HIS A 34 12.953 8.202 -2.667 1.00 1.29 H new ATOM 0 HE1 HIS A 34 16.008 6.831 -5.262 1.00 1.61 H new ATOM 546 N ILE A 35 11.574 2.784 -1.146 1.00 0.38 N ATOM 547 CA ILE A 35 10.564 1.737 -1.017 1.00 0.45 C ATOM 548 C ILE A 35 10.319 1.225 0.409 1.00 0.46 C ATOM 549 O ILE A 35 9.683 0.180 0.557 1.00 0.63 O ATOM 550 CB ILE A 35 10.904 0.518 -1.909 1.00 0.63 C ATOM 551 CG1 ILE A 35 12.069 -0.319 -1.337 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.229 0.975 -3.318 1.00 1.51 C ATOM 553 CD1 ILE A 35 13.426 0.356 -1.366 1.00 2.04 C ATOM 0 H ILE A 35 12.524 2.438 -1.280 1.00 0.38 H new ATOM 0 HA ILE A 35 9.647 2.230 -1.340 1.00 0.45 H new ATOM 0 HB ILE A 35 10.024 -0.124 -1.929 1.00 0.63 H new ATOM 0 HG12 ILE A 35 11.834 -0.582 -0.306 1.00 1.16 H new ATOM 0 HG13 ILE A 35 12.133 -1.252 -1.897 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.466 0.109 -3.936 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.369 1.496 -3.739 1.00 1.51 H new ATOM 0 HG23 ILE A 35 12.085 1.649 -3.293 1.00 1.51 H new ATOM 0 HD11 ILE A 35 14.175 -0.314 -0.943 1.00 2.04 H new ATOM 0 HD12 ILE A 35 13.692 0.593 -2.396 1.00 2.04 H new ATOM 0 HD13 ILE A 35 13.388 1.274 -0.780 1.00 2.04 H new ATOM 565 N GLN A 36 10.785 1.887 1.469 1.00 0.38 N ATOM 566 CA GLN A 36 10.628 1.246 2.774 1.00 0.37 C ATOM 567 C GLN A 36 9.514 1.875 3.614 1.00 0.35 C ATOM 568 O GLN A 36 9.694 2.873 4.328 1.00 0.35 O ATOM 569 CB GLN A 36 11.956 1.209 3.530 1.00 0.43 C ATOM 570 CG GLN A 36 12.491 2.570 3.950 1.00 0.52 C ATOM 571 CD GLN A 36 13.863 2.848 3.372 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.673 3.538 3.982 1.00 1.17 O ATOM 573 NE2 GLN A 36 14.138 2.310 2.191 1.00 1.29 N ATOM 0 H GLN A 36 11.242 2.799 1.460 1.00 0.38 H new ATOM 0 HA GLN A 36 10.319 0.218 2.586 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.834 0.592 4.420 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.701 0.719 2.903 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.798 3.347 3.626 1.00 0.52 H new ATOM 0 HG3 GLN A 36 12.540 2.619 5.038 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.438 1.742 1.714 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.049 2.465 1.760 1.00 1.29 H new ATOM 582 N LEU A 37 8.370 1.212 3.585 1.00 0.36 N ATOM 583 CA LEU A 37 7.215 1.638 4.347 1.00 0.35 C ATOM 584 C LEU A 37 6.900 0.633 5.414 1.00 0.37 C ATOM 585 O LEU A 37 6.745 -0.557 5.142 1.00 0.48 O ATOM 586 CB LEU A 37 5.981 1.859 3.472 1.00 0.38 C ATOM 587 CG LEU A 37 5.780 0.884 2.296 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.333 0.902 1.836 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.685 1.236 1.123 1.00 0.94 C ATOM 0 H LEU A 37 8.219 0.367 3.034 1.00 0.36 H new ATOM 0 HA LEU A 37 7.471 2.596 4.799 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.099 1.808 4.110 1.00 0.38 H new ATOM 0 HB3 LEU A 37 6.026 2.871 3.070 1.00 0.38 H new ATOM 0 HG LEU A 37 6.040 -0.114 2.649 1.00 0.45 H new ATOM 0 HD11 LEU A 37 4.207 0.208 1.005 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.685 0.603 2.660 1.00 0.94 H new ATOM 0 HD13 LEU A 37 4.067 1.908 1.512 1.00 0.94 H new ATOM 0 HD21 LEU A 37 6.519 0.529 0.310 1.00 0.94 H new ATOM 0 HD22 LEU A 37 6.458 2.245 0.779 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.727 1.186 1.440 1.00 0.94 H new ATOM 601 N GLN A 38 6.725 1.124 6.604 1.00 0.34 N ATOM 602 CA GLN A 38 6.675 0.274 7.765 1.00 0.39 C ATOM 603 C GLN A 38 5.230 -0.133 8.003 1.00 0.40 C ATOM 604 O GLN A 38 4.402 0.681 8.398 1.00 0.41 O ATOM 605 CB GLN A 38 7.281 1.016 8.969 1.00 0.45 C ATOM 606 CG GLN A 38 8.007 0.104 9.951 1.00 0.93 C ATOM 607 CD GLN A 38 7.144 -0.380 11.106 1.00 1.37 C ATOM 608 OE1 GLN A 38 5.838 -0.432 10.907 1.00 2.05 O flip ATOM 609 NE2 GLN A 38 7.654 -0.681 12.186 1.00 2.12 N flip ATOM 0 H GLN A 38 6.613 2.118 6.802 1.00 0.34 H new ATOM 0 HA GLN A 38 7.263 -0.632 7.616 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.978 1.771 8.605 1.00 0.45 H new ATOM 0 HB3 GLN A 38 6.486 1.543 9.497 1.00 0.45 H new ATOM 0 HG2 GLN A 38 8.390 -0.762 9.411 1.00 0.93 H new ATOM 0 HG3 GLN A 38 8.869 0.635 10.354 1.00 0.93 H new ATOM 0 HE21 GLN A 38 8.666 -0.629 12.304 1.00 2.12 H new ATOM 0 HE22 GLN A 38 7.065 -0.982 12.962 1.00 2.12 H new ATOM 618 N LEU A 39 4.935 -1.399 7.741 1.00 0.43 N ATOM 619 CA LEU A 39 3.564 -1.882 7.756 1.00 0.46 C ATOM 620 C LEU A 39 3.278 -2.682 9.021 1.00 0.55 C ATOM 621 O LEU A 39 3.682 -3.840 9.139 1.00 0.77 O ATOM 622 CB LEU A 39 3.288 -2.751 6.519 1.00 0.61 C ATOM 623 CG LEU A 39 1.987 -2.418 5.774 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.679 -3.475 4.727 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.825 -2.280 6.747 1.00 1.45 C ATOM 0 H LEU A 39 5.630 -2.111 7.515 1.00 0.43 H new ATOM 0 HA LEU A 39 2.905 -1.014 7.739 1.00 0.46 H new ATOM 0 HB2 LEU A 39 4.123 -2.648 5.826 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.256 -3.796 6.827 1.00 0.61 H new ATOM 0 HG LEU A 39 2.125 -1.463 5.268 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.753 -3.218 4.212 1.00 1.75 H new ATOM 0 HD12 LEU A 39 2.495 -3.521 4.006 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.568 -4.445 5.211 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.085 -2.044 6.196 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.689 -3.217 7.287 1.00 1.45 H new ATOM 0 HD23 LEU A 39 1.037 -1.480 7.456 1.00 1.45 H new ATOM 637 N SER A 40 2.600 -2.052 9.966 1.00 0.46 N ATOM 638 CA SER A 40 2.191 -2.729 11.188 1.00 0.56 C ATOM 639 C SER A 40 0.676 -2.908 11.217 1.00 0.42 C ATOM 640 O SER A 40 -0.051 -2.235 10.488 1.00 0.37 O ATOM 641 CB SER A 40 2.642 -1.933 12.418 1.00 0.71 C ATOM 642 OG SER A 40 4.047 -1.752 12.422 1.00 1.38 O ATOM 0 H SER A 40 2.321 -1.073 9.912 1.00 0.46 H new ATOM 0 HA SER A 40 2.664 -3.711 11.209 1.00 0.56 H new ATOM 0 HB2 SER A 40 2.147 -0.962 12.428 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.337 -2.455 13.325 1.00 0.71 H new ATOM 0 HG SER A 40 4.305 -1.181 11.669 1.00 1.38 H new ATOM 648 N ALA A 41 0.209 -3.817 12.059 1.00 0.56 N ATOM 649 CA ALA A 41 -1.210 -3.956 12.333 1.00 0.56 C ATOM 650 C ALA A 41 -1.435 -3.621 13.797 1.00 0.64 C ATOM 651 O ALA A 41 -1.196 -4.448 14.675 1.00 0.84 O ATOM 652 CB ALA A 41 -1.681 -5.371 12.017 1.00 0.89 C ATOM 0 H ALA A 41 0.800 -4.474 12.568 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.786 -3.278 11.704 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.747 -5.455 12.229 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.502 -5.587 10.964 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.131 -6.083 12.632 1.00 0.89 H new ATOM 658 N GLU A 42 -1.877 -2.402 14.059 1.00 0.92 N ATOM 659 CA GLU A 42 -1.811 -1.869 15.411 1.00 1.34 C ATOM 660 C GLU A 42 -3.152 -1.921 16.131 1.00 1.34 C ATOM 661 O GLU A 42 -3.189 -2.060 17.356 1.00 1.64 O ATOM 662 CB GLU A 42 -1.229 -0.455 15.412 1.00 1.88 C ATOM 663 CG GLU A 42 -1.881 0.504 14.429 1.00 2.46 C ATOM 664 CD GLU A 42 -1.268 1.885 14.484 1.00 2.62 C ATOM 665 OE1 GLU A 42 -0.259 2.122 13.793 1.00 2.70 O ATOM 666 OE2 GLU A 42 -1.776 2.733 15.255 1.00 3.12 O ATOM 0 H GLU A 42 -2.279 -1.771 13.366 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.138 -2.516 15.974 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -1.320 -0.041 16.416 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -0.164 -0.515 15.187 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -1.785 0.106 13.419 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -2.947 0.573 14.645 1.00 2.46 H new ATOM 673 N SER A 43 -4.252 -1.793 15.408 1.00 1.09 N ATOM 674 CA SER A 43 -5.546 -1.986 16.032 1.00 1.14 C ATOM 675 C SER A 43 -6.198 -3.213 15.431 1.00 1.00 C ATOM 676 O SER A 43 -5.732 -3.721 14.407 1.00 1.09 O ATOM 677 CB SER A 43 -6.429 -0.753 15.874 1.00 1.24 C ATOM 678 OG SER A 43 -5.700 0.436 16.153 1.00 1.59 O ATOM 0 H SER A 43 -4.276 -1.562 14.415 1.00 1.09 H new ATOM 0 HA SER A 43 -5.411 -2.137 17.103 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.824 -0.712 14.859 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.284 -0.825 16.546 1.00 1.24 H new ATOM 0 HG SER A 43 -5.580 0.948 15.326 1.00 1.59 H new ATOM 684 N VAL A 44 -7.255 -3.700 16.054 1.00 0.92 N ATOM 685 CA VAL A 44 -7.945 -4.859 15.535 1.00 0.91 C ATOM 686 C VAL A 44 -8.464 -4.594 14.126 1.00 0.77 C ATOM 687 O VAL A 44 -9.252 -3.674 13.889 1.00 0.79 O ATOM 688 CB VAL A 44 -9.097 -5.296 16.466 1.00 1.07 C ATOM 689 CG1 VAL A 44 -8.546 -5.813 17.783 1.00 1.85 C ATOM 690 CG2 VAL A 44 -10.077 -4.160 16.719 1.00 1.83 C ATOM 0 H VAL A 44 -7.649 -3.313 16.912 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.226 -5.677 15.490 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.638 -6.098 15.964 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -9.370 -6.117 18.428 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -7.898 -6.669 17.595 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -7.974 -5.025 18.273 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.873 -4.506 17.378 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -9.554 -3.326 17.188 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -10.507 -3.832 15.772 1.00 1.83 H new ATOM 700 N GLY A 45 -7.951 -5.357 13.177 1.00 0.73 N ATOM 701 CA GLY A 45 -8.445 -5.289 11.823 1.00 0.67 C ATOM 702 C GLY A 45 -7.696 -4.290 10.969 1.00 0.54 C ATOM 703 O GLY A 45 -7.636 -4.443 9.745 1.00 0.56 O ATOM 0 H GLY A 45 -7.196 -6.027 13.323 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.372 -6.276 11.366 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.502 -5.023 11.841 1.00 0.67 H new ATOM 707 N GLU A 46 -7.115 -3.266 11.585 1.00 0.56 N ATOM 708 CA GLU A 46 -6.497 -2.217 10.811 1.00 0.50 C ATOM 709 C GLU A 46 -4.990 -2.349 10.721 1.00 0.40 C ATOM 710 O GLU A 46 -4.305 -2.684 11.689 1.00 0.48 O ATOM 711 CB GLU A 46 -6.887 -0.836 11.323 1.00 0.75 C ATOM 712 CG GLU A 46 -6.395 -0.513 12.716 1.00 1.02 C ATOM 713 CD GLU A 46 -6.781 0.884 13.158 1.00 1.35 C ATOM 714 OE1 GLU A 46 -7.968 1.244 13.031 1.00 1.80 O ATOM 715 OE2 GLU A 46 -5.890 1.640 13.597 1.00 1.67 O ATOM 0 H GLU A 46 -7.063 -3.148 12.597 1.00 0.56 H new ATOM 0 HA GLU A 46 -6.883 -2.332 9.798 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.500 -0.086 10.633 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.974 -0.752 11.308 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.803 -1.239 13.419 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -5.310 -0.614 12.747 1.00 1.02 H new ATOM 722 N VAL A 47 -4.487 -2.084 9.530 1.00 0.33 N ATOM 723 CA VAL A 47 -3.065 -2.052 9.283 1.00 0.33 C ATOM 724 C VAL A 47 -2.666 -0.662 8.861 1.00 0.33 C ATOM 725 O VAL A 47 -3.405 0.020 8.143 1.00 0.36 O ATOM 726 CB VAL A 47 -2.604 -3.061 8.219 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.804 -4.483 8.711 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.331 -2.840 6.903 1.00 0.48 C ATOM 0 H VAL A 47 -5.057 -1.885 8.708 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.576 -2.336 10.215 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.540 -2.903 8.043 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.472 -5.183 7.944 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.223 -4.638 9.620 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.860 -4.650 8.922 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -2.985 -3.568 6.169 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.404 -2.960 7.055 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.127 -1.833 6.539 1.00 0.48 H new ATOM 738 N TYR A 48 -1.522 -0.228 9.315 1.00 0.34 N ATOM 739 CA TYR A 48 -1.116 1.128 9.071 1.00 0.36 C ATOM 740 C TYR A 48 0.149 1.141 8.245 1.00 0.38 C ATOM 741 O TYR A 48 1.172 0.558 8.615 1.00 0.39 O ATOM 742 CB TYR A 48 -0.917 1.874 10.395 1.00 0.41 C ATOM 743 CG TYR A 48 -0.597 3.346 10.236 1.00 0.55 C ATOM 744 CD1 TYR A 48 -1.464 4.201 9.563 1.00 0.91 C ATOM 745 CD2 TYR A 48 0.568 3.882 10.765 1.00 1.47 C ATOM 746 CE1 TYR A 48 -1.175 5.545 9.419 1.00 1.00 C ATOM 747 CE2 TYR A 48 0.863 5.224 10.627 1.00 1.79 C ATOM 748 CZ TYR A 48 -0.009 6.051 9.955 1.00 1.23 C ATOM 749 OH TYR A 48 0.297 7.385 9.810 1.00 1.60 O ATOM 0 H TYR A 48 -0.860 -0.788 9.851 1.00 0.34 H new ATOM 0 HA TYR A 48 -1.899 1.642 8.514 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.821 