USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=40 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 1 TYR N :NH3+ 159:sc= -1.75! (180deg=-2.9!) USER MOD Set 1.2: A 132 SER OG : rot 180:sc= 0.469 USER MOD Set 2.1: A 105 LYS NZ :NH3+ 141:sc= 1.31 (180deg=-0.11) USER MOD Set 2.2: A 107 ASN : amide:sc= -0.959! C(o=0.35!,f=-15!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 36 GLN : amide:sc= -2.99! C(o=-4.7!,f=-7.8!) USER MOD Set 4.2: A 54 THR OG1 : rot -123:sc= -1.74! USER MOD Set 5.1: A 8 TYR OH : rot 19:sc= 0.21 USER MOD Set 5.2: A 11 ASN : amide:sc= 0.21 X(o=0.42,f=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0771 (180deg=-0.39) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 40:sc= -0.823 USER MOD Single : A 10 SER OG : rot 65:sc= 0.845 USER MOD Single : A 14 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-5.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 34 HIS :FLIP no HD1:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.8!) 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 69:sc= 1.26 USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.2) USER MOD Single : A 51 SER OG : rot -10:sc= -0.0608 USER MOD Single : A 52 THR OG1 : rot -80:sc= -2.64! USER MOD Single : A 56 GLN : amide:sc= -11.5! C(o=-12!,f=-16!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -107:sc= -5.79! (180deg=-9.67!) USER MOD Single : A 62 THR OG1 : rot 84:sc= 0.193 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -105:sc= 0.158 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.101 K(o=-0.1,f=-6.9!) USER MOD Single : A 76 CYS SG : rot -81:sc= -0.493 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.948 K(o=0.95,f=-3.2!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 170:sc= -0.502 USER MOD Single : A 93 LYS NZ :NH3+ 153:sc= 1.2 (180deg=0.8) USER MOD Single : A 94 LYS NZ :NH3+ -117:sc= 1.04 (180deg=0.821) USER MOD Single : A 95 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-5.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -160:sc= 0.752 (180deg=0.195) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00714 USER MOD Single : A 110 CYS SG : rot 180:sc= 0.055 USER MOD Single : A 111 LYS NZ :NH3+ -138:sc= 0.143 (180deg=-4.66!) USER MOD Single : A 116 THR OG1 : rot 59:sc= -2.79! USER MOD Single : A 117 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.21) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.57 K(o=-0.57,f=-5.6!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 104:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 17.565 -8.608 8.458 1.00 2.41 N ATOM 2 CA TYR A 1 17.260 -7.293 9.050 1.00 2.09 C ATOM 3 C TYR A 1 15.786 -6.986 8.890 1.00 2.03 C ATOM 4 O TYR A 1 15.368 -6.597 7.809 1.00 2.57 O ATOM 5 CB TYR A 1 18.054 -6.197 8.332 1.00 2.90 C ATOM 6 CG TYR A 1 18.315 -4.951 9.158 1.00 3.87 C ATOM 7 CD1 TYR A 1 17.438 -4.538 10.154 1.00 4.74 C ATOM 8 CD2 TYR A 1 19.445 -4.180 8.924 1.00 4.39 C ATOM 9 CE1 TYR A 1 17.683 -3.395 10.894 1.00 5.86 C ATOM 10 CE2 TYR A 1 19.698 -3.039 9.660 1.00 5.57 C ATOM 11 CZ TYR A 1 18.814 -2.650 10.641 1.00 6.21 C ATOM 12 OH TYR A 1 19.065 -1.510 11.371 1.00 7.47 O ATOM 0 H1 TYR A 1 18.581 -8.666 8.245 1.00 2.41 H new ATOM 0 H2 TYR A 1 17.309 -9.359 9.130 1.00 2.41 H new ATOM 0 H3 TYR A 1 17.020 -8.728 7.580 1.00 2.41 H new ATOM 0 HA TYR A 1 17.529 -7.321 10.106 1.00 2.09 H new ATOM 0 HB2 TYR A 1 19.011 -6.611 8.014 1.00 2.90 H new ATOM 0 HB3 TYR A 1 17.515 -5.910 7.429 1.00 2.90 H new ATOM 0 HD1 TYR A 1 16.550 -5.119 10.354 1.00 4.74 H new ATOM 0 HD2 TYR A 1 20.139 -4.478 8.152 1.00 4.39 H new ATOM 0 HE1 TYR A 1 16.992 -3.089 11.665 1.00 5.86 H new ATOM 0 HE2 TYR A 1 20.585 -2.455 9.467 1.00 5.57 H new ATOM 0 HH TYR A 1 19.904 -1.105 11.067 1.00 7.47 H new ATOM 24 N LYS A 2 14.991 -7.154 9.940 1.00 2.03 N ATOM 25 CA LYS A 2 13.588 -6.800 9.830 1.00 2.09 C ATOM 26 C LYS A 2 13.457 -5.285 9.843 1.00 1.28 C ATOM 27 O LYS A 2 14.069 -4.610 10.674 1.00 1.83 O ATOM 28 CB LYS A 2 12.777 -7.406 10.981 1.00 3.32 C ATOM 29 CG LYS A 2 11.318 -6.968 10.987 1.00 4.26 C ATOM 30 CD LYS A 2 10.553 -7.545 12.169 1.00 5.27 C ATOM 31 CE LYS A 2 10.402 -9.052 12.059 1.00 6.31 C ATOM 32 NZ LYS A 2 9.642 -9.446 10.844 1.00 6.96 N ATOM 0 H LYS A 2 15.283 -7.520 10.846 1.00 2.03 H new ATOM 0 HA LYS A 2 13.195 -7.199 8.895 1.00 2.09 H new ATOM 0 HB2 LYS A 2 12.822 -8.493 10.915 1.00 3.32 H new ATOM 0 HB3 LYS A 2 13.237 -7.125 11.928 1.00 3.32 H new ATOM 0 HG2 LYS A 2 11.267 -5.880 11.019 1.00 4.26 H new ATOM 0 HG3 LYS A 2 10.841 -7.283 10.059 1.00 4.26 H new ATOM 0 HD2 LYS A 2 11.073 -7.298 13.095 1.00 5.27 H new ATOM 0 HD3 LYS A 2 9.567 -7.084 12.225 1.00 5.27 H new ATOM 0 HE2 LYS A 2 11.389 -9.515 12.036 1.00 6.31 H new ATOM 0 HE3 LYS A 2 9.892 -9.431 12.945 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 9.312 -10.427 10.944 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 8.823 -8.816 10.727 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 10.258 -9.371 10.010 1.00 6.96 H new ATOM 46 N LYS A 3 12.634 -4.771 8.943 1.00 0.93 N ATOM 47 CA LYS A 3 12.415 -3.340 8.796 1.00 0.96 C ATOM 48 C LYS A 3 11.128 -3.102 8.016 1.00 0.78 C ATOM 49 O LYS A 3 10.404 -4.059 7.738 1.00 1.17 O ATOM 50 CB LYS A 3 13.620 -2.674 8.096 1.00 1.91 C ATOM 51 CG LYS A 3 14.742 -2.271 9.041 1.00 2.62 C ATOM 52 CD LYS A 3 15.773 -1.385 8.359 1.00 3.43 C ATOM 53 CE LYS A 3 15.155 -0.082 7.875 1.00 4.25 C ATOM 54 NZ LYS A 3 16.185 0.886 7.420 1.00 4.81 N ATOM 0 H LYS A 3 12.095 -5.339 8.289 1.00 0.93 H new ATOM 0 HA LYS A 3 12.317 -2.888 9.783 1.00 0.96 H new ATOM 0 HB2 LYS A 3 14.018 -3.361 7.349 1.00 1.91 H new ATOM 0 HB3 LYS A 3 13.273 -1.789 7.563 1.00 1.91 H new ATOM 0 HG2 LYS A 3 14.322 -1.744 9.898 1.00 2.62 H new ATOM 0 HG3 LYS A 3 15.231 -3.166 9.425 1.00 2.62 H new ATOM 0 HD2 LYS A 3 16.584 -1.168 9.054 1.00 3.43 H new ATOM 0 HD3 LYS A 3 16.210 -1.917 7.514 1.00 3.43 H new ATOM 0 HE2 LYS A 3 14.466 -0.290 7.057 1.00 4.25 H new ATOM 0 HE3 LYS A 3 14.570 0.363 8.680 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 15.722 1.760 7.098 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 16.828 1.104 8.208 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 16.727 0.472 6.635 1.00 4.81 H new ATOM 68 N PRO A 4 10.807 -1.832 7.692 1.00 0.45 N ATOM 69 CA PRO A 4 9.731 -1.466 6.774 1.00 0.41 C ATOM 70 C PRO A 4 9.541 -2.453 5.628 1.00 0.39 C ATOM 71 O PRO A 4 10.498 -2.902 4.993 1.00 0.53 O ATOM 72 CB PRO A 4 10.199 -0.107 6.229 1.00 0.59 C ATOM 73 CG PRO A 4 11.462 0.222 6.969 1.00 0.72 C ATOM 74 CD PRO A 4 11.433 -0.616 8.204 