USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=45 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 111 LYS NZ :NH3+ -148:sc= 1.19 (180deg=-0.157) USER MOD Set 1.2: A 120 GLN : amide:sc= 1.01 K(o=2.2,f=-9.3!) USER MOD Set 2.1: A 118 TYR OH : rot 180:sc= 0.00812 USER MOD Set 2.2: A 121 LYS NZ :NH3+ 147:sc= 0.0084 (180deg=0) USER MOD Set 3.1: A 105 LYS NZ :NH3+ 178:sc= -0.307 (180deg=0) USER MOD Set 3.2: A 107 ASN : amide:sc= -3.43! C(o=-3.7!,f=-11!) USER MOD Set 4.1: A 88 ASN : amide:sc= -3! C(o=-2.1!,f=-11!) USER MOD Set 4.2: A 90 TYR OH : rot 48:sc= 0.92 USER MOD Set 5.1: A 36 GLN : amide:sc= -4.94! C(o=-7.7!,f=-8!) USER MOD Set 5.2: A 54 THR OG1 : rot -128:sc= -2.77! USER MOD Set 6.1: A 11 ASN : amide:sc= -3.32! C(o=-11!,f=-16!) USER MOD Set 6.2: A 106 LYS NZ :NH3+ 171:sc= -7.79! (180deg=-8.24!) USER MOD Set 7.1: A 1 TYR N :NH3+ 172:sc= 1.71 (180deg=0.472) USER MOD Set 7.2: A 132 SER OG : rot -87:sc= 0.851 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 170:sc=-0.00686 (180deg=-0.0983) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0.481 (180deg=0.481) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 31:sc= -1.96! USER MOD Single : A 10 SER OG : rot -167:sc= 0.978 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.0488 F(o=-0.92,f=-0.049) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.733 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 33 GLN :FLIP amide:sc=-0.00265 F(o=-1.1,f=-0.0027) USER MOD Single : A 34 HIS : no HE2:sc= 0.54 K(o=0.54,f=-6.2!) USER MOD Single : A 38 GLN : amide:sc= -0.0484 K(o=-0.048,f=-3.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 28:sc= 1.26 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.115) USER MOD Single : A 51 SER OG : rot 171:sc= 0.812 USER MOD Single : A 52 THR OG1 : rot 96:sc= -0.131 USER MOD Single : A 56 GLN : amide:sc= -8.9! C(o=-8.9!,f=-11!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 148:sc= -3.01 (180deg=-3.77!) 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 -167:sc= 0.368 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 73 ASN : amide:sc= 1.25 K(o=1.2,f=-0.36) USER MOD Single : A 76 CYS SG : rot -155:sc= -4.78! USER MOD Single : A 85 ASN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 121:sc= 1.28 USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= 0.86 (180deg=0.304!) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 1.17 (180deg=1.08) USER MOD Single : A 95 HIS : no HE2:sc= -2.57! C(o=-2.6!,f=-6.3!) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0474) USER MOD Single : A 99 ASN : amide:sc= -0.717 X(o=-0.72,f=-0.28) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 103:sc= -8.96! USER MOD Single : A 116 THR OG1 : rot 133:sc= 0.982 USER MOD Single : A 117 HIS :FLIP no HD1:sc= 0.0438 F(o=-1.5,f=0.044) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.943 -8.505 7.321 1.00 2.41 N ATOM 2 CA TYR A 1 16.305 -7.176 7.842 1.00 2.09 C ATOM 3 C TYR A 1 15.028 -6.365 8.023 1.00 2.03 C ATOM 4 O TYR A 1 14.907 -5.239 7.536 1.00 2.57 O ATOM 5 CB TYR A 1 17.282 -6.477 6.879 1.00 2.90 C ATOM 6 CG TYR A 1 17.790 -5.129 7.348 1.00 3.87 C ATOM 7 CD1 TYR A 1 18.579 -5.012 8.486 1.00 4.74 C ATOM 8 CD2 TYR A 1 17.484 -3.971 6.642 1.00 4.39 C ATOM 9 CE1 TYR A 1 19.044 -3.780 8.906 1.00 5.86 C ATOM 10 CE2 TYR A 1 17.945 -2.739 7.056 1.00 5.57 C ATOM 11 CZ TYR A 1 18.723 -2.647 8.188 1.00 6.21 C ATOM 12 OH TYR A 1 19.180 -1.418 8.602 1.00 7.47 O ATOM 0 H1 TYR A 1 16.807 -9.024 7.064 1.00 2.41 H new ATOM 0 H2 TYR A 1 15.425 -9.035 8.051 1.00 2.41 H new ATOM 0 H3 TYR A 1 15.341 -8.396 6.480 1.00 2.41 H new ATOM 0 HA TYR A 1 16.808 -7.270 8.805 1.00 2.09 H new ATOM 0 HB2 TYR A 1 18.137 -7.133 6.713 1.00 2.90 H new ATOM 0 HB3 TYR A 1 16.789 -6.347 5.916 1.00 2.90 H new ATOM 0 HD1 TYR A 1 18.833 -5.897 9.051 1.00 4.74 H new ATOM 0 HD2 TYR A 1 16.874 -4.038 5.753 1.00 4.39 H new ATOM 0 HE1 TYR A 1 19.656 -3.705 9.793 1.00 5.86 H new ATOM 0 HE2 TYR A 1 17.697 -1.850 6.495 1.00 5.57 H new ATOM 0 HH TYR A 1 18.864 -0.726 7.984 1.00 7.47 H new ATOM 24 N LYS A 2 14.057 -6.943 8.717 1.00 2.03 N ATOM 25 CA LYS A 2 12.731 -6.369 8.723 1.00 2.09 C ATOM 26 C LYS A 2 12.644 -5.161 9.640 1.00 1.28 C ATOM 27 O LYS A 2 13.138 -5.171 10.769 1.00 1.83 O ATOM 28 CB LYS A 2 11.708 -7.413 9.174 1.00 3.32 C ATOM 29 CG LYS A 2 11.706 -8.683 8.334 1.00 4.26 C ATOM 30 CD LYS A 2 10.674 -9.679 8.841 1.00 5.27 C ATOM 31 CE LYS A 2 10.633 -10.935 7.979 1.00 6.31 C ATOM 32 NZ LYS A 2 11.912 -11.685 8.026 1.00 6.96 N ATOM 0 H LYS A 2 14.164 -7.793 9.271 1.00 2.03 H new ATOM 0 HA LYS A 2 12.513 -6.045 7.705 1.00 2.09 H new ATOM 0 HB2 LYS A 2 11.908 -7.677 10.212 1.00 3.32 H new ATOM 0 HB3 LYS A 2 10.713 -6.968 9.144 1.00 3.32 H new ATOM 0 HG2 LYS A 2 11.494 -8.434 7.294 1.00 4.26 H new ATOM 0 HG3 LYS A 2 12.696 -9.138 8.357 1.00 4.26 H new ATOM 0 HD2 LYS A 2 10.906 -9.951 9.871 1.00 5.27 H new ATOM 0 HD3 LYS A 2 9.690 -9.211 8.849 1.00 5.27 H new ATOM 0 HE2 LYS A 2 9.822 -11.580 8.317 1.00 6.31 H new ATOM 0 HE3 LYS A 2 10.412 -10.660 6.948 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 11.789 -12.611 7.568 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 12.648 -11.147 7.526 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 12.197 -11.824 9.017 1.00 6.96 H new ATOM 46 N LYS A 3 12.022 -4.131 9.109 1.00 0.93 N ATOM 47 CA LYS A 3 11.547 -2.983 9.855 1.00 0.96 C ATOM 48 C LYS A 3 10.594 -2.225 8.944 1.00 0.78 C ATOM 49 O LYS A 3 9.440 -1.987 9.294 1.00 1.17 O ATOM 50 CB LYS A 3 12.690 -2.093 10.374 1.00 1.91 C ATOM 51 CG LYS A 3 12.214 -0.848 11.110 1.00 2.62 C ATOM 52 CD LYS A 3 11.388 -1.200 12.337 1.00 3.43 C ATOM 53 CE LYS A 3 10.864 0.048 13.031 1.00 4.25 C ATOM 54 NZ LYS A 3 10.148 -0.279 14.291 1.00 4.81 N ATOM 0 H LYS A 3 11.825 -4.066 8.110 1.00 0.93 H new ATOM 0 HA LYS A 3 11.032 -3.314 10.757 1.00 0.96 H new ATOM 0 HB2 LYS A 3 13.320 -2.680 11.042 1.00 1.91 H new ATOM 0 HB3 LYS A 3 13.313 -1.790 9.532 1.00 1.91 H new ATOM 0 HG2 LYS A 3 13.075 -0.251 11.410 1.00 2.62 H new ATOM 0 HG3 LYS A 3 11.619 -0.232 10.436 1.00 2.62 H new ATOM 0 HD2 LYS A 3 10.551 -1.834 12.044 1.00 3.43 H new ATOM 0 HD3 LYS A 3 11.996 -1.777 13.033 1.00 3.43 H new ATOM 0 HE2 LYS A 3 11.695 0.718 13.249 1.00 4.25 H new ATOM 0 HE3 LYS A 3 10.192 0.582 12.359 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 9.806 0.598 14.734 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 9.339 -0.898 14.080 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 10.796 -0.766 14.942 1.00 4.81 H new ATOM 68 N PRO A 4 11.071 -1.839 7.742 1.00 0.45 N ATOM 69 CA PRO A 4 10.212 -1.362 6.677 1.00 0.41 C ATOM 70 C PRO A 4 9.632 -2.522 5.870 1.00 0.39 C ATOM 71 O PRO A 4 10.290 -3.544 5.643 1.00 0.53 O ATOM 72 CB PRO A 4 11.143 -0.519 5.790 1.00 0.59 C ATOM 73 CG PRO A 4 12.481 -0.547 6.457 1.00 0.72 C ATOM 74 CD PRO A 4 12.478 -1.766 7.326 1.00 0.80 C ATOM 0 HA PRO A 4 9.361 -0.800 7.062 1.00 0.41 H new ATOM 0 HB2 PRO A 4 11.200 -0.930 4.782 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.774 0.503 5.697 1.00 0.59 H new ATOM 0 HG2 PRO A 4 13.284 -0.593 5.721 1.00 0.72 H new ATOM 0 HG3 PRO A 4 12.642 0.354 7.048 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.789 -2.657 6.781 1.00 0.80 H new ATOM 0 HD3 PRO A 4 13.151 -1.662 8.177 1.00 0.80 H new ATOM 82 N LYS A 5 8.395 -2.355 5.471 1.00 0.38 N ATOM 83 CA LYS A 5 7.710 -3.283 4.597 1.00 0.38 C ATOM 84 C LYS A 5 7.752 -2.751 3.164 1.00 0.35 C ATOM 85 O LYS A 5 7.929 -1.555 2.943 1.00 0.40 O ATOM 86 CB LYS A 5 6.254 -3.438 5.056 1.00 0.44 C ATOM 87 CG LYS A 5 6.113 -3.852 6.514 1.00 1.16 C ATOM 88 CD LYS A 5 6.179 -5.361 6.679 1.00 1.64 C ATOM 89 CE LYS A 5 4.866 -6.019 6.282 1.00 2.57 C ATOM 90 NZ LYS A 5 3.766 -5.682 7.230 1.00 3.33 N ATOM 0 H LYS A 5 7.823 -1.557 5.748 1.00 0.38 H new ATOM 0 HA LYS A 5 8.201 -4.256 4.634 1.00 0.38 H new ATOM 0 HB2 LYS A 5 5.732 -2.493 4.904 1.00 0.44 H new ATOM 0 HB3 LYS A 5 5.761 -4.180 4.428 1.00 0.44 H new ATOM 0 HG2 LYS A 5 6.904 -3.387 7.102 1.00 1.16 H new ATOM 0 HG3 LYS A 5 5.165 -3.484 6.907 1.00 1.16 H new ATOM 0 HD2 LYS A 5 6.988 -5.761 6.067 1.00 1.64 H new ATOM 0 HD3 LYS A 5 6.412 -5.606 7.715 1.00 1.64 H new ATOM 0 HE2 LYS A 5 4.589 -5.700 5.277 1.00 2.57 H new ATOM 0 HE3 LYS A 5 4.998 -7.101 6.248 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 2.889 -6.150 6.924 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 4.018 -6.009 8.185 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 3.623 -4.652 7.243 1.00 3.33 H new ATOM 104 N LEU A 6 7.608 -3.643 2.206 1.00 0.35 N ATOM 105 CA LEU A 6 7.573 -3.274 0.799 1.00 0.37 C ATOM 106 C LEU A 6 6.175 -3.463 0.228 1.00 0.37 C ATOM 107 O LEU A 6 5.435 -4.360 0.651 1.00 0.46 O ATOM 108 CB LEU A 6 8.545 -4.146 0.002 1.00 0.51 C ATOM 109 CG LEU A 6 8.323 -4.134 -1.507 1.00 0.64 C ATOM 110 CD1 LEU A 6 9.093 -2.997 -2.149 1.00 1.24 C ATOM 111 CD2 LEU A 6 8.687 -5.477 -2.117 1.00 1.49 C ATOM 0 H LEU A 6 7.512 -4.644 2.376 1.00 0.35 H new ATOM 0 HA LEU A 6 7.860 -2.225 0.721 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.562 -3.814 0.208 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.466 -5.173 0.359 1.00 0.51 H new ATOM 0 HG LEU A 6 7.264 -3.966 -1.702 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.923 -3.004 -3.226 1.00 1.24 H new ATOM 0 HD12 LEU A 6 8.754 -2.048 -1.734 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.157 -3.120 -1.949 1.00 1.24 H new ATOM 0 HD21 LEU A 6 8.521 -5.445 -3.194 1.00 1.49 H new ATOM 0 HD22 LEU A 6 9.736 -5.694 -1.918 1.00 1.49 H new ATOM 0 HD23 LEU A 6 8.065 -6.257 -1.677 1.00 1.49 H new ATOM 123 N LEU A 7 5.834 -2.633 -0.746 1.00 0.36 N ATOM 124 CA LEU A 7 4.591 -2.783 -1.479 1.00 0.39 C ATOM 125 C LEU A 7 4.844 -3.552 -2.764 1.00 0.41 C ATOM 126 O LEU A 7 5.424 -3.029 -3.720 1.00 0.58 O ATOM 127 CB LEU A 7 3.989 -1.412 -1.795 1.00 0.55 C ATOM 128 CG LEU A 7 2.582 -1.411 -2.417 1.00 0.59 C ATOM 129 CD1 LEU A 7 2.594 -1.831 -3.874 1.00 1.53 C ATOM 130 CD2 LEU A 7 1.644 -2.295 -1.602 1.00 1.25 C ATOM 0 H LEU A 7 6.407 -1.844 -1.047 1.00 0.36 H new ATOM 0 HA LEU A 7 3.883 -3.337 -0.863 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.955 -0.833 -0.872 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.663 -0.891 -2.474 1.00 0.55 H new ATOM 0 HG LEU A 7 2.214 -0.385 -2.391 1.00 0.59 H new ATOM 0 HD11 LEU A 7 1.577 -1.814 -4.266 1.00 1.53 H new ATOM 0 HD12 LEU A 7 3.215 -1.142 -4.446 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.998 -2.840 -3.959 1.00 1.53 H new ATOM 0 HD21 LEU A 7 0.652 -2.285 -2.053 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.026 -3.316 -1.588 1.00 1.25 H new ATOM 0 HD23 LEU A 7 1.582 -1.917 -0.582 1.00 1.25 H new ATOM 142 N TYR A 8 4.419 -4.796 -2.774 1.00 0.50 N ATOM 143 CA TYR A 8 4.503 -5.613 -3.972 1.00 0.71 C ATOM 144 C TYR A 8 3.099 -6.121 -4.379 1.00 0.44 C ATOM 145 O TYR A 8 2.657 -7.156 -3.915 1.00 0.73 O ATOM 146 CB TYR A 8 5.433 -6.789 -3.620 1.00 1.29 C ATOM 147 CG TYR A 8 6.013 -7.576 -4.775 1.00 1.60 C ATOM 148 CD1 TYR A 8 6.894 -6.975 -5.665 1.00 2.21 C ATOM 149 CD2 TYR A 8 5.645 -8.897 -5.003 1.00 1.84 C ATOM 150 CE1 TYR A 8 7.402 -7.671 -6.746 1.00 2.93 C ATOM 151 CE2 TYR A 8 6.145 -9.596 -6.087 1.00 2.43 C ATOM 152 CZ TYR A 8 7.136 -9.064 -6.840 1.00 2.96 C ATOM 153 OH TYR A 8 7.526 -9.671 -8.033 1.00 3.74 O ATOM 0 H TYR A 8 4.011 -5.268 -1.967 1.00 0.50 H new ATOM 0 HA TYR A 8 4.890 -5.046 -4.819 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.260 -6.401 -3.026 1.00 1.29 H new ATOM 0 HB3 TYR A 8 4.880 -7.480 -2.984 1.00 1.29 H new ATOM 0 HD1 TYR A 8 7.187 -5.947 -5.510 1.00 2.21 H new ATOM 0 HD2 TYR A 8 4.960 -9.384 -4.325 1.00 1.84 H new ATOM 0 HE1 TYR A 8 7.987 -7.168 -7.501 1.00 2.93 H new ATOM 0 HE2 TYR A 8 5.744 -10.568 -6.333 1.00 2.43 H new ATOM 0 HH TYR A 8 7.303 -10.625 -8.003 1.00 3.74 H new ATOM 163 N CYS A 9 2.440 -5.412 -5.301 1.00 0.63 N ATOM 164 CA CYS A 9 1.147 -5.841 -5.872 1.00 0.75 C ATOM 165 C CYS A 9 1.324 -6.071 -7.368 1.00 1.05 C ATOM 166 O CYS A 9 1.261 -5.154 -8.187 1.00 1.99 O ATOM 167 CB CYS A 9 0.072 -4.792 -5.623 1.00 1.57 C ATOM 168 SG CYS A 9 -1.527 -5.225 -6.328 1.00 2.64 S ATOM 0 H CYS A 9 2.781 -4.527 -5.675 1.00 0.63 H new ATOM 0 HA CYS A 9 0.829 -6.766 -5.390 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.041 -4.646 -4.549 1.00 1.57 H new ATOM 0 HB3 CYS A 9 0.400 -3.840 -6.042 1.00 1.57 H new ATOM 0 HG CYS A 9 -1.666 -6.518 -6.326 1.00 2.64 H new ATOM 174 N SER A 10 1.487 -7.308 -7.720 1.00 0.83 N ATOM 175 CA SER A 10 2.373 -7.637 -8.792 1.00 1.29 C ATOM 176 C SER A 10 1.808 -8.358 -9.999 1.00 0.84 C ATOM 177 O SER A 10 1.188 -9.417 -9.907 1.00 1.34 O ATOM 178 CB SER A 10 3.532 -8.431 -8.219 1.00 2.36 C ATOM 179 OG SER A 10 4.212 -7.655 -7.254 1.00 3.16 O ATOM 0 H SER A 10 1.021 -8.103 -7.283 1.00 0.83 H new ATOM 0 HA SER A 10 2.661 -6.671 -9.208 1.00 1.29 H new ATOM 0 HB2 SER A 10 3.165 -9.352 -7.766 1.00 2.36 H new ATOM 0 HB3 SER A 10 4.217 -8.719 -9.016 1.00 2.36 H new ATOM 0 HG SER A 10 5.066 -8.082 -7.033 1.00 3.16 H new ATOM 185 N ASN A 11 2.029 -7.709 -11.128 1.00 1.45 N ATOM 186 CA ASN A 11 2.613 -8.387 -12.257 1.00 1.79 C ATOM 187 C ASN A 11 4.092 -8.376 -11.875 1.00 1.40 C ATOM 188 O ASN A 11 4.476 -7.552 -11.034 1.00 1.83 O ATOM 189 CB ASN A 11 2.348 -7.661 -13.591 1.00 2.89 C ATOM 190 CG ASN A 11 3.224 -6.440 -13.812 1.00 3.45 C ATOM 191 OD1 ASN A 11 3.641 -5.778 -12.867 1.00 3.71 O ATOM 192 ND2 ASN A 11 3.497 -6.125 -15.069 1.00 4.02 N ATOM 0 H ASN A 11 1.814 -6.724 -11.281 1.00 1.45 H new ATOM 0 HA ASN A 11 2.203 -9.381 -12.434 1.00 1.79 H new ATOM 0 HB2 ASN A 11 2.504 -8.361 -14.412 1.00 2.89 H new ATOM 0 HB3 ASN A 11 1.302 -7.357 -13.626 1.00 2.89 H new ATOM 0 HD21 ASN A 11 4.072 -5.308 -15.277 1.00 4.02 H new ATOM 0 HD22 ASN A 11 3.133 -6.699 -15.829 1.00 4.02 H new ATOM 199 N GLY A 12 4.906 -9.239 -12.432 1.00 1.41 N ATOM 200 CA GLY A 12 6.148 -9.605 -11.760 1.00 1.36 C ATOM 201 C GLY A 12 7.176 -8.486 -11.578 1.00 1.49 C ATOM 202 O GLY A 12 8.090 -8.331 -12.388 1.00 2.34 O ATOM 0 H GLY A 12 4.745 -9.697 -13.329 1.00 1.41 H new ATOM 0 HA2 GLY A 12 5.900 -10.005 -10.777 1.00 1.36 H new ATOM 0 HA3 GLY A 12 6.617 -10.412 -12.323 1.00 1.36 H new ATOM 206 N GLY A 13 7.008 -7.704 -10.501 1.00 0.97 N ATOM 207 CA GLY A 13 8.099 -6.895 -9.962 1.00 1.26 C ATOM 208 C GLY A 13 8.101 -5.421 -10.349 1.00 0.84 C ATOM 209 O GLY A 13 8.759 -5.009 -11.300 1.00 0.89 O ATOM 0 H GLY A 13 6.129 -7.618 -9.991 1.00 0.97 H new ATOM 0 HA2 GLY A 13 8.071 -6.963 -8.875 1.00 1.26 H new ATOM 0 HA3 GLY A 13 9.043 -7.335 -10.284 1.00 1.26 H new ATOM 213 N HIS A 14 7.327 -4.643 -9.611 1.00 0.78 N ATOM 214 CA HIS A 14 7.491 -3.205 -9.475 1.00 0.61 C ATOM 215 C HIS A 14 7.437 -2.910 -7.979 1.00 0.61 C ATOM 216 O HIS A 14 7.058 -3.795 -7.211 1.00 0.92 O ATOM 217 CB HIS A 14 6.418 -2.420 -10.245 1.00 0.85 C ATOM 218 CG HIS A 14 6.820 -2.008 -11.634 1.00 0.75 C ATOM 219 ND1 HIS A 14 7.255 -0.816 -12.107 1.00 1.31 N flip ATOM 220 CD2 HIS A 14 6.766 -2.848 -12.726 1.00 1.07 C flip ATOM 221 CE1 HIS A 14 7.451 -0.959 -13.454 1.00 1.17 C flip ATOM 222 NE2 HIS A 14 7.153 -2.191 -13.806 1.00 0.95 N flip ATOM 0 H HIS A 14 6.541 -5.007 -9.072 1.00 0.78 H new ATOM 0 HA HIS A 14 8.439 -2.886 -9.907 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.516 -3.029 -10.307 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.161 -1.527 -9.675 1.00 0.85 H new ATOM 0 HD2 HIS A 14 6.456 -3.882 -12.703 1.00 1.07 H new ATOM 0 HE1 HIS A 14 7.796 -0.183 -14.122 1.00 1.17 H new ATOM 0 HE2 HIS A 14 7.211 -2.574 -14.750 1.00 0.95 H new ATOM 231 N PHE A 15 7.806 -1.722 -7.548 1.00 0.49 N ATOM 232 CA PHE A 15 7.750 -1.391 -6.132 1.00 0.45 C ATOM 233 C PHE A 15 7.149 -0.010 -5.966 1.00 0.39 C ATOM 234 O PHE A 15 7.530 0.908 -6.682 1.00 0.41 O ATOM 235 CB PHE A 15 9.152 -1.423 -5.515 1.00 0.51 C ATOM 236 CG PHE A 15 9.924 -2.681 -5.809 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.510 -3.898 -5.297 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.061 -2.648 -6.598 1.00 1.15 C ATOM 239 CE1 PHE A 15 10.213 -5.056 -5.566 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.770 -3.802 -6.870 1.00 1.62 C ATOM 241 CZ PHE A 15 11.354 -5.002 -6.352 1.00 1.82 C ATOM 0 H PHE A 15 8.146 -0.972 -8.149 1.00 0.49 H new ATOM 0 HA PHE A 15 7.131 -2.128 -5.620 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.719 -0.567 -5.883 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.065 -1.307 -4.435 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.626 -3.943 -4.679 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.398 -1.707 -7.007 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.875 -6.000 -5.165 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.653 -3.759 -7.491 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.914 -5.903 -6.556 1.00 1.82 H new ATOM 251 N LEU A 16 6.267 0.162 -4.989 1.00 0.43 N ATOM 252 CA LEU A 16 5.613 1.437 -4.798 1.00 0.50 C ATOM 253 C LEU A 16 6.526 2.372 -4.007 1.00 0.48 C ATOM 254 O LEU A 16 7.115 2.009 -2.989 1.00 0.64 O ATOM 255 CB LEU A 16 4.257 1.183 -4.108 1.00 0.75 C ATOM 256 CG LEU A 16 3.791 2.174 -3.037 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.300 2.018 -2.810 1.00 2.23 C ATOM 258 CD2 LEU A 16 4.513 1.947 -1.717 1.00 1.59 C ATOM 0 H LEU A 16 5.994 -0.563 -4.325 1.00 0.43 H new ATOM 0 HA LEU A 16 5.418 1.933 -5.749 1.00 0.50 H new ATOM 0 HB2 LEU A 16 3.491 1.146 -4.883 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.296 0.194 -3.651 1.00 0.75 H new ATOM 0 HG LEU A 16 4.020 3.179 -3.392 1.00 1.35 H new ATOM 0 HD11 LEU A 16 1.972 2.725 -2.047 1.00 2.23 H new ATOM 0 HD12 LEU A 16 1.768 2.215 -3.740 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.087 1.002 -2.479 1.00 2.23 H new ATOM 0 HD21 LEU A 16 4.158 2.667 -0.980 1.00 1.59 H new ATOM 0 HD22 LEU A 16 4.313 0.936 -1.362 1.00 1.59 H new ATOM 0 HD23 LEU A 16 5.586 2.075 -1.862 1.00 1.59 H new ATOM 270 N ARG A 17 6.708 3.548 -4.586 1.00 0.40 N ATOM 271 CA ARG A 17 7.755 4.469 -4.214 1.00 0.42 C ATOM 272 C ARG A 17 7.156 5.857 -4.029 1.00 0.35 C ATOM 273 O ARG A 17 6.164 6.178 -4.689 1.00 0.37 O ATOM 274 CB ARG A 17 8.769 4.467 -5.353 1.00 0.59 C ATOM 275 CG ARG A 17 10.124 5.038 -5.007 1.00 1.00 C ATOM 276 CD ARG A 17 11.062 4.921 -6.194 1.00 1.17 C ATOM 277 NE ARG A 17 10.555 5.652 -7.353 1.00 1.46 N ATOM 278 CZ ARG A 17 11.324 6.148 -8.318 1.00 1.93 C ATOM 279 NH1 ARG A 17 12.643 5.991 -8.279 1.00 2.43 N ATOM 280 NH2 ARG A 17 10.766 6.793 -9.330 1.00 2.61 N ATOM 0 H ARG A 17 6.116 3.890 -5.343 1.00 0.40 H new ATOM 0 HA ARG A 17 8.235 4.181 -3.279 1.00 0.42 H new ATOM 0 HB2 ARG A 17 8.902 3.442 -5.699 1.00 0.59 H new ATOM 0 HB3 ARG A 17 8.356 5.034 -6.187 1.00 0.59 H new ATOM 0 HG2 ARG A 17 10.022 6.084 -4.716 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.542 4.508 -4.151 1.00 1.00 H new ATOM 0 HD2 ARG A 17 12.045 5.306 -5.921 1.00 1.17 H new ATOM 0 HD3 ARG A 17 11.192 3.870 -6.454 1.00 1.17 H new ATOM 0 HE ARG A 17 9.547 5.791 -7.427 1.00 1.46 H new ATOM 0 HH11 ARG A 17 13.074 5.486 -7.504 1.00 2.43 H new ATOM 0 HH12 ARG A 17 13.225 6.375 -9.024 1.00 2.43 H new ATOM 0 HH21 ARG A 17 9.753 6.907 -9.366 1.00 2.61 H new ATOM 0 HH22 ARG A 17 11.349 7.176 -10.074 1.00 2.61 H new ATOM 294 N ILE A 18 7.729 6.689 -3.167 1.00 0.33 N ATOM 295 CA ILE A 18 7.222 8.035 -3.038 1.00 0.31 C ATOM 296 C ILE A 18 8.010 9.000 -3.905 1.00 0.32 C ATOM 297 O ILE A 18 9.224 8.863 -4.090 1.00 0.36 O ATOM 298 CB ILE A 18 7.236 8.539 -1.582 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.660 8.592 -1.021 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.344 7.672 -0.707 1.00 0.41 C ATOM 301 CD1 ILE A 18 9.286 9.972 -1.062 1.00 0.91 C ATOM 0 H ILE A 18 8.521 6.459 -2.567 1.00 0.33 H new ATOM 0 HA ILE A 18 6.185 7.999 -3.373 1.00 0.31 H new ATOM 0 HB ILE A 18 6.842 9.555 -1.578 1.00 0.36 H new ATOM 0 HG12 ILE A 18 8.647 8.240 0.011 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.288 7.902 -1.585 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.367 8.044 0.317 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.321 7.707 -1.083 1.00 0.41 H new ATOM 0 HG23 ILE A 18 6.703 6.643 -0.728 1.00 0.41 H new ATOM 0 HD11 ILE A 18 10.293 9.927 -0.648 1.00 0.91 H new ATOM 0 HD12 ILE A 18 9.333 10.320 -2.094 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.682 10.663 -0.474 1.00 0.91 H new ATOM 313 N LEU A 19 7.287 9.949 -4.460 1.00 0.36 N ATOM 314 CA LEU A 19 7.862 11.039 -5.221 1.00 0.42 C ATOM 315 C LEU A 19 7.397 12.345 -4.594 1.00 0.41 C ATOM 316 O LEU A 19 6.360 12.373 -3.941 1.00 0.43 O ATOM 317 CB LEU A 19 7.410 10.965 -6.683 1.00 0.54 C ATOM 318 CG LEU A 19 7.849 9.712 -7.442 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.273 9.717 -8.849 1.00 1.56 C ATOM 320 CD2 LEU A 19 9.367 9.618 -7.490 1.00 1.84 C ATOM 0 H LEU A 19 6.270 9.986 -4.395 1.00 0.36 H new ATOM 0 HA LEU A 19 8.950 10.976 -5.203 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.322 11.025 -6.713 1.00 0.54 H new ATOM 0 HB3 LEU A 19 7.792 11.840 -7.209 1.00 0.54 H new ATOM 0 HG LEU A 19 7.468 8.838 -6.913 1.00 0.96 H new ATOM 0 HD11 LEU A 19 7.594 8.819 -9.377 1.00 1.56 H new ATOM 0 HD12 LEU A 19 6.184 9.737 -8.796 1.00 1.56 H new ATOM 0 HD13 LEU A 19 7.627 10.598 -9.384 1.00 1.56 H new ATOM 0 HD21 LEU A 19 9.659 8.720 -8.034 1.00 1.84 H new ATOM 0 HD22 LEU A 19 9.770 10.496 -7.995 1.00 1.84 H new ATOM 0 HD23 LEU A 19 9.761 9.571 -6.475 1.00 1.84 H new ATOM 332 N PRO A 20 8.119 13.455 -4.812 1.00 0.54 N ATOM 333 CA PRO A 20 7.816 14.740 -4.159 1.00 0.67 C ATOM 334 C PRO A 20 6.587 15.408 -4.762 1.00 0.68 C ATOM 335 O PRO A 20 6.259 16.557 -4.457 1.00 0.84 O ATOM 336 CB PRO A 20 9.054 15.594 -4.450 1.00 0.89 C ATOM 337 CG PRO A 20 10.078 14.653 -4.993 1.00 0.96 C ATOM 338 CD PRO A 20 9.309 13.557 -5.663 1.00 0.70 C ATOM 0 HA PRO A 20 7.602 14.613 -3.098 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.826 16.381 -5.169 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.413 16.083 -3.545 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.737 15.157 -5.700 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.708 14.258 -4.196 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.054 13.808 -6.693 1.00 0.70 H new ATOM 0 HD3 PRO A 20 9.871 12.623 -5.692 1.00 0.70 H new ATOM 346 N ASP A 21 5.922 14.661 -5.623 1.00 0.62 N ATOM 347 CA ASP A 21 4.669 15.085 -6.233 1.00 0.78 C ATOM 348 C ASP A 21 3.503 14.725 -5.324 1.00 0.75 C ATOM 349 O ASP A 21 2.382 15.205 -5.501 1.00 0.99 O ATOM 350 CB ASP A 21 4.479 14.399 -7.588 1.00 0.94 C ATOM 351 CG ASP A 21 5.532 14.781 -8.603 1.00 1.51 C ATOM 352 OD1 ASP A 21 6.706 14.400 -8.412 1.00 2.30 O ATOM 353 OD2 ASP A 21 5.196 15.462 -9.596 1.00 1.71 O ATOM 0 H ASP A 21 6.235 13.738 -5.923 1.00 0.62 H new ATOM 0 HA ASP A 21 4.702 16.165 -6.378 1.00 0.78 H new ATOM 0 HB2 ASP A 21 4.496 13.318 -7.446 1.00 0.94 H new ATOM 0 HB3 ASP A 21 3.495 14.654 -7.982 1.00 0.94 H new ATOM 358 N GLY A 22 3.781 13.867 -4.351 1.00 0.59 N ATOM 359 CA GLY A 22 2.749 13.399 -3.454 1.00 0.72 C ATOM 360 C GLY A 22 2.182 12.070 -3.898 1.00 0.61 C ATOM 361 O GLY A 22 1.046 11.750 -3.596 1.00 0.81 O ATOM 0 H GLY A 22 4.710 13.486 -4.169 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.158 13.302 -2.448 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.949 14.137 -3.403 1.00 0.72 H new ATOM 365 N THR A 23 2.990 11.284 -4.583 1.00 0.43 N ATOM 366 CA THR A 23 2.537 10.086 -5.239 1.00 0.39 C ATOM 367 C THR A 23 3.107 8.859 -4.575 1.00 0.40 C ATOM 368 O THR A 23 4.202 8.911 -4.014 1.00 0.46 O ATOM 369 CB THR A 23 3.042 10.060 -6.675 1.00 0.44 C ATOM 370 OG1 THR A 23 3.301 11.399 -7.127 1.00 0.49 O ATOM 371 CG2 THR A 23 2.032 9.401 -7.588 1.00 0.59 C ATOM 0 H THR A 23 3.987 11.466 -4.697 1.00 0.43 H new ATOM 0 HA THR A 23 1.448 10.085 -5.189 1.00 0.39 H new ATOM 0 HB THR A 23 3.965 9.481 -6.703 1.00 0.44 H new ATOM 0 HG1 THR A 23 3.627 11.375 -8.051 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.414 9.394 -8.609 1.00 0.59 H new ATOM 0 HG22 THR A 23 1.858 8.377 -7.259 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.095 9.957 -7.556 1.00 0.59 H new ATOM 379 N VAL A 24 2.375 7.766 -4.617 1.00 0.47 N ATOM 380 CA VAL A 24 3.000 6.494 -4.360 1.00 0.56 C ATOM 381 C VAL A 24 2.613 5.478 -5.459 1.00 0.42 C ATOM 382 O VAL A 24 1.471 5.030 -5.587 1.00 0.50 O ATOM 383 CB VAL A 24 2.682 6.009 -2.932 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.398 5.208 -2.868 1.00 0.97 C ATOM 385 CG2 VAL A 24 3.860 5.243 -2.363 1.00 1.61 C ATOM 0 H VAL A 24 1.376 7.734 -4.821 1.00 0.47 H new ATOM 0 HA VAL A 24 4.084 6.602 -4.405 1.00 0.56 H new ATOM 0 HB VAL A 24 2.516 6.888 -2.310 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.219 4.889 -1.841 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.566 5.826 -3.207 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.484 4.331 -3.510 1.00 0.97 H new ATOM 0 HG21 VAL A 24 3.622 4.906 -1.354 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.071 4.379 -2.993 1.00 1.61 H new ATOM 0 HG23 VAL A 24 4.735 5.892 -2.332 1.00 1.61 H new ATOM 395 N ASP A 25 3.572 5.225 -6.326 1.00 0.37 N ATOM 396 CA ASP A 25 3.399 4.324 -7.472 1.00 0.37 C ATOM 397 C ASP A 25 4.547 3.353 -7.588 1.00 0.39 C ATOM 398 O ASP A 25 5.596 3.572 -6.991 1.00 0.43 O ATOM 399 CB ASP A 25 3.277 5.139 -8.762 1.00 0.48 C ATOM 400 CG ASP A 25 4.504 5.999 -9.029 1.00 0.80 C ATOM 401 OD1 ASP A 25 4.530 7.159 -8.573 1.00 1.16 O ATOM 402 OD2 ASP A 25 5.445 5.524 -9.706 1.00 1.10 O ATOM 0 H ASP A 25 4.503 5.636 -6.264 1.00 0.37 H new ATOM 0 HA ASP A 25 2.486 3.750 -7.313 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.123 4.462 -9.602 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.396 5.778 -8.702 1.00 0.48 H new ATOM 407 N GLY A 26 4.373 2.286 -8.369 1.00 0.38 N ATOM 408 CA GLY A 26 5.480 1.376 -8.517 1.00 0.40 C ATOM 409 C GLY A 26 6.421 1.706 -9.655 1.00 0.42 C ATOM 410 O GLY A 26 6.030 2.034 -10.775 1.00 0.52 O ATOM 0 H GLY A 26 3.522 2.048 -8.878 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.048 1.361 -7.587 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.088 0.370 -8.667 1.00 0.40 H new ATOM 414 N THR A 27 7.670 1.570 -9.312 1.00 0.42 N ATOM 415 CA THR A 27 8.815 1.693 -10.184 1.00 0.50 C ATOM 416 C THR A 27 9.813 0.683 -9.672 1.00 0.54 C ATOM 417 O THR A 27 9.846 0.465 -8.460 1.00 0.56 O ATOM 418 CB THR A 27 9.388 3.118 -10.114 1.00 0.57 C ATOM 419 OG1 THR A 27 8.476 4.040 -10.727 1.00 0.67 O ATOM 420 CG2 THR A 27 10.746 3.201 -10.780 1.00 0.70 C ATOM 0 H THR A 27 7.939 1.356 -8.352 1.00 0.42 H new ATOM 0 HA THR A 27 8.560 1.511 -11.228 1.00 0.50 H new ATOM 0 HB THR A 27 9.517 3.382 -9.064 1.00 0.57 H new ATOM 0 HG1 THR A 27 8.845 4.947 -10.678 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.122 4.222 -10.713 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.439 2.525 -10.279 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.655 2.916 -11.828 1.00 0.70 H new ATOM 428 N ARG A 28 10.606 0.014 -10.496 1.00 0.64 N ATOM 429 CA ARG A 28 11.444 -0.966 -9.861 1.00 0.71 C ATOM 430 C ARG A 28 12.748 -0.330 -9.452 1.00 0.65 C ATOM 431 O ARG A 28 13.633 -0.062 -10.262 1.00 0.72 O ATOM 432 CB ARG A 28 11.722 -2.134 -10.791 1.00 0.91 C ATOM 433 CG ARG A 28 12.526 -3.254 -10.149 1.00 1.56 C ATOM 434 CD ARG A 28 12.986 -4.280 -11.174 1.00 1.84 C ATOM 435 NE ARG A 28 11.872 -4.851 -11.932 1.00 2.32 N ATOM 436 CZ ARG A 28 11.774 -6.137 -12.265 1.00 2.92 C ATOM 437 NH1 ARG A 28 12.686 -7.010 -11.851 1.00 3.18 N ATOM 438 NH2 ARG A 28 10.750 -6.553 -12.996 1.00 3.76 N ATOM 0 H ARG A 28 10.682 0.119 -11.508 1.00 0.64 H new ATOM 0 HA ARG A 28 10.921 -1.342 -8.981 1.00 0.71 H new ATOM 0 HB2 ARG A 28 10.773 -2.538 -11.145 1.00 0.91 H new ATOM 0 HB3 ARG A 28 12.260 -1.769 -11.666 1.00 0.91 H new ATOM 0 HG2 ARG A 28 13.394 -2.833 -9.641 1.00 1.56 H new ATOM 0 HG3 ARG A 28 11.920 -3.747 -9.389 1.00 1.56 H new ATOM 0 HD2 ARG A 28 13.688 -3.811 -11.863 1.00 1.84 H new ATOM 0 HD3 ARG A 28 13.524 -5.080 -10.666 1.00 1.84 H new ATOM 0 HE ARG A 28 11.122 -4.224 -12.224 1.00 2.32 H new ATOM 0 HH11 ARG A 28 13.467 -6.697 -11.275 1.00 3.18 H new ATOM 0 HH12 ARG A 28 12.605 -7.993 -12.110 1.00 3.18 H new ATOM 0 HH21 ARG A 28 10.039 -5.889 -13.302 1.00 3.76 H new ATOM 0 HH22 ARG A 28 10.673 -7.537 -13.252 1.00 3.76 H new ATOM 452 N ASP A 29 12.823 -0.133 -8.165 1.00 0.68 N ATOM 453 CA ASP A 29 14.052 0.120 -7.429 1.00 0.69 C ATOM 454 C ASP A 29 13.899 -0.448 -6.031 1.00 0.81 C ATOM 455 O ASP A 29 13.060 0.032 -5.281 1.00 1.48 O ATOM 456 CB ASP A 29 14.360 1.622 -7.323 1.00 1.04 C ATOM 457 CG ASP A 29 14.905 2.230 -8.603 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.099 2.011 -8.915 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.150 2.939 -9.298 1.00 2.20 O ATOM 0 H ASP A 29 11.998 -0.143 -7.565 1.00 0.68 H new ATOM 0 HA ASP A 29 14.875 -0.354 -7.964 1.00 0.69 H new ATOM 0 HB2 ASP A 29 13.450 2.151 -7.040 1.00 1.04 H new ATOM 0 HB3 ASP A 29 15.082 1.779 -6.522 1.00 1.04 H new ATOM 464 N ARG A 30 14.678 -1.427 -5.640 1.00 0.62 N ATOM 465 CA ARG A 30 14.675 -1.804 -4.234 1.00 0.91 C ATOM 466 C ARG A 30 16.093 -1.775 -3.709 1.00 1.03 C ATOM 467 O ARG A 30 16.376 -2.141 -2.572 1.00 1.18 O ATOM 468 CB ARG A 30 13.979 -3.147 -3.972 1.00 1.63 C ATOM 469 CG ARG A 30 14.865 -4.382 -4.040 1.00 2.20 C ATOM 470 CD ARG A 30 15.285 -4.715 -5.458 1.00 2.58 C ATOM 471 NE ARG A 30 15.894 -6.038 -5.530 1.00 3.27 N ATOM 472 CZ ARG A 30 16.882 -6.368 -6.352 1.00 3.80 C ATOM 473 NH1 ARG A 30 17.392 -5.472 -7.186 1.00 3.96 N ATOM 474 NH2 ARG A 30 17.369 -7.602 -6.329 1.00 4.57 N ATOM 0 H ARG A 30 15.302 -1.964 -6.242 1.00 0.62 H new ATOM 0 HA ARG A 30 14.080 -1.074 -3.686 1.00 0.91 H new ATOM 0 HB2 ARG A 30 13.519 -3.108 -2.985 1.00 1.63 H new ATOM 0 HB3 ARG A 30 13.172 -3.263 -4.696 1.00 1.63 H new ATOM 0 HG2 ARG A 30 15.753 -4.222 -3.429 1.00 2.20 H new ATOM 0 HG3 ARG A 30 14.333 -5.232 -3.613 1.00 2.20 H new ATOM 0 HD2 ARG A 30 14.417 -4.675 -6.116 1.00 2.58 H new ATOM 0 HD3 ARG A 30 15.992 -3.966 -5.816 1.00 2.58 H new ATOM 0 HE ARG A 30 15.536 -6.760 -4.905 1.00 3.27 H new ATOM 0 HH11 ARG A 30 17.025 -4.520 -7.199 1.00 3.96 H new ATOM 0 HH12 ARG A 30 18.151 -5.734 -7.814 1.00 3.96 H new ATOM 0 HH21 ARG A 30 16.984 -8.290 -5.682 1.00 4.57 H new ATOM 0 HH22 ARG A 30 18.128 -7.862 -6.958 1.00 4.57 H new ATOM 488 N SER A 31 16.973 -1.306 -4.573 1.00 1.72 N ATOM 489 CA SER A 31 18.332 -1.014 -4.203 1.00 2.60 C ATOM 490 C SER A 31 18.471 0.482 -3.950 1.00 2.41 C ATOM 491 O SER A 31 19.578 1.010 -3.873 1.00 2.90 O ATOM 492 CB SER A 31 19.280 -1.480 -5.308 1.00 3.49 C ATOM 493 OG SER A 31 18.747 -1.181 -6.591 1.00 4.00 O ATOM 0 H SER A 31 16.758 -1.119 -5.552 1.00 1.72 H new ATOM 0 HA SER A 31 18.594 -1.546 -3.289 1.00 2.60 H new ATOM 0 HB2 SER A 31 20.249 -0.995 -5.190 1.00 3.49 H new ATOM 0 HB3 SER A 31 19.448 -2.553 -5.220 1.00 3.49 H new ATOM 0 HG SER A 31 19.370 -1.486 -7.283 1.00 4.00 H new ATOM 499 N ASP A 32 17.332 1.165 -3.822 1.00 1.76 N ATOM 500 CA ASP A 32 17.334 2.573 -3.516 1.00 1.59 C ATOM 501 C ASP A 32 16.643 2.752 -2.172 1.00 1.18 C ATOM 502 O ASP A 32 16.185 1.778 -1.575 1.00 1.25 O ATOM 503 CB ASP A 32 16.590 3.310 -4.648 1.00 1.59 C ATOM 504 CG ASP A 32 16.481 4.811 -4.456 1.00 1.92 C ATOM 505 OD1 ASP A 32 17.467 5.527 -4.724 1.00 2.08 O ATOM 506 OD2 ASP A 32 15.402 5.280 -4.044 1.00 2.37 O ATOM 0 H ASP A 32 16.404 0.755 -3.928 1.00 1.76 H new ATOM 0 HA ASP A 32 18.342 2.983 -3.448 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.102 3.113 -5.590 1.00 1.59 H new ATOM 0 HB3 ASP A 32 15.586 2.894 -4.737 1.00 1.59 H new ATOM 511 N GLN A 33 16.538 3.971 -1.714 1.00 1.02 N ATOM 512 CA GLN A 33 15.949 4.247 -0.425 1.00 0.76 C ATOM 513 C GLN A 33 14.631 5.013 -0.518 1.00 0.55 C ATOM 514 O GLN A 33 14.501 6.083 0.074 1.00 0.72 O ATOM 515 CB GLN A 33 16.972 4.976 0.421 1.00 1.03 C ATOM 516 CG GLN A 33 17.898 4.032 1.177 1.00 1.73 C ATOM 517 CD GLN A 33 18.885 4.751 2.076 1.00 2.18 C ATOM 518 OE1 GLN A 33 18.488 5.902 2.598 1.00 2.42 O flip ATOM 519 NE2 GLN A 33 19.998 4.269 2.307 1.00 2.92 N flip ATOM 0 H GLN A 33 16.856 4.799 -2.219 1.00 1.02 H new ATOM 0 HA GLN A 33 15.686 3.301 0.047 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.568 5.626 -0.219 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.455 5.618 1.134 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.297 3.351 1.780 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.448 3.422 0.460 1.00 1.73 H new ATOM 0 HE21 GLN A 33 20.266 3.380 1.885 1.00 2.92 H new ATOM 0 HE22 GLN A 33 20.649 4.760 2.919 1.00 2.92 H new ATOM 528 N HIS A 34 13.657 4.503 -1.255 1.00 0.44 N ATOM 529 CA HIS A 34 12.372 5.191 -1.342 1.00 0.36 C ATOM 530 C HIS A 34 11.191 4.240 -1.193 1.00 0.32 C ATOM 531 O HIS A 34 10.071 4.677 -0.953 1.00 0.37 O ATOM 532 CB HIS A 34 12.262 5.973 -2.655 1.00 0.57 C ATOM 533 CG HIS A 34 13.009 