1.773 10.996 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -0.110 1.396 10.951 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -2.379 3.808 9.146 1.00 0.91 H new ATOM 0 HD2 TYR A 48 1.256 3.239 11.294 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -1.857 6.194 8.891 1.00 1.00 H new ATOM 0 HE2 TYR A 48 1.775 5.624 11.045 1.00 1.79 H new ATOM 0 HH TYR A 48 1.153 7.574 10.248 1.00 1.60 H new ATOM 759 N ILE A 49 0.052 1.807 7.117 1.00 0.42 N ATOM 760 CA ILE A 49 1.162 1.955 6.212 1.00 0.44 C ATOM 761 C ILE A 49 1.820 3.287 6.479 1.00 0.42 C ATOM 762 O ILE A 49 1.306 4.336 6.104 1.00 0.52 O ATOM 763 CB ILE A 49 0.704 1.877 4.737 1.00 0.52 C ATOM 764 CG1 ILE A 49 0.129 0.490 4.432 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.858 2.201 3.800 1.00 0.58 C ATOM 766 CD1 ILE A 49 -0.322 0.313 2.996 1.00 1.20 C ATOM 0 H ILE A 49 -0.805 2.263 6.803 1.00 0.42 H new ATOM 0 HA ILE A 49 1.867 1.140 6.378 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.080 2.617 4.577 1.00 0.52 H new ATOM 0 HG12 ILE A 49 0.883 -0.263 4.661 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -0.717 0.305 5.093 1.00 0.62 H new ATOM 0 HG21 ILE A 49 1.516 2.141 2.767 1.00 0.58 H new ATOM 0 HG22 ILE A 49 2.220 3.209 4.004 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.666 1.486 3.957 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -0.716 -0.694 2.860 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.100 1.041 2.766 1.00 1.20 H new ATOM 0 HD13 ILE A 49 0.525 0.464 2.327 1.00 1.20 H new ATOM 778 N LYS A 50 2.931 3.248 7.168 1.00 0.36 N ATOM 779 CA LYS A 50 3.599 4.463 7.553 1.00 0.37 C ATOM 780 C LYS A 50 4.970 4.532 6.937 1.00 0.35 C ATOM 781 O LYS A 50 5.583 3.516 6.626 1.00 0.36 O ATOM 782 CB LYS A 50 3.672 4.620 9.074 1.00 0.44 C ATOM 783 CG LYS A 50 4.436 3.530 9.805 1.00 0.93 C ATOM 784 CD LYS A 50 4.384 3.766 11.305 1.00 0.88 C ATOM 785 CE LYS A 50 5.129 2.695 12.076 1.00 1.35 C ATOM 786 NZ LYS A 50 4.993 2.886 13.544 1.00 1.86 N ATOM 0 H LYS A 50 3.391 2.390 7.473 1.00 0.36 H new ATOM 0 HA LYS A 50 3.007 5.296 7.174 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.135 5.580 9.301 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.656 4.655 9.468 1.00 0.44 H new ATOM 0 HG2 LYS A 50 4.009 2.556 9.568 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.472 3.514 9.468 1.00 0.93 H new ATOM 0 HD2 LYS A 50 4.813 4.742 11.533 1.00 0.88 H new ATOM 0 HD3 LYS A 50 3.344 3.791 11.632 1.00 0.88 H new ATOM 0 HE2 LYS A 50 4.746 1.713 11.799 1.00 1.35 H new ATOM 0 HE3 LYS A 50 6.184 2.715 11.802 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 5.515 2.136 14.041 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 5.381 3.813 13.811 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 3.988 2.842 13.808 1.00 1.86 H new ATOM 800 N SER A 51 5.429 5.737 6.755 1.00 0.40 N ATOM 801 CA SER A 51 6.730 5.982 6.236 1.00 0.39 C ATOM 802 C SER A 51 7.723 5.814 7.349 1.00 0.39 C ATOM 803 O SER A 51 7.480 6.223 8.485 1.00 0.48 O ATOM 804 CB SER A 51 6.769 7.434 5.749 1.00 0.48 C ATOM 805 OG SER A 51 8.008 7.762 5.157 1.00 1.10 O ATOM 0 H SER A 51 4.899 6.582 6.967 1.00 0.40 H new ATOM 0 HA SER A 51 6.965 5.297 5.422 1.00 0.39 H new ATOM 0 HB2 SER A 51 5.969 7.595 5.027 1.00 0.48 H new ATOM 0 HB3 SER A 51 6.580 8.103 6.589 1.00 0.48 H new ATOM 0 HG SER A 51 7.991 8.695 4.859 1.00 1.10 H new ATOM 811 N THR A 52 8.826 5.179 7.023 1.00 0.35 N ATOM 812 CA THR A 52 9.944 5.188 7.900 1.00 0.41 C ATOM 813 C THR A 52 10.565 6.551 7.717 1.00 0.45 C ATOM 814 O THR A 52 10.087 7.525 8.301 1.00 0.53 O ATOM 815 CB THR A 52 10.928 4.052 7.577 1.00 0.43 C ATOM 816 OG1 THR A 52 10.219 2.807 7.562 1.00 0.62 O ATOM 817 CG2 THR A 52 12.036 3.984 8.607 1.00 0.77 C ATOM 0 H THR A 52 8.960 4.656 6.158 1.00 0.35 H new ATOM 0 HA THR A 52 9.655 5.015 8.937 1.00 0.41 H new ATOM 0 HB THR A 52 11.375 4.246 6.602 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.954 2.592 6.643 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.718 3.172 8.355 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.582 4.927 8.616 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.606 3.804 9.592 1.00 0.77 H new ATOM 825 N GLU A 53 11.602 6.665 6.940 1.00 0.46 N ATOM 826 CA GLU A 53 11.987 8.007 6.545 1.00 0.53 C ATOM 827 C GLU A 53 11.342 8.351 5.214 1.00 0.44 C ATOM 828 O GLU A 53 10.731 9.404 5.050 1.00 0.47 O ATOM 829 CB GLU A 53 13.501 8.160 6.447 1.00 0.68 C ATOM 830 CG GLU A 53 14.214 8.041 7.780 1.00 1.43 C ATOM 831 CD GLU A 53 15.638 8.533 7.701 1.00 1.83 C ATOM 832 OE1 GLU A 53 16.468 7.857 7.058 1.00 2.55 O ATOM 833 OE2 GLU A 53 15.932 9.615 8.253 1.00 2.11 O ATOM 0 H GLU A 53 12.174 5.901 6.579 1.00 0.46 H new ATOM 0 HA GLU A 53 11.638 8.696 7.315 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.891 7.402 5.768 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.731 9.130 6.007 1.00 0.68 H new ATOM 0 HG2 GLU A 53 13.673 8.613 8.534 1.00 1.43 H new ATOM 0 HG3 GLU A 53 14.207 7.000 8.104 1.00 1.43 H new ATOM 840 N THR A 54 11.475 7.423 4.282 1.00 0.36 N ATOM 841 CA THR A 54 10.996 7.591 2.919 1.00 0.30 C ATOM 842 C THR A 54 9.849 6.658 2.525 1.00 0.31 C ATOM 843 O THR A 54 9.656 6.423 1.341 1.00 0.38 O ATOM 844 CB THR A 54 12.153 7.413 1.935 1.00 0.40 C ATOM 845 OG1 THR A 54 12.994 6.338 2.373 1.00 1.13 O ATOM 846 CG2 THR A 54 12.966 8.694 1.822 1.00 0.93 C ATOM 0 H THR A 54 11.923 6.522 4.451 1.00 0.36 H new ATOM 0 HA THR A 54 10.592 8.602 2.876 1.00 0.30 H new ATOM 0 HB THR A 54 11.744 7.179 0.952 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.685 6.168 1.700 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.784 8.545 1.117 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.325 9.502 1.469 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.372 8.954 2.799 1.00 0.93 H new ATOM 854 N GLY A 55 9.101 6.099 3.462 1.00 0.33 N ATOM 855 CA GLY A 55 8.344 4.918 3.098 1.00 0.40 C ATOM 856 C GLY A 55 6.938 5.156 2.595 1.00 0.46 C ATOM 857 O GLY A 55 6.426 4.296 1.892 1.00 0.56 O ATOM 0 H GLY A 55 9.004 6.421 4.425 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.897 4.380 2.328 1.00 0.40 H new ATOM 0 HA3 GLY A 55 8.291 4.263 3.968 1.00 0.40 H new ATOM 861 N GLN A 56 6.343 6.310 2.919 1.00 0.43 N ATOM 862 CA GLN A 56 5.144 6.822 2.227 1.00 0.54 C ATOM 863 C GLN A 56 4.328 7.763 3.100 1.00 0.56 C ATOM 864 O GLN A 56 3.961 7.444 4.229 1.00 0.63 O ATOM 865 CB GLN A 56 4.207 5.705 1.754 1.00 0.81 C ATOM 866 CG GLN A 56 3.010 6.216 0.984 1.00 0.91 C ATOM 867 CD GLN A 56 3.394 7.150 -0.147 1.00 1.20 C ATOM 868 OE1 GLN A 56 2.512 8.076 -0.482 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 4.468 7.038 -0.723 1.00 1.06 N flip ATOM 0 H GLN A 56 6.675 6.918 3.667 1.00 0.43 H new ATOM 0 HA GLN A 56 5.538 7.359 1.364 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.767 5.013 1.125 1.00 0.81 H new ATOM 0 HB3 GLN A 56 3.860 5.140 2.619 1.00 0.81 H new ATOM 0 HG2 GLN A 56 2.457 5.369 0.578 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.339 6.737 1.667 1.00 0.91 H new ATOM 0 HE21 GLN A 56 5.126 6.312 -0.439 1.00 1.06 H new ATOM 0 HE22 GLN A 56 4.705 7.671 -1.487 1.00 1.06 H new ATOM 878 N TYR A 57 3.971 8.892 2.525 1.00 0.57 N ATOM 879 CA TYR A 57 3.088 9.829 3.166 1.00 0.62 C ATOM 880 C TYR A 57 1.731 9.729 2.486 1.00 0.59 C ATOM 881 O TYR A 57 1.244 10.691 1.902 1.00 0.67 O ATOM 882 CB TYR A 57 3.652 11.237 3.018 1.00 0.76 C ATOM 883 CG TYR A 57 5.125 11.365 3.348 1.00 1.77 C ATOM 884 CD1 TYR A 57 6.104 11.042 2.417 1.00 2.59 C ATOM 885 CD2 TYR A 57 5.535 11.789 4.607 1.00 2.17 C ATOM 886 CE1 TYR A 57 7.446 11.139 2.732 1.00 3.64 C ATOM 887 CE2 TYR A 57 6.870 11.885 4.930 1.00 3.20 C ATOM 888 CZ TYR A 57 7.833 11.642 3.915 1.00 3.91 C ATOM 889 OH TYR A 57 9.153 11.645 4.317 1.00 4.98 O ATOM 0 H TYR A 57 4.288 9.181 1.600 1.00 0.57 H new ATOM 0 HA TYR A 57 2.989 9.607 4.229 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.492 11.572 1.993 1.00 0.76 H new ATOM 0 HB3 TYR A 57 3.089 11.910 3.665 1.00 0.76 H new ATOM 0 HD1 TYR A 57 5.812 10.710 1.432 1.00 2.59 H new ATOM 0 HD2 TYR A 57 4.792 12.048 5.346 1.00 2.17 H new ATOM 0 HE1 TYR A 57 8.189 10.808 2.021 1.00 3.64 H new ATOM 0 HE2 TYR A 57 7.178 12.140 5.933 1.00 3.20 H new ATOM 0 HH TYR A 57 9.444 10.726 4.493 1.00 4.98 H new ATOM 899 N LEU A 58 1.139 8.546 2.548 1.00 0.55 N ATOM 900 CA LEU A 58 -0.033 8.224 1.739 1.00 0.58 C ATOM 901 C LEU A 58 -1.328 8.778 2.314 1.00 0.56 C ATOM 902 O LEU A 58 -1.513 8.867 3.527 1.00 0.72 O ATOM 903 CB LEU A 58 -0.161 6.708 1.585 1.00 0.70 C ATOM 904 CG LEU A 58 -0.375 6.213 0.157 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.159 4.708 0.083 1.00 1.59 C ATOM 906 CD2 LEU A 58 -1.769 6.557 -0.343 1.00 1.85 C ATOM 0 H LEU A 58 1.451 7.787 3.153 1.00 0.55 H new ATOM 0 HA LEU A 58 0.121 8.698 0.770 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.741 6.242 1.982 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -0.994 6.366 2.199 1.00 0.70 H new ATOM 0 HG LEU A 58 0.352 6.715 -0.482 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.315 4.368 -0.941 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.859 4.471 0.393 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.866 4.206 0.743 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -1.890 6.191 -1.363 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.513 6.088 0.302 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -1.905 7.638 -0.327 1.00 1.85 H new ATOM 918 N ALA A 59 -2.200 9.188 1.406 1.00 0.47 N ATOM 919 CA ALA A 59 -3.550 9.590 1.734 1.00 0.46 C ATOM 920 C ALA A 59 -4.505 9.089 0.652 1.00 0.46 C ATOM 921 O ALA A 59 -4.249 9.276 -0.536 1.00 0.51 O ATOM 922 CB ALA A 59 -3.634 11.102 1.871 1.00 0.54 C ATOM 0 H ALA A 59 -1.983 9.250 0.411 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.836 9.151 2.690 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.656 11.389 2.118 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.963 11.433 2.663 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -3.343 11.569 0.930 1.00 0.54 H new ATOM 928 N MET A 60 -5.589 8.442 1.037 1.00 0.48 N ATOM 929 CA MET A 60 -6.615 8.096 0.060 1.00 0.52 C ATOM 930 C MET A 60 -7.554 9.273 -0.146 1.00 0.55 C ATOM 931 O MET A 60 -8.010 9.886 0.820 1.00 0.74 O ATOM 932 CB MET A 60 -7.425 6.890 0.518 1.00 0.66 C ATOM 933 CG MET A 60 -6.688 5.572 0.401 1.00 1.76 C ATOM 934 SD MET A 60 -7.785 4.164 0.635 1.00 2.80 S ATOM 935 CE MET A 60 -8.449 4.527 2.255 1.00 3.74 C ATOM 0 H MET A 60 -5.784 8.149 1.994 1.00 0.48 H new ATOM 0 HA MET A 60 -6.115 7.849 -0.876 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.722 7.038 1.556 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.341 6.836 -0.070 1.00 0.66 H new ATOM 0 HG2 MET A 60 -6.217 5.506 -0.580 1.00 1.76 H new ATOM 0 HG3 MET A 60 -5.889 5.536 1.142 1.00 1.76 H new ATOM 0 HE1 MET A 60 -8.573 3.599 2.814 1.00 3.74 H new ATOM 0 HE2 MET A 60 -7.764 5.184 2.790 1.00 3.74 H new ATOM 0 HE3 MET A 60 -9.416 5.019 2.150 1.00 3.74 H new ATOM 945 N ASP A 61 -7.846 9.596 -1.401 1.00 0.51 N ATOM 946 CA ASP A 61 -8.718 10.722 -1.688 1.00 0.56 C ATOM 947 C ASP A 61 -9.923 10.259 -2.438 1.00 0.56 C ATOM 948 O ASP A 61 -9.842 9.742 -3.560 1.00 0.64 O ATOM 949 CB ASP A 61 -8.006 11.842 -2.421 1.00 0.71 C ATOM 950 CG ASP A 61 -8.953 12.908 -2.939 1.00 1.02 C ATOM 951 OD1 ASP A 61 -9.726 13.469 -2.136 1.00 1.58 O ATOM 952 OD2 ASP A 61 -8.953 13.167 -4.161 1.00 1.34 O ATOM 0 H ASP A 61 -7.497 9.101 -2.222 1.00 0.51 H new ATOM 0 HA ASP A 61 -9.036 11.141 -0.734 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.280 12.303 -1.751 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.447 11.423 -3.258 1.00 0.71 H new ATOM 957 N THR A 62 -11.031 10.407 -1.756 1.00 0.65 N ATOM 958 CA THR A 62 -12.292 9.793 -2.130 1.00 0.83 C ATOM 959 C THR A 62 -12.196 8.257 -2.045 1.00 0.87 C ATOM 960 O THR A 62 -13.211 7.583 -1.921 1.00 1.31 O ATOM 961 CB THR A 62 -12.723 10.240 -3.535 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.705 11.673 -3.614 1.00 1.47 O ATOM 963 CG2 THR A 62 -14.118 9.744 -3.852 1.00 1.55 C ATOM 0 H THR A 62 -11.089 10.969 -0.906 1.00 0.65 H new ATOM 0 HA THR A 62 -13.054 10.124 -1.425 1.00 0.83 H new ATOM 0 HB THR A 