1.00 0.80 C ATOM 0 HA PRO A 4 8.765 -1.451 7.278 1.00 0.41 H new ATOM 0 HB2 PRO A 4 10.378 -0.158 5.155 1.00 0.59 H new ATOM 0 HB3 PRO A 4 9.441 0.660 6.390 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.341 -0.002 6.364 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.507 1.283 7.216 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.431 -0.801 8.602 1.00 0.80 H new ATOM 0 HD3 PRO A 4 10.851 -0.156 9.003 1.00 0.80 H new ATOM 82 N LYS A 5 8.288 -2.783 5.386 1.00 0.38 N ATOM 83 CA LYS A 5 7.923 -3.718 4.339 1.00 0.38 C ATOM 84 C LYS A 5 7.839 -3.030 2.978 1.00 0.35 C ATOM 85 O LYS A 5 7.792 -1.803 2.872 1.00 0.40 O ATOM 86 CB LYS A 5 6.591 -4.408 4.675 1.00 0.44 C ATOM 87 CG LYS A 5 5.356 -3.524 4.547 1.00 1.16 C ATOM 88 CD LYS A 5 4.654 -3.722 3.208 1.00 1.64 C ATOM 89 CE LYS A 5 3.341 -2.955 3.137 1.00 2.57 C ATOM 90 NZ LYS A 5 2.604 -3.223 1.872 1.00 3.33 N ATOM 0 H LYS A 5 7.495 -2.411 5.908 1.00 0.38 H new ATOM 0 HA LYS A 5 8.706 -4.474 4.281 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.471 -5.271 4.020 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.643 -4.787 5.695 1.00 0.44 H new ATOM 0 HG2 LYS A 5 4.663 -3.749 5.358 1.00 1.16 H new ATOM 0 HG3 LYS A 5 5.645 -2.478 4.655 1.00 1.16 H new ATOM 0 HD2 LYS A 5 5.310 -3.394 2.402 1.00 1.64 H new ATOM 0 HD3 LYS A 5 4.463 -4.784 3.051 1.00 1.64 H new ATOM 0 HE2 LYS A 5 2.715 -3.230 3.986 1.00 2.57 H new ATOM 0 HE3 LYS A 5 3.541 -1.887 3.220 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 1.717 -2.681 1.866 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 3.190 -2.937 1.062 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 2.390 -4.238 1.803 1.00 3.33 H new ATOM 104 N LEU A 6 7.794 -3.859 1.953 1.00 0.35 N ATOM 105 CA LEU A 6 7.780 -3.424 0.562 1.00 0.37 C ATOM 106 C LEU A 6 6.395 -3.584 -0.054 1.00 0.37 C ATOM 107 O LEU A 6 5.616 -4.452 0.354 1.00 0.46 O ATOM 108 CB LEU A 6 8.812 -4.229 -0.236 1.00 0.51 C ATOM 109 CG LEU A 6 8.681 -4.166 -1.761 1.00 0.64 C ATOM 110 CD1 LEU A 6 10.045 -4.133 -2.393 1.00 1.24 C ATOM 111 CD2 LEU A 6 7.910 -5.364 -2.301 1.00 1.49 C ATOM 0 H LEU A 6 7.766 -4.873 2.061 1.00 0.35 H new ATOM 0 HA LEU A 6 8.037 -2.365 0.528 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.807 -3.879 0.038 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.746 -5.273 0.071 1.00 0.51 H new ATOM 0 HG LEU A 6 8.132 -3.258 -2.010 1.00 0.64 H new ATOM 0 HD11 LEU A 6 9.943 -4.088 -3.477 1.00 1.24 H new ATOM 0 HD12 LEU A 6 10.587 -3.254 -2.043 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.596 -5.032 -2.117 1.00 1.24 H new ATOM 0 HD21 LEU A 6 7.835 -5.289 -3.386 1.00 1.49 H new ATOM 0 HD22 LEU A 6 8.433 -6.283 -2.036 1.00 1.49 H new ATOM 0 HD23 LEU A 6 6.910 -5.378 -1.868 1.00 1.49 H new ATOM 123 N LEU A 7 6.098 -2.751 -1.045 1.00 0.36 N ATOM 124 CA LEU A 7 4.825 -2.828 -1.744 1.00 0.39 C ATOM 125 C LEU A 7 4.963 -3.718 -2.967 1.00 0.41 C ATOM 126 O LEU A 7 5.356 -3.289 -4.057 1.00 0.58 O ATOM 127 CB LEU A 7 4.365 -1.424 -2.157 1.00 0.55 C ATOM 128 CG LEU A 7 2.886 -1.269 -2.555 1.00 0.59 C ATOM 129 CD1 LEU A 7 2.551 -1.994 -3.855 1.00 1.53 C ATOM 130 CD2 LEU A 7 1.989 -1.742 -1.421 1.00 1.25 C ATOM 0 H LEU A 7 6.721 -2.017 -1.380 1.00 0.36 H new ATOM 0 HA LEU A 7 4.077 -3.257 -1.077 1.00 0.39 H new ATOM 0 HB2 LEU A 7 4.568 -0.743 -1.331 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.979 -1.098 -2.997 1.00 0.55 H new ATOM 0 HG LEU A 7 2.705 -0.210 -2.736 1.00 0.59 H new ATOM 0 HD11 LEU A 7 1.496 -1.852 -4.089 1.00 1.53 H new ATOM 0 HD12 LEU A 7 3.160 -1.590 -4.664 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.758 -3.058 -3.742 1.00 1.53 H new ATOM 0 HD21 LEU A 7 0.945 -1.629 -1.712 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.194 -2.791 -1.208 1.00 1.25 H new ATOM 0 HD23 LEU A 7 2.184 -1.146 -0.530 1.00 1.25 H new ATOM 142 N TYR A 8 4.673 -4.974 -2.739 1.00 0.50 N ATOM 143 CA TYR A 8 4.512 -5.956 -3.796 1.00 0.71 C ATOM 144 C TYR A 8 3.057 -5.986 -4.285 1.00 0.44 C ATOM 145 O TYR A 8 2.119 -6.018 -3.510 1.00 0.73 O ATOM 146 CB TYR A 8 4.929 -7.340 -3.290 1.00 1.29 C ATOM 147 CG TYR A 8 5.578 -8.213 -4.341 1.00 1.60 C ATOM 148 CD1 TYR A 8 4.818 -8.906 -5.276 1.00 1.84 C ATOM 149 CD2 TYR A 8 6.960 -8.347 -4.389 1.00 2.21 C ATOM 150 CE1 TYR A 8 5.420 -9.707 -6.229 1.00 2.43 C ATOM 151 CE2 TYR A 8 7.567 -9.145 -5.338 1.00 2.93 C ATOM 152 CZ TYR A 8 6.795 -9.822 -6.255 1.00 2.96 C ATOM 153 OH TYR A 8 7.397 -10.618 -7.200 1.00 3.74 O ATOM 0 H TYR A 8 4.539 -5.355 -1.802 1.00 0.50 H new ATOM 0 HA TYR A 8 5.151 -5.677 -4.634 1.00 0.71 H new ATOM 0 HB2 TYR A 8 5.622 -7.217 -2.457 1.00 1.29 H new ATOM 0 HB3 TYR A 8 4.050 -7.852 -2.900 1.00 1.29 H new ATOM 0 HD1 TYR A 8 3.742 -8.818 -5.258 1.00 1.84 H new ATOM 0 HD2 TYR A 8 7.570 -7.818 -3.672 1.00 2.21 H new ATOM 0 HE1 TYR A 8 4.817 -10.240 -6.949 1.00 2.43 H new ATOM 0 HE2 TYR A 8 8.643 -9.238 -5.361 1.00 2.93 H new ATOM 0 HH TYR A 8 6.771 -10.783 -7.936 1.00 3.74 H new ATOM 163 N CYS A 9 2.922 -5.865 -5.581 1.00 0.63 N ATOM 164 CA CYS A 9 1.669 -5.964 -6.326 1.00 0.75 C ATOM 165 C CYS A 9 1.856 -7.033 -7.390 1.00 1.05 C ATOM 166 O CYS A 9 2.998 -7.308 -7.769 1.00 1.99 O ATOM 167 CB CYS A 9 1.248 -4.629 -6.935 1.00 1.57 C ATOM 168 SG CYS A 9 -0.307 -4.672 -7.857 1.00 2.64 S ATOM 0 H CYS A 9 3.721 -5.685 -6.189 1.00 0.63 H new ATOM 0 HA CYS A 9 0.860 -6.238 -5.649 1.00 0.75 H new ATOM 0 HB2 CYS A 9 1.160 -3.893 -6.136 1.00 1.57 H new ATOM 0 HB3 CYS A 9 2.039 -4.284 -7.601 1.00 1.57 H new ATOM 0 HG CYS A 9 -1.163 -5.423 -7.230 1.00 2.64 H new ATOM 174 N SER A 10 0.792 -7.662 -7.856 1.00 0.83 N ATOM 175 CA SER A 10 0.931 -8.861 -8.663 1.00 1.29 C ATOM 176 C SER A 10 1.541 -8.451 -9.999 1.00 0.84 C ATOM 177 O SER A 10 1.410 -7.301 -10.435 1.00 1.34 O ATOM 178 CB SER A 10 -0.429 -9.535 -8.861 1.00 2.36 C ATOM 179 OG SER A 10 -0.980 -9.939 -7.617 1.00 3.16 O ATOM 0 H SER A 10 -0.170 -7.366 -7.692 1.00 0.83 H new ATOM 0 HA SER A 10 1.577 -9.585 -8.166 1.00 1.29 H new ATOM 0 HB2 SER A 10 -1.112 -8.846 -9.359 1.00 2.36 H new ATOM 0 HB3 SER A 10 -0.318 -10.402 -9.513 1.00 2.36 H new ATOM 0 HG SER A 10 -1.164 -9.148 -7.068 1.00 3.16 H new ATOM 185 N ASN A 11 2.230 -9.385 -10.632 1.00 1.45 N ATOM 186 CA ASN A 11 3.520 -9.073 -11.229 1.00 1.79 C ATOM 187 C ASN A 11 3.459 -8.260 -12.506 1.00 1.40 C ATOM 188 O ASN A 11 2.984 -8.700 -13.552 1.00 1.83 O ATOM 189 CB ASN A 11 4.301 -10.360 -11.499 1.00 2.89 C ATOM 190 CG ASN A 11 4.392 -11.257 -10.281 1.00 3.45 C ATOM 191 OD1 ASN A 11 5.242 -11.062 -9.413 1.00 3.71 O ATOM 192 ND2 ASN A 11 3.531 -12.263 -10.221 1.00 4.02 N ATOM 0 H ASN A 11 1.925 -10.352 -10.746 1.00 1.45 H new ATOM 0 HA ASN A 11 4.023 -8.446 -10.493 1.00 1.79 H new ATOM 0 HB2 ASN A 11 3.823 -10.906 -12.312 1.00 2.89 H new ATOM 0 HB3 ASN A 11 5.307 -10.106 -11.834 1.00 2.89 H new ATOM 0 HD21 ASN A 11 3.558 -12.911 -9.434 1.00 4.02 H new ATOM 0 HD22 ASN A 11 2.842 -12.389 -10.962 1.00 4.02 H new ATOM 199 N GLY A 12 3.955 -7.041 -12.354 1.00 1.41 N ATOM 200 CA GLY A 12 4.408 -6.228 -13.466 1.00 1.36 C ATOM 201 C GLY A 12 5.789 -5.673 -13.153 1.00 1.49 C ATOM 202 O GLY A 12 6.244 -4.704 -13.756 1.00 2.34 O ATOM 0 H GLY A 12 4.054 -6.587 -11.446 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.441 -6.824 -14.378 1.00 1.36 H new ATOM 0 HA3 GLY A 12 3.707 -5.412 -13.644 1.00 1.36 H new ATOM 206 N GLY A 13 6.416 -6.314 -12.159 1.00 0.97 N ATOM 207 CA GLY A 13 7.719 -5.925 -11.619 1.00 1.26 C ATOM 208 C GLY A 13 7.890 -4.430 -11.430 1.00 0.84 C ATOM 209 O GLY A 13 8.569 -3.758 -12.200 1.00 0.89 O ATOM 0 H GLY A 13 6.021 -7.135 -11.700 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.865 -6.421 -10.659 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.500 -6.288 -12.287 1.00 1.26 H new ATOM 213 N HIS A 14 7.281 -3.935 -10.369 1.00 0.78 N ATOM 214 CA HIS A 14 7.462 -2.586 -9.875 1.00 0.61 C ATOM 215 C HIS A 14 7.627 -2.648 -8.363 1.00 0.61 C ATOM 216 O HIS A 14 7.454 -3.709 -7.773 1.00 0.92 O ATOM 217 CB HIS A 14 6.304 -1.671 -10.279 1.00 0.85 C ATOM 218 CG HIS A 14 6.491 -0.995 -11.614 1.00 0.75 C ATOM 219 ND1 HIS A 14 5.571 -0.119 -12.147 1.00 1.31 N ATOM 220 CD2 HIS A 14 7.498 -1.064 -12.517 1.00 1.07 C ATOM 221 CE1 HIS A 14 5.999 0.314 -13.318 1.00 1.17 C ATOM 222 NE2 HIS A 14 7.165 -0.244 -13.563 1.00 0.95 N ATOM 0 H HIS A 14 6.625 -4.480 -9.810 1.00 0.78 H new ATOM 0 HA HIS A 14 8.356 -2.153 -10.324 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.385 -2.256 -10.306 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.174 -0.907 -9.512 1.00 0.85 H new ATOM 0 HD1 HIS A 14 4.693 0.153 -11.704 1.00 1.31 H new ATOM 0 HD2 HIS A 14 8.397 -1.656 -12.429 1.00 1.07 H new ATOM 0 HE1 HIS A 14 5.481 1.007 -13.964 1.00 1.17 H new ATOM 231 N PHE A 15 7.992 -1.550 -7.751 1.00 0.49 N ATOM 232 CA PHE A 15 8.002 -1.428 -6.311 1.00 0.45 C ATOM 233 C PHE A 15 7.460 -0.048 -5.997 1.00 0.39 C ATOM 234 O PHE A 15 7.870 0.924 -6.628 1.00 0.41 O ATOM 235 CB PHE A 15 9.418 -1.613 -5.752 1.00 0.51 C ATOM 236 CG PHE A 15 10.044 -2.929 -6.132 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.573 -4.116 -5.595 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.088 -2.980 -7.041 1.00 1.15 C ATOM 239 CE1 PHE A 15 10.135 -5.327 -5.949 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.651 -4.189 -7.402 1.00 1.62 C ATOM 241 CZ PHE A 15 11.174 -5.363 -6.856 1.00 1.82 C ATOM 0 H PHE A 15 8.294 -0.707 -8.240 1.00 0.49 H new ATOM 0 HA PHE A 15 7.390 -2.201 -5.846 1.00 0.45 H new ATOM 0 HB2 PHE A 15 10.051 -0.801 -6.110 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.385 -1.535 -4.665 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.755 -4.094 -4.890 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.466 -2.065 -7.472 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.762 -6.244 -5.517 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.465 -4.215 -8.112 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.613 -6.308 -7.138 1.00 1.82 H new ATOM 251 N LEU A 16 6.540 0.059 -5.056 1.00 0.43 N ATOM 252 CA LEU A 16 5.819 1.309 -4.882 1.00 0.50 C ATOM 253 C LEU A 16 6.561 2.239 -3.918 1.00 0.48 C ATOM 254 O LEU A 16 6.759 1.920 -2.748 1.00 0.64 O ATOM 255 CB LEU A 16 4.429 0.971 -4.368 1.00 0.75 C ATOM 256 CG LEU A 16 3.373 2.047 -4.521 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.258 1.562 -5.435 1.00 2.23 C ATOM 258 CD2 LEU A 16 2.834 2.418 -3.159 1.00 1.59 C ATOM 0 H LEU A 16 6.277 -0.687 -4.412 1.00 0.43 H new ATOM 0 HA LEU A 16 5.745 1.840 -5.831 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.082 0.076 -4.885 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.508 0.718 -3.311 1.00 0.75 H new ATOM 0 HG LEU A 16 3.817 2.933 -4.975 1.00 1.35 H new ATOM 0 HD11 LEU A 16 1.505 2.344 -5.537 1.00 2.23 H new ATOM 0 HD12 LEU A 16 2.669 1.324 -6.416 1.00 2.23 H new ATOM 0 HD13 LEU A 16 1.799 0.670 -5.008 1.00 2.23 H new ATOM 0 HD21 LEU A 16 2.074 3.192 -3.267 1.00 1.59 H new ATOM 0 HD22 LEU A 16 2.392 1.539 -2.691 1.00 1.59 H new ATOM 0 HD23 LEU A 16 3.646 2.792 -2.536 1.00 1.59 H new ATOM 270 N ARG A 17 6.974 3.391 -4.454 1.00 0.40 N ATOM 271 CA ARG A 17 7.930 4.284 -3.803 1.00 0.42 C ATOM 272 C ARG A 17 7.388 5.702 -3.852 1.00 0.35 C ATOM 273 O ARG A 17 6.594 6.020 -4.741 1.00 0.37 O ATOM 274 CB ARG A 17 9.309 4.197 -4.474 1.00 0.59 C ATOM 275 CG ARG A 17 9.369 4.746 -5.891 1.00 1.00 C ATOM 276 CD ARG A 17 10.780 4.642 -6.450 1.00 1.17 C ATOM 277 NE ARG A 17 10.932 5.343 -7.724 1.00 1.46 N ATOM 278 CZ ARG A 17 12.111 5.601 -8.294 1.00 1.93 C ATOM 279 NH1 ARG A 17 13.239 5.185 -7.725 1.00 2.43 N ATOM 280 NH2 ARG A 17 12.162 6.266 -9.441 1.00 2.61 N ATOM 0 H ARG A 17 6.650 3.731 -5.360 1.00 0.40 H new ATOM 0 HA ARG A 17 8.059 3.982 -2.764 1.00 0.42 H new ATOM 0 HB2 ARG A 17 10.030 4.737 -3.860 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.623 3.153 -4.491 1.00 0.59 H new ATOM 0 HG2 ARG A 17 8.678 4.195 -6.529 1.00 1.00 H new ATOM 0 HG3 ARG A 17 9.046 5.787 -5.897 1.00 1.00 H new ATOM 0 HD2 ARG A 17 11.485 5.053 -5.727 1.00 1.17 H new ATOM 0 HD3 ARG A 17 11.037 3.591 -6.584 1.00 1.17 H new ATOM 0 HE ARG A 17 10.088 5.653 -8.205 1.00 1.46 H new ATOM 0 HH11 ARG A 17 13.206 4.665 -6.848 1.00 2.43 H new ATOM 0 HH12 ARG A 17 14.137 5.385 -8.166 1.00 2.43 H new ATOM 0 HH21 ARG A 17 11.300 6.580 -9.887 1.00 2.61 H new ATOM 0 HH22 ARG A 17 13.063 6.463 -9.877 1.00 2.61 H new ATOM 294 N ILE A 18 7.784 6.556 -2.921 1.00 0.33 N ATOM 295 CA ILE A 18 7.219 7.885 -2.876 1.00 0.31 C ATOM 296 C ILE A 18 8.056 8.878 -3.658 1.00 0.32 C ATOM 297 O ILE A 18 9.288 8.790 -3.716 1.00 0.36 O ATOM 298 CB ILE A 18 7.067 8.420 -1.439 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.409 8.898 -0.875 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.474 7.352 -0.541 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.273 9.720 0.391 1.00 0.91 C ATOM 0 H ILE A 18 8.480 6.354 -2.203 1.00 0.33 H new ATOM 0 HA ILE A 18 6.231 7.789 -3.327 1.00 0.31 H new ATOM 0 HB ILE A 18 6.392 9.275 -1.471 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.038 8.031 -0.671 1.00 0.45 H new ATOM 0 HG13 ILE A 18 8.921 9.492 -1.632 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.372 