7.274 -2.649 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.288 7.415 -3.139 1.00 1.54 N ATOM 535 CD2 HIS A 34 12.646 8.499 -2.201 1.00 1.29 C ATOM 536 CE1 HIS A 34 14.678 8.667 -2.991 1.00 1.61 C ATOM 537 NE2 HIS A 34 13.700 9.347 -2.424 1.00 1.34 N ATOM 0 H HIS A 34 13.724 3.637 -1.790 1.00 0.44 H new ATOM 0 HA HIS A 34 12.332 5.890 -0.506 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.637 5.353 -3.469 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.210 6.170 -2.863 1.00 0.57 H new ATOM 0 HD1 HIS A 34 14.847 6.668 -3.552 1.00 1.54 H new ATOM 0 HD2 HIS A 34 11.700 8.760 -1.751 1.00 1.29 H new ATOM 0 HE1 HIS A 34 15.637 9.068 -3.285 1.00 1.61 H new ATOM 546 N ILE A 35 11.431 2.946 -1.355 1.00 0.38 N ATOM 547 CA ILE A 35 10.346 1.970 -1.312 1.00 0.45 C ATOM 548 C ILE A 35 10.107 1.386 0.085 1.00 0.46 C ATOM 549 O ILE A 35 9.459 0.346 0.211 1.00 0.63 O ATOM 550 CB ILE A 35 10.559 0.812 -2.322 1.00 0.63 C ATOM 551 CG1 ILE A 35 11.690 -0.149 -1.892 1.00 1.16 C ATOM 552 CG2 ILE A 35 10.832 1.373 -3.708 1.00 1.51 C ATOM 553 CD1 ILE A 35 13.083 0.454 -1.873 1.00 2.04 C ATOM 0 H ILE A 35 12.357 2.549 -1.516 1.00 0.38 H new ATOM 0 HA ILE A 35 9.457 2.533 -1.595 1.00 0.45 H new ATOM 0 HB ILE A 35 9.640 0.226 -2.343 1.00 0.63 H new ATOM 0 HG12 ILE A 35 11.463 -0.528 -0.896 1.00 1.16 H new ATOM 0 HG13 ILE A 35 11.692 -1.006 -2.566 1.00 1.16 H new ATOM 0 HG21 ILE A 35 10.980 0.552 -4.410 1.00 1.51 H new ATOM 0 HG22 ILE A 35 9.984 1.977 -4.030 1.00 1.51 H new ATOM 0 HG23 ILE A 35 11.728 1.993 -3.680 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.802 -0.302 -1.558 1.00 2.04 H new ATOM 0 HD12 ILE A 35 13.341 0.806 -2.872 1.00 2.04 H new ATOM 0 HD13 ILE A 35 13.108 1.291 -1.175 1.00 2.04 H new ATOM 565 N GLN A 36 10.607 2.026 1.139 1.00 0.38 N ATOM 566 CA GLN A 36 10.493 1.420 2.461 1.00 0.37 C ATOM 567 C GLN A 36 9.444 2.111 3.329 1.00 0.35 C ATOM 568 O GLN A 36 9.690 3.165 3.927 1.00 0.35 O ATOM 569 CB GLN A 36 11.843 1.396 3.190 1.00 0.43 C ATOM 570 CG GLN A 36 12.452 2.763 3.476 1.00 0.52 C ATOM 571 CD GLN A 36 13.511 3.151 2.467 1.00 0.71 C ATOM 572 OE1 GLN A 36 13.764 4.325 2.246 1.00 1.17 O ATOM 573 NE2 GLN A 36 14.131 2.162 1.839 1.00 1.29 N ATOM 0 H GLN A 36 11.078 2.930 1.109 1.00 0.38 H new ATOM 0 HA GLN A 36 10.167 0.393 2.296 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.718 0.867 4.135 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.550 0.819 2.593 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.663 3.515 3.477 1.00 0.52 H new ATOM 0 HG3 GLN A 36 12.890 2.760 4.474 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.892 1.194 2.051 1.00 1.29 H new ATOM 0 HE22 GLN A 36 14.848 2.369 1.143 1.00 1.29 H new ATOM 582 N LEU A 37 8.291 1.480 3.446 1.00 0.36 N ATOM 583 CA LEU A 37 7.252 1.986 4.313 1.00 0.35 C ATOM 584 C LEU A 37 7.111 1.093 5.504 1.00 0.37 C ATOM 585 O LEU A 37 7.263 -0.110 5.414 1.00 0.48 O ATOM 586 CB LEU A 37 5.905 2.133 3.594 1.00 0.38 C ATOM 587 CG LEU A 37 5.516 1.035 2.595 1.00 0.45 C ATOM 588 CD1 LEU A 37 5.044 -0.225 3.302 1.00 0.94 C ATOM 589 CD2 LEU A 37 4.432 1.543 1.663 1.00 0.94 C ATOM 0 H LEU A 37 8.054 0.620 2.952 1.00 0.36 H new ATOM 0 HA LEU A 37 7.549 2.985 4.632 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.123 2.192 4.351 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.908 3.085 3.064 1.00 0.38 H new ATOM 0 HG LEU A 37 6.404 0.780 2.017 1.00 0.45 H new ATOM 0 HD11 LEU A 37 4.777 -0.979 2.562 1.00 0.94 H new ATOM 0 HD12 LEU A 37 5.843 -0.607 3.938 1.00 0.94 H new ATOM 0 HD13 LEU A 37 4.172 0.006 3.914 1.00 0.94 H new ATOM 0 HD21 LEU A 37 4.162 0.758 0.957 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.555 1.826 2.245 1.00 0.94 H new ATOM 0 HD23 LEU A 37 4.800 2.411 1.116 1.00 0.94 H new ATOM 601 N GLN A 38 6.821 1.675 6.617 1.00 0.34 N ATOM 602 CA GLN A 38 6.659 0.906 7.809 1.00 0.39 C ATOM 603 C GLN A 38 5.166 0.637 7.970 1.00 0.40 C ATOM 604 O GLN A 38 4.377 1.528 8.290 1.00 0.41 O ATOM 605 CB GLN A 38 7.331 1.660 8.973 1.00 0.45 C ATOM 606 CG GLN A 38 6.539 1.734 10.271 1.00 0.93 C ATOM 607 CD GLN A 38 6.475 0.409 11.014 1.00 1.37 C ATOM 608 OE1 GLN A 38 6.478 -0.667 10.414 1.00 2.05 O ATOM 609 NE2 GLN A 38 6.436 0.482 12.334 1.00 2.12 N ATOM 0 H GLN A 38 6.691 2.680 6.730 1.00 0.34 H new ATOM 0 HA GLN A 38 7.149 -0.067 7.779 1.00 0.39 H new ATOM 0 HB2 GLN A 38 8.289 1.184 9.183 1.00 0.45 H new ATOM 0 HB3 GLN A 38 7.546 2.677 8.644 1.00 0.45 H new ATOM 0 HG2 GLN A 38 6.989 2.485 10.920 1.00 0.93 H new ATOM 0 HG3 GLN A 38 5.525 2.068 10.051 1.00 0.93 H new ATOM 0 HE21 GLN A 38 6.435 1.392 12.795 1.00 2.12 H new ATOM 0 HE22 GLN A 38 6.407 -0.372 12.891 1.00 2.12 H new ATOM 618 N LEU A 39 4.782 -0.599 7.673 1.00 0.43 N ATOM 619 CA LEU A 39 3.379 -0.956 7.558 1.00 0.46 C ATOM 620 C LEU A 39 3.014 -1.999 8.596 1.00 0.55 C ATOM 621 O LEU A 39 3.309 -3.185 8.428 1.00 0.77 O ATOM 622 CB LEU A 39 3.084 -1.491 6.154 1.00 0.61 C ATOM 623 CG LEU A 39 1.754 -1.040 5.543 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.503 -1.761 4.229 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.601 -1.265 6.508 1.00 1.45 C ATOM 0 H LEU A 39 5.428 -1.371 7.507 1.00 0.43 H new ATOM 0 HA LEU A 39 2.778 -0.063 7.731 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.892 -1.184 5.490 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.097 -2.580 6.189 1.00 0.61 H new ATOM 0 HG LEU A 39 1.818 0.030 5.346 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.554 -1.429 3.808 1.00 1.75 H new ATOM 0 HD12 LEU A 39 2.309 -1.535 3.531 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.466 -2.836 4.405 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.330 -0.935 6.046 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.530 -2.326 6.750 1.00 1.45 H new ATOM 0 HD23 LEU A 39 0.774 -0.696 7.421 1.00 1.45 H new ATOM 637 N SER A 40 2.383 -1.554 9.662 1.00 0.46 N ATOM 638 CA SER A 40 1.997 -2.445 10.735 1.00 0.56 C ATOM 639 C SER A 40 0.482 -2.604 10.768 1.00 0.42 C ATOM 640 O SER A 40 -0.251 -1.728 10.302 1.00 0.37 O ATOM 641 CB SER A 40 2.512 -1.897 12.073 1.00 0.71 C ATOM 642 OG SER A 40 2.271 -2.803 13.137 1.00 1.38 O ATOM 0 H SER A 40 2.126 -0.578 9.809 1.00 0.46 H new ATOM 0 HA SER A 40 2.440 -3.426 10.563 1.00 0.56 H new ATOM 0 HB2 SER A 40 3.581 -1.699 11.998 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.026 -0.945 12.288 1.00 0.71 H new ATOM 0 HG SER A 40 2.613 -2.424 13.973 1.00 1.38 H new ATOM 648 N ALA A 41 0.019 -3.714 11.316 1.00 0.56 N ATOM 649 CA ALA A 41 -1.394 -3.887 11.600 1.00 0.56 C ATOM 650 C ALA A 41 -1.543 -3.966 13.101 1.00 0.64 C ATOM 651 O ALA A 41 -1.363 -5.027 13.703 1.00 0.84 O ATOM 652 CB ALA A 41 -1.934 -5.149 10.943 1.00 0.89 C ATOM 0 H ALA A 41 0.603 -4.510 11.573 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.965 -3.050 11.198 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.994 -5.253 11.172 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.801 -5.082 9.863 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.394 -6.016 11.322 1.00 0.89 H new ATOM 658 N GLU A 42 -1.866 -2.845 13.718 1.00 0.92 N ATOM 659 CA GLU A 42 -1.671 -2.745 15.147 1.00 1.34 C ATOM 660 C GLU A 42 -2.952 -2.566 15.940 1.00 1.34 C ATOM 661 O GLU A 42 -2.940 -2.591 17.171 1.00 1.64 O ATOM 662 CB GLU A 42 -0.655 -1.657 15.493 1.00 1.88 C ATOM 663 CG GLU A 42 -1.019 -0.262 15.022 1.00 2.46 C ATOM 664 CD GLU A 42 0.057 0.745 15.373 1.00 2.62 C ATOM 665 OE1 GLU A 42 0.278 0.994 16.576 1.00 2.70 O ATOM 666 OE2 GLU A 42 0.678 1.305 14.443 1.00 3.12 O ATOM 0 H GLU A 42 -2.253 -2.016 13.267 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.271 -3.712 15.451 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.524 -1.635 16.575 1.00 1.88 H new ATOM 0 HB3 GLU A 42 0.308 -1.930 15.060 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -1.172 -0.270 13.943 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -1.963 0.041 15.475 1.00 2.46 H new ATOM 673 N SER A 43 -4.059 -2.382 15.231 1.00 1.09 N ATOM 674 CA SER A 43 -5.362 -2.461 15.847 1.00 1.14 C ATOM 675 C SER A 43 -6.063 -3.674 15.275 1.00 1.00 C ATOM 676 O SER A 43 -5.482 -4.378 14.445 1.00 1.09 O ATOM 677 CB SER A 43 -6.155 -1.177 15.616 1.00 1.24 C ATOM 678 OG SER A 43 -5.412 -0.045 16.035 1.00 1.59 O ATOM 0 H SER A 43 -4.073 -2.178 14.232 1.00 1.09 H new ATOM 0 HA SER A 43 -5.272 -2.567 16.928 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.404 -1.083 14.559 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.097 -1.222 16.163 1.00 1.24 H new ATOM 0 HG SER A 43 -5.937 0.767 15.877 1.00 1.59 H new ATOM 684 N VAL A 44 -7.279 -3.945 15.697 1.00 0.92 N ATOM 685 CA VAL A 44 -7.978 -5.099 15.175 1.00 0.91 C ATOM 686 C VAL A 44 -8.302 -4.900 13.692 1.00 0.77 C ATOM 687 O VAL A 44 -9.060 -4.006 13.314 1.00 0.79 O ATOM 688 CB VAL A 44 -9.266 -5.397 15.982 1.00 1.07 C ATOM 689 CG1 VAL A 44 -10.150 -4.161 16.093 1.00 1.85 C ATOM 690 CG2 VAL A 44 -10.038 -6.551 15.361 1.00 1.83 C ATOM 0 H VAL A 44 -7.795 -3.396 16.385 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.320 -5.962 15.277 1.00 0.91 H new ATOM 0 HB VAL A 44 -8.965 -5.685 16.989 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -11.045 -4.404 16.665 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.602 -3.366 16.598 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -10.436 -3.828 15.095 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.938 -6.742 15.945 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -10.316 -6.295 14.339 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -9.414 -7.444 15.354 1.00 1.83 H new ATOM 700 N GLY A 45 -7.678 -5.719 12.856 1.00 0.73 N ATOM 701 CA GLY A 45 -8.016 -5.761 11.454 1.00 0.67 C ATOM 702 C GLY A 45 -7.359 -4.668 10.634 1.00 0.54 C ATOM 703 O GLY A 45 -7.281 -4.780 9.411 1.00 0.56 O ATOM 0 H GLY A 45 -6.935 -6.361 13.132 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -7.726 -6.730 11.049 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.098 -5.682 11.348 1.00 0.67 H new ATOM 707 N GLU A 46 -6.882 -3.607 11.276 1.00 0.56 N ATOM 708 CA GLU A 46 -6.445 -2.454 10.527 1.00 0.50 C ATOM 709 C GLU A 46 -4.937 -2.275 10.469 1.00 0.40 C ATOM 710 O GLU A 46 -4.207 -2.603 11.400 1.00 0.48 O ATOM 711 CB GLU A 46 -7.137 -1.195 11.028 1.00 0.75 C ATOM 712 CG GLU A 46 -6.961 -0.940 12.505 1.00 1.02 C ATOM 713 CD GLU A 46 -7.794 0.227 12.984 1.00 1.35 C ATOM 714 OE1 GLU A 46 -7.535 1.366 12.552 1.00 1.67 O ATOM 715 OE2 GLU A 46 -8.701 0.017 13.815 1.00 1.80 O ATOM 0 H GLU A 46 -6.792 -3.529 12.289 1.00 0.56 H new ATOM 0 HA GLU A 46 -6.744 -2.640 9.495 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.754 -0.338 10.474 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -8.202 -1.267 10.807 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.237 -1.835 13.062 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -5.910 -0.745 12.716 1.00 1.02 H new ATOM 722 N VAL A 47 -4.497 -1.752 9.330 1.00 0.33 N ATOM 723 CA VAL A 47 -3.093 -1.483 9.067 1.00 0.33 C ATOM 724 C VAL A 47 -2.852 0.003 8.888 1.00 0.33 C ATOM 725 O VAL A 47 -3.677 0.718 8.315 1.00 0.36 O ATOM 726 CB VAL A 47 -2.554 -2.201 7.819 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.627 -3.703 7.981 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.295 -1.761 6.566 1.00 0.48 C ATOM 0 H VAL A 47 -5.113 -1.501 8.557 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.562 -1.865 9.939 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.507 -1.921 7.707 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.239 -4.185 7.084 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.031 -4.006 8.842 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.664 -4.002 8.135 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -2.891 -2.286 5.701 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.355 -1.994 6.669 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.171 -0.687 6.428 1.00 0.48 H new ATOM 738 N TYR A 48 -1.728 0.462 9.390 1.00 0.34 N ATOM 739 CA TYR A 48 -1.378 1.862 9.294 1.00 0.36 C ATOM 740 C TYR A 48 -0.066 2.000 8.542 1.00 0.38 C ATOM 741 O TYR A 48 0.929 1.358 8.886 1.00 0.39 O ATOM 742 CB TYR A 48 -1.284 2.487 10.688 1.00 0.41 C ATOM 743 CG TYR A 48 -1.150 3.995 10.675 1.00 0.55 C ATOM 744 CD1 TYR A 48 -2.077 4.786 10.014 1.00 0.91 C ATOM 745 CD2 TYR A 48 -0.097 4.624 11.330 1.00 1.47 C ATOM 746 CE1 TYR A 48 -1.960 6.162 10.002 1.00 1.00 C ATOM 747 CE2 TYR A 48 0.025 6.000 11.323 1.00 1.79 C ATOM 748 CZ TYR A 48 -0.895 6.763 10.642 1.00 1.23 C ATOM 749 OH TYR A 48 -0.798 8.136 10.648 1.00 1.60 O ATOM 0 H TYR A 48 -1.038 -0.116 9.871 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.155 2.395 8.746 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -2.173 2.216 11.258 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -0.428 2.060 11.210 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -2.904 4.319 9.500 1.00 0.91 H new ATOM 0 HD2 TYR A 48 0.637 4.028 11.852 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -2.698 6.765 9.494 1.00 1.00 H new ATOM 0 HE2 TYR A 48 0.839 6.475 11.850 1.00 1.79 H new ATOM 0 HH TYR A 48 -1.694 8.528 10.588 1.00 1.60 H new ATOM 759 N ILE A 49 -0.077 2.824 7.506 1.00 0.42 N ATOM 760 CA ILE A 49 1.085 2.982 6.655 1.00 0.44 C ATOM 761 C ILE A 49 1.895 4.189 7.088 1.00 0.42 C ATOM 762 O ILE A 49 1.411 5.321 7.112 1.00 0.52 O ATOM 763 CB ILE A 49 0.705 3.110 5.163 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.062 1.866 4.705 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.957 3.310 4.314 1.00 0.58 C ATOM 766 CD1 ILE A 49 -0.343 1.833 3.218 1.00 1.20 C ATOM 0 H ILE A 49 -0.880 3.393 7.237 1.00 0.42 H new ATOM 0 HA ILE A 49 1.687 2.080 6.764 1.00 0.44 H new ATOM 0 HB ILE A 49 0.061 3.980 5.037 1.00 0.52 H new ATOM 0 HG12 ILE A 49 0.509 0.978 4.977 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.007 1.815 5.245 1.00 0.62 H new ATOM 0 HG21 ILE A 49 1.675 3.399 3.265 1.00 0.58 H new ATOM 0 HG22 ILE A 49 2.470 4.219 4.630 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.622 2.456 4.440 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -0.889 0.922 2.971 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -0.941 2.701 2.941 1.00 1.20 H new ATOM 0 HD13 ILE A 49 0.599 1.852 2.669 1.00 1.20 H new ATOM 778 N LYS A 50 3.123 3.921 7.463 1.00 0.36 N ATOM 779 CA LYS A 50 4.013 4.934 7.979 1.00 0.37 C ATOM 780 C LYS A 50 5.260 5.000 7.127 1.00 0.35 C ATOM 781 O LYS A 50 5.622 4.032 6.471 1.00 0.36 O ATOM 782 CB LYS A 50 4.388 4.631 9.430 1.00 0.44 C ATOM 783 CG LYS A 50 3.190 4.471 10.348 1.00 0.93 C ATOM 784 CD LYS A 50 3.611 4.105 11.761 1.00 0.88 C ATOM 785 CE LYS A 50 4.303 5.261 12.467 1.00 1.35 C ATOM 786 NZ LYS A 50 3.374 6.388 12.759 1.00 1.86 N ATOM 0 H LYS A 50 3.535 2.989 7.419 1.00 0.36 H new ATOM 0 HA LYS A 50 3.503 5.897 7.948 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.982 3.718 9.460 1.00 0.44 H new ATOM 0 HB3 LYS A 50 5.020 5.435 9.808 1.00 0.44 H new ATOM 0 HG2 LYS A 50 2.619 5.400 10.367 1.00 0.93 H new ATOM 0 HG3 LYS A 50 2.529 3.699 9.953 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.734 3.803 12.334 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.282 3.246 11.729 1.00 0.88 H new ATOM 0 HE2 LYS A 50 4.740 4.904 13.399 1.00 1.35 H new ATOM 0 HE3 LYS A 50 5.124 5.622 11.847 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 3.832 7.056 13.411 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 3.134 6.878 11.874 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 2.506 6.018 13.196 1.00 1.86 H new ATOM 800 N SER A 51 5.899 6.144 7.107 1.00 0.40 N ATOM 801 CA SER A 51 7.166 6.261 6.451 1.00 0.39 C ATOM 802 C SER A 51 8.246 5.793 7.388 1.00 0.39 C ATOM 803 O SER A 51 8.208 6.058 8.590 1.00 0.48 O ATOM 804 CB SER A 51 7.452 7.724 6.101 1.00 0.48 C ATOM 805 OG SER A 51 6.415 8.286 5.333 1.00 1.10 O ATOM 0 H SER A 51 5.558 7.003 7.539 1.00 0.40 H new ATOM 0 HA SER A 51 7.145 5.661 5.541 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.579 8.300 7.018 1.00 0.48 H new ATOM 0 HB3 SER A 51 8.390 7.790 5.550 1.00 0.48 H new ATOM 0 HG SER A 51 6.557 9.252 5.249 1.00 1.10 H new ATOM 811 N THR A 52 9.189 5.072 6.832 1.00 0.35 N ATOM 812 CA THR A 52 10.429 4.876 7.494 1.00 0.41 C ATOM 813 C THR A 52 11.177 6.168 7.263 1.00 0.45 C ATOM 814 O THR A 52 10.926 7.155 7.951 1.00 0.53 O ATOM 815 CB THR A 52 11.186 3.661 6.936 1.00 0.43 C ATOM 816 OG1 THR A 52 10.303 2.533 6.885 1.00 0.62 O ATOM 