62 -12.025 9.818 -4.258 1.00 0.97 H new ATOM 0 HG1 THR A 62 -12.979 11.955 -4.512 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.402 10.072 -4.852 1.00 1.55 H new ATOM 0 HG22 THR A 62 -14.135 8.655 -3.809 1.00 1.55 H new ATOM 0 HG23 THR A 62 -14.822 10.147 -3.124 1.00 1.55 H new ATOM 971 N ASP A 63 -10.942 7.756 -2.081 1.00 0.78 N ATOM 972 CA ASP A 63 -10.563 6.336 -1.992 1.00 0.88 C ATOM 973 C ASP A 63 -10.521 5.781 -3.399 1.00 0.87 C ATOM 974 O ASP A 63 -10.358 4.588 -3.633 1.00 0.96 O ATOM 975 CB ASP A 63 -11.502 5.517 -1.110 1.00 1.05 C ATOM 976 CG ASP A 63 -11.576 5.995 0.323 1.00 1.19 C ATOM 977 OD1 ASP A 63 -11.456 7.211 0.560 1.00 1.54 O ATOM 978 OD2 ASP A 63 -11.715 5.151 1.228 1.00 1.42 O ATOM 0 H ASP A 63 -10.129 8.364 -2.178 1.00 0.78 H new ATOM 0 HA ASP A 63 -9.586 6.265 -1.515 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -12.502 5.541 -1.542 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -11.176 4.477 -1.119 1.00 1.05 H new ATOM 983 N GLY A 64 -10.645 6.712 -4.327 1.00 0.82 N ATOM 984 CA GLY A 64 -10.686 6.383 -5.740 1.00 0.89 C ATOM 985 C GLY A 64 -9.321 6.487 -6.374 1.00 0.90 C ATOM 986 O GLY A 64 -8.934 5.670 -7.204 1.00 1.17 O ATOM 0 H GLY A 64 -10.720 7.709 -4.125 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.071 5.371 -5.868 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.377 7.054 -6.251 1.00 0.89 H new ATOM 990 N LEU A 65 -8.597 7.510 -5.990 1.00 0.72 N ATOM 991 CA LEU A 65 -7.198 7.636 -6.363 1.00 0.71 C ATOM 992 C LEU A 65 -6.400 7.901 -5.108 1.00 0.67 C ATOM 993 O LEU A 65 -6.717 8.810 -4.330 1.00 0.79 O ATOM 994 CB LEU A 65 -6.964 8.747 -7.382 1.00 0.74 C ATOM 995 CG LEU A 65 -7.938 8.770 -8.555 1.00 1.41 C ATOM 996 CD1 LEU A 65 -7.791 10.058 -9.347 1.00 2.03 C ATOM 997 CD2 LEU A 65 -7.722 7.570 -9.461 1.00 2.04 C ATOM 0 H LEU A 65 -8.951 8.275 -5.416 1.00 0.72 H new ATOM 0 HA LEU A 65 -6.879 6.709 -6.839 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.017 9.707 -6.868 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -5.951 8.651 -7.774 1.00 0.74 H new ATOM 0 HG LEU A 65 -8.950 8.721 -8.153 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -8.494 10.055 -10.180 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -7.999 10.909 -8.699 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -6.774 10.135 -9.731 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -8.428 7.608 -10.290 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -6.704 7.587 -9.850 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -7.878 6.653 -8.893 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.406 7.075 -4.886 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.692 7.087 -3.632 1.00 0.68 C ATOM 1011 C LEU A 66 -3.278 7.650 -3.833 1.00 0.63 C ATOM 1012 O LEU A 66 -2.403 7.014 -4.423 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.647 5.640 -3.095 1.00 0.90 C ATOM 1014 CG LEU A 66 -5.998 4.862 -3.062 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -6.572 4.614 -4.452 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -5.839 3.514 -2.402 1.00 1.56 C ATOM 0 H LEU A 66 -5.073 6.385 -5.559 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.197 7.728 -2.909 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.943 5.073 -3.704 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -4.244 5.665 -2.082 1.00 0.90 H new ATOM 0 HG LEU A 66 -6.678 5.498 -2.495 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -7.512 4.069 -4.366 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -6.750 5.568 -4.948 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -5.865 4.027 -5.038 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -6.799 2.997 -2.395 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -5.111 2.921 -2.956 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -5.492 3.649 -1.378 1.00 1.56 H new ATOM 1028 N TYR A 67 -3.032 8.843 -3.325 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.747 9.460 -3.547 1.00 0.63 C ATOM 1030 C TYR A 67 -1.225 9.988 -2.243 1.00 0.70 C ATOM 1031 O TYR A 67 -1.997 10.422 -1.404 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.833 10.563 -4.609 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.507 11.840 -4.157 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.889 11.908 -4.056 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.767 12.966 -3.821 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.516 13.060 -3.629 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.388 14.124 -3.396 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.726 14.202 -3.353 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.391 15.313 -2.866 1.00 1.64 O ATOM 0 H TYR A 67 -3.690 9.390 -2.770 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.052 8.713 -3.930 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.824 10.802 -4.944 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.371 10.173 -5.473 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.484 11.045 -4.316 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.690 12.936 -3.893 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.589 13.090 -3.508 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -1.792 14.973 -3.096 1.00 1.16 H new ATOM 0 HH TYR A 67 -3.749 16.037 -2.711 1.00 1.64 H new ATOM 1049 N GLY A 68 0.070 10.055 -2.109 1.00 0.66 N ATOM 1050 CA GLY A 68 0.629 10.478 -0.861 1.00 0.80 C ATOM 1051 C GLY A 68 1.993 11.044 -1.041 1.00 0.81 C ATOM 1052 O GLY A 68 2.830 10.447 -1.717 1.00 0.85 O ATOM 0 H GLY A 68 0.747 9.826 -2.837 1.00 0.66 H new ATOM 0 HA2 GLY A 68 -0.020 11.226 -0.405 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.672 9.632 -0.175 1.00 0.80 H new ATOM 1056 N SER A 69 2.230 12.200 -0.477 1.00 0.91 N ATOM 1057 CA SER A 69 3.539 12.792 -0.624 1.00 1.08 C ATOM 1058 C SER A 69 3.988 13.623 0.573 1.00 1.38 C ATOM 1059 O SER A 69 5.115 13.495 1.037 1.00 1.62 O ATOM 1060 CB SER A 69 3.574 13.652 -1.880 1.00 1.08 C ATOM 1061 OG SER A 69 3.254 12.873 -3.010 1.00 1.39 O ATOM 0 H SER A 69 1.560 12.738 0.072 1.00 0.91 H new ATOM 0 HA SER A 69 4.239 11.960 -0.698 1.00 1.08 H new ATOM 0 HB2 SER A 69 2.867 14.477 -1.785 1.00 1.08 H new ATOM 0 HB3 SER A 69 4.564 14.093 -2.001 1.00 1.08 H new ATOM 0 HG SER A 69 4.077 12.518 -3.406 1.00 1.39 H new ATOM 1067 N GLN A 70 3.125 14.508 1.041 1.00 1.49 N ATOM 1068 CA GLN A 70 3.540 15.464 2.072 1.00 1.85 C ATOM 1069 C GLN A 70 3.407 14.924 3.492 1.00 1.93 C ATOM 1070 O GLN A 70 4.328 15.030 4.300 1.00 2.19 O ATOM 1071 CB GLN A 70 2.714 16.745 1.959 1.00 2.07 C ATOM 1072 CG GLN A 70 2.782 17.407 0.596 1.00 2.63 C ATOM 1073 CD GLN A 70 1.965 18.680 0.537 1.00 3.22 C ATOM 1074 OE1 GLN A 70 0.779 18.661 0.213 1.00 3.66 O ATOM 1075 NE2 GLN A 70 2.595 19.797 0.858 1.00 3.79 N ATOM 0 H GLN A 70 2.155 14.591 0.738 1.00 1.49 H new ATOM 0 HA GLN A 70 4.597 15.659 1.893 1.00 1.85 H new ATOM 0 HB2 GLN A 70 1.673 16.515 2.188 1.00 2.07 H new ATOM 0 HB3 GLN A 70 3.057 17.454 2.713 1.00 2.07 H new ATOM 0 HG2 GLN A 70 3.821 17.633 0.355 1.00 2.63 H new ATOM 0 HG3 GLN A 70 2.423 16.711 -0.162 1.00 2.63 H new ATOM 0 HE21 GLN A 70 3.580 19.769 1.121 1.00 3.79 H new ATOM 0 HE22 GLN A 70 2.096 20.686 0.842 1.00 3.79 H new ATOM 1084 N THR A 71 2.258 14.337 3.771 1.00 1.75 N ATOM 1085 CA THR A 71 1.905 13.950 5.129 1.00 1.78 C ATOM 1086 C THR A 71 1.335 12.538 5.153 1.00 1.56 C ATOM 1087 O THR A 71 0.777 12.094 4.155 1.00 1.63 O ATOM 1088 CB THR A 71 0.862 14.939 5.697 1.00 1.94 C ATOM 1089 OG1 THR A 71 1.217 16.279 5.331 1.00 2.26 O ATOM 1090 CG2 THR A 71 0.765 14.849 7.214 1.00 2.31 C ATOM 0 H THR A 71 1.548 14.116 3.073 1.00 1.75 H new ATOM 0 HA THR A 71 2.805 13.974 5.743 1.00 1.78 H new ATOM 0 HB THR A 71 -0.107 14.673 5.275 1.00 1.94 H new ATOM 0 HG1 THR A 71 0.553 16.903 5.691 1.00 2.26 H new ATOM 0 HG21 THR A 71 0.021 15.560 7.574 1.00 2.31 H new ATOM 0 HG22 THR A 71 0.470 13.839 7.500 1.00 2.31 H new ATOM 0 HG23 THR A 71 1.734 15.083 7.655 1.00 2.31 H new ATOM 1098 N PRO A 72 1.420 11.819 6.279 1.00 1.41 N ATOM 1099 CA PRO A 72 0.632 10.627 6.471 1.00 1.20 C ATOM 1100 C PRO A 72 -0.410 10.835 7.572 1.00 1.04 C ATOM 1101 O PRO A 72 -0.120 10.794 8.770 1.00 1.06 O ATOM 1102 CB PRO A 72 1.700 9.649 6.950 1.00 1.31 C ATOM 1103 CG PRO A 72 2.722 10.503 7.669 1.00 1.49 C ATOM 1104 CD PRO A 72 2.398 11.955 7.353 1.00 1.53 C ATOM 0 HA PRO A 72 0.077 10.312 5.588 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.276 8.897 7.616 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.151 9.116 6.113 1.00 1.31 H new ATOM 0 HG2 PRO A 72 2.684 10.326 8.744 1.00 1.49 H new ATOM 0 HG3 PRO A 72 3.731 10.254 7.340 1.00 1.49 H new ATOM 0 HD2 PRO A 72 1.987 12.479 8.216 1.00 1.53 H new ATOM 0 HD3 PRO A 72 3.280 12.510 7.034 1.00 1.53 H new ATOM 1112 N ASN A 73 -1.637 11.058 7.132 1.00 0.94 N ATOM 1113 CA ASN A 73 -2.750 11.323 8.031 1.00 0.86 C ATOM 1114 C ASN A 73 -3.376 9.986 8.269 1.00 0.68 C ATOM 1115 O ASN A 73 -2.973 9.018 7.593 1.00 0.71 O ATOM 1116 CB ASN A 73 -3.737 12.294 7.362 1.00 0.98 C ATOM 1117 CG ASN A 73 -4.937 12.623 8.229 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -4.846 12.651 9.455 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -6.073 12.872 7.597 1.00 2.17 N ATOM 0 H ASN A 73 -1.890 11.061 6.144 1.00 0.94 H new ATOM 0 HA ASN A 73 -2.441 11.789 8.967 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -3.214 13.217 7.112 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -4.083 11.860 6.424 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -6.914 13.097 8.129 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -6.108 12.839 6.578 1.00 2.17 H new ATOM 1126 N GLU A 74 -4.417 9.839 9.063 1.00 0.59 N ATOM 1127 CA GLU A 74 -5.015 8.592 8.838 1.00 0.47 C ATOM 1128 C GLU A 74 -6.197 8.857 7.969 1.00 0.52 C ATOM 1129 O GLU A 74 -7.308 9.193 8.364 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.438 7.928 10.149 1.00 0.49 C ATOM 1131 CG GLU A 74 -4.305 7.764 11.156 1.00 1.15 C ATOM 1132 CD GLU A 74 -4.153 8.958 12.076 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -4.797 8.985 13.146 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -3.387 9.880 11.728 1.00 2.11 O ATOM 0 H GLU A 74 -4.804 10.473 9.762 1.00 0.59 H new ATOM 0 HA GLU A 74 -4.316 7.903 8.365 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -6.232 8.520 10.604 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -5.859 6.947 9.928 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -4.485 6.871 11.755 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -3.370 7.604 10.619 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.821 8.642 6.744 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.563 8.217 5.613 1.00 0.52 C ATOM 1143 C GLU A 75 -5.692 7.134 4.992 1.00 0.40 C ATOM 1144 O GLU A 75 -6.103 6.411 4.088 1.00 0.47 O ATOM 1145 CB GLU A 75 -6.683 9.380 4.649 1.00 0.69 C ATOM 1146 CG GLU A 75 -7.311 10.622 5.266 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.224 11.829 4.364 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -8.053 11.941 3.439 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -6.324 12.672 4.574 1.00 2.16 O ATOM 0 H GLU A 75 -4.844 8.784 6.489 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.566 7.866 5.856 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -5.692 9.633 4.273 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -7.279 9.070 3.791 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -8.357 10.419 5.495 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -6.815 10.843 6.211 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.405 7.159 5.430 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.385 6.248 4.965 1.00 0.47 C ATOM 1158 C CYS A 76 -3.661 4.805 5.397 1.00 0.40 C ATOM 1159 O CYS A 76 -3.161 3.870 4.785 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.028 6.686 5.517 1.00 0.68 C ATOM 1161 SG CYS A 76 -0.614 5.911 4.705 1.00 1.40 S ATOM 0 H CYS A 76 -4.068 7.828 6.122 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.386 6.276 3.875 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.941 7.768 5.419 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.991 6.458 6.582 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.085 5.031 5.502 1.00 1.40 H new