7.743 0.471 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.493 7.062 -0.919 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.130 6.481 -0.529 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.261 10.025 0.735 1.00 0.91 H new ATOM 0 HD12 ILE A 18 7.671 10.605 0.187 1.00 0.91 H new ATOM 0 HD13 ILE A 18 7.789 9.122 1.163 1.00 0.91 H new ATOM 313 N LEU A 19 7.349 9.792 -4.287 1.00 0.36 N ATOM 314 CA LEU A 19 7.941 10.924 -4.961 1.00 0.42 C ATOM 315 C LEU A 19 7.334 12.186 -4.367 1.00 0.41 C ATOM 316 O LEU A 19 6.215 12.149 -3.855 1.00 0.43 O ATOM 317 CB LEU A 19 7.659 10.855 -6.469 1.00 0.54 C ATOM 318 CG LEU A 19 8.230 9.632 -7.193 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.807 9.638 -8.653 1.00 1.56 C ATOM 320 CD2 LEU A 19 9.747 9.608 -7.082 1.00 1.84 C ATOM 0 H LEU A 19 6.331 9.768 -4.344 1.00 0.36 H new ATOM 0 HA LEU A 19 9.022 10.923 -4.825 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.580 10.873 -6.620 1.00 0.54 H new ATOM 0 HB3 LEU A 19 8.062 11.753 -6.937 1.00 0.54 H new ATOM 0 HG LEU A 19 7.835 8.733 -6.719 1.00 0.96 H new ATOM 0 HD11 LEU A 19 8.220 8.763 -9.155 1.00 1.56 H new ATOM 0 HD12 LEU A 19 6.719 9.613 -8.717 1.00 1.56 H new ATOM 0 HD13 LEU A 19 8.178 10.542 -9.136 1.00 1.56 H new ATOM 0 HD21 LEU A 19 10.136 8.733 -7.602 1.00 1.84 H new ATOM 0 HD22 LEU A 19 10.159 10.511 -7.533 1.00 1.84 H new ATOM 0 HD23 LEU A 19 10.034 9.564 -6.031 1.00 1.84 H new ATOM 332 N PRO A 20 8.040 13.322 -4.436 1.00 0.54 N ATOM 333 CA PRO A 20 7.571 14.592 -3.863 1.00 0.67 C ATOM 334 C PRO A 20 6.491 15.238 -4.720 1.00 0.68 C ATOM 335 O PRO A 20 6.116 16.392 -4.517 1.00 0.84 O ATOM 336 CB PRO A 20 8.819 15.478 -3.885 1.00 0.89 C ATOM 337 CG PRO A 20 9.960 14.566 -4.194 1.00 0.96 C ATOM 338 CD PRO A 20 9.375 13.466 -5.025 1.00 0.70 C ATOM 0 HA PRO A 20 7.136 14.450 -2.874 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.729 16.261 -4.638 1.00 0.89 H new ATOM 0 HB3 PRO A 20 8.964 15.974 -2.925 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.747 15.091 -4.735 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.408 14.173 -3.281 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.329 13.732 -6.081 1.00 0.70 H new ATOM 0 HD3 PRO A 20 9.955 12.546 -4.952 1.00 0.70 H new ATOM 346 N ASP A 21 6.002 14.471 -5.673 1.00 0.62 N ATOM 347 CA ASP A 21 4.992 14.939 -6.617 1.00 0.78 C ATOM 348 C ASP A 21 3.588 14.548 -6.167 1.00 0.75 C ATOM 349 O ASP A 21 2.614 14.736 -6.896 1.00 0.99 O ATOM 350 CB ASP A 21 5.268 14.371 -8.012 1.00 0.94 C ATOM 351 CG ASP A 21 6.570 14.877 -8.594 1.00 1.51 C ATOM 352 OD1 ASP A 21 7.638 14.334 -8.244 1.00 2.30 O ATOM 353 OD2 ASP A 21 6.536 15.829 -9.402 1.00 1.71 O ATOM 0 H ASP A 21 6.290 13.504 -5.820 1.00 0.62 H new ATOM 0 HA ASP A 21 5.047 16.027 -6.652 1.00 0.78 H new ATOM 0 HB2 ASP A 21 5.296 13.283 -7.959 1.00 0.94 H new ATOM 0 HB3 ASP A 21 4.448 14.637 -8.678 1.00 0.94 H new ATOM 358 N GLY A 22 3.489 13.996 -4.968 1.00 0.59 N ATOM 359 CA GLY A 22 2.196 13.619 -4.430 1.00 0.72 C ATOM 360 C GLY A 22 1.830 12.187 -4.758 1.00 0.61 C ATOM 361 O GLY A 22 0.657 11.872 -4.949 1.00 0.81 O ATOM 0 H GLY A 22 4.281 13.801 -4.356 1.00 0.59 H new ATOM 0 HA2 GLY A 22 2.203 13.751 -3.348 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.431 14.287 -4.827 1.00 0.72 H new ATOM 365 N THR A 23 2.826 11.312 -4.837 1.00 0.43 N ATOM 366 CA THR A 23 2.599 9.956 -5.216 1.00 0.39 C ATOM 367 C THR A 23 3.425 8.989 -4.398 1.00 0.40 C ATOM 368 O THR A 23 4.558 9.281 -4.020 1.00 0.46 O ATOM 369 CB THR A 23 3.047 9.743 -6.647 1.00 0.44 C ATOM 370 OG1 THR A 23 3.201 11.008 -7.313 1.00 0.49 O ATOM 371 CG2 THR A 23 2.054 8.886 -7.396 1.00 0.59 C ATOM 0 H THR A 23 3.801 11.538 -4.638 1.00 0.43 H new ATOM 0 HA THR A 23 1.534 9.775 -5.069 1.00 0.39 H new ATOM 0 HB THR A 23 4.008 9.229 -6.631 1.00 0.44 H new ATOM 0 HG1 THR A 23 3.492 10.858 -8.237 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.395 8.746 -8.422 1.00 0.59 H new ATOM 0 HG22 THR A 23 1.968 7.916 -6.906 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.081 9.377 -7.401 1.00 0.59 H new ATOM 379 N VAL A 24 2.838 7.848 -4.126 1.00 0.47 N ATOM 380 CA VAL A 24 3.616 6.644 -3.926 1.00 0.56 C ATOM 381 C VAL A 24 3.109 5.601 -4.934 1.00 0.42 C ATOM 382 O VAL A 24 1.997 5.087 -4.838 1.00 0.50 O ATOM 383 CB VAL A 24 3.533 6.126 -2.468 1.00 0.91 C ATOM 384 CG1 VAL A 24 2.148 5.621 -2.152 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.570 5.047 -2.208 1.00 1.61 C ATOM 0 H VAL A 24 1.829 7.726 -4.038 1.00 0.47 H new ATOM 0 HA VAL A 24 4.673 6.852 -4.094 1.00 0.56 H new ATOM 0 HB VAL A 24 3.748 6.965 -1.807 1.00 0.91 H new ATOM 0 HG11 VAL A 24 2.117 5.263 -1.123 1.00 0.97 H new ATOM 0 HG12 VAL A 24 1.428 6.430 -2.277 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.896 4.804 -2.828 1.00 0.97 H new ATOM 0 HG21 VAL A 24 4.487 4.703 -1.177 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.401 4.209 -2.884 1.00 1.61 H new ATOM 0 HG23 VAL A 24 5.568 5.453 -2.376 1.00 1.61 H new ATOM 395 N ASP A 25 3.881 5.389 -5.967 1.00 0.37 N ATOM 396 CA ASP A 25 3.525 4.437 -7.021 1.00 0.37 C ATOM 397 C ASP A 25 4.686 3.527 -7.336 1.00 0.39 C ATOM 398 O ASP A 25 5.813 3.785 -6.914 1.00 0.43 O ATOM 399 CB ASP A 25 3.049 5.159 -8.286 1.00 0.48 C ATOM 400 CG ASP A 25 4.148 5.958 -8.956 1.00 0.80 C ATOM 401 OD1 ASP A 25 4.457 7.068 -8.477 1.00 1.16 O ATOM 402 OD2 ASP A 25 4.688 5.489 -9.978 1.00 1.10 O ATOM 0 H ASP A 25 4.773 5.862 -6.114 1.00 0.37 H new ATOM 0 HA ASP A 25 2.700 3.828 -6.651 1.00 0.37 H new ATOM 0 HB2 ASP A 25 2.658 4.426 -8.991 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.226 5.826 -8.030 1.00 0.48 H new ATOM 407 N GLY A 26 4.420 2.454 -8.069 1.00 0.38 N ATOM 408 CA GLY A 26 5.489 1.533 -8.354 1.00 0.40 C ATOM 409 C GLY A 26 6.334 1.894 -9.555 1.00 0.42 C ATOM 410 O GLY A 26 5.857 2.298 -10.613 1.00 0.52 O ATOM 0 H GLY A 26 3.509 2.213 -8.459 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.136 1.467 -7.479 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.064 0.542 -8.511 1.00 0.40 H new ATOM 414 N THR A 27 7.601 1.696 -9.334 1.00 0.42 N ATOM 415 CA THR A 27 8.676 1.800 -10.295 1.00 0.50 C ATOM 416 C THR A 27 9.642 0.727 -9.878 1.00 0.54 C ATOM 417 O THR A 27 9.698 0.460 -8.679 1.00 0.56 O ATOM 418 CB THR A 27 9.345 3.184 -10.229 1.00 0.57 C ATOM 419 OG1 THR A 27 8.476 4.184 -10.779 1.00 0.67 O ATOM 420 CG2 THR A 27 10.676 3.175 -10.953 1.00 0.70 C ATOM 0 H THR A 27 7.942 1.438 -8.408 1.00 0.42 H new ATOM 0 HA THR A 27 8.328 1.682 -11.321 1.00 0.50 H new ATOM 0 HB THR