817 CG2 THR A 52 12.380 3.319 7.804 1.00 0.77 C ATOM 0 H THR A 52 9.109 4.617 5.923 1.00 0.35 H new ATOM 0 HA THR A 52 10.306 4.657 8.555 1.00 0.41 H new ATOM 0 HB THR A 52 11.542 3.907 5.936 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.926 2.453 5.984 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.898 2.456 7.387 1.00 0.77 H new ATOM 0 HG22 THR A 52 13.061 4.169 7.837 1.00 0.77 H new ATOM 0 HG23 THR A 52 12.041 3.086 8.813 1.00 0.77 H new ATOM 825 N GLU A 53 12.067 6.202 6.311 1.00 0.46 N ATOM 826 CA GLU A 53 12.587 7.499 5.897 1.00 0.53 C ATOM 827 C GLU A 53 11.732 8.085 4.766 1.00 0.44 C ATOM 828 O GLU A 53 11.284 9.229 4.829 1.00 0.47 O ATOM 829 CB GLU A 53 14.041 7.369 5.433 1.00 0.68 C ATOM 830 CG GLU A 53 15.008 7.004 6.546 1.00 1.43 C ATOM 831 CD GLU A 53 16.434 6.862 6.057 1.00 1.83 C ATOM 832 OE1 GLU A 53 16.973 7.839 5.498 1.00 2.55 O ATOM 833 OE2 GLU A 53 17.020 5.766 6.216 1.00 2.11 O ATOM 0 H GLU A 53 12.442 5.392 5.818 1.00 0.46 H new ATOM 0 HA GLU A 53 12.547 8.171 6.754 1.00 0.53 H new ATOM 0 HB2 GLU A 53 14.097 6.611 4.652 1.00 0.68 H new ATOM 0 HB3 GLU A 53 14.356 8.312 4.985 1.00 0.68 H new ATOM 0 HG2 GLU A 53 14.969 7.769 7.322 1.00 1.43 H new ATOM 0 HG3 GLU A 53 14.691 6.068 7.005 1.00 1.43 H new ATOM 840 N THR A 54 11.493 7.268 3.752 1.00 0.36 N ATOM 841 CA THR A 54 10.733 7.665 2.569 1.00 0.30 C ATOM 842 C THR A 54 9.419 6.913 2.384 1.00 0.31 C ATOM 843 O THR A 54 8.909 6.869 1.274 1.00 0.38 O ATOM 844 CB THR A 54 11.592 7.476 1.322 1.00 0.40 C ATOM 845 OG1 THR A 54 12.136 6.160 1.334 1.00 1.13 O ATOM 846 CG2 THR A 54 12.714 8.498 1.279 1.00 0.93 C ATOM 0 H THR A 54 11.822 6.303 3.723 1.00 0.36 H new ATOM 0 HA THR A 54 10.472 8.712 2.721 1.00 0.30 H new ATOM 0 HB THR A 54 10.972 7.617 0.437 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.106 6.206 1.200 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.313 8.343 0.381 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.291 9.502 1.264 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.345 8.383 2.160 1.00 0.93 H new ATOM 854 N GLY A 55 8.855 6.306 3.410 1.00 0.33 N ATOM 855 CA GLY A 55 8.015 5.165 3.104 1.00 0.40 C ATOM 856 C GLY A 55 6.561 5.444 2.817 1.00 0.46 C ATOM 857 O GLY A 55 5.959 4.642 2.114 1.00 0.56 O ATOM 0 H GLY A 55 8.950 6.558 4.394 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.439 4.654 2.240 1.00 0.40 H new ATOM 0 HA3 GLY A 55 8.068 4.471 3.943 1.00 0.40 H new ATOM 861 N GLN A 56 6.026 6.585 3.270 1.00 0.43 N ATOM 862 CA GLN A 56 4.703 7.077 2.812 1.00 0.54 C ATOM 863 C GLN A 56 4.040 8.010 3.821 1.00 0.56 C ATOM 864 O GLN A 56 3.786 7.648 4.968 1.00 0.63 O ATOM 865 CB GLN A 56 3.733 5.909 2.607 1.00 0.81 C ATOM 866 CG GLN A 56 2.346 6.285 2.135 1.00 0.91 C ATOM 867 CD GLN A 56 2.173 6.161 0.636 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.965 5.062 0.130 1.00 2.18 O ATOM 869 NE2 GLN A 56 2.139 7.281 -0.071 1.00 1.06 N ATOM 0 H GLN A 56 6.482 7.190 3.953 1.00 0.43 H new ATOM 0 HA GLN A 56 4.899 7.613 1.883 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.169 5.221 1.883 1.00 0.81 H new ATOM 0 HB3 GLN A 56 3.642 5.366 3.548 1.00 0.81 H new ATOM 0 HG2 GLN A 56 1.615 5.648 2.633 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.132 7.311 2.435 1.00 0.91 H new ATOM 0 HE21 GLN A 56 2.317 8.177 0.384 1.00 1.06 H new ATOM 0 HE22 GLN A 56 1.935 7.248 -1.070 1.00 1.06 H new ATOM 878 N TYR A 57 3.647 9.168 3.349 1.00 0.57 N ATOM 879 CA TYR A 57 2.780 10.032 4.099 1.00 0.62 C ATOM 880 C TYR A 57 1.454 10.021 3.387 1.00 0.59 C ATOM 881 O TYR A 57 1.084 10.975 2.709 1.00 0.67 O ATOM 882 CB TYR A 57 3.366 11.436 4.187 1.00 0.76 C ATOM 883 CG TYR A 57 4.635 11.506 5.011 1.00 1.77 C ATOM 884 CD1 TYR A 57 4.579 11.595 6.396 1.00 2.17 C ATOM 885 CD2 TYR A 57 5.885 11.481 4.407 1.00 2.59 C ATOM 886 CE1 TYR A 57 5.733 11.657 7.155 1.00 3.20 C ATOM 887 CE2 TYR A 57 7.043 11.543 5.159 1.00 3.64 C ATOM 888 CZ TYR A 57 6.961 11.630 6.532 1.00 3.91 C ATOM 889 OH TYR A 57 8.112 11.695 7.284 1.00 4.98 O ATOM 0 H TYR A 57 3.920 9.534 2.437 1.00 0.57 H new ATOM 0 HA TYR A 57 2.662 9.690 5.127 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.574 11.799 3.180 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.623 12.106 4.620 1.00 0.76 H new ATOM 0 HD1 TYR A 57 3.618 11.616 6.888 1.00 2.17 H new ATOM 0 HD2 TYR A 57 5.954 11.412 3.331 1.00 2.59 H new ATOM 0 HE1 TYR A 57 5.672 11.726 8.231 1.00 3.20 H new ATOM 0 HE2 TYR A 57 8.007 11.523 4.673 1.00 3.64 H new ATOM 0 HH TYR A 57 8.892 11.663 6.692 1.00 4.98 H new ATOM 899 N LEU A 58 0.779 8.891 3.506 1.00 0.55 N ATOM 900 CA LEU A 58 -0.384 8.599 2.678 1.00 0.58 C ATOM 901 C LEU A 58 -1.638 9.318 3.134 1.00 0.56 C ATOM 902 O LEU A 58 -1.920 9.457 4.325 1.00 0.72 O ATOM 903 CB LEU A 58 -0.658 7.096 2.670 1.00 0.70 C ATOM 904 CG LEU A 58 -1.061 6.520 1.318 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.988 5.002 1.345 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.461 6.956 0.928 1.00 1.85 C ATOM 0 H LEU A 58 1.016 8.155 4.171 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.142 8.957 1.677 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.236 6.578 3.017 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.449 6.883 3.389 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.361 6.902 0.575 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -1.279 4.606 0.372 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.031 4.691 1.573 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -1.664 4.619 2.109 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.719 6.528 -0.041 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -3.172 6.610 1.678 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.499 8.044 0.867 1.00 1.85 H new ATOM 918 N ALA A 59 -2.363 9.786 2.140 1.00 0.47 N ATOM 919 CA ALA A 59 -3.678 10.343 2.314 1.00 0.46 C ATOM 920 C ALA A 59 -4.571 9.862 1.169 1.00 0.46 C ATOM 921 O ALA A 59 -4.250 10.089 0.000 1.00 0.51 O ATOM 922 CB ALA A 59 -3.586 11.862 2.338 1.00 0.54 C ATOM 0 H ALA A 59 -2.044 9.788 1.171 1.00 0.47 H new ATOM 0 HA ALA A 59 -4.111 10.015 3.259 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.582 12.285 2.470 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.947 12.175 3.164 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -3.163 12.216 1.398 1.00 0.54 H new ATOM 928 N MET A 60 -5.678 9.186 1.471 1.00 0.48 N ATOM 929 CA MET A 60 -6.614 8.830 0.411 1.00 0.52 C ATOM 930 C MET A 60 -7.519 10.003 0.097 1.00 0.55 C ATOM 931 O MET A 60 -7.923 10.750 0.988 1.00 0.74 O ATOM 932 CB MET A 60 -7.473 7.625 0.789 1.00 0.66 C ATOM 933 CG MET A 60 -6.746 6.301 0.689 1.00 1.76 C ATOM 934 SD MET A 60 -7.881 4.912 0.525 1.00 2.80 S ATOM 935 CE MET A 60 -8.740 4.996 2.090 1.00 3.74 C ATOM 0 H MET A 60 -5.942 8.883 2.408 1.00 0.48 H new ATOM 0 HA MET A 60 -6.022 8.567 -0.466 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.835 7.754 1.809 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.349 7.598 0.141 1.00 0.66 H new ATOM 0 HG2 MET A 60 -6.074 6.322 -0.169 1.00 1.76 H new ATOM 0 HG3 MET A 60 -6.128 6.160 1.576 1.00 1.76 H new ATOM 0 HE1 MET A 60 -9.766 4.651 1.961 1.00 3.74 H new ATOM 0 HE2 MET A 60 -8.233 4.362 2.818 1.00 3.74 H new ATOM 0 HE3 MET A 60 -8.745 6.026 2.447 1.00 3.74 H new ATOM 945 N ASP A 61 -7.839 10.160 -1.177 1.00 0.51 N ATOM 946 CA ASP A 61 -8.557 11.332 -1.633 1.00 0.56 C ATOM 947 C ASP A 61 -9.957 10.928 -1.986 1.00 0.56 C ATOM 948 O ASP A 61 -10.211 10.324 -3.039 1.00 0.64 O ATOM 949 CB ASP A 61 -7.882 11.969 -2.830 1.00 0.71 C ATOM 950 CG ASP A 61 -8.447 13.337 -3.140 1.00 1.02 C ATOM 951 OD1 ASP A 61 -8.378 14.221 -2.263 1.00 1.58 O ATOM 952 OD2 ASP A 61 -8.980 13.532 -4.254 1.00 1.34 O ATOM 0 H ASP A 61 -7.612 9.489 -1.911 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.566 12.073 -0.833 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -6.812 12.054 -2.640 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -8.001 11.322 -3.699 1.00 0.71 H new ATOM 957 N THR A 62 -10.835 11.216 -1.056 1.00 0.65 N ATOM 958 CA THR A 62 -12.190 10.773 -1.078 1.00 0.83 C ATOM 959 C THR A 62 -12.166 9.304 -0.756 1.00 0.87 C ATOM 960 O THR A 62 -12.480 8.913 0.362 1.00 1.31 O ATOM 961 CB THR A 62 -12.879 11.037 -2.424 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.828 12.438 -2.737 1.00 1.47 O ATOM 963 CG2 THR A 62 -14.322 10.571 -2.377 1.00 1.55 C ATOM 0 H THR A 62 -10.609 11.785 -0.240 1.00 0.65 H new ATOM 0 HA THR A 62 -12.775 11.331 -0.347 1.00 0.83 H new ATOM 0 HB THR A 62 -12.354 10.479 -3.200 1.00 0.97 H new ATOM 0 HG1 THR A 62 -13.268 12.597 -3.598 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.798 10.764 -3.338 1.00 1.55 H new ATOM 0 HG22 THR A 62 -14.352 9.502 -2.165 1.00 1.55 H new ATOM 0 HG23 THR A 62 -14.853 11.111 -1.593 1.00 1.55 H new ATOM 971 N ASP A 63 -11.693 8.532 -1.722 1.00 0.78 N ATOM 972 CA ASP A 63 -11.485 7.093 -1.560 1.00 0.88 C ATOM 973 C ASP A 63 -11.218 6.432 -2.909 1.00 0.87 C ATOM 974 O ASP A 63 -11.271 5.223 -3.025 1.00 0.96 O ATOM 975 CB ASP A 63 -12.726 6.487 -0.921 1.00 1.05 C ATOM 976 CG ASP A 63 -12.453 5.275 -0.058 1.00 1.19 C ATOM 977 OD1 ASP A 63 -11.802 5.437 0.993 1.00 1.54 O ATOM 978 OD2 ASP A 63 -12.959 4.187 -0.378 1.00 1.42 O ATOM 0 H ASP A 63 -11.440 8.883 -2.646 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.617 6.924 -0.922 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -13.216 7.248 -0.314 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.426 6.208 -1.708 1.00 1.05 H new ATOM 983 N GLY A 64 -10.911 7.234 -3.929 1.00 0.82 N ATOM 984 CA GLY A 64 -10.862 6.714 -5.288 1.00 0.89 C ATOM 985 C GLY A 64 -9.450 6.551 -5.803 1.00 0.90 C ATOM 986 O GLY A 64 -9.194 5.776 -6.735 1.00 1.17 O ATOM 0 H GLY A 64 -10.697 8.227 -3.840 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.370 5.750 -5.322 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.410 7.386 -5.949 1.00 0.89 H new ATOM 990 N LEU A 65 -8.544 7.294 -5.205 1.00 0.72 N ATOM 991 CA LEU A 65 -7.134 7.237 -5.544 1.00 0.71 C ATOM 992 C LEU A 65 -6.344 7.850 -4.402 1.00 0.67 C ATOM 993 O LEU A 65 -6.748 8.866 -3.832 1.00 0.79 O ATOM 994 CB LEU A 65 -6.873 7.951 -6.881 1.00 0.74 C ATOM 995 CG LEU A 65 -5.419 7.978 -7.370 1.00 1.41 C ATOM 996 CD1 LEU A 65 -5.391 8.025 -8.891 1.00 2.03 C ATOM 997 CD2 LEU A 65 -4.667 9.175 -6.799 1.00 2.04 C ATOM 0 H LEU A 65 -8.764 7.960 -4.464 1.00 0.72 H new ATOM 0 HA LEU A 65 -6.814 6.204 -5.677 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.482 7.472 -7.648 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -7.222 8.980 -6.792 1.00 0.74 H new ATOM 0 HG LEU A 65 -4.924 7.071 -7.022 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -4.357 8.044 -9.235 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -5.891 7.143 -9.292 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -5.905 8.922 -9.237 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -3.640 9.167 -7.163 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -5.157 10.096 -7.114 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -4.666 9.119 -5.710 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.251 7.212 -4.039 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.485 7.626 -2.886 1.00 0.68 C ATOM 1011 C LEU A 66 -3.095 8.099 -3.250 1.00 0.63 C ATOM 1012 O LEU A 66 -2.382 7.512 -4.073 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.390 6.527 -1.826 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.618 5.086 -2.286 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -6.088 4.834 -2.590 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -3.722 4.717 -3.469 1.00 1.56 C ATOM 0 H LEU A 66 -4.873 6.401 -4.529 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.034 8.469 -2.465 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.402 6.583 -1.370 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -5.115 6.750 -1.043 1.00 0.90 H new ATOM 0 HG LEU A 66 -4.335 4.431 -1.462 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -6.221 3.802 -2.915 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -6.681 5.011 -1.693 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -6.417 5.508 -3.381 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -3.916 3.686 -3.764 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -3.935 5.380 -4.307 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -2.676 4.821 -3.180 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.725 9.161 -2.599 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.466 9.795 -2.823 1.00 0.63 C ATOM 1030 C TYR A 67 -0.802 9.929 -1.479 1.00 0.70 C ATOM 1031 O TYR A 67 -1.493 9.976 -0.477 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.703 11.166 -3.477 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.528 12.116 -2.630 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.915 12.039 -2.613 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.917 13.085 -1.841 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.669 12.894 -1.833 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.665 13.946 -1.061 1.00 1.16 C ATOM 1038 CZ TYR A 67 -4.040 13.845 -1.060 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.789 14.700 -0.280 1.00 1.64 O ATOM 0 H TYR A 67 -3.299 9.615 -1.888 1.00 0.62 H new ATOM 0 HA TYR A 67 -0.828 9.219 -3.493 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.739 11.628 -3.689 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.204 11.020 -4.434 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.413 11.297 -3.220 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.840 13.166 -1.838 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.746 12.817 -1.829 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.175 14.694 -0.455 1.00 1.16 H new ATOM 0 HH TYR A 67 -4.192 15.309 0.204 1.00 1.64 H new ATOM 1049 N GLY A 68 0.501 9.984 -1.415 1.00 0.66 N ATOM 1050 CA GLY A 68 1.083 10.305 -0.148 1.00 0.80 C ATOM 1051 C GLY A 68 2.498 10.761 -0.233 1.00 0.81 C ATOM 1052 O GLY A 68 3.376 10.025 -0.676 1.00 0.85 O ATOM 0 H GLY A 68 1.149 9.819 -2.185 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.488 11.085 0.327 1.00 0.80 H new ATOM 0 HA3 GLY A 68 1.032 9.428 0.497 1.00 0.80 H new ATOM 1056 N SER A 69 2.713 11.969 0.222 1.00 0.91 N ATOM 1057 CA SER A 69 4.059 12.468 0.468 1.00 1.08 C ATOM 1058 C SER A 69 4.047 13.576 1.506 1.00 1.38 C ATOM 1059 O SER A 69 4.836 13.595 2.446 1.00 1.62 O ATOM 1060 CB SER A 69 4.710 12.971 -0.822 1.00 1.08 C ATOM 1061 OG SER A 69 4.787 11.938 -1.789 1.00 1.39 O ATOM 0 H SER A 69 1.972 12.637 0.434 1.00 0.91 H new ATOM 0 HA SER A 69 4.649 11.635 0.850 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.135 13.806 -1.222 1.00 1.08 H new ATOM 0 HB3 SER A 69 5.710 13.347 -0.606 1.00 1.08 H new ATOM 0 HG SER A 69 5.383 12.214 -2.516 1.00 1.39 H new ATOM 1067 N GLN A 70 3.135 14.506 1.293 1.00 1.49 N ATOM 1068 CA GLN A 70 3.102 15.745 2.057 1.00 1.85 C ATOM 1069 C GLN A 70 2.394 15.608 3.402 1.00 1.93 C ATOM 1070 O GLN A 70 2.889 16.083 4.424 1.00 2.19 O ATOM 1071 CB GLN A 70 2.419 16.813 1.200 1.00 2.07 C ATOM 1072 CG GLN A 70 2.151 18.127 1.909 1.00 2.63 C ATOM 1073 CD GLN A 70 1.552 19.160 0.978 1.00 3.22 C ATOM 1074 OE1 GLN A 70 2.271 19.936 0.351 1.00 3.66 O ATOM 1075 NE2 GLN A 70 0.234 19.165 0.861 1.00 3.79 N ATOM 0 H GLN A 70 2.399 14.428 0.591 1.00 1.49 H new ATOM 0 HA GLN A 70 4.129 16.026 2.292 1.00 1.85 H new ATOM 0 HB2 GLN A 70 3.040 17.009 0.326 1.00 2.07 H new ATOM 0 HB3 GLN A 70 1.472 16.414 0.835 1.00 2.07 H new ATOM 0 HG2 GLN A 70 1.473 17.956 2.746 1.00 2.63 H new ATOM 0 HG3 GLN A 70 3.082 18.511 2.326 1.00 2.63 H new ATOM 0 HE21 GLN A 70 -0.328 18.505 1.398 1.00 3.79 H new ATOM 0 HE22 GLN A 70 -0.220 19.829 0.233 1.00 3.79 H new ATOM 1084 N THR A 71 1.255 14.939 3.403 1.00 1.75 N ATOM 1085 CA THR A 71 0.421 14.870 4.594 1.00 1.78 C ATOM 1086 C THR A 71 -0.017 13.441 4.896 1.00 1.56 C ATOM 1087 O THR A 71 -0.470 12.739 3.996 1.00 1.63 O ATOM 1088 CB THR A 71 -0.829 15.757 4.423 1.00 1.94 C ATOM 1089 OG1 THR A 71 -0.463 16.990 3.781 1.00 2.26 O ATOM 1090 CG2 THR A 71 -1.475 16.059 5.766 1.00 2.31 C ATOM 0 H THR A 71 0.885 14.436 2.596 1.00 1.75 H new ATOM 0 HA THR A 71 1.021 15.230 5.430 1.00 1.78 H new ATOM 0 HB THR A 71 -1.548 15.216 3.808 1.00 1.94 H new ATOM 0 HG1 THR A 71 -1.259 17.551 3.672 1.00 2.26 H new ATOM 0 HG21 THR A 71 -2.354 16.686 5.614 1.00 2.31 H new ATOM 0 HG22 THR A 71 -1.773 15.126 