ATOM 1167 N LEU A 77 -4.451 4.622 6.453 1.00 0.37 N ATOM 1168 CA LEU A 77 -4.648 3.293 7.012 1.00 0.46 C ATOM 1169 C LEU A 77 -5.859 2.611 6.403 1.00 0.39 C ATOM 1170 O LEU A 77 -6.863 3.255 6.068 1.00 0.40 O ATOM 1171 CB LEU A 77 -4.741 3.321 8.551 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.577 4.442 9.191 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -7.059 4.296 8.883 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -5.357 4.447 10.696 1.00 1.59 C ATOM 0 H LEU A 77 -4.957 5.368 6.931 1.00 0.37 H new ATOM 0 HA LEU A 77 -3.767 2.706 6.753 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -5.150 2.366 8.881 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -3.728 3.388 8.948 1.00 0.66 H new ATOM 0 HG LEU A 77 -5.247 5.389 8.764 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -7.611 5.109 9.355 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -7.212 4.332 7.804 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -7.418 3.342 9.269 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -5.950 5.242 11.148 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -5.661 3.486 11.111 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -4.301 4.616 10.909 1.00 1.59 H new ATOM 1186 N PHE A 78 -5.752 1.304 6.236 1.00 0.39 N ATOM 1187 CA PHE A 78 -6.819 0.535 5.640 1.00 0.39 C ATOM 1188 C PHE A 78 -7.043 -0.735 6.453 1.00 0.36 C ATOM 1189 O PHE A 78 -6.197 -1.118 7.261 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.512 0.174 4.177 1.00 0.53 C ATOM 1191 CG PHE A 78 -5.599 1.139 3.461 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -6.026 2.421 3.170 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.326 0.760 3.064 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -5.210 3.309 2.504 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -3.502 1.647 2.391 1.00 0.78 C ATOM 1196 CZ PHE A 78 -3.949 2.925 2.112 1.00 0.84 C ATOM 0 H PHE A 78 -4.935 0.757 6.507 1.00 0.39 H new ATOM 0 HA PHE A 78 -7.722 1.146 5.646 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -6.061 -0.818 4.150 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.452 0.112 3.629 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -7.016 2.732 3.470 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -3.973 -0.237 3.282 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -5.561 4.308 2.290 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -2.513 1.341 2.085 1.00 0.78 H new ATOM 0 HZ PHE A 78 -3.310 3.620 1.588 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.188 -1.370 6.258 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.500 -2.601 6.969 1.00 0.37 C ATOM 1208 C LEU A 79 -7.968 -3.774 6.154 1.00 0.35 C ATOM 1209 O LEU A 79 -8.174 -3.832 4.943 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.017 -2.707 7.188 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.479 -3.648 8.311 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -11.924 -3.354 8.675 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -10.338 -5.108 7.904 1.00 1.09 C ATOM 0 H LEU A 79 -8.915 -1.055 5.616 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.027 -2.609 7.951 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.403 -1.709 7.397 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.475 -3.037 6.255 1.00 0.44 H new ATOM 0 HG LEU A 79 -9.842 -3.473 9.178 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.242 -4.026 9.472 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -12.011 -2.322 9.014 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -12.557 -3.503 7.800 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -10.673 -5.747 8.721 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -10.946 -5.300 7.020 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -9.293 -5.324 7.680 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.281 -4.696 6.801 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.604 -5.768 6.078 1.00 0.42 C ATOM 1227 C GLU A 80 -7.407 -7.064 6.087 1.00 0.40 C ATOM 1228 O GLU A 80 -7.620 -7.673 7.137 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.219 -6.035 6.665 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.477 -7.160 5.956 1.00 0.97 C ATOM 1231 CD GLU A 80 -3.157 -7.506 6.606 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -3.170 -8.001 7.751 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -2.104 -7.320 5.960 1.00 2.07 O ATOM 0 H GLU A 80 -7.174 -4.729 7.815 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.506 -5.430 5.046 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -4.625 -5.123 6.608 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.320 -6.284 7.721 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -5.109 -8.048 5.937 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -4.300 -6.873 4.920 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.851 -7.476 4.908 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.525 -8.740 4.744 1.00 0.39 C ATOM 1242 C ARG A 81 -7.872 -9.462 3.583 1.00 0.48 C ATOM 1243 O ARG A 81 -8.084 -9.106 2.435 1.00 0.75 O ATOM 1244 CB ARG A 81 -10.018 -8.527 4.487 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.816 -9.817 4.466 1.00 0.76 C ATOM 1246 CD ARG A 81 -12.303 -9.556 4.308 1.00 1.34 C ATOM 1247 NE ARG A 81 -13.074 -10.793 4.404 1.00 2.05 N ATOM 1248 CZ ARG A 81 -14.326 -10.935 3.968 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -14.984 -9.900 3.463 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -14.929 -12.111 4.074 1.00 3.75 N ATOM 0 H ARG A 81 -7.751 -6.940 4.046 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.439 -9.337 5.652 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.422 -7.871 5.258 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -10.145 -8.014 3.534 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -10.468 -10.447 3.647 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.640 -10.369 5.389 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -12.635 -8.858 5.076 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -12.491 -9.082 3.344 1.00 1.34 H new ATOM 0 HE ARG A 81 -12.625 -11.602 4.833 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -14.532 -8.987 3.406 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -15.942 -10.017 3.132 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -14.435 -12.902 4.488 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -15.887 -12.225 3.742 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.079 -10.465 3.876 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.283 -11.114 2.849 1.00 0.82 C ATOM 1266 C LEU A 82 -6.998 -12.333 2.290 1.00 0.66 C ATOM 1267 O LEU A 82 -7.024 -13.394 2.918 1.00 0.84 O ATOM 1268 CB LEU A 82 -4.918 -11.519 3.421 1.00 1.25 C ATOM 1269 CG LEU A 82 -4.943 -12.155 4.814 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -3.836 -13.188 4.942 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -4.788 -11.093 5.896 1.00 1.65 C ATOM 0 H LEU A 82 -6.964 -10.852 4.813 1.00 0.60 H new ATOM 0 HA LEU A 82 -6.135 -10.405 2.034 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -4.449 -12.220 2.730 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -4.283 -10.634 3.457 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.907 -12.647 4.945 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -3.866 -13.632 5.937 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -3.977 -13.967 4.193 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -2.870 -12.707 4.788 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -4.809 -11.567 6.877 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.838 -10.574 5.764 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -5.606 -10.376 5.822 1.00 1.65 H new ATOM 1283 N GLU A 83 -7.577 -12.178 1.108 1.00 0.76 N ATOM 1284 CA GLU A 83 -8.275 -13.289 0.484 1.00 0.82 C ATOM 1285 C GLU A 83 -7.695 -13.629 -0.876 1.00 1.29 C ATOM 1286 O GLU A 83 -7.971 -12.957 -1.871 1.00 2.03 O ATOM 1287 CB GLU A 83 -9.770 -12.983 0.351 1.00 1.39 C ATOM 1288 CG GLU A 83 -10.594 -13.428 1.549 1.00 1.89 C ATOM 1289 CD GLU A 83 -10.548 -14.930 1.754 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -11.020 -15.673 0.868 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -10.038 -15.382 2.803 1.00 2.36 O ATOM 0 H GLU A 83 -7.578 -11.311 0.571 1.00 0.76 H new ATOM 0 HA GLU A 83 -8.142 -14.155 1.132 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -9.901 -11.910 0.209 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -10.154 -13.472 -0.544 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -10.225 -12.930 2.446 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -11.629 -13.114 1.412 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.903 -14.666 -0.912 1.00 1.26 N ATOM 1299 CA GLU A 84 -6.669 -15.449 -2.101 1.00 1.78 C ATOM 1300 C GLU A 84 -6.327 -16.836 -1.611 1.00 1.46 C ATOM 1301 O GLU A 84 -6.891 -17.306 -0.622 1.00 1.49 O ATOM 1302 CB GLU A 84 -5.543 -14.866 -2.953 1.00 2.65 C ATOM 1303 CG GLU A 84 -5.858 -14.821 -4.444 1.00 3.44 C ATOM 1304 CD GLU A 84 -6.294 -16.161 -4.992 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -5.465 -17.094 -5.028 1.00 4.35 O ATOM 1306 OE2 GLU A 84 -7.476 -16.294 -5.375 1.00 3.98 O ATOM 0 H GLU A 84 -6.389 -15.000 -0.097 1.00 1.26 H new ATOM 0 HA GLU A 84 -7.546 -15.456 -2.748 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -5.324 -13.856 -2.607 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -4.641 -15.458 -2.800 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -6.644 -14.087 -4.622 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -4.976 -14.481 -4.987 1.00 3.44 H new ATOM 1313 N ASN A 85 -5.363 -17.460 -2.250 1.00 1.98 N ATOM 1314 CA ASN A 85 -4.621 -18.516 -1.602 1.00 2.36 C ATOM 1315 C ASN A 85 -3.372 -17.875 -1.000 1.00 1.83 C ATOM 1316 O ASN A 85 -2.248 -18.168 -1.415 1.00 2.36 O ATOM 1317 CB ASN A 85 -4.247 -19.635 -2.577 1.00 3.24 C ATOM 1318 CG ASN A 85 -3.772 -20.893 -1.862 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -3.227 -20.836 -0.759 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -3.982 -22.039 -2.485 1.00 4.33 N ATOM 0 H ASN A 85 -5.077 -17.257 -3.208 1.00 1.98 H new ATOM 0 HA ASN A 85 -5.232 -18.984 -0.831 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -5.110 -19.877 -3.197 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -3.462 -19.283 -3.247 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -3.690 -22.915 -2.053 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -4.437 -22.047 -3.398 1.00 4.33 H new ATOM 1327 N HIS A 86 -3.613 -16.943 -0.062 1.00 1.13 N ATOM 1328 CA HIS A 86 -2.562 -16.179 0.631 1.00 1.29 C ATOM 1329 C HIS A 86 -2.186 -14.911 -0.130 1.00 1.07 C ATOM 1330 O HIS A 86 -1.035 -14.723 -0.524 1.00 1.43 O ATOM 1331 CB HIS A 86 -1.307 -17.011 0.931 1.00 2.00 C ATOM 1332 CG HIS A 86 -1.466 -17.946 2.084 1.00 2.54 C ATOM 1333 ND1 HIS A 86 -1.163 -17.593 3.378 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -1.892 -19.227 2.134 1.00 3.02 C ATOM 1335 CE1 HIS A 86 -1.393 -18.616 4.175 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -1.835 -19.619 3.446 1.00 3.81 N ATOM 0 H HIS A 86 -4.556 -16.696 0.240 1.00 1.13 H new ATOM 0 HA HIS A 86 -2.996 -15.894 1.590 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -1.042 -17.585 0.043 1.00 2.00 H new ATOM 0 HB3 HIS A 86 -0.475 -16.337 1.134 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -2.216 -19.829 1.298 1.00 3.02 H new ATOM 0 HE1 HIS A 86 -1.244 -18.630 5.245 1.00 3.99 H new ATOM 0 HE2 HIS A 86 -2.093 -20.540 3.801 1.00 3.81 H new ATOM 1345 N TYR A 87 -3.171 -14.048 -0.329 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.941 -12.714 -0.873 1.00 0.49 C ATOM 1347 C TYR A 87 -3.738 -11.696 -0.076 1.00 0.46 C ATOM 1348 O TYR A 87 -4.889 -11.944 0.300 1.00 0.61 O ATOM 1349 CB TYR A 87 -3.324 -12.622 -2.350 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.280 -13.158 -3.304 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -2.209 -14.516 -3.579 1.00 1.38 C ATOM 1352 CD2 TYR A 87 -1.356 -12.317 -3.914 1.00 1.67 C ATOM 1353 CE1 TYR A 87 -1.253 -15.022 -4.436 1.00 2.16 C ATOM 1354 CE2 TYR A 87 -0.397 -12.817 -4.770 1.00 2.52 C ATOM 1355 CZ TYR A 87 -0.374 -14.116 -5.085 1.00 2.70 C ATOM 1356 OH TYR A 87 