A 27 9.533 3.425 -9.183 1.00 0.57 H new ATOM 0 HG1 THR A 27 8.913 5.060 -10.729 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.130 4.164 -10.893 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.338 2.443 -10.489 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.520 2.911 -11.999 1.00 0.70 H new ATOM 428 N ARG A 28 10.386 0.049 -10.741 1.00 0.64 N ATOM 429 CA ARG A 28 11.196 -0.957 -10.117 1.00 0.71 C ATOM 430 C ARG A 28 12.475 -0.293 -9.649 1.00 0.65 C ATOM 431 O ARG A 28 13.352 0.103 -10.420 1.00 0.72 O ATOM 432 CB ARG A 28 11.442 -2.154 -11.048 1.00 0.91 C ATOM 433 CG ARG A 28 12.320 -1.873 -12.254 1.00 1.56 C ATOM 434 CD ARG A 28 12.266 -3.015 -13.255 1.00 1.84 C ATOM 435 NE ARG A 28 12.200 -4.327 -12.606 1.00 2.32 N ATOM 436 CZ ARG A 28 13.137 -5.267 -12.722 1.00 2.92 C ATOM 437 NH1 ARG A 28 14.271 -5.000 -13.357 1.00 3.18 N ATOM 438 NH2 ARG A 28 12.950 -6.463 -12.178 1.00 3.76 N ATOM 0 H ARG A 28 10.442 0.160 -11.753 1.00 0.64 H new ATOM 0 HA ARG A 28 10.679 -1.381 -9.256 1.00 0.71 H new ATOM 0 HB2 ARG A 28 11.898 -2.956 -10.467 1.00 0.91 H new ATOM 0 HB3 ARG A 28 10.478 -2.523 -11.400 1.00 0.91 H new ATOM 0 HG2 ARG A 28 11.996 -0.950 -12.735 1.00 1.56 H new ATOM 0 HG3 ARG A 28 13.349 -1.720 -11.929 1.00 1.56 H new ATOM 0 HD2 ARG A 28 11.396 -2.888 -13.900 1.00 1.84 H new ATOM 0 HD3 ARG A 28 13.147 -2.974 -13.896 1.00 1.84 H new ATOM 0 HE ARG A 28 11.385 -4.534 -12.029 1.00 2.32 H new ATOM 0 HH11 ARG A 28 14.426 -4.074 -13.757 1.00 3.18 H new ATOM 0 HH12 ARG A 28 14.988 -5.720 -13.445 1.00 3.18 H new ATOM 0 HH21 ARG A 28 12.088 -6.663 -11.670 1.00 3.76 H new ATOM 0 HH22 ARG A 28 13.668 -7.182 -12.267 1.00 3.76 H new ATOM 452 N ASP A 29 12.515 -0.147 -8.343 1.00 0.68 N ATOM 453 CA ASP A 29 13.654 0.391 -7.634 1.00 0.69 C ATOM 454 C ASP A 29 13.794 -0.247 -6.261 1.00 0.81 C ATOM 455 O ASP A 29 12.903 -0.123 -5.431 1.00 1.48 O ATOM 456 CB ASP A 29 13.494 1.908 -7.485 1.00 1.04 C ATOM 457 CG ASP A 29 14.508 2.523 -6.540 1.00 1.58 C ATOM 458 OD1 ASP A 29 15.699 2.155 -6.623 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.112 3.383 -5.721 1.00 2.20 O ATOM 0 H ASP A 29 11.740 -0.405 -7.732 1.00 0.68 H new ATOM 0 HA ASP A 29 14.554 0.168 -8.207 1.00 0.69 H new ATOM 0 HB2 ASP A 29 13.589 2.375 -8.465 1.00 1.04 H new ATOM 0 HB3 ASP A 29 12.489 2.128 -7.124 1.00 1.04 H new ATOM 464 N ARG A 30 14.884 -0.939 -6.024 1.00 0.62 N ATOM 465 CA ARG A 30 15.293 -1.236 -4.660 1.00 0.91 C ATOM 466 C ARG A 30 16.731 -0.803 -4.521 1.00 1.03 C ATOM 467 O ARG A 30 17.440 -1.182 -3.588 1.00 1.18 O ATOM 468 CB ARG A 30 15.145 -2.715 -4.263 1.00 1.63 C ATOM 469 CG ARG A 30 14.302 -3.575 -5.197 1.00 2.20 C ATOM 470 CD ARG A 30 15.045 -3.917 -6.481 1.00 2.58 C ATOM 471 NE ARG A 30 16.375 -4.471 -6.223 1.00 3.27 N ATOM 472 CZ ARG A 30 17.281 -4.700 -7.171 1.00 3.80 C ATOM 473 NH1 ARG A 30 16.972 -4.516 -8.449 1.00 3.96 N ATOM 474 NH2 ARG A 30 18.487 -5.140 -6.845 1.00 4.57 N ATOM 0 H ARG A 30 15.503 -1.307 -6.747 1.00 0.62 H new ATOM 0 HA ARG A 30 14.630 -0.695 -3.984 1.00 0.91 H new ATOM 0 HB2 ARG A 30 16.140 -3.154 -4.196 1.00 1.63 H new ATOM 0 HB3 ARG A 30 14.708 -2.761 -3.265 1.00 1.63 H new ATOM 0 HG2 ARG A 30 14.018 -4.495 -4.686 1.00 2.20 H new ATOM 0 HG3 ARG A 30 13.379 -3.049 -5.441 1.00 2.20 H new ATOM 0 HD2 ARG A 30 14.460 -4.635 -7.056 1.00 2.58 H new ATOM 0 HD3 ARG A 30 15.140 -3.020 -7.093 1.00 2.58 H new ATOM 0 HE ARG A 30 16.622 -4.695 -5.259 1.00 3.27 H new ATOM 0 HH11 ARG A 30 16.038 -4.198 -8.707 1.00 3.96 H new ATOM 0 HH12 ARG A 30 17.669 -4.692 -9.173 1.00 3.96 H new ATOM 0 HH21 ARG A 30 18.723 -5.304 -5.866 1.00 4.57 H new ATOM 0 HH22 ARG A 30 19.180 -5.315 -7.573 1.00 4.57 H new ATOM 488 N SER A 31 17.139 0.009 -5.478 1.00 1.72 N ATOM 489 CA SER A 31 18.499 0.469 -5.572 1.00 2.60 C ATOM 490 C SER A 31 18.706 1.643 -4.635 1.00 2.41 C ATOM 491 O SER A 31 19.811 1.863 -4.135 1.00 2.90 O ATOM 492 CB SER A 31 18.810 0.863 -7.013 1.00 3.49 C ATOM 493 OG SER A 31 18.457 -0.179 -7.912 1.00 4.00 O ATOM 0 H SER A 31 16.528 0.366 -6.213 1.00 1.72 H new ATOM 0 HA SER A 31 19.178 -0.331 -5.279 1.00 2.60 H new ATOM 0 HB2 SER A 31 18.266 1.771 -7.271 1.00 3.49 H new ATOM 0 HB3 SER A 31 19.872 1.089 -7.111 1.00 3.49 H new ATOM 0 HG SER A 31 18.664 0.097 -8.829 1.00 4.00 H new ATOM 499 N ASP A 32 17.636 2.382 -4.364 1.00 1.76 N ATOM 500 CA ASP A 32 17.710 3.449 -3.415 1.00 1.59 C ATOM 501 C ASP A 32 16.749 3.111 -2.305 1.00 1.18 C ATOM 502 O ASP A 32 16.128 2.046 -2.312 1.00 1.25 O ATOM 503 CB ASP A 32 17.346 4.784 -4.078 1.00 1.59 C ATOM 504 CG ASP A 32 17.808 5.987 -3.275 1.00 1.92 C ATOM 505 OD1 ASP A 32 17.081 6.414 -2.358 1.00 2.37 O ATOM 506 OD2 ASP A 32 18.901 6.515 -3.561 1.00 2.08 O ATOM 0 H ASP A 32 16.720 2.251 -4.793 1.00 1.76 H new ATOM 0 HA ASP A 32 18.721 3.559 -3.023 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.792 4.824 -5.072 1.00 1.59 H new ATOM 0 HB3 ASP A 32 16.265 4.835 -4.211 1.00 1.59 H new ATOM 511 N GLN A 33 16.611 3.996 -1.371 1.00 1.02 N ATOM 512 CA GLN A 33 15.743 3.768 -0.255 1.00 0.76 C ATOM 513 C GLN A 33 14.501 4.633 -0.333 1.00 0.55 C ATOM 514 O GLN A 33 14.359 5.568 0.444 1.00 0.72 O ATOM 515 CB GLN A 33 16.517 4.012 1.020 1.00 1.03 C ATOM 516 CG GLN A 33 17.386 2.837 1.429 1.00 1.73 C ATOM 517 CD GLN A 33 17.594 2.744 2.927 1.00 2.18 C ATOM 518 OE1 GLN A 33 17.559 3.744 3.643 1.00 2.42 O ATOM 519 NE2 GLN A 33 17.816 1.534 3.410 1.00 2.92 N ATOM 0 H GLN A 33 17.093 4.895 -1.357 1.00 1.02 H new ATOM 0 HA GLN A 33 15.397 2.735 -0.270 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.146 4.893 0.892 1.00 1.03 H new ATOM 0 HB3 GLN A 33 15.817 4.235 1.825 1.00 1.03 H new ATOM 0 HG2 GLN A 33 16.929 1.914 1.074 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.356 2.922 0.938 1.00 1.73 H new ATOM 0 HE21 GLN A 33 17.837 0.730 2.782 1.00 2.92 H new ATOM 0 HE22 GLN A 33 17.966 1.404 4.410 1.00 2.92 H new ATOM 528 N HIS A 34 13.614 4.336 -1.274 1.00 0.44 N ATOM 529 CA HIS A 34 12.337 5.036 -1.358 1.00 0.36 C ATOM 530 C HIS A 34 11.201 4.070 -1.075 1.00 0.32 C ATOM 531 O HIS A 34 10.075 4.475 -0.799 1.00 0.37 O ATOM 532 CB HIS A 34 12.131 5.664 -2.744 1.00 0.57 C ATOM 533 CG HIS A 34 13.069 6.787 -3.067 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.332 6.773 -3.554 1.00 1.54 N flip ATOM 535 CD2 HIS A 34 12.736 8.117 -2.915 1.00 1.29 C flip ATOM 536 CE1 HIS A 34 14.732 8.078 -3.687 1.00 1.61 C flip ATOM 537 NE2 HIS A 34 13.754 8.867 -3.295 1.00 1.34 N flip ATOM 0 H HIS A 34 13.753 3.619 -1.986 1.00 0.44 H new ATOM 0 HA HIS A 34 12.345 5.834 -0.615 