6.244 1.00 2.31 H new ATOM 0 HG23 THR A 71 -0.762 16.582 6.403 1.00 2.31 H new ATOM 1098 N PRO A 72 0.082 12.990 6.156 1.00 1.41 N ATOM 1099 CA PRO A 72 -0.505 11.736 6.571 1.00 1.20 C ATOM 1100 C PRO A 72 -1.634 11.935 7.590 1.00 1.04 C ATOM 1101 O PRO A 72 -1.403 12.178 8.780 1.00 1.06 O ATOM 1102 CB PRO A 72 0.687 11.095 7.272 1.00 1.31 C ATOM 1103 CG PRO A 72 1.460 12.259 7.862 1.00 1.49 C ATOM 1104 CD PRO A 72 0.909 13.529 7.231 1.00 1.53 C ATOM 0 HA PRO A 72 -0.948 11.171 5.751 1.00 1.20 H new ATOM 0 HB2 PRO A 72 0.364 10.401 8.048 1.00 1.31 H new ATOM 0 HB3 PRO A 72 1.300 10.527 6.572 1.00 1.31 H new ATOM 0 HG2 PRO A 72 1.346 12.287 8.946 1.00 1.49 H new ATOM 0 HG3 PRO A 72 2.526 12.158 7.656 1.00 1.49 H new ATOM 0 HD2 PRO A 72 0.327 14.119 7.939 1.00 1.53 H new ATOM 0 HD3 PRO A 72 1.701 14.176 6.853 1.00 1.53 H new ATOM 1112 N ASN A 73 -2.860 11.828 7.110 1.00 0.94 N ATOM 1113 CA ASN A 73 -4.035 11.931 7.965 1.00 0.86 C ATOM 1114 C ASN A 73 -4.360 10.525 8.345 1.00 0.68 C ATOM 1115 O ASN A 73 -3.737 9.598 7.786 1.00 0.71 O ATOM 1116 CB ASN A 73 -5.216 12.548 7.204 1.00 0.98 C ATOM 1117 CG ASN A 73 -4.934 13.945 6.686 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -4.213 14.722 7.310 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -5.495 14.269 5.530 1.00 2.17 N ATOM 0 H ASN A 73 -3.071 11.669 6.125 1.00 0.94 H new ATOM 0 HA ASN A 73 -3.846 12.568 8.829 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -5.475 11.903 6.365 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -6.085 12.581 7.861 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -5.335 15.192 5.126 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -6.087 13.595 5.044 1.00 2.17 H new ATOM 1126 N GLU A 74 -5.391 10.252 9.124 1.00 0.59 N ATOM 1127 CA GLU A 74 -5.769 8.912 8.954 1.00 0.47 C ATOM 1128 C GLU A 74 -6.922 8.967 8.012 1.00 0.52 C ATOM 1129 O GLU A 74 -8.098 9.107 8.331 1.00 0.64 O ATOM 1130 CB GLU A 74 -6.175 8.260 10.281 1.00 0.49 C ATOM 1131 CG GLU A 74 -5.014 7.958 11.222 1.00 1.15 C ATOM 1132 CD GLU A 74 -4.277 9.198 11.683 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -4.882 10.022 12.398 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -3.083 9.341 11.343 1.00 2.11 O ATOM 0 H GLU A 74 -5.899 10.849 9.777 1.00 0.59 H new ATOM 0 HA GLU A 74 -4.946 8.306 8.575 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -6.879 8.916 10.793 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -6.703 7.331 10.067 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -5.392 7.423 12.094 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -4.312 7.293 10.719 1.00 1.15 H new ATOM 1141 N GLU A 75 -6.443 8.781 6.821 1.00 0.49 N ATOM 1142 CA GLU A 75 -7.072 8.291 5.647 1.00 0.52 C ATOM 1143 C GLU A 75 -6.075 7.303 5.073 1.00 0.40 C ATOM 1144 O GLU A 75 -6.341 6.613 4.096 1.00 0.47 O ATOM 1145 CB GLU A 75 -7.257 9.437 4.679 1.00 0.69 C ATOM 1146 CG GLU A 75 -8.024 10.610 5.267 1.00 0.89 C ATOM 1147 CD GLU A 75 -8.032 11.819 4.362 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -6.954 12.404 4.137 1.00 2.16 O ATOM 1149 OE2 GLU A 75 -9.122 12.208 3.899 1.00 1.69 O ATOM 0 H GLU A 75 -5.465 9.003 6.633 1.00 0.49 H new ATOM 0 HA GLU A 75 -8.046 7.841 5.838 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -6.278 9.783 4.347 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -7.784 9.075 3.796 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -9.051 10.304 5.465 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -7.582 10.883 6.226 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.839 7.407 5.620 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.744 6.539 5.256 1.00 0.47 C ATOM 1158 C CYS A 76 -4.051 5.076 5.582 1.00 0.40 C ATOM 1159 O CYS A 76 -3.520 4.166 4.953 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.484 6.973 6.013 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.031 5.955 5.685 1.00 1.40 S ATOM 0 H CYS A 76 -4.596 8.103 6.325 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.590 6.620 4.180 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -2.255 8.006 5.752 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -2.693 6.953 7.083 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.212 6.031 6.691 1.00 1.40 H new ATOM 1167 N LEU A 77 -4.922 4.857 6.561 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.132 3.530 7.108 1.00 0.46 C ATOM 1169 C LEU A 77 -6.132 2.734 6.292 1.00 0.39 C ATOM 1170 O LEU A 77 -7.105 3.271 5.740 1.00 0.40 O ATOM 1171 CB LEU A 77 -5.551 3.588 8.589 1.00 0.66 C ATOM 1172 CG LEU A 77 -6.438 4.766 9.021 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -7.795 4.736 8.333 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -6.613 4.750 10.533 1.00 1.59 C ATOM 0 H LEU A 77 -5.493 5.585 6.990 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.176 3.010 7.052 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -6.077 2.664 8.828 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -4.646 3.606 9.196 1.00 0.66 H new ATOM 0 HG LEU A 77 -5.941 5.688 8.720 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -8.391 5.586 8.666 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -7.657 4.791 7.253 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -8.311 3.810 8.586 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -7.243 5.587 10.835 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -7.084 3.814 10.835 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -5.638 4.837 11.013 1.00 1.59 H new ATOM 1186 N PHE A 78 -5.875 1.445 6.213 1.00 0.39 N ATOM 1187 CA PHE A 78 -6.691 0.553 5.451 1.00 0.39 C ATOM 1188 C PHE A 78 -7.077 -0.650 6.303 1.00 0.36 C ATOM 1189 O PHE A 78 -6.441 -0.924 7.323 1.00 0.41 O ATOM 1190 CB PHE A 78 -5.916 0.093 4.220 1.00 0.53 C ATOM 1191 CG PHE A 78 -5.405 1.227 3.382 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -6.284 2.081 2.735 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.049 1.429 3.229 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -5.812 3.116 1.948 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -3.575 2.456 2.441 1.00 0.78 C ATOM 1196 CZ PHE A 78 -4.467 3.354 1.864 1.00 0.84 C ATOM 0 H PHE A 78 -5.089 0.995 6.681 1.00 0.39 H new ATOM 0 HA PHE A 78 -7.600 1.067 5.137 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.074 -0.522 4.538 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -6.560 -0.539 3.609 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -7.349 1.937 2.846 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -3.351 0.776 3.732 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -6.505 3.737 1.400 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -2.514 2.563 2.272 1.00 0.78 H new ATOM 0 HZ PHE A 78 -4.101 4.232 1.354 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.117 -1.360 5.898 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.511 -2.581 6.586 1.00 0.37 C ATOM 1208 C LEU A 79 -7.861 -3.765 5.890 1.00 0.35 C ATOM 1209 O LEU A 79 -7.952 -3.900 4.668 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.033 -2.737 6.592 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.575 -3.914 7.409 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -10.339 -3.687 8.894 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -12.057 -4.116 7.131 1.00 1.09 C ATOM 0 H LEU A 79 -8.702 -1.114 5.100 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.179 -2.533 7.623 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.473 -1.817 6.978 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.373 -2.846 5.562 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.041 -4.816 7.110 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -10.731 -4.533 9.458 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -9.270 -3.589 9.082 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -10.847 -2.775 9.208 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -12.426 -4.956 7.719 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -12.605 -3.214 7.403 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -12.203 -4.323 6.071 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.212 -4.612 6.663 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.417 -5.701 6.109 1.00 0.42 C ATOM 1227 C GLU A 80 -7.163 -7.029 6.154 1.00 0.40 C ATOM 1228 O GLU A 80 -7.500 -7.528 7.228 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.098 -5.828 6.875 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.243 -6.998 6.419 1.00 0.97 C ATOM 1231 CD GLU A 80 -2.920 -7.084 7.148 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -2.908 -7.521 8.317 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -1.881 -6.734 6.545 1.00 2.07 O ATOM 0 H GLU A 80 -7.217 -4.571 7.682 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.218 -5.463 5.064 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -4.529 -4.905 6.759 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.313 -5.938 7.938 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.796 -7.925 6.570 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -4.057 -6.909 5.349 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.433 -7.588 4.983 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.005 -8.912 4.893 1.00 0.39 C ATOM 1242 C ARG A 81 -7.183 -9.714 3.904 1.00 0.48 C ATOM 1243 O ARG A 81 -7.306 -9.528 2.702 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.462 -8.862 4.438 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.207 -10.165 4.682 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.497 -10.241 3.883 1.00 1.34 C ATOM 1247 NE ARG A 81 -11.242 -10.418 2.453 1.00 2.05 N ATOM 1248 CZ ARG A 81 -11.514 -11.538 1.782 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -12.103 -12.558 2.398 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -11.204 -11.634 0.493 1.00 3.75 N ATOM 0 H ARG A 81 -7.262 -7.139 4.083 1.00 0.38 H new ATOM 0 HA ARG A 81 -7.987 -9.378 5.878 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -9.973 -8.054 4.962 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -9.497 -8.624 3.375 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -9.565 -11.005 4.415 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.432 -10.260 5.744 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -12.103 -11.070 4.249 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -12.075 -9.330 4.039 1.00 1.34 H new ATOM 0 HE ARG A 81 -10.832 -9.638 1.939 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -12.348 -12.485 3.386 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -12.310 -13.414 1.883 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -10.758 -10.851 0.016 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -11.412 -12.491 -0.019 1.00 3.75 H new ATOM 1264 N LEU A 82 -6.373 -10.612 4.397 1.00 0.60 N ATOM 1265 CA LEU A 82 -5.476 -11.367 3.545 1.00 0.82 C ATOM 1266 C LEU A 82 -6.037 -12.751 3.288 1.00 0.66 C ATOM 1267 O LEU A 82 -6.027 -13.605 4.175 1.00 0.84 O ATOM 1268 CB LEU A 82 -4.080 -11.470 4.181 1.00 1.25 C ATOM 1269 CG LEU A 82 -4.049 -11.875 5.659 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -2.818 -12.719 5.947 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -4.059 -10.644 6.556 1.00 1.65 C ATOM 0 H LEU A 82 -6.311 -10.844 5.388 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.383 -10.842 2.594 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -3.495 -12.194 3.613 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -3.582 -10.506 4.077 1.00 1.25 H new ATOM 0 HG LEU A 82 -4.941 -12.464 5.871 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -2.808 -13.000 7.000 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -2.841 -13.618 5.332 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -1.921 -12.145 5.716 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -4.037 -10.955 7.601 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.184 -10.030 6.341 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.963 -10.065 6.369 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.555 -12.984 2.090 1.00 0.76 N ATOM 1284 CA GLU A 83 -7.084 -14.301 1.808 1.00 0.82 C ATOM 1285 C GLU A 83 -6.258 -15.011 0.745 1.00 1.29 C ATOM 1286 O GLU A 83 -6.437 -14.799 -0.449 1.00 2.03 O ATOM 1287 CB GLU A 83 -8.537 -14.178 1.334 1.00 1.39 C ATOM 1288 CG GLU A 83 -9.204 -15.508 1.024 1.00 1.89 C ATOM 1289 CD GLU A 83 -9.433 -16.351 2.257 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -8.479 -17.013 2.711 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -10.564 -16.356 2.783 1.00 2.48 O ATOM 0 H GLU A 83 -6.618 -12.307 1.330 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.040 -14.891 2.723 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -9.116 -13.664 2.101 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -8.565 -13.553 0.441 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -10.160 -15.324 0.533 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -8.585 -16.064 0.319 1.00 1.89 H new ATOM 1298 N GLU A 84 -5.363 -15.849 1.208 1.00 1.26 N ATOM 1299 CA GLU A 84 -4.855 -16.998 0.487 1.00 1.78 C ATOM 1300 C GLU A 84 -4.467 -17.955 1.581 1.00 1.46 C ATOM 1301 O GLU A 84 -5.154 -18.061 2.582 1.00 1.49 O ATOM 1302 CB GLU A 84 -3.656 -16.655 -0.406 1.00 2.65 C ATOM 1303 CG GLU A 84 -3.561 -17.496 -1.683 1.00 3.44 C ATOM 1304 CD GLU A 84 -3.449 -18.984 -1.422 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -2.384 -19.436 -0.956 1.00 4.35 O ATOM 1306 OE2 GLU A 84 -4.422 -19.712 -1.706 1.00 3.98 O ATOM 0 H GLU A 84 -4.950 -15.748 2.135 1.00 1.26 H new ATOM 0 HA GLU A 84 -5.594 -17.406 -0.202 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -3.712 -15.602 -0.682 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -2.740 -16.785 0.170 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -4.441 -17.309 -2.298 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -2.695 -17.170 -2.259 1.00 3.44 H new ATOM 1313 N ASN A 85 -3.313 -18.553 1.461 1.00 1.98 N ATOM 1314 CA ASN A 85 -2.655 -19.084 2.624 1.00 2.36 C ATOM 1315 C ASN A 85 -1.661 -18.055 3.117 1.00 1.83 C ATOM 1316 O ASN A 85 -0.692 -18.388 3.799 1.00 2.36 O ATOM 1317 CB ASN A 85 -2.003 -20.431 2.333 1.00 3.24 C ATOM 1318 CG ASN A 85 -3.042 -21.516 2.134 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -3.452 -22.179 3.087 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -3.488 -21.694 0.901 1.00 4.33 N ATOM 0 H ASN A 85 -2.814 -18.684 0.581 1.00 1.98 H new ATOM 0 HA ASN A 85 -3.386 -19.277 3.409 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -1.382 -20.351 1.441 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -1.343 -20.703 3.157 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -4.198 -22.402 0.713 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -3.122 -21.123 0.139 1.00 4.33 H new ATOM 1327 N HIS A 86 -1.967 -16.792 2.743 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.245 -15.575 3.212 1.00 1.29 C ATOM 1329 C HIS A 86 -1.223 -14.387 2.209 1.00 1.07 C ATOM 1330 O HIS A 86 -0.543 -13.402 2.493 1.00 1.43 O ATOM 1331 CB HIS A 86 0.210 -15.853 3.652 1.00 2.00 C ATOM 1332 CG HIS A 86 1.203 -16.040 2.540 1.00 2.54 C ATOM 1333 ND1 HIS A 86 2.016 -15.027 2.086 1.00 3.33 N ATOM 1334 CD2 HIS A 86 1.540 -17.136 1.820 1.00 3.02 C ATOM 1335 CE1 HIS A 86 2.807 -15.488 1.139 1.00 3.99 C ATOM 1336 NE2 HIS A 86 2.543 -16.766 0.957 1.00 3.81 N ATOM 0 H HIS A 86 -2.730 -16.581 2.100 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.846 -15.279 4.072 1.00 1.29 H new ATOM 0 HB2 HIS A 86 0.545 -15.026 4.278 1.00 2.00 H new ATOM 0 HB3 HIS A 86 0.217 -16.748 4.275 1.00 2.00 H new ATOM 0 HD2 HIS A 86 1.102 -18.119 1.908 1.00 3.02 H new ATOM 0 HE1 HIS A 86 3.548 -14.915 0.602 1.00 3.99 H new ATOM 0 HE2 HIS A 86 3.007 -17.379 0.286 1.00 3.81 H new ATOM 1345 N TYR A 87 -1.917 -14.423 1.057 1.00 0.63 N ATOM 1346 CA TYR A 87 -1.888 -13.226 0.187 1.00 0.49 C ATOM 1347 C TYR A 87 -2.862 -12.188 0.713 1.00 0.46 C ATOM 1348 O TYR A 87 -3.973 -12.513 1.138 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.091 -13.515 -1.332 1.00 0.61 C ATOM 1350 CG TYR A 87 -3.489 -13.319 -1.933 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -4.136 -12.083 -1.916 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -4.135 -14.369 -2.571 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -5.377 -11.910 -2.500 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -5.378 -14.205 -3.155 1.00 2.16 C ATOM 1355 CZ TYR A 87 -5.996 -12.976 -3.116 1.00 2.70 C ATOM 1356 OH TYR A 87 -7.235 -12.810 -3.702 1.00 3.60 O ATOM 0 H TYR A 87 -2.471 -15.210 0.719 1.00 0.63 H new ATOM 0 HA TYR A 87 -0.874 -12.829 0.238 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -1.400 -12.880 -1.886 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -1.792 -14.547 -1.516 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -3.657 -11.243 -1.436 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.656 -15.336 -2.612 1.00 1.38 H new ATOM 0 HE1 TYR A 87 -5.859 -10.944 -2.474 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -5.862 -15.039 -3.640 1.00 2.16 H new ATOM 0 HH TYR A 87 -7.529 -13.660 -4.092 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.445 -10.936 0.660 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.117 -9.878 1.387 1.00 0.38 C ATOM 1368 C ASN A 88 -4.040 -9.092 0.483 1.00 0.34 C ATOM 1369 O ASN A 88 -3.767 -8.900 -0.700 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.083 -8.943 2.005 1.00 0.43 C ATOM 1371 CG ASN A 88 -2.547 -8.352 3.321 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -3.736 -8.146 3.537 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -1.604 -8.092 4.211 1.00 1.60 N ATOM 0 H ASN A 88 -1.639 -10.627 0.117 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.719 -10.334 2.173 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.153 -9.489 2.164 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -1.864 -8.136 1.306 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -1.854 -7.704 5.121 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -0.627 -8.280 3.988 1.00 1.60 H new ATOM 1380 N THR A 89 -5.147 -8.682 1.048 1.00 0.36 N ATOM 1381 CA THR A 89 -6.071 -7.806 0.381 1.00 0.37 C ATOM 1382 C THR A 89 -6.320 -6.617 1.291 1.00 0.37 C ATOM 1383 O THR A 89 -6.086 -6.708 2.493 1.00 0.40 O ATOM 1384 CB THR A 89 -7.390 -8.530 0.068 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.110 -9.799 -0.543 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.251 -7.706 -0.870 1.00 0.49 C ATOM 0 H THR A 89 -5.433 -8.949 1.990 1.00 0.36 H new ATOM 0 HA THR A 89 -5.651 -7.477 -0.570 1.00 0.37 H new ATOM 0 HB THR A 89 -7.930 -8.675 1.003 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.952 -10.260 -0.740 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.179 -8.240 -1.076 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.480 -6.747 -0.406 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.714 -7.538 -1.804 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.769 -5.508 0.749 1.00 0.40 N ATOM 1395 CA TYR A 90 -6.983 -4.331 1.571 1.00 0.42 C ATOM 1396 C TYR A 90 -8.276 -3.610 1.211 1.00 0.38 C ATOM 1397 O TYR A 90 -8.728 -3.637 0.069 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.785 -3.383 1.464 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.566 -3.851 2.229 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.506 -3.767 3.615 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.472 -4.375 1.558 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.386 -4.191 4.308 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.352 -4.801 2.243 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.340 -4.715 3.657 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.190 -5.135 4.293 1.00 0.87 O ATOM 0 H TYR A 90 -6.991 -5.392 -0.240 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.079 -4.664 2.604 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.520 -3.265 0.413 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.078 -2.400 1.832 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.347 -3.364 4.160 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.496 -4.451 0.481 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.355 -4.098 5.384 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.499 -5.193 1.710 1.00 0.85 H new ATOM 0 HH TYR A 90 -1.427 -5.698 5.060 1.00 0.87 H new ATOM 1415 N ILE A 91 -8.876 -2.993 2.216 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.074 -2.185 2.039 1.00 0.35 C ATOM 1417 C ILE A 91 -9.741 -0.724 2.305 1.00 0.36 C ATOM 1418 O ILE A 91 -8.816 -0.424 3.066 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.228 -2.665 2.971 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.445 -3.058 2.143 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -11.624 -1.601 3.988 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.195 -4.209 1.194 1.00 1.55 C ATOM 0 H ILE A 91 -8.546 -3.038 3.180 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.420 -2.297 1.012 1.00 0.35 H new ATOM 0 HB ILE A 91 -10.859 -3.531 3.520 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.259 -3.325 2.816 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -12.777 -2.193 1.569 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.431 -1.980 4.615 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -10.764 -1.356 4.612 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -11.960 -0.706 3.465 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -13.108 -4.429 0.641 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -11.403 -3.939 0.495 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -11.893 -5.089 1.761 1.00 1.55 H new ATOM 1434 N SER A 92 -10.489 0.178 1.695 1.00 0.36 N ATOM 1435 CA SER A 92 -10.260 1.593 1.879 1.00 0.40 C ATOM 1436 C SER A 92 -11.044 2.050 3.088 1.00 0.43 C ATOM 1437 O SER A 92 -12.246 2.277 3.021 1.00 0.53 O ATOM 1438 CB SER A 92 -10.690 2.347 0.625 1.00 0.47 C ATOM 1439 OG SER A 92 -11.914 1.840 0.127 1.00 1.33 O ATOM 0 H SER A 92 -11.261 -0.048 1.068 1.00 0.36 H new ATOM 0 HA SER A 92 -9.202 1.794 2.044 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.796 3.408 0.852 1.00 0.47 H new ATOM 0 HB3 SER A 92 -9.918 2.260 -0.139 1.00 0.47 H new ATOM 0 HG SER A 92 -12.581 2.558 0.105 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.351 2.153 4.218 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.025 2.352 5.488 1.00 0.54 C ATOM 1447 C LYS A 93 -11.580 3.771 5.601 1.00 0.57 C ATOM 1448 O LYS A 93 -12.375 4.056 6.495 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.045 2.087 6.634 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.702 1.546 7.888 1.00 0.84 C ATOM 1451 CD LYS A 93 -9.916 1.915 9.139 1.00 1.27 C ATOM 1452 CE LYS A 93 -10.599 1.397 10.394 1.00 1.20 C ATOM 1453 NZ LYS A 93 -9.990 1.945 11.637 1.00 1.58 N ATOM 0 H LYS A 93 -9.334 2.102 4.277 1.00 0.44 H new ATOM 0 HA LYS A 93 -11.861 1.655 5.547 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.289 1.378 6.296 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -9.526 3.014 6.878 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -11.716 1.939 7.966 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -10.785 0.461 7.817 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -8.909 1.502 9.074 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -9.813 2.998 9.200 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -11.656 1.660 10.364 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -10.541 0.309 10.413 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -10.345 1.417 12.460 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -8.955 1.852 11.587 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -10.243 2.949 11.734 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.248 4.620 4.635 1.00 0.52 N ATOM 1468 CA LYS A 94 -11.850 5.945 4.556 1.00 0.67 C ATOM 1469 C LYS A 94 -13.324 5.774 4.250 1.00 0.79 C ATOM 1470 O LYS A 94 -14.177 6.026 5.101 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.158 6.834 3.498 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.865 8.151 3.218 1.00 1.21 C ATOM 1473 CD LYS A 94 -11.451 9.255 4.171 1.00 1.56 C ATOM 1474 CE LYS A 94 -12.123 10.564 3.789 1.00 2.00 C ATOM 1475 NZ LYS A 94 -11.616 11.717 4.577 1.00 2.32 N ATOM 0 H LYS A 94 -10.570 4.416 3.901 1.00 0.52 H new ATOM 0 HA LYS A 94 -11.722 6.457 5.510 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.141 7.046 3.829 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.080 6.273 2.566 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -11.652 8.462 2.195 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.942 8.002 3.288 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -11.722 8.984 5.191 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -10.368 9.375 4.150 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -11.962 10.755 2.728 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -13.199 10.473 3.937 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -12.335 12.468 4.595 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -11.412 11.410 5.549 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -10.746 12.081 4.139 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.636 5.347 3.040 1.00 0.76 N ATOM 1490 CA HIS A 95 -14.999 4.956 2.730 1.00 0.96 C ATOM 1491 C HIS A 95 -15.219 3.460 2.862 1.00 1.01 C ATOM 1492 O HIS A 95 -15.849 2.845 1.999 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.444 5.455 1.359 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.728 6.916 1.351 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -14.740 7.859 1.266 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.892 7.599 1.456 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.273 9.058 1.328 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -16.578 8.934 1.440 1.00 2.32 N ATOM 0 H HIS A 95 -12.976 5.263 2.267 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.626 5.442 3.477 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.668 5.235 0.626 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.338 4.912 1.050 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -13.744 7.661 1.169 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -17.881 7.173 1.537 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.730 9.991 1.293 1.00 2.27 H new ATOM 1507 N ALA A 96 -14.730 2.877 3.954 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.006 1.471 4.243 1.00 1.02 C ATOM 1509 C ALA A 96 -16.512 1.252 4.302 1.00 1.03 C ATOM 1510 O ALA A 96 -17.029 0.188 3.961 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.353 1.055 5.554 1.00 1.18 C ATOM 0 H ALA A 96 -14.148 3.349 4.646 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.586 0.854 3.448 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.570 0.005 5.752 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.274 1.196 5.484 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -14.746 1.666 6.366 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.205 2.309 4.704 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.651 2.317 4.808 1.00 1.16 C ATOM 1519 C GLU A 97 -19.319 2.076 3.449 1.00 1.07 C ATOM 1520 O GLU A 97 -20.450 1.599 3.388 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.099 3.661 5.383 1.00 1.30 C ATOM 1522 CG GLU A 97 -20.545 3.694 5.838 1.00 2.04 C ATOM 1523 CD GLU A 97 -20.830 2.686 6.927 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -20.015 2.575 7.867 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -21.874 2.005 6.853 1.00 3.42 O ATOM 0 H GLU A 97 -16.770 3.193 4.969 1.00 1.07 H new ATOM 0 HA GLU A 97 -18.956 1.505 5.468 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -18.459 3.913 6.228 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -18.950 4.434 4.629 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -20.786 4.693 6.200 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -21.196 3.498 4.986 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.623 2.393 2.360 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.216 2.262 1.033 1.00 0.88 C ATOM 1534 C LYS A 98 -18.878 0.904 0.412 1.00 0.83 C ATOM 1535 O LYS A 98 -19.320 0.600 -0.696 1.00 0.83 O ATOM 1536 CB LYS A 98 -18.711 3.388 0.123 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.501 3.540 -1.170 1.00 1.41 C ATOM 1538 CD LYS A 98 -18.818 4.495 -2.138 1.00 1.98 C ATOM 1539 CE LYS A 98 -18.656 5.888 -1.553 1.00 2.14 C ATOM 1540 NZ LYS A 98 -19.963 6.545 -1.301 1.00 2.65 N ATOM 0 H LYS A 98 -17.663 2.737 2.369 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.299 2.333 1.135 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.748 4.329 0.672 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -17.665 3.202 -0.122 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.617 2.565 -1.642 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -20.503 3.906 -0.944 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -17.838 4.099 -2.406 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -19.400 4.555 -3.058 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -18.097 5.826 -0.620 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -18.069 6.501 -2.236 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -19.805 7.528 -0.999 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -20.529 6.538 -2.173 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -20.472 6.031 -0.554 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.073 0.108 1.124 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.761 -1.270 0.720 1.00 0.84 C ATOM 1556 C ASN A 99 -16.705 -1.278 -0.390 1.00 0.68 C ATOM 1557 O ASN A 99 -16.545 -2.263 -1.110 1.00 0.74 O ATOM 1558 CB ASN A 99 -19.027 -2.038 0.294 1.00 1.01 C ATOM 1559 CG ASN A 99 -18.831 -3.548 0.217 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -18.958 -4.252 1.220 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -18.552 -4.060 -0.973 1.00 2.00 N ATOM 0 H ASN A 99 -17.621 0.397 1.992 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.350 -1.788 1.586 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.828 -1.820 1.000 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -19.352 -1.673 -0.680 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -18.435 -5.068 -1.080 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -18.454 -3.446 -1.782 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.982 -0.176 -0.534 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.948 -0.090 -1.548 1.00 0.44 C ATOM 1570 C TRP A 100 -13.726 -0.897 -1.144 1.00 0.41 C ATOM 1571 O TRP A 100 -13.386 -0.993 0.036 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.557 1.365 -1.794 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.399 2.063 -2.824 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.516 1.592 -3.455 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.168 3.369 -3.347 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -16.989 2.537 -4.338 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.174 3.638 -4.287 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.203 4.336 -3.103 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.235 4.846 -4.984 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.261 5.531 -3.790 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.266 5.779 -4.720 1.00 1.01 C ATOM 0 H TRP A 100 -16.093 0.663 0.035 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.348 -0.507 -2.472 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.626 1.912 -0.854 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.514 1.401 -2.108 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -16.962 0.623 -3.286 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -17.811 2.434 -4.933 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.417 4.155 -2.385 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.016 5.038 -5.704 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.513 6.287 -3.603 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -15.283 6.724 -5.243 1.00 1.01 H new ATOM 1592 N PHE A 101 -13.076 -1.484 -2.132 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.875 -2.255 -1.899 1.00 0.51 C ATOM 1594 C PHE A 101 -10.700 -1.348 -2.162 1.00 0.55 C ATOM 1595 O PHE A 101 -10.772 -0.503 -3.044 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.779 -3.459 -2.845 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.935 -4.421 -2.801 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -14.196 -4.042 -3.234 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.743 -5.726 -2.376 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -15.242 -4.941 -3.239 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.789 -6.627 -2.371 1.00 0.79 C ATOM 1602 CZ PHE A 101 -15.038 -6.236 -2.809 1.00 0.77 C ATOM 0 H PHE A 101 -13.365 -1.439 -3.109 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.887 -2.631 -0.876 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.678 -3.088 -3.865 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.866 -4.007 -2.613 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -14.362 -3.030 -3.572 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.765 -6.042 -2.045 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -16.219 -4.632 -3.579 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -13.630 -7.637 -2.024 1.00 0.79 H new ATOM 0 HZ PHE A 101 -15.855 -6.943 -2.815 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.629 -1.490 -1.421 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.469 -0.694 -1.719 1.00 0.55 C ATOM 1614 C VAL A 102 -7.417 -1.577 -2.394 1.00 0.50 C ATOM 1615 O VAL A 102 -6.935 -2.558 -1.831 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.937 0.047 -0.454 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -6.664 -0.557 0.110 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -7.743 1.526 -0.744 1.00 1.27 C ATOM 0 H VAL A 102 -9.537 -2.129 -0.631 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.737 0.099 -2.417 1.00 0.55 H new ATOM 0 HB VAL A 102 -8.700 -0.075 0.315 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -6.351 0.008 0.988 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -6.847 -1.594 0.392 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -5.878 -0.520 -0.645 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -7.371 2.026 0.150 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -7.023 1.647 -1.553 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -8.696 1.967 -1.037 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.143 -1.266 -3.649 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.120 -1.967 -4.396 1.00 0.61 C ATOM 1630 C GLY A 103 -5.250 -1.033 -5.185 1.00 0.54 C ATOM 1631 O GLY A 103 -5.709 -0.178 -5.951 1.00 0.66 O ATOM 0 H GLY A 103 -7.618 -0.530 -4.171 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.501 -2.542 -3.708 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.591 -2.680 -5.073 1.00 0.61 H new ATOM 1635 N LEU A 104 -3.994 -1.217 -5.049 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.073 -0.278 -5.628 1.00 0.50 C ATOM 1637 C LEU A 104 -2.368 -0.901 -6.794 1.00 0.59 C ATOM 1638 O LEU A 104 -2.004 -2.073 -6.759 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.082 0.274 -4.599 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.487 -0.692 -3.569 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -0.728 -1.827 -4.228 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.561 0.073 -2.648 1.00 1.27 C ATOM 0 H LEU A 104 -3.567 -1.997 -4.549 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.648 0.576 -5.985 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.255 0.728 -5.145 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.581 1.075 -4.053 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.309 -1.131 -3.003 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.323 -2.487 -3.461 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.403 -2.390 -4.873 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.089 -1.420 -4.825 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.134 -0.609 -1.913 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.241 0.525 -3.232 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.122 0.855 -2.135 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.199 -0.159 -7.858 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.505 -0.750 -8.968 1.00 0.54 C ATOM 1656 C LYS A 105 -0.056 -0.347 -8.885 1.00 0.49 C ATOM 1657 O LYS A 105 0.354 0.650 -9.420 1.00 0.55 O ATOM 1658 CB LYS A 105 -2.177 -0.272 -10.259 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.851 -1.066 -11.508 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.224 -0.172 -12.557 1.00 1.55 C ATOM 1661 CE LYS A 105 -1.661 -0.535 -13.971 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.200 -1.884 -14.385 1.00 2.09 N ATOM 0 H LYS A 105 -2.513 0.804 -7.978 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.549 -1.839 -8.952 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -3.257 -0.290 -10.112 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.896 0.767 -10.429 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.169 -1.880 -11.261 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -2.759 -1.520 -11.905 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -1.491 0.865 -12.353 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -0.138 -0.241 -12.487 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -2.748 -0.492 -14.033 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -1.273 0.207 -14.669 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.553 -2.093 -15.341 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -0.160 -1.910 -14.386 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -1.563 -2.595 -13.718 1.00 2.09 H new ATOM 1676 N LYS A 106 0.747 -1.216 -8.322 1.00 0.46 N ATOM 1677 CA LYS A 106 2.143 -0.893 -8.131 1.00 0.44 C ATOM 1678 C LYS A 106 2.873 -1.094 -9.422 1.00 0.44 C ATOM 1679 O LYS A 106 3.927 -0.530 -9.649 1.00 0.46 O ATOM 1680 CB LYS A 106 2.780 -1.726 -7.015 1.00 0.51 C ATOM 1681 CG LYS A 106 2.991 -3.192 -7.349 1.00 0.81 C ATOM 1682 CD LYS A 106 4.293 -3.431 -8.083 1.00 1.11 C ATOM 1683 CE LYS A 106 4.409 -4.836 -8.674 1.00 1.02 C ATOM 1684 NZ LYS A 106 3.454 -5.061 -9.791 1.00 1.57 N ATOM 0 H LYS A 106 0.466 -2.139 -7.992 1.00 0.46 H new ATOM 0 HA LYS A 106 2.215 0.150 -7.823 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.743 -1.285 -6.758 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.151 -1.658 -6.127 1.00 0.51 H new ATOM 0 HG2 LYS A 106 2.982 -3.777 -6.429 1.00 0.81 H new ATOM 0 HG3 LYS A 106 2.161 -3.546 -7.960 1.00 0.81 H new ATOM 0 HD2 LYS A 106 4.389 -2.699 -8.885 1.00 1.11 H new ATOM 0 HD3 LYS A 106 5.124 -3.264 -7.397 1.00 1.11 H new ATOM 0 HE2 LYS A 106 5.426 -4.994 -9.032 1.00 1.02 H new ATOM 0 HE3 LYS A 106 4.229 -5.573 -7.891 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 3.671 -5.965 -10.257 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 2.484 -5.088 -9.418 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.538 -4.287 -10.481 1.00 1.57 H new ATOM 1698 N ASN A 107 2.339 -1.936 -10.278 1.00 0.50 N ATOM 1699 CA ASN A 107 2.967 -2.090 -11.562 1.00 0.56 C ATOM 1700 C ASN A 107 2.722 -0.853 -12.420 1.00 0.60 C ATOM 1701 O ASN A 107 3.313 -0.699 -13.486 1.00 0.70 O ATOM 1702 CB ASN A 107 2.468 -3.361 -12.262 1.00 0.67 C ATOM 1703 CG ASN A 107 0.956 -3.515 -12.304 1.00 1.47 C ATOM 1704 OD1 ASN A 107 0.255 -3.124 -11.376 1.00 2.40 O ATOM 1705 ND2 ASN A 107 0.444 -4.105 -13.374 1.00 1.84 N ATOM 0 H ASN A 107 1.506 -2.502 -10.116 1.00 0.50 H new ATOM 0 HA ASN A 107 4.042 -2.195 -11.416 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.848 -3.369 -13.283 1.00 0.67 H new ATOM 0 HB3 ASN A 107 2.893 -4.228 -11.756 1.00 0.67 H new ATOM 0 HD21 ASN A 107 -0.564 -4.247 -13.445 1.00 1.84 H new ATOM 0 HD22 ASN A 107 1.057 -4.417 -14.127 1.00 1.84 H new ATOM 1712 N GLY A 108 1.840 0.023 -11.941 1.00 0.56 N ATOM 1713 CA GLY A 108 1.711 1.353 -12.496 1.00 0.65 C ATOM 1714 C GLY A 108 1.886 2.416 -11.433 1.00 0.60 C ATOM 1715 O GLY A 108 2.987 2.851 -11.092 1.00 0.71 O ATOM 0 H GLY A 108 1.206 -0.173 -11.167 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.455 1.495 -13.280 1.00 0.65 H new ATOM 0 HA3 GLY A 108 0.732 1.461 -12.962 1.00 0.65 H new ATOM 1719 N SER A 109 0.749 2.676 -10.818 1.00 0.53 N ATOM 1720 CA SER A 109 0.522 3.752 -9.885 1.00 0.64 C ATOM 1721 C SER A 109 -0.656 3.316 -9.020 1.00 0.54 C ATOM 1722 O SER A 109 -1.536 2.580 -9.486 1.00 0.54 O ATOM 1723 CB SER A 109 0.204 5.047 -10.637 1.00 0.93 C ATOM 1724 OG SER A 109 -0.865 4.860 -11.552 1.00 1.50 O ATOM 0 H SER A 109 -0.085 2.108 -10.967 1.00 0.53 H new ATOM 0 HA SER A 109 1.402 3.951 -9.274 1.00 0.64 H new ATOM 0 HB2 SER A 109 -0.056 5.830 -9.925 1.00 0.93 H new ATOM 0 HB3 SER A 109 1.090 5.386 -11.173 1.00 0.93 H new ATOM 0 HG SER A 109 -1.048 5.703 -12.017 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.699 3.708 -7.776 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.705 3.154 -6.912 1.00 0.82 C ATOM 1732 C CYS A 110 -2.980 3.990 -6.916 1.00 0.66 C ATOM 1733 O CYS A 110 -3.008 5.084 -6.401 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.099 3.108 -5.531 1.00 1.35 C ATOM 1735 SG CYS A 110 0.440 2.167 -5.460 1.00 2.32 S ATOM 0 H CYS A 110 -0.071 4.388 -7.347 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.997 2.161 -7.254 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.911 4.126 -5.190 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.818 2.668 -4.840 1.00 1.35 H new ATOM 0 HG CYS A 110 1.448 2.987 -5.423 1.00 2.32 H new ATOM 1741 N LYS A 111 -4.033 3.444 -7.513 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.336 4.081 -7.550 1.00 1.00 C ATOM 1743 C LYS A 111 -6.352 3.124 -6.959 1.00 0.75 C ATOM 1744 O LYS A 111 -6.566 2.054 -7.531 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.717 4.502 -8.986 1.00 2.13 C ATOM 1746 CG LYS A 111 -5.806 3.370 -10.019 1.00 2.53 C ATOM 1747 CD LYS A 111 -4.440 2.809 -10.410 1.00 2.18 C ATOM 1748 CE LYS A 111 -4.526 1.966 -11.674 1.00 3.01 C ATOM 1749 NZ LYS A 111 -5.605 0.942 -11.594 1.00 3.59 N ATOM 0 H LYS A 111 -4.002 2.541 -7.987 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.314 4.997 -6.959 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.680 5.011 -8.950 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -4.985 5.230 -9.336 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -6.421 2.565 -9.616 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -6.310 3.740 -10.912 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -3.739 3.629 -10.565 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -4.046 2.204 -9.593 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -4.706 2.616 -12.531 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -3.570 1.471 -11.845 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -5.325 0.100 -12.136 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -5.761 0.678 -10.600 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -6.484 1.332 -11.990 1.00 3.59 H new ATOM 1763 N ARG A 112 -6.970 3.432 -5.835 1.00 0.95 N ATOM 1764 CA ARG A 112 -7.931 2.477 -5.317 1.00 1.36 C ATOM 1765 C ARG A 112 -9.214 3.130 -4.809 1.00 1.14 C ATOM 1766 O ARG A 112 -9.348 3.359 -3.615 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.267 1.700 -4.170 1.00 2.63 C ATOM 1768 CG ARG A 112 -5.761 1.963 -4.020 1.00 3.07 C ATOM 1769 CD ARG A 112 -5.178 1.268 -2.794 1.00 4.09 C ATOM 1770 NE ARG A 112 -3.884 1.833 -2.403 1.00 4.81 N ATOM 1771 CZ ARG A 112 -3.309 1.646 -1.213 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -3.845 0.803 -0.338 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -2.183 2.286 -0.907 1.00 6.59 N ATOM 0 H ARG A 112 -6.837 4.284 -5.289 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.220 1.819 -6.136 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.764 1.959 -3.235 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -7.424 0.633 -4.330 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.242 1.617 -4.914 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -5.586 3.036 -3.945 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -5.877 1.355 -1.962 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -5.061 0.205 -3.002 1.00 4.09 H new ATOM 0 HE ARG A 112 -3.390 2.407 -3.086 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -4.698 0.296 -0.575 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -3.403 0.662 0.571 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -1.758 2.921 -1.582 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -1.745 2.142 0.003 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.141 3.435 -5.716 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.543 3.581 -5.360 1.00 0.76 C ATOM 1789 C GLY A 113 -12.481 2.690 -6.162 1.00 0.77 C ATOM 1790 O GLY A 113 -12.703 1.525 -5.840 1.00 0.80 O ATOM 0 H GLY A 113 -9.941 3.585 -6.705 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.663 3.357 -4.300 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.837 4.621 -5.501 1.00 0.76 H new ATOM 1794 N PRO A 114 -13.048 3.244 -7.251 1.00 0.90 N ATOM 1795 CA PRO A 114 -14.088 2.594 -8.044 1.00 1.07 C ATOM 1796 C PRO A 114 -13.544 1.628 -9.096 1.00 0.90 C ATOM 1797 O PRO A 114 -14.287 1.160 -9.959 1.00 1.05 O ATOM 1798 CB PRO A 114 -14.809 3.767 -8.729 1.00 1.40 C ATOM 1799 CG PRO A 114 -14.061 5.009 -8.344 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.736 4.567 -7.792 1.00 1.03 C ATOM 0 HA PRO A 114 -14.729 1.978 -7.412 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -14.817 3.639 -9.811 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -15.849 3.825 -8.407 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -13.922 5.659 -9.208 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -14.618 5.580 -7.601 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.969 4.519 -8.565 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.370 5.245 -7.021 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.253 1.334 -9.039 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.665 0.347 -9.913 1.00 0.74 C ATOM 1810 C ARG A 115 -11.250 -0.829 -9.060 1.00 0.69 C ATOM 1811 O ARG A 115 -10.879 -1.892 -9.559 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.453 0.924 -10.648 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.763 2.190 -11.429 1.00 1.39 C ATOM 1814 CD ARG A 115 -11.794 1.948 -12.518 1.00 1.63 C ATOM 1815 NE ARG A 115 -11.303 1.043 -13.554 1.00 1.81 N ATOM 1816 CZ ARG A 115 -11.454 1.260 -14.858 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -12.097 2.340 -15.290 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -10.975 0.383 -15.731 1.00 2.62 N ATOM 0 H ARG A 115 -11.596 1.770 -8.392 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.387 0.038 -10.669 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.667 1.137 -9.924 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -10.061 0.171 -11.332 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -11.130 2.957 -10.746 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -9.846 2.574 -11.876 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -12.698 1.532 -12.074 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -12.071 2.900 -12.971 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.816 0.196 -13.261 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -12.478 3.008 -14.620 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -12.209 2.500 -16.291 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -10.493 -0.454 -15.401 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -11.089 0.545 -16.732 1.00 2.62 H new ATOM 1832 N THR A 116 -11.334 -0.626 -7.752 1.00 0.61 N ATOM 1833 CA THR A 116 -10.903 -1.616 -6.818 1.00 0.75 C ATOM 1834 C THR A 116 -12.085 -2.353 -6.188 1.00 0.85 C ATOM 1835 O THR A 116 -13.017 -1.772 -5.630 1.00 1.23 O ATOM 1836 CB THR A 116 -9.949 -0.988 -5.811 1.00 0.93 C ATOM 1837 OG1 THR A 116 -10.403 0.314 -5.446 1.00 0.93 O ATOM 1838 CG2 THR A 116 -8.577 -0.880 -6.446 1.00 1.13 C ATOM 0 H THR A 116 -11.701 0.226 -7.328 1.00 0.61 H new ATOM 0 HA THR A 116 -10.344 -2.393 -7.340 1.00 0.75 H new ATOM 0 HB THR A 116 -9.906 -1.609 -4.916 1.00 0.93 H new ATOM 0 HG1 THR A 116 -10.369 0.411 -4.471 1.00 0.93 H new ATOM 0 HG21 THR A 116 -7.882 -0.432 -5.736 1.00 1.13 H new ATOM 0 HG22 THR A 116 -8.224 -1.874 -6.721 1.00 1.13 H new ATOM 0 HG23 THR A 116 -8.637 -0.257 -7.338 1.00 1.13 H new ATOM 1846 N HIS A 117 -11.966 -3.657 -6.315 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.039 -4.642 -6.339 1.00 0.77 C ATOM 1848 C HIS A 117 -12.465 -5.570 -7.369 1.00 0.68 C ATOM 1849 O HIS A 117 -11.309 -5.328 -7.740 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.428 -4.083 -6.747 1.00 0.89 C ATOM 1851 CG HIS A 117 -14.527 -3.463 -8.115 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -14.591 -4.024 -9.345 1.00 1.92 N flip ATOM 1853 CD2 HIS A 117 -14.615 -2.103 -8.320 1.00 2.10 C flip ATOM 1854 CE1 HIS A 117 -14.714 -3.006 -10.254 1.00 2.75 C flip ATOM 1855 NE2 HIS A 117 -14.726 -1.858 -9.611 1.00 2.85 N flip ATOM 0 H HIS A 117 -11.050 -4.095 -6.412 1.00 0.70 H new ATOM 0 HA HIS A 117 -13.272 -5.077 -5.367 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -15.153 -4.894 -6.687 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.724 -3.335 -6.011 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -14.596 -1.353 -7.543 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -14.789 -3.126 -11.325 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -14.807 -0.935 -10.038 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.103 -6.604 -7.872 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.362 -7.263 -8.920 1.00 0.69 C ATOM 1866 C TYR A 118 -12.644 -6.507 -10.210 1.00 0.68 C ATOM 1867 O TYR A 118 -13.473 -6.877 -11.038 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.733 -8.744 -9.057 1.00 0.78 C ATOM 1869 CG TYR A 118 -11.784 -9.501 -9.965 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -10.577 -10.000 -9.489 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -12.111 -9.735 -11.294 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -9.724 -10.710 -10.314 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -11.262 -10.440 -12.126 1.00 2.72 C ATOM 1874 CZ TYR A 118 -10.016 -10.859 -11.629 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.230 -11.637 -12.459 1.00 4.11 O ATOM 0 H TYR A 118 -14.019 -6.972 -7.615 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.298 -7.249 -8.682 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -12.733 -9.207 -8.070 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -13.747 -8.826 -9.448 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -10.301 -9.831 -8.459 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -13.045 -9.359 -11.684 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -8.823 -11.147 -9.909 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -11.551 -10.665 -13.142 1.00 2.72 H new ATOM 0 HH TYR A 118 -9.599 -11.623 -13.367 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.913 -5.400 -10.308 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.764 -4.626 -11.509 1.00 0.65 C ATOM 1887 C GLY A 119 -10.344 -4.727 -11.996 1.00 0.65 C ATOM 1888 O GLY A 119 -10.059 -4.831 -13.188 1.00 0.73 O ATOM 0 H GLY A 119 -11.395 -5.015 -9.518 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.449 -4.988 -12.275 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.021 -3.584 -11.318 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.460 -4.680 -11.008 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.025 -4.608 -11.199 1.00 0.64 C ATOM 1894 C GLN A 120 -7.336 -5.683 -10.360 1.00 0.62 C ATOM 1895 O GLN A 120 -7.815 -6.037 -9.282 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.542 -3.220 -10.751 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.752 -2.113 -11.775 1.00 1.05 C ATOM 1898 CD GLN A 120 -6.737 -2.141 -12.902 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -5.669 -1.534 -12.801 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -7.070 -2.820 -13.985 1.00 2.13 N ATOM 0 H GLN A 120 -9.734 -4.691 -10.025 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.782 -4.770 -12.249 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.061 -2.949 -9.831 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.480 -3.279 -10.512 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -8.754 -2.201 -12.195 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -7.700 -1.147 -11.272 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -7.965 -3.308 -14.026 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -6.432 -2.856 -14.780 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.208 -6.193 -10.844 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.402 -7.144 -10.075 1.00 0.78 C ATOM 1911 C LYS A 121 -4.570 -6.387 -9.053 1.00 0.70 C ATOM 1912 O LYS A 121 -3.708 -6.952 -8.382 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.487 -7.964 -10.993 1.00 1.06 C ATOM 1914 CG LYS A 121 -5.205 -8.579 -12.190 1.00 1.43 C ATOM 1915 CD LYS A 121 -6.127 -9.728 -11.794 1.00 1.94 C ATOM 1916 CE LYS A 121 -5.334 -10.948 -11.345 1.00 2.28 C ATOM 1917 NZ LYS A 121 -6.206 -12.117 -11.038 1.00 2.85 N ATOM 0 H LYS A 121 -5.829 -5.966 -11.763 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.073 -7.836 -9.566 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -3.682 -7.324 -11.354 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -4.024 -8.761 -10.411 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -5.787 -7.808 -12.695 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -4.467 -8.941 -12.905 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -6.788 -9.405 -10.989 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -6.761 -9.995 -12.639 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -4.625 -11.223 -12.126 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -4.751 -10.692 -10.460 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -5.707 -12.996 -11.282 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -6.438 -12.120 -10.024 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -7.083 -12.051 -11.594 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.867 -5.098 -8.941 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.276 -4.231 -7.937 1.00 0.72 C ATOM 1933 C ALA A 122 -4.749 -4.638 -6.543 1.00 0.54 C ATOM 1934 O ALA A 122 -4.286 -4.118 -5.529 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.662 -2.792 -8.236 1.00 0.92 C ATOM 0 H ALA A 122 -5.532 -4.624 -9.552 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.190 -4.324 -7.965 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -4.222 -2.134 -7.486 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -4.294 -2.514 -9.224 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.747 -2.694 -8.213 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.692 -5.566 -6.519 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.225 -6.107 -5.283 1.00 0.44 C ATOM 1943 C ILE A 123 -5.391 -7.320 -4.829 1.00 0.40 C ATOM 1944 O ILE A 123 -5.637 -7.901 -3.769 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.707 -6.523 -5.496 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.495 -5.377 -6.134 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.374 -6.926 -4.187 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -8.673 -4.183 -5.222 1.00 1.37 C ATOM 0 H ILE A 123 -6.109 -5.965 -7.360 1.00 0.44 H new ATOM 0 HA ILE A 123 -6.175 -5.344 -4.506 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.708 -7.387 -6.161 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.984 -5.057 -7.042 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -9.477 -5.745 -6.433 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.409 -7.210 -4.378 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.840 -7.771 -3.752 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -8.351 -6.086 -3.493 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -9.240 -3.410 -5.741 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -9.211 -4.488 -4.325 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -7.696 -3.790 -4.943 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.377 -7.678 -5.625 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.484 -8.793 -5.276 1.00 0.43 C ATOM 1962 C LEU A 124 -2.187 -8.294 -4.641 1.00 0.37 C ATOM 1963 O LEU A 124 -1.188 -8.024 -5.347 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.154 -9.635 -6.507 1.00 0.63 C ATOM 1965 CG LEU A 124 -4.345 -10.310 -7.180 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -3.866 -11.200 -8.309 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -5.151 -11.118 -6.173 1.00 1.83 C ATOM 0 H LEU A 124 -4.154 -7.218 -6.508 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.013 -9.410 -4.550 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -2.658 -8.998 -7.239 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.438 -10.405 -6.218 1.00 0.63 H new ATOM 0 HG LEU A 124 -4.994 -9.536 -7.590 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -4.723 -11.678 -8.784 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -3.332 -10.599 -9.045 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -3.198 -11.964 -7.911 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -5.995 -11.590 -6.677 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -4.516 -11.886 -5.732 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -5.520 -10.457 -5.388 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.193 -8.207 -3.308 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.078 -7.638 -2.577 1.00 0.45 C ATOM 1981 C PHE A 125 -0.171 -8.706 -2.003 1.00 0.36 C ATOM 1982 O PHE A 125 -0.609 -9.803 -1.640 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.551 -6.780 -1.409 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.492 -5.670 -1.753 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.838 -5.925 -1.931 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -2.027 -4.380 -1.930 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.704 -4.914 -2.278 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -2.890 -3.364 -2.271 1.00 1.05 C ATOM 1989 CZ PHE A 125 -4.239 -3.604 -2.330 1.00 0.85 C ATOM 0 H PHE A 125 -2.963 -8.526 -2.720 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.534 -7.033 -3.302 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.036 -7.429 -0.680 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.676 -6.351 -0.921 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -4.214 -6.928 -1.796 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -0.976 -4.168 -1.799 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.736 -5.135 -2.508 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -2.506 -2.379 -2.492 1.00 1.05 H new ATOM 0 HZ PHE A 125 -4.935 -2.782 -2.416 1.00 0.85 H new ATOM 1999 N LEU A 126 1.094 -8.350 -1.909 1.00 0.36 N ATOM 2000 CA LEU A 126 2.085 -9.126 -1.207 1.00 0.49 C ATOM 2001 C LEU A 126 2.912 -8.158 -0.383 1.00 0.48 C ATOM 2002 O LEU A 126 3.536 -7.247 -0.934 1.00 0.49 O ATOM 2003 CB LEU A 126 2.981 -9.905 -2.180 1.00 0.68 C ATOM 2004 CG LEU A 126 2.288 -11.025 -2.961 1.00 1.22 C ATOM 2005 CD1 LEU A 126 3.245 -11.646 -3.964 1.00 1.98 C ATOM 2006 CD2 LEU A 126 1.756 -12.087 -2.011 1.00 1.96 C ATOM 0 H LEU A 126 1.465 -7.497 -2.328 1.00 0.36 H new ATOM 0 HA LEU A 126 1.598 -9.864 -0.570 1.00 0.49 H new ATOM 0 HB2 LEU A 126 3.412 -9.201 -2.893 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.809 -10.336 -1.618 1.00 0.68 H new ATOM 0 HG LEU A 126 1.447 -10.594 -3.505 1.00 1.22 H new ATOM 0 HD11 LEU A 126 2.735 -12.440 -4.510 1.00 1.98 H new ATOM 0 HD12 LEU A 126 3.583 -10.883 -4.665 1.00 1.98 H new ATOM 0 HD13 LEU A 126 4.104 -12.061 -3.438 1.00 1.98 H new ATOM 0 HD21 LEU A 126 1.267 -12.875 -2.583 1.00 1.96 H new ATOM 0 HD22 LEU A 126 2.582 -12.512 -1.441 1.00 1.96 H new ATOM 0 HD23 LEU A 126 1.037 -11.636 -1.327 1.00 1.96 H new ATOM 2018 N PRO A 127 2.917 -8.308 0.936 1.00 0.54 N ATOM 2019 CA PRO A 127 3.634 -7.414 1.807 1.00 0.55 C ATOM 2020 C PRO A 127 4.925 -8.046 2.289 1.00 0.53 C ATOM 2021 O PRO A 127 4.931 -8.926 3.154 1.00 0.66 O ATOM 2022 CB PRO A 127 2.643 -7.251 2.963 1.00 0.72 C ATOM 2023 CG PRO A 127 1.799 -8.504 2.955 1.00 0.81 C ATOM 2024 CD PRO A 127 2.161 -9.288 1.711 1.00 0.68 C ATOM 0 HA PRO A 127 3.930 -6.476 1.336 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.165 -7.136 3.913 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.026 -6.362 2.828 1.00 0.72 H new ATOM 0 HG2 PRO A 127 1.985 -9.098 3.850 1.00 0.81 H new ATOM 0 HG3 PRO A 127 0.739 -8.252 2.954 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.758 -10.170 1.945 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.276 -9.634 1.177 1.00 0.68 H new ATOM 2032 N LEU A 128 6.024 -7.586 1.724 1.00 0.44 N ATOM 2033 CA LEU A 128 7.317 -8.184 2.006 1.00 0.46 C ATOM 2034 C LEU A 128 8.232 -7.170 2.663 1.00 0.39 C ATOM 2035 O LEU A 128 8.492 -6.122 2.103 1.00 0.39 O ATOM 2036 CB LEU A 128 7.953 -8.708 0.714 1.00 0.56 C ATOM 2037 CG LEU A 128 7.141 -9.775 -0.026 1.00 0.98 C ATOM 2038 CD1 LEU A 128 7.822 -10.151 -1.334 1.00 1.34 C ATOM 2039 CD2 LEU A 128 6.954 -11.006 0.848 1.00 1.47 C ATOM 0 H LEU A 128 6.049 -6.804 1.070 1.00 0.44 H new ATOM 0 HA LEU A 128 7.172 -9.020 2.690 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.116 -7.866 0.041 1.00 0.56 H new ATOM 0 HB3 LEU A 128 8.934 -9.120 0.952 1.00 0.56 H new ATOM 0 HG LEU A 128 6.158 -9.362 -0.254 1.00 0.98 H new ATOM 0 HD11 LEU A 128 7.231 -10.910 -1.847 1.00 1.34 H new ATOM 0 HD12 LEU A 128 7.906 -9.268 -1.967 1.00 1.34 H new ATOM 0 HD13 LEU A 128 8.817 -10.545 -1.126 1.00 1.34 H new ATOM 0 HD21 LEU A 128 6.375 -11.753 0.305 1.00 1.47 H new ATOM 0 HD22 LEU A 128 7.929 -11.420 1.107 1.00 1.47 H new ATOM 0 HD23 LEU A 128 6.424 -10.728 1.759 1.00 1.47 H new ATOM 2051 N PRO A 129 8.725 -7.456 3.864 1.00 0.41 N ATOM 2052 CA PRO A 129 9.630 -6.556 4.559 1.00 0.40 C ATOM 2053 C PRO A 129 11.074 -6.769 4.112 1.00 0.48 C ATOM 2054 O PRO A 129 11.401 -7.804 3.522 1.00 0.55 O ATOM 2055 CB PRO A 129 9.430 -6.940 6.023 1.00 0.48 C ATOM 2056 CG PRO A 129 9.025 -8.382 6.003 1.00 0.68 C ATOM 2057 CD PRO A 129 8.436 -8.671 4.643 1.00 0.53 C ATOM 0 HA PRO A 129 9.430 -5.503 4.363 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.346 -6.797 6.596 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.663 -6.323 6.490 1.00 0.48 H new ATOM 0 HG2 PRO A 129 9.885 -9.024 6.192 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.296 -8.586 6.787 1.00 0.68 H new ATOM 0 HD2 PRO A 129 8.890 -9.553 4.191 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.364 -8.860 4.704 1.00 0.53 H new ATOM 2065 N VAL A 130 11.928 -5.782 4.376 1.00 0.56 N ATOM 2066 CA VAL A 130 13.301 -5.791 3.862 1.00 0.76 C ATOM 2067 C VAL A 130 14.055 -7.041 4.302 1.00 0.97 C ATOM 2068 O VAL A 130 13.917 -7.517 5.434 1.00 1.03 O ATOM 2069 CB VAL A 130 14.097 -4.548 4.308 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.406 -4.429 3.540 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.267 -3.284 4.147 1.00 1.36 C ATOM 0 H VAL A 130 11.696 -4.966 4.942 1.00 0.56 H new ATOM 0 HA VAL A 130 13.214 -5.782 2.776 1.00 0.76 H new ATOM 0 HB VAL A 130 14.335 -4.669 5.365 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.946 -3.543 3.876 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.015 -5.315 3.720 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.196 -4.343 2.474 1.00 1.43 H new ATOM 0 HG21 VAL A 130 13.851 -2.422 4.468 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.987 -3.163 3.100 1.00 1.36 H new ATOM 0 HG23 VAL A 130 12.367 -3.360 4.757 1.00 1.36 H new ATOM 2081 N SER A 131 14.867 -7.542 3.399 1.00 1.27 N ATOM 2082 CA SER A 131 15.593 -8.781 3.601 1.00 1.65 C ATOM 2083 C SER A 131 16.988 -8.489 4.144 1.00 1.86 C ATOM 2084 O SER A 131 17.495 -7.379 3.993 1.00 1.88 O ATOM 2085 CB SER A 131 15.687 -9.531 2.272 1.00 2.07 C ATOM 2086 OG SER A 131 14.402 -9.679 1.682 1.00 2.32 O ATOM 0 H SER A 131 15.045 -7.100 2.497 1.00 1.27 H new ATOM 0 HA SER A 131 15.064 -9.399 4.327 1.00 1.65 H new ATOM 0 HB2 SER A 131 16.345 -8.991 1.591 1.00 2.07 H new ATOM 0 HB3 SER A 131 16.133 -10.512 2.434 1.00 2.07 H new ATOM 0 HG SER A 131 14.486 -10.160 0.832 1.00 2.32 H new ATOM 2092 N SER A 132 17.612 -9.484 4.762 1.00 2.21 N ATOM 2093 CA SER A 132 18.936 -9.308 5.335 1.00 2.54 C ATOM 2094 C SER A 132 20.000 -9.647 4.305 1.00 3.02 C ATOM 2095 O SER A 132 20.401 -10.804 4.153 1.00 3.59 O ATOM 2096 CB SER A 132 19.108 -10.208 6.562 1.00 2.98 C ATOM 2097 OG SER A 132 18.054 -10.017 7.488 1.00 2.97 O ATOM 0 H SER A 132 17.221 -10.419 4.878 1.00 2.21 H new ATOM 0 HA SER A 132 19.046 -8.267 5.638 1.00 2.54 H new ATOM 0 HB2 SER A 132 19.137 -11.252 6.250 1.00 2.98 H new ATOM 0 HB3 SER A 132 20.062 -9.993 7.043 1.00 2.98 H new ATOM 0 HG SER A 132 18.279 -9.278 8.092 1.00 2.97 H new ATOM 2103 N ASP A 133 20.440 -8.631 3.586 1.00 3.06 N ATOM 2104 CA ASP A 133 21.453 -8.803 2.559 1.00 3.74 C ATOM 2105 C ASP A 133 22.693 -7.998 2.911 1.00 3.96 C ATOM 2106 O ASP A 133 22.664 -6.762 2.757 1.00 4.33 O ATOM 2107 CB ASP A 133 20.919 -8.385 1.188 1.00 3.99 C ATOM 2108 CG ASP A 133 21.939 -8.608 0.089 1.00 4.66 C ATOM 2109 OD1 ASP A 133 22.185 -9.774 -0.276 1.00 5.12 O ATOM 2110 OD2 ASP A 133 22.501 -7.614 -0.417 1.00 5.00 O ATOM 2111 OXT ASP A 133 23.681 -8.609 3.367 1.00 4.10 O ATOM 0 H ASP A 133 20.110 -7.672 3.695 1.00 3.06 H new ATOM 0 HA ASP A 133 21.717 -9.859 2.511 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.015 -8.951 0.963 1.00 3.99 H new ATOM 0 HB3 ASP A 133 20.638 -7.332 1.214 1.00 3.99 H new TER 2116 ASP A 133