0.611 -14.671 -5.872 1.00 3.60 O ATOM 0 H TYR A 87 -4.149 -14.249 -0.120 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.874 -12.504 -0.795 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -4.254 -13.168 -2.506 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -3.522 -11.579 -2.597 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -2.914 -15.189 -3.114 1.00 1.38 H new ATOM 0 HD2 TYR A 87 -1.390 -11.256 -3.715 1.00 1.67 H new ATOM 0 HE1 TYR A 87 -1.175 -16.085 -4.609 1.00 2.16 H new ATOM 0 HE2 TYR A 87 0.343 -12.152 -5.190 1.00 2.52 H new ATOM 0 HH TYR A 87 1.154 -13.958 -6.268 1.00 3.60 H new ATOM 1366 N ASN A 88 -3.141 -10.541 0.140 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.693 -9.543 1.030 1.00 0.38 C ATOM 1368 C ASN A 88 -4.536 -8.558 0.262 1.00 0.34 C ATOM 1369 O ASN A 88 -4.168 -8.117 -0.825 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.561 -8.799 1.745 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.815 -9.672 2.735 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -2.189 -9.586 4.001 1.00 1.80 O flip ATOM 1373 ND2 ASN A 88 -0.892 -10.398 2.372 1.00 1.60 N flip ATOM 0 H ASN A 88 -2.260 -10.269 -0.297 1.00 0.38 H new ATOM 0 HA ASN A 88 -4.321 -10.046 1.766 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.859 -8.417 1.004 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.973 -7.936 2.268 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -0.632 -10.438 1.387 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -0.386 -10.960 3.056 1.00 1.60 H new ATOM 1380 N THR A 89 -5.672 -8.234 0.832 1.00 0.36 N ATOM 1381 CA THR A 89 -6.568 -7.282 0.245 1.00 0.37 C ATOM 1382 C THR A 89 -6.815 -6.193 1.272 1.00 0.37 C ATOM 1383 O THR A 89 -6.617 -6.421 2.464 1.00 0.40 O ATOM 1384 CB THR A 89 -7.887 -7.965 -0.154 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.609 -9.247 -0.739 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.659 -7.116 -1.150 1.00 0.49 C ATOM 0 H THR A 89 -5.996 -8.626 1.716 1.00 0.36 H new ATOM 0 HA THR A 89 -6.136 -6.855 -0.660 1.00 0.37 H new ATOM 0 HB THR A 89 -8.494 -8.088 0.743 1.00 0.44 H new ATOM 0 HG1 THR A 89 -8.451 -9.681 -0.991 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.588 -7.621 -1.416 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.887 -6.148 -0.703 1.00 0.49 H new ATOM 0 HG23 THR A 89 -8.057 -6.969 -2.046 1.00 0.49 H new ATOM 1394 N TYR A 90 -7.205 -5.015 0.839 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.408 -3.926 1.778 1.00 0.42 C ATOM 1396 C TYR A 90 -8.746 -3.244 1.564 1.00 0.38 C ATOM 1397 O TYR A 90 -9.193 -3.052 0.432 1.00 0.42 O ATOM 1398 CB TYR A 90 -6.266 -2.908 1.686 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.929 -3.461 2.135 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.702 -3.806 3.461 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.889 -3.625 1.231 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.476 -4.297 3.872 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.662 -4.118 1.633 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.483 -4.499 2.967 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.235 -4.941 3.353 1.00 0.87 O ATOM 0 H TYR A 90 -7.386 -4.785 -0.138 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.411 -4.356 2.780 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -6.180 -2.562 0.656 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.514 -2.039 2.295 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.496 -3.689 4.183 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -4.041 -3.363 0.194 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.308 -4.520 4.915 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.851 -4.208 0.926 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.660 -5.026 2.564 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.379 -2.892 2.669 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.600 -2.129 2.655 1.00 0.35 C ATOM 1417 C ILE A 91 -10.226 -0.708 2.942 1.00 0.36 C ATOM 1418 O ILE A 91 -9.339 -0.455 3.752 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.569 -2.600 3.747 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -11.377 -4.085 3.993 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -13.015 -2.282 3.380 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.331 -4.676 5.009 1.00 1.55 C ATOM 0 H ILE A 91 -9.052 -3.133 3.605 1.00 0.35 H new ATOM 0 HA ILE A 91 -11.093 -2.248 1.690 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.348 -2.060 4.668 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -11.495 -4.616 3.049 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -10.354 -4.257 4.329 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -13.677 -2.628 4.174 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -13.130 -1.205 3.255 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -13.273 -2.785 2.448 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -12.126 -5.740 5.125 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -12.198 -4.174 5.968 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -13.357 -4.540 4.667 1.00 1.55 H new ATOM 1434 N SER A 92 -10.910 0.213 2.338 1.00 0.36 N ATOM 1435 CA SER A 92 -10.510 1.583 2.424 1.00 0.40 C ATOM 1436 C SER A 92 -11.129 2.182 3.655 1.00 0.43 C ATOM 1437 O SER A 92 -12.276 2.591 3.654 1.00 0.53 O ATOM 1438 CB SER A 92 -10.937 2.324 1.157 1.00 0.47 C ATOM 1439 OG SER A 92 -12.303 2.099 0.867 1.00 1.33 O ATOM 0 H SER A 92 -11.747 0.042 1.781 1.00 0.36 H new ATOM 0 HA SER A 92 -9.426 1.666 2.502 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.760 3.392 1.281 1.00 0.47 H new ATOM 0 HB3 SER A 92 -10.325 1.995 0.317 1.00 0.47 H new ATOM 0 HG SER A 92 -12.827 2.159 1.693 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.343 2.210 4.724 1.00 0.44 N ATOM 1446 CA LYS A 93 -10.841 2.647 6.016 1.00 0.54 C ATOM 1447 C LYS A 93 -11.147 4.142 6.029 1.00 0.57 C ATOM 1448 O LYS A 93 -11.762 4.648 6.967 1.00 0.72 O ATOM 1449 CB LYS A 93 -9.800 2.332 7.084 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.309 1.411 8.169 1.00 0.84 C ATOM 1451 CD LYS A 93 -9.279 1.237 9.272 1.00 1.27 C ATOM 1452 CE LYS A 93 -9.895 0.658 10.533 1.00 1.20 C ATOM 1453 NZ LYS A 93 -10.806 1.624 11.200 1.00 1.58 N ATOM 0 H LYS A 93 -9.361 1.935 4.719 1.00 0.44 H new ATOM 0 HA LYS A 93 -11.771 2.115 6.219 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -8.931 1.876 6.610 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -9.463 3.264 7.538 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -11.230 1.814 8.589 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -10.553 0.439 7.740 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -8.481 0.582 8.924 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -8.824 2.201 9.499 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -10.447 -0.248 10.284 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -9.103 0.369 11.224 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -10.964 1.329 12.185 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.377 2.571 11.187 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -11.715 1.649 10.696 1.00 1.58 H new ATOM 1467 N LYS A 94 -10.810 4.814 4.942 1.00 0.52 N ATOM 1468 CA LYS A 94 -11.228 6.192 4.736 1.00 0.67 C ATOM 1469 C LYS A 94 -12.739 6.197 4.594 1.00 0.79 C ATOM 1470 O LYS A 94 -13.457 6.667 5.477 1.00 0.97 O ATOM 1471 CB LYS A 94 -10.555 6.796 3.488 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.006 8.212 3.149 1.00 1.21 C ATOM 1473 CD LYS A 94 -10.506 9.209 4.183 1.00 1.56 C ATOM 1474 CE LYS A 94 -11.102 10.590 3.974 1.00 2.00 C ATOM 1475 NZ LYS A 94 -10.538 11.265 2.781 1.00 2.32 N ATOM 0 H LYS A 94 -10.246 4.427 4.185 1.00 0.52 H new ATOM 0 HA LYS A 94 -10.926 6.807 5.584 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -9.475 6.798 3.638 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -10.756 6.150 2.634 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -10.634 8.489 2.163 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.094 8.248 3.101 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -10.758 8.853 5.182 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -9.419 9.271 4.131 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -12.183 10.505 3.865 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -10.918 11.202 4.857 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -11.261 11.879 2.355 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -9.718 11.840 3.062 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -10.238 10.551 2.087 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.217 5.665 3.484 1.00 0.76 N ATOM 1490 CA HIS A 95 -14.634 5.401 3.321 1.00 0.96 C ATOM 1491 C HIS A 95 -14.985 3.964 3.702 1.00 1.01 C ATOM 1492 O HIS A 95 -15.737 3.294 2.986 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.087 5.705 1.892 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.094 7.165 1.567 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -13.997 7.832 1.070 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.074 8.091 1.677 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -14.300 9.098 0.889 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -15.553 9.284 1.248 1.00 2.32 N ATOM 0 H HIS A 95 -12.643 5.407 2.681 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.169 6.065 4.000 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.429 5.188 1.193 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.089 5.303 1.744 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -13.090 7.409 0.873 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -17.079 7.922 2.036 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -13.633 9.858 0.510 1.00 2.27 H new ATOM 1507 N ALA A 96 -14.455 3.497 4.835 1.00 0.94 N ATOM 1508 CA ALA A 96 -14.695 2.124 5.292 1.00 1.02 C ATOM 1509 C ALA A 96 -16.179 1.858 5.446 1.00 1.03 C ATOM 1510 O ALA A 96 -16.657 0.748 5.202 1.00 1.05 O ATOM 1511 CB ALA A 96 -13.983 1.860 6.609 1.00 1.18 C ATOM 0 H ALA A 96 -13.858 4.047 5.452 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.295 1.448 4.536 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.176 0.836 6.928 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -12.910 2.004 6.478 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -14.352 2.551 7.367 1.00 1.18 H new ATOM 1517 N GLU A 97 -16.893 2.903 5.838 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.336 2.856 6.012 1.00 1.16 C ATOM 1519 C GLU A 97 -19.044 2.268 4.793 1.00 1.07 C ATOM 1520 O GLU A 97 -20.056 1.581 4.930 1.00 1.18 O ATOM 1521 CB GLU A 97 -18.855 4.272 6.258 1.00 1.30 C ATOM 1522 CG GLU A 97 -18.368 5.268 5.217 1.00 2.04 C ATOM 1523 CD GLU A 97 -19.083 6.597 5.287 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -18.631 7.480 6.040 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -20.084 6.768 4.566 1.00 3.42 O ATOM 0 H GLU A 97 -16.484 3.814 6.046 1.00 1.07 H new ATOM 0 HA GLU A 97 -18.549 2.210 6.864 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -19.945 4.259 6.260 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -18.538 4.603 7.247 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -17.298 5.430 5.351 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -18.504 4.841 4.223 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.510 2.531 3.605 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.187 2.135 2.380 1.00 0.88 C ATOM 1534 C LYS A 98 -18.680 0.793 1.851 1.00 0.83 C ATOM 1535 O LYS A 98 -19.186 0.300 0.840 1.00 0.83 O ATOM 1536 CB LYS A 98 -18.993 3.218 1.317 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.386 4.610 1.788 1.00 1.41 C ATOM 1538 CD LYS A 98 -19.387 5.606 0.641 1.00 1.98 C ATOM 1539 CE LYS A 98 -19.608 7.031 1.128 1.00 2.14 C ATOM 1540 NZ LYS A 98 -20.788 7.144 2.025 1.00 2.65 N ATOM 0 H LYS A 98 -17.621 3.011 3.467 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.246 2.018 2.608 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -17.948 3.229 1.008 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.582 2.961 0.437 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -20.376 4.576 2.242 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -18.693 4.943 2.560 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -18.438 