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.242 4.887 -3.500 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.107 6.032 -2.813 1.00 0.57 H new ATOM 0 HD2 HIS A 34 11.792 8.487 -2.544 1.00 1.29 H new ATOM 0 HE1 HIS A 34 15.694 8.405 -4.054 1.00 1.61 H new ATOM 0 HE2 HIS A 34 13.778 9.887 -3.286 1.00 1.34 H new ATOM 546 N ILE A 35 11.513 2.788 -1.165 1.00 0.38 N ATOM 547 CA ILE A 35 10.504 1.746 -1.126 1.00 0.45 C ATOM 548 C ILE A 35 10.208 1.210 0.284 1.00 0.46 C ATOM 549 O ILE A 35 9.584 0.155 0.409 1.00 0.63 O ATOM 550 CB ILE A 35 10.922 0.587 -2.065 1.00 0.63 C ATOM 551 CG1 ILE A 35 12.290 0.002 -1.675 1.00 1.16 C ATOM 552 CG2 ILE A 35 10.982 1.087 -3.499 1.00 1.51 C ATOM 553 CD1 ILE A 35 12.229 -1.137 -0.679 1.00 2.04 C ATOM 0 H ILE A 35 12.467 2.443 -1.267 1.00 0.38 H new ATOM 0 HA ILE A 35 9.575 2.202 -1.468 1.00 0.45 H new ATOM 0 HB ILE A 35 10.176 -0.202 -1.970 1.00 0.63 H new ATOM 0 HG12 ILE A 35 12.791 -0.349 -2.577 1.00 1.16 H new ATOM 0 HG13 ILE A 35 12.906 0.799 -1.258 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.276 0.270 -4.157 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.001 1.457 -3.797 1.00 1.51 H new ATOM 0 HG23 ILE A 35 11.712 1.893 -3.573 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.239 -1.486 -0.463 1.00 2.04 H new ATOM 0 HD12 ILE A 35 11.760 -0.790 0.242 1.00 2.04 H new ATOM 0 HD13 ILE A 35 11.644 -1.956 -1.098 1.00 2.04 H new ATOM 565 N GLN A 36 10.613 1.912 1.351 1.00 0.38 N ATOM 566 CA GLN A 36 10.486 1.306 2.676 1.00 0.37 C ATOM 567 C GLN A 36 9.358 1.940 3.505 1.00 0.35 C ATOM 568 O GLN A 36 9.497 3.009 4.117 1.00 0.35 O ATOM 569 CB GLN A 36 11.830 1.319 3.443 1.00 0.43 C ATOM 570 CG GLN A 36 12.153 2.600 4.216 1.00 0.52 C ATOM 571 CD GLN A 36 12.765 3.693 3.373 1.00 0.71 C ATOM 572 OE1 GLN A 36 12.609 4.871 3.682 1.00 1.17 O ATOM 573 NE2 GLN A 36 13.464 3.320 2.318 1.00 1.29 N ATOM 0 H GLN A 36 11.011 2.851 1.327 1.00 0.38 H new ATOM 0 HA GLN A 36 10.210 0.264 2.515 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.832 0.485 4.145 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.634 1.137 2.730 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.237 2.977 4.671 1.00 0.52 H new ATOM 0 HG3 GLN A 36 12.837 2.358 5.029 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.567 2.329 2.099 1.00 1.29 H new ATOM 0 HE22 GLN A 36 13.901 4.022 1.721 1.00 1.29 H new ATOM 582 N LEU A 37 8.244 1.242 3.571 1.00 0.36 N ATOM 583 CA LEU A 37 7.128 1.713 4.361 1.00 0.35 C ATOM 584 C LEU A 37 6.906 0.820 5.542 1.00 0.37 C ATOM 585 O LEU A 37 6.963 -0.403 5.442 1.00 0.48 O ATOM 586 CB LEU A 37 5.839 1.840 3.558 1.00 0.38 C ATOM 587 CG LEU A 37 5.584 0.778 2.478 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.098 0.695 2.167 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.357 1.101 1.205 1.00 0.94 C ATOM 0 H LEU A 37 8.088 0.355 3.092 1.00 0.36 H new ATOM 0 HA LEU A 37 7.393 2.714 4.700 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.002 1.822 4.256 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.833 2.819 3.079 1.00 0.38 H new ATOM 0 HG LEU A 37 5.928 -0.183 2.859 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.928 -0.061 1.400 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.552 0.424 3.071 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.747 1.662 1.807 1.00 0.94 H new ATOM 0 HD21 LEU A 37 6.160 0.335 0.455 1.00 0.94 H new ATOM 0 HD22 LEU A 37 6.040 2.072 0.823 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.424 1.128 1.424 1.00 0.94 H new ATOM 601 N GLN A 38 6.624 1.434 6.658 1.00 0.34 N ATOM 602 CA GLN A 38 6.521 0.702 7.883 1.00 0.39 C ATOM 603 C GLN A 38 5.063 0.319 8.067 1.00 0.40 C ATOM 604 O GLN A 38 4.220 1.157 8.377 1.00 0.41 O ATOM 605 CB GLN A 38 7.053 1.561 9.034 1.00 0.45 C ATOM 606 CG GLN A 38 7.490 0.751 10.242 1.00 0.93 C ATOM 607 CD GLN A 38 8.122 1.606 11.324 1.00 1.37 C ATOM 608 OE1 GLN A 38 7.438 2.121 12.205 1.00 2.05 O ATOM 609 NE2 GLN A 38 9.437 1.747 11.271 1.00 2.12 N ATOM 0 H GLN A 38 6.462 2.438 6.741 1.00 0.34 H new ATOM 0 HA GLN A 38 7.121 -0.208 7.865 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.897 2.150 8.677 1.00 0.45 H new ATOM 0 HB3 GLN A 38 6.279 2.265 9.339 1.00 0.45 H new ATOM 0 HG2 GLN A 38 6.627 0.229 10.655 1.00 0.93 H new ATOM 0 HG3 GLN A 38 8.202 -0.011 9.925 1.00 0.93 H new ATOM 0 HE21 GLN A 38 9.968 1.302 10.522 1.00 2.12 H new ATOM 0 HE22 GLN A 38 9.920 2.300 11.979 1.00 2.12 H new ATOM 618 N LEU A 39 4.772 -0.952 7.843 1.00 0.43 N ATOM 619 CA LEU A 39 3.402 -1.422 7.797 1.00 0.46 C ATOM 620 C LEU A 39 3.153 -2.404 8.925 1.00 0.55 C ATOM 621 O LEU A 39 3.589 -3.553 8.882 1.00 0.77 O ATOM 622 CB LEU A 39 3.115 -2.047 6.413 1.00 0.61 C ATOM 623 CG LEU A 39 1.665 -2.495 6.125 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.330 -3.818 6.799 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.676 -1.424 6.549 1.00 1.45 C ATOM 0 H LEU A 39 5.472 -1.678 7.690 1.00 0.43 H new ATOM 0 HA LEU A 39 2.717 -0.585 7.935 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.402 -1.324 5.650 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.766 -2.913 6.292 1.00 0.61 H new ATOM 0 HG LEU A 39 1.585 -2.645 5.048 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.301 -4.093 6.569 1.00 1.75 H new ATOM 0 HD12 LEU A 39 2.003 -4.593 6.434 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.446 -3.716 7.878 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.339 -1.761 6.337 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.780 -1.235 7.618 1.00 1.45 H new ATOM 0 HD23 LEU A 39 0.876 -0.505 5.997 1.00 1.45 H new ATOM 637 N SER A 40 2.508 -1.912 9.957 1.00 0.46 N ATOM 638 CA SER A 40 2.073 -2.741 11.060 1.00 0.56 C ATOM 639 C SER A 40 0.556 -2.845 11.044 1.00 0.42 C ATOM 640 O SER A 40 -0.109 -2.120 10.305 1.00 0.37 O ATOM 641 CB SER A 40 2.547 -2.149 12.388 1.00 0.71 C ATOM 642 OG SER A 40 3.951 -1.947 12.380 1.00 1.38 O ATOM 0 H SER A 40 2.269 -0.925 10.057 1.00 0.46 H new ATOM 0 HA SER A 40 2.505 -3.736 10.953 1.00 0.56 H new ATOM 0 HB2 SER A 40 2.040 -1.201 12.570 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.276 -2.817 13.206 1.00 0.71 H new ATOM 0 HG SER A 40 4.232 -1.566 13.238 1.00 1.38 H new ATOM 648 N ALA A 41 0.016 -3.722 11.864 1.00 0.56 N ATOM 649 CA ALA A 41 -1.412 -3.747 12.098 1.00 0.56 C ATOM 650 C ALA A 41 -1.617 -3.290 13.522 1.00 0.64 C ATOM 651 O ALA A 41 -1.458 -4.058 14.470 1.00 0.84 O ATOM 652 CB ALA A 41 -1.990 -5.141 11.879 1.00 0.89 C ATOM 0 H ALA A 41 0.544 -4.426 12.379 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.931 -3.094 11.396 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -3.064 -5.123 12.063 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.804 -5.455 10.852 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.516 -5.843 12.565 1.00 0.89 H new ATOM 658 N GLU A 42 -1.949 -2.020 13.658 1.00 0.92 N ATOM 659 CA GLU A 42 -1.789 -1.326 14.920 1.00 1.34 C ATOM 660 C GLU A 42 -3.042 -1.461 15.759 1.00 1.34 C ATOM 661 O GLU A 42 -2.979 -1.743 16.959 1.00 1.64 O ATOM 662 CB GLU A 42 -1.459 0.144 14.654 1.00 1.88 C ATOM 663 CG GLU A 42 -0.781 0.842 15.820 1.00 2.46 C ATOM 664 CD GLU A 42 0.594 1.383 15.459 1.00 2.62 C ATOM 665 OE1 GLU A 42 0.677 2.507 14.920 1.00 3.12 O ATOM 666 OE2 GLU A 42 1.601 0.692 15.729 1.00 2.70 O ATOM 0 H GLU A 42 -2.333 -1.447 12.906 1.00 0.92 H new ATOM 0 HA GLU A 42 -0.967 -1.773 15.479 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.813 0.209 13.779 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.379 0.675 14.411 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -1.411 1.662 16.164 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.686 0.143 16.651 1.00 2.46 H new ATOM 673 N SER A 43 -4.182 -1.284 15.117 1.00 1.09 N ATOM 674 CA SER A 43 -5.449 -1.470 15.783 1.00 1.14 C ATOM 675 C SER A 43 -6.100 -2.722 15.231 1.00 1.00 C ATOM 676 O SER A 43 -5.615 -3.285 14.247 1.00 1.09 O ATOM 677 CB SER A 43 -6.344 -0.249 15.577 1.00 1.24 C ATOM 678 OG SER A 43 -5.684 0.938 15.987 1.00 1.59 O ATOM 0 H SER A 43 -4.252 -1.012 14.136 1.00 1.09 H new ATOM 0 HA SER A 43 -5.295 -1.584 16.856 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.622 -0.170 14.526 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.267 -0.370 16.143 1.00 1.24 H new ATOM 0 HG SER A 43 -6.275 1.707 15.844 1.00 1.59 H new ATOM 684 N VAL A 44 -7.177 -3.172 15.853 1.00 0.92 N ATOM 685 CA VAL A 44 -7.835 -4.383 15.402 1.00 0.91 C ATOM 686 C VAL A 44 -8.353 -4.204 13.979 1.00 0.77 C ATOM 687 O VAL A 44 -9.199 -3.351 13.718 1.00 0.79 O ATOM 688 CB VAL A 44 -9.012 -4.776 16.319 1.00 1.07 C ATOM 689 CG1 VAL A 44 -9.627 -6.089 15.862 1.00 1.85 C ATOM 690 CG2 VAL A 44 -8.561 -4.869 17.770 1.00 1.83 C ATOM 0 H VAL A 44 -7.608 -2.723 16.661 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.093 -5.181 15.434 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.772 -3.998 16.251 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -10.456 -6.351 16.520 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.994 -5.983 14.841 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -8.873 -6.876 15.897 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -9.408 -5.147 18.397 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -7.779 -5.623 17.860 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -8.172 -3.903 18.093 1.00 1.83 H new ATOM 700 N GLY A 45 -7.809 -4.987 13.061 1.00 0.73 N ATOM 701 CA GLY A 45 -8.297 -4.993 11.700 1.00 0.67 C ATOM 702 C GLY A 45 -7.656 -3.924 10.841 1.00 0.54 C ATOM 703 O GLY A 45 -7.709 -3.997 9.612 1.00 0.56 O ATOM 0 H GLY A 45 -7.032 -5.623 13.237 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.109 -5.970 11.256 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.377 -4.848 11.706 1.00 0.67 H new ATOM 707 N GLU A 46 -7.048 -2.926 11.474 1.00 0.56 N ATOM 708 CA GLU A 46 -6.436 -1.845 10.721 1.00 0.50 C ATOM 709 C GLU A 46 -4.943 -2.027 10.567 1.00 0.40 C ATOM 710 O GLU A 46 -4.233 -2.394 11.505 1.00 0.48 O ATOM 711 CB GLU A 46 -6.709 -0.470 11.331 1.00 0.75 C ATOM 712 CG GLU A 46 -7.768 -0.466 12.405 1.00 1.02 C ATOM 713 CD GLU A 46 -8.175 0.938 12.807 1.00 1.35 C ATOM 714 OE1 GLU A 46 -7.343 1.657 13.394 1.00 1.67 O ATOM 715 OE2 GLU A 46 -9.334 1.327 12.539 1.00 1.80 O ATOM 0 H GLU A 46 -6.968 -2.846 12.488 1.00 0.56 H new ATOM 0 HA GLU A 46 -6.904 -1.887 9.737 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -5.781 -0.081 11.751 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.011 0.213 10.537 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -8.644 -1.008 12.050 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -7.397 -0.999 13.280 1.00 1.02 H new ATOM 722 N VAL A 47 -4.488 -1.754 9.368 1.00 0.33 N ATOM 723 CA VAL A 47 -3.073 -1.715 9.066 1.00 0.33 C ATOM 724 C VAL A 47 -2.652 -0.280 8.836 1.00 0.33 C ATOM 725 O VAL A 47 -3.396 0.516 8.255 1.00 0.36 O ATOM 726 CB VAL A 47 -2.671 -2.567 7.850 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.762 -4.046 8.182 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.521 -2.232 6.631 1.00 0.48 C ATOM 0 H VAL A 47 -5.089 -1.551 8.569 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.560 -2.146 9.926 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.636 -2.331 7.604 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.474 -4.633 7.310 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.092 -4.275 9.011 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.785 -4.293 8.464 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.211 -2.852 5.790 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.570 -2.423 6.855 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.391 -1.181 6.374 1.00 0.48 H new ATOM 738 N TYR A 48 -1.473 0.053 9.303 1.00 0.34 N ATOM 739 CA TYR A 48 -1.034 1.428 9.306 1.00 0.36 C ATOM 740 C TYR A 48 0.189 1.568 8.421 1.00 0.38 C ATOM 741 O TYR A 48 1.216 0.919 8.640 1.00 0.39 O ATOM 742 CB TYR A 48 -0.711 1.855 10.747 1.00 0.41 C ATOM 743 CG TYR A 48 -0.531 3.350 10.968 1.00 0.55 C ATOM 744 CD1 TYR A 48 -0.502 4.253 9.910 1.00 0.91 C ATOM 745 CD2 TYR A 48 -0.387 3.852 12.254 1.00 1.47 C ATOM 746 CE1 TYR A 48 -0.336 5.608 10.131 1.00 1.00 C ATOM 747 CE2 TYR A 48 -0.221 5.205 12.481 1.00 1.79 C ATOM 748 CZ TYR A 48 -0.196 6.077 11.416 1.00 1.23 C ATOM 749 OH TYR A 48 -0.026 7.423 11.640 1.00 1.60 O ATOM 0 H TYR A 48 -0.799 -0.610 9.686 1.00 0.34 H new ATOM 0 HA TYR A 48 -1.822 2.072 8.917 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.511 1.504 11.398 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.201 1.348 11.061 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -0.611 3.890 8.899 1.00 0.91 H new ATOM 0 HD2 TYR A 48 -0.405 3.172 13.093 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -0.316 6.295 9.298 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -0.111 5.577 13.489 1.00 1.79 H new ATOM 0 HH TYR A 48 -0.857 7.897 11.430 1.00 1.60 H new ATOM 759 N ILE A 49 0.056 2.429 7.428 1.00 0.42 N ATOM 760 CA ILE A 49 1.128 2.721 6.504 1.00 0.44 C ATOM 761 C ILE A 49 1.818 3.994 6.936 1.00 0.42 C ATOM 762 O ILE A 49 1.298 5.097 6.750 1.00 0.52 O ATOM 763 CB ILE A 49 0.614 2.874 