5.547 0.108 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -20.169 5.340 -0.070 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -18.719 7.374 1.656 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -19.743 7.689 0.270 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -21.011 8.148 2.181 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -21.604 6.672 1.586 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -20.576 6.691 2.937 1.00 2.65 H new ATOM 1554 N ASN A 99 -17.663 0.233 2.510 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.177 -1.124 2.215 1.00 0.84 C ATOM 1556 C ASN A 99 -16.335 -1.122 0.936 1.00 0.68 C ATOM 1557 O ASN A 99 -16.208 -2.139 0.254 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.327 -2.143 2.130 1.00 1.01 C ATOM 1559 CG ASN A 99 -17.860 -3.583 2.317 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -17.707 -4.054 3.446 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -17.661 -4.302 1.223 1.00 2.00 N ATOM 0 H ASN A 99 -17.153 0.701 3.259 1.00 0.82 H new ATOM 0 HA ASN A 99 -16.543 -1.438 3.044 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.072 -1.907 2.890 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.818 -2.049 1.162 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -17.372 -5.277 1.299 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -17.797 -3.881 0.304 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.781 0.034 0.597 1.00 0.54 N ATOM 1569 CA TRP A 100 -15.023 0.179 -0.637 1.00 0.44 C ATOM 1570 C TRP A 100 -13.654 -0.476 -0.489 1.00 0.41 C ATOM 1571 O TRP A 100 -13.235 -0.810 0.621 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.879 1.660 -0.977 1.00 0.51 C ATOM 1573 CG TRP A 100 -14.952 1.962 -2.448 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -15.440 1.159 -3.441 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -14.529 3.166 -3.083 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -15.329 1.797 -4.657 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -14.773 3.033 -4.459 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -13.962 4.341 -2.615 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -14.464 4.047 -5.369 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -13.657 5.338 -3.514 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -13.901 5.193 -4.869 1.00 1.01 C ATOM 0 H TRP A 100 -15.842 0.883 1.158 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.553 -0.317 -1.450 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -15.662 2.218 -0.463 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.926 2.020 -0.590 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -15.851 0.171 -3.294 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -15.614 1.412 -5.557 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.763 4.472 -1.562 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -14.661 3.933 -6.425 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.217 6.256 -3.153 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -13.644 5.996 -5.544 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.953 -0.655 -1.595 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.695 -1.378 -1.568 1.00 0.51 C ATOM 1594 C PHE A 101 -10.530 -0.422 -1.711 1.00 0.55 C ATOM 1595 O PHE A 101 -10.644 0.611 -2.369 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.618 -2.419 -2.683 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.472 -3.636 -2.494 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.784 -3.649 -2.938 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -11.978 -4.749 -1.837 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.587 -4.751 -2.728 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -12.775 -5.856 -1.631 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.023 -5.919 -2.212 1.00 0.77 C ATOM 0 H PHE A 101 -13.231 -0.313 -2.515 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.642 -1.889 -0.607 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.900 -1.941 -3.621 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.581 -2.738 -2.787 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -14.182 -2.788 -3.454 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -10.958 -4.751 -1.482 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.641 -4.710 -2.960 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.422 -6.671 -1.016 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.556 -6.857 -2.267 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.422 -0.760 -1.083 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.185 -0.046 -1.321 1.00 0.55 C ATOM 1614 C VAL A 102 -7.483 -0.689 -2.487 1.00 0.50 C ATOM 1615 O VAL A 102 -7.138 -1.870 -2.440 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.239 -0.080 -0.110 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -5.870 0.489 -0.462 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -7.837 0.683 1.038 1.00 1.27 C ATOM 0 H VAL A 102 -9.353 -1.521 -0.407 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.437 0.996 -1.517 1.00 0.55 H new ATOM 0 HB VAL A 102 -7.106 -1.121 0.184 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -5.224 0.451 0.415 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -5.427 -0.100 -1.265 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -5.979 1.523 -0.788 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -7.157 0.651 1.889 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -7.999 1.719 0.741 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -8.790 0.233 1.317 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.299 0.068 -3.543 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.641 -0.472 -4.688 1.00 0.61 C ATOM 1630 C GLY A 103 -5.437 0.311 -5.081 1.00 0.54 C ATOM 1631 O GLY A 103 -5.476 1.523 -5.320 1.00 0.66 O ATOM 0 H GLY A 103 -7.593 1.041 -3.625 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -6.349 -1.502 -4.482 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -7.340 -0.500 -5.524 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.386 -0.410 -5.206 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.111 0.160 -5.492 1.00 0.50 C ATOM 1637 C LEU A 104 -2.482 -0.575 -6.640 1.00 0.59 C ATOM 1638 O LEU A 104 -2.275 -1.785 -6.568 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.249 0.074 -4.241 1.00 0.77 C ATOM 1640 CG LEU A 104 -0.850 -0.481 -4.428 1.00 1.07 C ATOM 1641 CD1 LEU A 104 0.099 0.549 -5.025 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.343 -0.972 -3.107 1.00 1.27 C ATOM 0 H LEU A 104 -4.380 -1.426 -5.113 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.212 1.207 -5.778 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -2.167 1.073 -3.812 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.768 -0.545 -3.509 1.00 0.77 H new ATOM 0 HG LEU A 104 -0.896 -1.308 -5.137 1.00 1.07 H new ATOM 0 HD11 LEU A 104 1.089 0.108 -5.141 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -0.274 0.865 -5.999 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.162 1.412 -4.363 1.00 1.62 H new ATOM 0 HD21 LEU A 104 0.663 -1.374 -3.230 1.00 1.27 H new ATOM 0 HD22 LEU A 104 -0.320 -0.146 -2.396 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.003 -1.755 -2.732 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.185 0.112 -7.715 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.409 -0.556 -8.730 1.00 0.54 C ATOM 1656 C LYS A 105 0.037 -0.201 -8.535 1.00 0.49 C ATOM 1657 O LYS A 105 0.496 0.822 -8.988 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.902 -0.171 -10.133 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.833 -1.309 -11.144 1.00 0.94 C ATOM 1660 CD LYS A 105 -0.749 -1.091 -12.189 1.00 1.55 C ATOM 1661 CE LYS A 105 -1.072 0.077 -13.111 1.00 1.97 C ATOM 1662 NZ LYS A 105 -0.044 0.247 -14.178 1.00 2.09 N ATOM 0 H LYS A 105 -2.450 1.078 -7.906 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.527 -1.636 -8.640 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -2.932 0.178 -10.063 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.307 0.665 -10.500 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.646 -2.246 -10.620 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -2.798 -1.409 -11.641 1.00 0.94 H new ATOM 0 HD2 LYS A 105 0.203 -0.907 -11.691 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -0.629 -1.998 -12.781 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -2.048 -0.082 -13.570 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -1.141 0.993 -12.525 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 0.043 1.255 -14.419 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 0.872 -0.107 -13.837 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -0.329 -0.288 -15.023 1.00 2.09 H new ATOM 1676 N LYS A 106 0.783 -1.105 -7.932 1.00 0.46 N ATOM 1677 CA LYS A 106 2.188 -0.846 -7.716 1.00 0.44 C ATOM 1678 C LYS A 106 2.880 -0.870 -9.041 1.00 0.44 C ATOM 1679 O LYS A 106 3.863 -0.200 -9.235 1.00 0.46 O ATOM 1680 CB LYS A 106 2.861 -1.866 -6.785 1.00 0.51 C ATOM 1681 CG LYS A 106 3.565 -3.002 -7.524 1.00 0.81 C ATOM 1682 CD LYS A 106 4.403 -3.856 -6.594 1.00 1.11 C ATOM 1683 CE LYS A 106 5.098 -4.996 -7.333 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.172 -6.083 -7.740 1.00 1.57 N ATOM 0 H LYS A 106 0.448 -2.006 -7.590 1.00 0.46 H new ATOM 0 HA LYS A 106 2.269 0.126 -7.230 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.586 -1.348 -6.158 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.108 -2.289 -6.120 1.00 0.51 H new ATOM 0 HG2 LYS A 106 2.822 -3.628 -8.018 1.00 0.81 H new ATOM 0 HG3 LYS A 106 4.201 -2.586 -8.305 1.00 0.81 H new ATOM 0 HD2 LYS A 106 5.151 -3.232 -6.105 1.00 1.11 H new ATOM 0 HD3 LYS A 106 3.768 -4.267 -5.809 1.00 1.11 H new ATOM 0 HE2 LYS A 106 5.591 -4.598 -8.220 1.00 1.02 H new ATOM 0 HE3 LYS A 106 5.877 -5.412 -6.694 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.598 -6.630 -8.515 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 3.996 -6.711 -6.930 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.272 -5.671 -8.060 1.00 1.57 H new ATOM 1698 N ASN A 107 2.381 -1.650 -9.974 1.00 0.50 N ATOM 1699 CA ASN A 107 3.065 -1.705 -11.242 1.00 0.56 C ATOM 1700 C ASN A 107 2.833 -0.407 -12.011 1.00 0.60 C ATOM 1701 O ASN A 107 3.442 -0.160 -13.046 1.00 0.70 O ATOM 1702 CB ASN A 107 2.595 -2.916 -12.045 1.00 0.67 C ATOM 1703 CG ASN A 107 3.463 -3.161 -13.265 1.00 1.47 C ATOM 1704 OD1 ASN A 107 4.534 -3.763 -13.164 1.00 2.40 O ATOM 1705 ND2 ASN A 107 2.997 -2.728 -14.423 1.00 1.84 N ATOM 0 H ASN A 107 1.545 -2.228 -9.887 1.00 0.50 H new ATOM 0 HA ASN A 107 4.136 -1.814 -11.070 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.607 -3.800 -11.408 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.562 -2.764 -12.359 1.00 0.67 H new ATOM 0 HD21 ASN A 107 3.529 -2.888 -15.279 1.00 1.84 H new ATOM 0 HD22 ASN A 107 2.105 -2.234 -14.461 1.00 1.84 H new ATOM 1712 N GLY A 108 1.940 0.417 -11.483 1.00 0.56 N ATOM 1713 CA GLY A 108 1.790 1.771 -11.952 1.00 0.65 C ATOM 1714 C GLY A 108 1.987 2.758 -10.830 1.00 0.60 C ATOM 1715 O GLY A 108 3.093 3.140 -10.469 1.00 0.71 O ATOM 0 H GLY A 108 1.308 0.161 -10.724 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.513 1.967 -12.744 1.00 0.65 H new ATOM 0 HA3 GLY A 108 0.798 1.901 -12.386 1.00 0.65 H new ATOM 1719 N SER A 109 0.850 3.026 -10.215 1.00 0.53 N ATOM 1720 CA SER A 109 0.660 4.014 -9.160 1.00 0.64 C ATOM 1721 C SER A 109 -0.557 3.537 -8.371 1.00 0.54 C ATOM 1722 O SER A 109 -1.350 2.762 -8.914 1.00 0.54 O ATOM 1723 CB SER A 109 0.386 5.401 -9.764 1.00 0.93 C ATOM 1724 OG SER A 109 1.279 5.696 -10.830 1.00 1.50 O ATOM 0 H SER A 109 -0.014 2.536 -10.448 1.00 0.53 H new ATOM 0 HA SER A 109 1.546 4.106 -8.531 1.00 0.64 H new ATOM 0 HB2 SER A 109 -0.641 5.443 -10.127 1.00 0.93 H new ATOM 0 HB3 SER A 109 0.481 6.161 -8.988 1.00 0.93 H new ATOM 0 HG SER A 109 1.075 6.584 -11.191 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.768 3.959 -7.132 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.890 3.380 -6.409 1.00 0.82 C ATOM 1732 C CYS A 110 -3.137 4.208 -6.640 1.00 0.66 C ATOM 1733 O CYS A 110 -3.358 5.201 -5.999 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.536 3.388 -4.919 1.00 1.35 C ATOM 1735 SG CYS A 110 -2.904 3.027 -3.799 1.00 2.32 S ATOM 0 H CYS A 110 -0.216 4.656 -6.632 1.00 0.76 H new ATOM 0 HA CYS A 110 -2.081 2.364 -6.755 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.745 2.658 -4.747 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.128 4.366 -4.665 1.00 1.35 H new ATOM 0 HG CYS A 110 -3.932 2.625 -4.485 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.950 3.784 -7.584 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.243 4.373 -7.815 1.00 1.00 C ATOM 1743 C LYS A 111 -6.271 3.298 -8.064 1.00 0.75 C ATOM 1744 O LYS A 111 -6.295 2.801 -9.184 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.167 5.293 -9.032 1.00 2.13 C ATOM 1746 CG LYS A 111 -3.883 5.145 -9.869 1.00 2.53 C ATOM 1747 CD LYS A 111 -3.755 3.779 -10.560 1.00 2.18 C ATOM 1748 CE LYS A 111 -4.738 3.635 -11.715 1.00 3.01 C ATOM 1749 NZ LYS A 111 -4.420 4.547 -12.849 1.00 3.59 N ATOM 0 H LYS A 111 -3.726 3.015 -8.215 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.536 4.944 -6.934 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.027 5.098 -9.673 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -5.248 6.326 -8.695 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -3.860 5.929 -10.626 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -3.018 5.299 -9.223 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -2.738 3.653 -10.931 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -3.930 2.986 -9.833 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -4.730 2.604 -12.069 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -5.747 3.842 -11.358 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -4.956 4.254 -13.691 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -4.680 5.521 -12.594 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -3.402 4.503 -13.055 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.154 2.947 -7.157 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.294 2.147 -7.604 1.00 1.36 C ATOM 1765 C ARG A 112 -9.603 2.550 -6.921 1.00 1.14 C ATOM 1766 O ARG A 112 -9.941 2.018 -5.883 1.00 1.79 O ATOM 1767 CB ARG A 112 -8.075 0.639 -7.402 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.731 0.086 -7.870 1.00 3.07 C ATOM 1769 CD ARG A 112 -6.532 0.119 -9.379 1.00 4.09 C ATOM 1770 NE ARG A 112 -7.690 -0.320 -10.147 1.00 4.81 N ATOM 1771 CZ ARG A 112 -8.182 0.387 -11.165 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -7.806 1.647 -11.337 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -9.088 -0.138 -11.975 1.00 6.59 N ATOM 0 H ARG A 112 -7.123 3.179 -6.164 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.374 2.353 -8.671 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -8.187 0.415 -6.341 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.867 0.104 -7.926 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.932 0.657 -7.397 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.635 -0.943 -7.525 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -6.277 1.136 -9.678 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -5.681 -0.512 -9.635 1.00 4.09 H new ATOM 0 HE ARG A 112 -8.141 -1.200 -9.897 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -7.142 2.074 -10.691 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -8.181 2.189 -12.115 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -9.416 -1.092 -11.823 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -9.458 0.411 -12.751 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.356 3.450 -7.500 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.747 3.562 -7.114 1.00 0.76 C ATOM 1789 C GLY A 113 -12.662 2.827 -8.075 1.00 0.77 C ATOM 1790 O GLY A 113 -13.334 1.875 -7.681 1.00 0.80 O ATOM 0 H GLY A 113 -10.045 4.101 -8.221 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.878 3.161 -6.109 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -12.030 4.614 -7.076 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.697 3.247 -9.354 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.549 2.643 -10.383 1.00 1.07 C ATOM 1796 C PRO A 114 -13.631 1.115 -10.325 1.00 0.90 C ATOM 1797 O PRO A 114 -14.720 0.551 -10.446 1.00 1.05 O ATOM 1798 CB PRO A 114 -12.877 3.089 -11.677 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.310 4.425 -11.358 1.00 1.38 C ATOM 1800 CD PRO A 114 -11.930 4.388 -9.899 1.00 1.03 C ATOM 0 HA PRO A 114 -14.586 2.957 -10.266 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -12.099 2.390 -11.982 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -13.593 3.147 -12.497 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -11.441 4.637 -11.981 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -13.039 5.212 -11.550 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.857 4.245 -9.770 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.190 5.319 -9.396 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.500 0.434 -10.142 1.00 0.72 N ATOM 1809 CA ARG A 115 -12.509 -1.027 -10.187 1.00 0.74 C ATOM 1810 C ARG A 115 -11.915 -1.679 -8.941 1.00 0.69 C ATOM 1811 O ARG A 115 -11.396 -2.795 -9.027 1.00 0.86 O ATOM 1812 CB ARG A 115 -11.786 -1.559 -11.429 1.00 0.96 C ATOM 1813 CG ARG A 115 -12.648 -1.616 -12.684 1.00 1.39 C ATOM 1814 CD ARG A 115 -12.884 -0.240 -13.279 1.00 1.63 C ATOM 1815 NE ARG A 115 -13.742 -0.294 -14.462 1.00 1.81 N ATOM 1816 CZ ARG A 115 -13.449 0.286 -15.624 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -12.308 0.946 -15.769 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -14.297 0.199 -16.637 1.00 2.62 N ATOM 0 H ARG A 115 -11.589 0.857 -9.966 1.00 0.72 H new ATOM 0 HA ARG A 115 -13.563 -1.301 -10.231 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -10.919 -0.929 -11.627 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -11.411 -2.560 -11.215 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -12.166 -2.253 -13.426 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -13.607 -2.076 -12.444 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -13.341 0.406 -12.529 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -11.927 0.209 -13.545 1.00 1.63 H new ATOM 0 HE ARG A 115 -14.620 -0.808 -14.393 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -11.653 1.010 -14.990 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -12.085 1.390 -16.660 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -15.173 -0.312 -16.526 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -14.074 0.643 -17.528 1.00 2.62 H new ATOM 1832 N THR A 116 -11.945 -1.008 -7.794 1.00 0.61 N ATOM 1833 CA THR A 116 -11.690 -1.708 -6.548 1.00 0.75 C ATOM 1834 C THR A 116 -12.787 -2.724 -6.256 1.00 0.85 C ATOM 1835 O THR A 116 -13.934 -2.390 -5.945 1.00 1.23 O ATOM 1836 CB THR A 116 -11.504 -0.773 -5.365 1.00 0.93 C ATOM 1837 OG1 THR A 116 -12.098 0.498 -5.635 1.00 0.93 O ATOM 1838 CG2 THR A 116 -10.023 -0.628 -5.063 1.00 1.13 C ATOM 0 H THR A 116 -12.138 -0.010 -7.704 1.00 0.61 H new ATOM 0 HA THR A 116 -10.745 -2.234 -6.685 1.00 0.75 H new ATOM 0 HB THR A 116 -12.001 -1.193 -4.491 1.00 0.93 H new ATOM 0 HG1 THR A 116 -11.428 1.096 -6.027 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.889 0.043 -4.214 1.00 1.13 H new ATOM 0 HG22 THR A 116 -9.603 -1.605 -4.823 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.513 -0.218 -5.934 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.368 -3.964 -6.380 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.193 -5.150 -6.423 1.00 0.77 C ATOM 1848 C HIS A 117 -12.257 -6.098 -7.123 1.00 0.68 C ATOM 1849 O HIS A 117 -11.157 -5.657 -7.491 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.472 -4.901 -7.256 1.00 0.89 C ATOM 1851 CG HIS A 117 -15.400 -6.078 -7.395 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -16.367 -6.393 -6.466 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -15.519 -7.001 -8.381 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -17.035 -7.457 -6.871 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -16.542 -7.844 -8.030 1.00 2.85 N ATOM 0 H HIS A 117 -11.375 -4.184 -6.459 1.00 0.70 H new ATOM 0 HA HIS A 117 -13.556 -5.499 -5.456 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -15.024 -4.078 -6.802 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.176 -4.575 -8.253 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -14.919 -7.061 -9.277 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -17.849 -7.931 -6.342 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -16.868 -8.641 -8.577 1.00 2.85 H new ATOM 1864 N TYR A 118 -12.583 -7.339 -7.375 1.00 0.73 N ATOM 1865 CA TYR A 118 -11.679 -8.010 -8.261 1.00 0.69 C ATOM 1866 C TYR A 118 -12.118 -7.675 -9.663 1.00 0.68 C ATOM 1867 O TYR A 118 -12.847 -8.400 -10.338 1.00 0.77 O ATOM 1868 CB TYR A 118 -11.629 -9.514 -7.999 1.00 0.78 C ATOM 1869 CG TYR A 118 -10.731 -9.860 -6.830 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -9.363 -9.632 -6.904 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -11.245 -10.384 -5.652 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -8.531 -9.919 -5.840 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -10.419 -10.669 -4.578 1.00 3.13 C ATOM 1874 CZ TYR A 118 -9.062 -10.436 -4.678 1.00 3.19 C ATOM 1875 OH TYR A 118 -8.233 -10.705 -3.611 1.00 4.11 O ATOM 0 H TYR A 118 -13.384 -7.861 -7.020 1.00 0.73 H new ATOM 0 HA TYR A 118 -10.655 -7.672 -8.099 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -12.636 -9.881 -7.802 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -11.272 -10.025 -8.893 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -8.942 -9.223 -7.810 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -12.305 -10.572 -5.572 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -7.469 -9.739 -5.918 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -10.834 -11.072 -3.666 1.00 3.13 H new ATOM 0 HH TYR A 118 -8.437 -11.595 -3.254 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.647 -6.491 -10.037 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.686 -5.988 -11.375 1.00 0.65 C ATOM 1887 C GLY A 119 -10.295 -6.013 -11.938 1.00 0.65 C ATOM 1888 O GLY A 119 -10.067 -6.245 -13.123 1.00 0.73 O ATOM 0 H GLY A 119 -11.214 -5.842 -9.380 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.353 -6.595 -11.988 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.080 -4.972 -11.386 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.363 -5.769 -11.027 1.00 0.60 N ATOM 1893 CA GLN A 120 -7.959 -5.623 -11.348 1.00 0.64 C ATOM 1894 C GLN A 120 -7.123 -6.398 -10.341 1.00 0.62 C ATOM 1895 O GLN A 120 -7.478 -6.473 -9.167 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.577 -4.136 -11.298 1.00 0.67 C ATOM 1897 CG GLN A 120 -8.178 -3.304 -12.421 1.00 1.05 C ATOM 1898 CD GLN A 120 -7.662 -3.683 -13.797 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -6.413 -4.116 -13.875 1.00 2.19 O flip ATOM 1900 NE2 GLN A 120 -8.377 -3.571 -14.787 1.00 2.13 N flip ATOM 0 H GLN A 120 -9.568 -5.666 -10.033 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.772 -6.013 -12.348 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -7.896 -3.721 -10.342 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.491 -4.049 -11.336 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -9.262 -3.415 -12.405 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -7.963 -2.251 -12.238 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -9.335 -3.234 -14.689 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -8.014 -3.815 -15.708 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.007 -6.955 -10.791 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.101 -7.671 -9.896 1.00 0.78 C ATOM 1911 C LYS A 121 -4.225 -6.685 -9.132 1.00 0.70 C ATOM 1912 O LYS A 121 -3.251 -7.061 -8.486 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.236 -8.682 -10.660 1.00 1.06 C ATOM 1914 CG LYS A 121 -4.947 -9.996 -10.966 1.00 1.43 C ATOM 1915 CD LYS A 121 -6.069 -9.822 -11.977 1.00 1.94 C ATOM 1916 CE LYS A 121 -6.850 -11.110 -12.170 1.00 2.28 C ATOM 1917 NZ LYS A 121 -7.847 -10.992 -13.265 1.00 2.85 N ATOM 0 H LYS A 121 -5.706 -6.927 -11.765 1.00 0.75 H new ATOM 0 HA LYS A 121 -5.707 -8.230 -9.183 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -3.908 -8.231 -11.597 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -3.339 -8.892 -10.077 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -4.225 -10.717 -11.349 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -5.353 -10.410 -10.043 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -6.743 -9.034 -11.642 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -5.653 -9.501 -12.932 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -6.160 -11.924 -12.393 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -7.359 -11.369 -11.242 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -8.360 -11.891 -13.366 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -8.521 -10.232 -13.041 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -7.359 -10.770 -14.156 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.591 -5.413 -9.219 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.975 -4.373 -8.412 1.00 0.72 C ATOM 1933 C ALA A 122 -4.555 -4.409 -7.005 1.00 0.54 C ATOM 1934 O ALA A 122 -4.102 -3.711 -6.107 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.202 -3.012 -9.048 1.00 0.92 C ATOM 0 H ALA A 122 -5.320 -5.076 -9.848 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.901 -4.549 -8.356 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -3.736 -2.241 -8.434 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -3.761 -2.998 -10.045 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.272 -2.819 -9.122 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.586 -5.222 -6.840 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.200 -5.443 -5.542 1.00 0.44 C ATOM 1943 C ILE A 123 -5.522 -6.634 -4.864 1.00 0.40 C ATOM 1944 O ILE A 123 -5.861 -7.025 -3.746 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.717 -5.713 -5.698 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.341 -4.710 -6.673 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.426 -5.642 -4.353 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -8.174 -3.266 -6.257 1.00 1.37 C ATOM 0 H ILE A 123 -6.019 -5.746 -7.600 1.00 0.44 H new ATOM 0 HA ILE A 123 -6.074 -4.551 -4.929 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.839 -6.720 -6.098 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.893 -4.848 -7.657 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -9.404 -4.929 -6.773 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.490 -5.835 -4.492 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -8.006 -6.390 -3.680 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -8.291 -4.650 -3.922 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -8.642 -2.618 -6.998 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.647 -3.110 -5.287 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -7.113 -3.028 -6.186 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.537 -7.191 -5.560 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.819 -8.365 -5.089 1.00 0.43 C ATOM 1962 C LEU A 124 -2.464 -7.947 -4.512 1.00 0.37 C ATOM 1963 O LEU A 124 -1.462 -7.848 -5.246 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.632 -9.345 -6.249 1.00 0.63 C ATOM 1965 CG LEU A 124 -3.615 -10.824 -5.865 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -4.957 -11.232 -5.273 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -3.282 -11.681 -7.078 1.00 1.83 C ATOM 0 H LEU A 124 -4.216 -6.841 -6.463 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.392 -8.856 -4.302 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -4.433 -9.184 -6.970 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.696 -9.108 -6.754 1.00 0.63 H new ATOM 0 HG LEU A 124 -2.844 -10.981 -5.111 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -4.930 -12.288 -5.004 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -5.158 -10.636 -4.383 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -5.745 -11.065 -6.008 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -3.273 -12.732 -6.790 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -4.033 -11.523 -7.852 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -2.301 -11.402 -7.462 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.446 -7.695 -3.202 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.279 -7.136 -2.533 1.00 0.45 C ATOM 1981 C PHE A 125 -0.435 -8.204 -1.837 1.00 0.36 C ATOM 1982 O PHE A 125 -0.950 -9.224 -1.374 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.732 -6.118 -1.489 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.693 -5.088 -2.004 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -2.238 -4.002 -2.732 1.00 1.00 C ATOM 1986 CD2 PHE A 125 -4.049 -5.210 -1.771 1.00 1.05 C ATOM 1987 CE1 PHE A 125 -3.117 -3.056 -3.216 1.00 1.05 C ATOM 1988 CE2 PHE A 125 -4.934 -4.269 -2.252 1.00 1.18 C ATOM 1989 CZ PHE A 125 -4.471 -3.176 -2.939 1.00 0.85 C ATOM 0 H PHE A 125 -3.236 -7.873 -2.582 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.663 -6.667 -3.300 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.198 -6.650 -0.659 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.854 -5.610 -1.089 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -1.181 -3.894 -2.923 1.00 1.00 H new ATOM 0 HD2 PHE A 125 -4.420 -6.052 -1.206 1.00 1.05 H new ATOM 0 HE1 PHE A 125 -2.754 -2.228 -3.806 1.00 1.05 H new ATOM 0 HE2 PHE A 125 -5.994 -4.393 -2.088 1.00 1.18 H new ATOM 0 HZ PHE A 125 -5.159 -2.410 -3.264 1.00 0.85 H new ATOM 1999 N LEU A 126 0.868 -7.943 -1.772 1.00 0.36 N ATOM 2000 CA LEU A 126 1.810 -8.770 -1.026 1.00 0.49 C ATOM 2001 C LEU A 126 2.759 -7.871 -0.236 1.00 0.48 C ATOM 2002 O LEU A 126 3.285 -6.889 -0.770 1.00 0.49 O ATOM 2003 CB LEU A 126 2.619 -9.683 -1.956 1.00 0.68 C ATOM 2004 CG LEU A 126 1.834 -10.813 -2.626 1.00 1.22 C ATOM 2005 CD1 LEU A 126 2.715 -11.554 -3.621 1.00 1.98 C ATOM 2006 CD2 LEU A 126 1.289 -11.773 -1.577 1.00 1.96 C ATOM 0 H LEU A 126 1.302 -7.147 -2.239 1.00 0.36 H new ATOM 0 HA LEU A 126 1.241 -9.404 -0.346 1.00 0.49 H new ATOM 0 HB2 LEU A 126 3.071 -9.069 -2.735 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.435 -10.123 -1.383 1.00 0.68 H new ATOM 0 HG LEU A 126 0.993 -10.379 -3.167 1.00 1.22 H new ATOM 0 HD11 LEU A 126 2.142 -12.354 -4.089 1.00 1.98 H new ATOM 0 HD12 LEU A 126 3.062 -10.860 -4.387 1.00 1.98 H new ATOM 0 HD13 LEU A 126 3.574 -11.979 -3.101 1.00 1.98 H new ATOM 0 HD21 LEU A 126 0.733 -12.571 -2.068 1.00 1.96 H new ATOM 0 HD22 LEU A 126 2.116 -12.202 -1.011 1.00 1.96 H new ATOM 0 HD23 LEU A 126 0.627 -11.234 -0.899 1.00 1.96 H new ATOM 2018 N PRO A 127 2.983 -8.177 1.043 1.00 0.54 N ATOM 2019 CA PRO A 127 3.863 -7.410 1.902 1.00 0.55 C ATOM 2020 C PRO A 127 5.197 -8.115 2.184 1.00 0.53 C ATOM 2021 O PRO A 127 5.241 -9.137 2.873 1.00 0.66 O ATOM 2022 CB PRO A 127 3.022 -7.337 3.179 1.00 0.72 C ATOM 2023 CG PRO A 127 2.177 -8.589 3.177 1.00 0.81 C ATOM 2024 CD PRO A 127 2.320 -9.229 1.811 1.00 0.68 C ATOM 0 HA PRO A 127 4.155 -6.453 1.470 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.656 -7.293 4.065 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.399 -6.443 3.188 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.505 -9.275 3.958 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.134 -8.348 3.381 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.915 -10.141 1.849 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.354 -9.497 1.384 1.00 0.68 H new ATOM 2032 N LEU A 128 6.285 -7.559 1.659 1.00 0.44 N ATOM 2033 CA LEU A 128 7.607 -8.156 1.844 1.00 0.46 C ATOM 2034 C LEU A 128 8.539 -7.213 2.607 1.00 0.39 C ATOM 2035 O LEU A 128 9.072 -6.266 2.036 1.00 0.39 O ATOM 2036 CB LEU A 128 8.223 -8.496 0.484 1.00 0.56 C ATOM 2037 CG LEU A 128 7.432 -9.497 -0.363 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.083 -9.669 -1.725 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.327 -10.838 0.349 1.00 1.47 C ATOM 0 H LEU A 128 6.280 -6.702 1.106 1.00 0.44 H new ATOM 0 HA LEU A 128 7.485 -9.067 2.430 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.336 -7.574 -0.085 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.224 -8.895 0.647 1.00 0.56 H new ATOM 0 HG LEU A 128 6.425 -9.105 -0.506 1.00 0.98 H new ATOM 0 HD11 LEU A 128 7.509 -10.384 -2.315 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.107 -8.709 -2.241 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.101 -10.038 -1.598 1.00 1.34 H new ATOM 0 HD21 LEU A 128 6.761 -11.535 -0.269 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.326 -11.236 0.524 1.00 1.47 H new ATOM 0 HD23 LEU A 128 6.818 -10.704 1.303 1.00 1.47 H new ATOM 2051 N PRO A 129 8.749 -7.455 3.910 1.00 0.41 N ATOM 2052 CA PRO A 129 9.659 -6.648 4.726 1.00 0.40 C ATOM 2053 C PRO A 129 11.100 -7.136 4.604 1.00 0.48 C ATOM 2054 O PRO A 129 11.340 -8.282 4.202 1.00 0.55 O ATOM 2055 CB PRO A 129 9.128 -6.879 6.138 1.00 0.48 C ATOM 2056 CG PRO A 129 8.577 -8.266 6.112 1.00 0.68 C ATOM 2057 CD PRO A 129 8.104 -8.522 4.699 1.00 0.53 C ATOM 0 HA PRO A 129 9.685 -5.599 4.430 1.00 0.40 H new ATOM 0 HB2 PRO A 129 9.920 -6.781 6.880 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.358 -6.152 6.396 1.00 0.48 H new ATOM 0 HG2 PRO A 129 9.339 -8.990 6.402 1.00 0.68 H new ATOM 0 HG3 PRO A 129 7.754 -8.368 6.820 1.00 0.68 H new ATOM 0 HD2 PRO A 129 8.401 -9.511 4.351 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.018 -8.472 4.626 1.00 0.53 H new ATOM 2065 N VAL A 130 12.065 -6.284 4.940 1.00 0.56 N ATOM 2066 CA VAL A 130 13.462 -6.652 4.744 1.00 0.76 C ATOM 2067 C VAL A 130 13.913 -7.614 5.831 1.00 0.97 C ATOM 2068 O VAL A 130 13.920 -7.292 7.017 1.00 1.03 O ATOM 2069 CB VAL A 130 14.418 -5.455 4.738 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.676 -5.789 3.951 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.745 -4.203 4.194 1.00 1.36 C ATOM 0 H VAL A 130 11.911 -5.358 5.339 1.00 0.56 H new ATOM 0 HA VAL A 130 13.506 -7.119 3.760 1.00 0.76 H new ATOM 0 HB VAL A 130 14.701 -5.244 5.769 1.00 0.93 H new ATOM 0 HG11 VAL A 130 16.346 -4.930 3.955 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.176 -6.642 4.410 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.408 -6.035 2.924 1.00 1.43 H new ATOM 0 HG21 VAL A 130 14.454 -3.375 4.205 1.00 1.36 H new ATOM 0 HG22 VAL A 130 13.413 -4.383 3.171 1.00 1.36 H new ATOM 0 HG23 VAL A 130 12.885 -3.953 4.815 1.00 1.36 H new ATOM 2081 N SER A 131 14.350 -8.767 5.399 1.00 1.27 N ATOM 2082 CA SER A 131 14.638 -9.871 6.298 1.00 1.65 C ATOM 2083 C SER A 131 16.126 -9.937 6.616 1.00 1.86 C ATOM 2084 O SER A 131 16.949 -9.376 5.892 1.00 1.88 O ATOM 2085 CB SER A 131 14.169 -11.179 5.658 1.00 2.07 C ATOM 2086 OG SER A 131 12.813 -11.077 5.246 1.00 2.32 O ATOM 0 H SER A 131 14.519 -8.975 4.415 1.00 1.27 H new ATOM 0 HA SER A 131 14.104 -9.715 7.235 1.00 1.65 H new ATOM 0 HB2 SER A 131 14.798 -11.416 4.800 1.00 2.07 H new ATOM 0 HB3 SER A 131 14.278 -11.998 6.369 1.00 2.07 H new ATOM 0 HG SER A 131 12.531 -11.922 4.838 1.00 2.32 H new ATOM 2092 N SER A 132 16.461 -10.600 7.712 1.00 2.21 N ATOM 2093 CA SER A 132 17.846 -10.785 8.100 1.00 2.54 C ATOM 2094 C SER A 132 18.351 -12.118 7.571 1.00 3.02 C ATOM 2095 O SER A 132 17.937 -13.183 8.036 1.00 3.59 O ATOM 2096 CB SER A 132 17.978 -10.732 9.621 1.00 2.98 C ATOM 2097 OG SER A 132 17.473 -9.508 10.127 1.00 2.97 O ATOM 0 H SER A 132 15.786 -11.020 8.351 1.00 2.21 H new ATOM 0 HA SER A 132 18.448 -9.983 7.673 1.00 2.54 H new ATOM 0 HB2 SER A 132 17.436 -11.566 10.067 1.00 2.98 H new ATOM 0 HB3 SER A 132 19.025 -10.844 9.904 1.00 2.98 H new ATOM 0 HG SER A 132 17.565 -9.494 11.103 1.00 2.97 H new ATOM 2103 N ASP A 133 19.228 -12.049 6.587 1.00 3.06 N ATOM 2104 CA ASP A 133 19.738 -13.241 5.933 1.00 3.74 C ATOM 2105 C ASP A 133 21.257 -13.174 5.864 1.00 3.96 C ATOM 2106 O ASP A 133 21.787 -12.551 4.920 1.00 4.33 O ATOM 2107 CB ASP A 133 19.135 -13.365 4.529 1.00 3.99 C ATOM 2108 CG ASP A 133 19.405 -14.710 3.879 1.00 4.66 C ATOM 2109 OD1 ASP A 133 20.457 -14.868 3.231 1.00 5.00 O ATOM 2110 OD2 ASP A 133 18.548 -15.612 3.994 1.00 5.12 O ATOM 2111 OXT ASP A 133 21.919 -13.711 6.775 1.00 4.10 O ATOM 0 H ASP A 133 19.604 -11.175 6.221 1.00 3.06 H new ATOM 0 HA ASP A 133 19.453 -14.123 6.507 1.00 3.74 H new ATOM 0 HB2 ASP A 133 18.058 -13.207 4.588 1.00 3.99 H new ATOM 0 HB3 ASP A 133 19.539 -12.575 3.896 1.00 3.99 H new TER 2116 ASP A 133