5.056 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.026 1.566 4.583 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.749 3.285 4.124 1.00 0.58 C ATOM 766 CD1 ILE A 49 -0.536 1.614 3.159 1.00 1.20 C ATOM 0 H ILE A 49 -0.804 2.946 7.242 1.00 0.42 H new ATOM 0 HA ILE A 49 1.827 1.885 6.518 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.142 3.659 5.036 1.00 0.52 H new ATOM 0 HG12 ILE A 49 0.705 0.763 4.670 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -0.854 1.317 5.247 1.00 0.62 H new ATOM 0 HG21 ILE A 49 1.367 3.388 3.108 1.00 0.58 H new ATOM 0 HG22 ILE A 49 2.164 4.238 4.454 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.529 2.524 4.143 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -0.975 0.651 2.897 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.292 2.394 3.069 1.00 1.20 H new ATOM 0 HD13 ILE A 49 0.291 1.831 2.483 1.00 1.20 H new ATOM 778 N LYS A 50 2.966 3.833 7.545 1.00 0.36 N ATOM 779 CA LYS A 50 3.726 4.958 8.030 1.00 0.37 C ATOM 780 C LYS A 50 5.081 4.965 7.351 1.00 0.35 C ATOM 781 O LYS A 50 5.588 3.918 6.952 1.00 0.36 O ATOM 782 CB LYS A 50 3.854 4.914 9.562 1.00 0.44 C ATOM 783 CG LYS A 50 4.528 3.660 10.098 1.00 0.93 C ATOM 784 CD LYS A 50 4.481 3.592 11.620 1.00 0.88 C ATOM 785 CE LYS A 50 3.062 3.405 12.140 1.00 1.35 C ATOM 786 NZ LYS A 50 3.025 3.234 13.619 1.00 1.86 N ATOM 0 H LYS A 50 3.398 2.925 7.718 1.00 0.36 H new ATOM 0 HA LYS A 50 3.207 5.885 7.786 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.419 5.786 9.893 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.859 4.993 10.000 1.00 0.44 H new ATOM 0 HG2 LYS A 50 4.040 2.779 9.681 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.566 3.636 9.766 1.00 0.93 H new ATOM 0 HD2 LYS A 50 5.105 2.768 11.965 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.902 4.507 12.037 1.00 0.88 H new ATOM 0 HE2 LYS A 50 2.457 4.268 11.860 1.00 1.35 H new ATOM 0 HE3 LYS A 50 2.614 2.533 11.663 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 2.058 2.992 13.916 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 3.674 2.470 13.896 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 3.317 4.120 14.078 1.00 1.86 H new ATOM 800 N SER A 51 5.660 6.134 7.201 1.00 0.40 N ATOM 801 CA SER A 51 6.913 6.259 6.519 1.00 0.39 C ATOM 802 C SER A 51 8.020 5.936 7.466 1.00 0.39 C ATOM 803 O SER A 51 7.983 6.310 8.638 1.00 0.48 O ATOM 804 CB SER A 51 7.117 7.704 6.066 1.00 0.48 C ATOM 805 OG SER A 51 5.909 8.295 5.648 1.00 1.10 O ATOM 0 H SER A 51 5.275 7.013 7.547 1.00 0.40 H new ATOM 0 HA SER A 51 6.913 5.584 5.663 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.542 8.285 6.884 1.00 0.48 H new ATOM 0 HB3 SER A 51 7.837 7.731 5.248 1.00 0.48 H new ATOM 0 HG SER A 51 5.212 7.609 5.590 1.00 1.10 H new ATOM 811 N THR A 52 8.992 5.220 6.963 1.00 0.35 N ATOM 812 CA THR A 52 10.239 5.165 7.640 1.00 0.41 C ATOM 813 C THR A 52 10.951 6.460 7.309 1.00 0.45 C ATOM 814 O THR A 52 10.633 7.497 7.887 1.00 0.53 O ATOM 815 CB THR A 52 11.043 3.938 7.217 1.00 0.43 C ATOM 816 OG1 THR A 52 10.182 2.801 7.292 1.00 0.62 O ATOM 817 CG2 THR A 52 12.245 3.731 8.117 1.00 0.77 C ATOM 0 H THR A 52 8.936 4.679 6.100 1.00 0.35 H new ATOM 0 HA THR A 52 10.108 5.065 8.717 1.00 0.41 H new ATOM 0 HB THR A 52 11.413 4.080 6.202 1.00 0.43 H new ATOM 0 HG1 THR A 52 10.117 2.500 8.223 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.797 2.850 7.790 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.894 4.605 8.065 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.910 3.589 9.144 1.00 0.77 H new ATOM 825 N GLU A 53 11.888 6.440 6.402 1.00 0.46 N ATOM 826 CA GLU A 53 12.443 7.706 5.963 1.00 0.53 C ATOM 827 C GLU A 53 11.672 8.235 4.751 1.00 0.44 C ATOM 828 O GLU A 53 11.272 9.397 4.710 1.00 0.47 O ATOM 829 CB GLU A 53 13.930 7.548 5.639 1.00 0.68 C ATOM 830 CG GLU A 53 14.634 8.858 5.328 1.00 1.43 C ATOM 831 CD GLU A 53 16.140 8.731 5.402 1.00 1.83 C ATOM 832 OE1 GLU A 53 16.767 8.377 4.384 1.00 2.55 O ATOM 833 OE2 GLU A 53 16.705 8.980 6.488 1.00 2.11 O ATOM 0 H GLU A 53 12.275 5.604 5.963 1.00 0.46 H new ATOM 0 HA GLU A 53 12.345 8.432 6.770 1.00 0.53 H new ATOM 0 HB2 GLU A 53 14.427 7.071 6.484 1.00 0.68 H new ATOM 0 HB3 GLU A 53 14.037 6.878 4.786 1.00 0.68 H new ATOM 0 HG2 GLU A 53 14.348 9.194 4.331 1.00 1.43 H new ATOM 0 HG3 GLU A 53 14.301 9.623 6.030 1.00 1.43 H new ATOM 840 N THR A 54 11.467 7.365 3.772 1.00 0.36 N ATOM 841 CA THR A 54 10.703 7.688 2.574 1.00 0.30 C ATOM 842 C THR A 54 9.413 6.880 2.430 1.00 0.31 C ATOM 843 O THR A 54 8.914 6.750 1.318 1.00 0.38 O ATOM 844 CB THR A 54 11.548 7.491 1.311 1.00 0.40 C ATOM 845 OG1 THR A 54 12.074 6.168 1.300 1.00 1.13 O ATOM 846 CG2 THR A 54 12.689 8.495 1.250 1.00 0.93 C ATOM 0 H THR A 54 11.827 6.411 3.786 1.00 0.36 H new ATOM 0 HA THR A 54 10.426 8.736 2.689 1.00 0.30 H new ATOM 0 HB THR A 54 10.911 7.649 0.441 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.051 6.205 1.233 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.271 8.330 0.343 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.283 9.507 1.242 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.332 8.369 2.121 1.00 0.93 H new ATOM 854 N GLY A 55 8.858 6.316 3.495 1.00 0.33 N ATOM 855 CA GLY A 55 8.051 5.129 3.265 1.00 0.40 C ATOM 856 C GLY A 55 6.592 5.346 2.943 1.00 0.46 C ATOM 857 O GLY A 55 5.996 4.452 2.360 1.00 0.56 O ATOM 0 H GLY A 55 8.941 6.633 4.461 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.499 4.568 2.445 1.00 0.40 H new ATOM 0 HA3 GLY A 55 8.112 4.500 4.153 1.00 0.40 H new ATOM 861 N GLN A 56 6.030 6.495 3.309 1.00 0.43 N ATOM 862 CA GLN A 56 4.839 7.051 2.646 1.00 0.54 C ATOM 863 C GLN A 56 4.023 7.948 3.561 1.00 0.56 C ATOM 864 O GLN A 56 3.632 7.566 4.666 1.00 0.63 O ATOM 865 CB GLN A 56 3.900 5.995 2.047 1.00 0.81 C ATOM 866 CG GLN A 56 2.614 6.588 1.515 1.00 0.91 C ATOM 867 CD GLN A 56 2.830 7.730 0.530 1.00 1.20 C ATOM 868 OE1 GLN A 56 3.865 8.383 0.502 1.00 2.18 O ATOM 869 NE2 GLN A 56 1.824 8.039 -0.235 1.00 1.06 N ATOM 0 H GLN A 56 6.382 7.072 4.073 1.00 0.43 H new ATOM 0 HA GLN A 56 5.258 7.637 1.829 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.415 5.473 1.240 1.00 0.81 H new ATOM 0 HB3 GLN A 56 3.664 5.251 2.808 1.00 0.81 H new ATOM 0 HG2 GLN A 56 2.036 5.803 1.027 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.017 6.950 2.352 1.00 0.91 H new ATOM 0 HE21 GLN A 56 0.968 7.485 -0.200 1.00 1.06 H new ATOM 0 HE22 GLN A 56 1.891 8.835 -0.869 1.00 1.06 H new ATOM 878 N TYR A 57 3.670 9.095 3.028 1.00 0.57 N ATOM 879 CA TYR A 57 2.869 10.054 3.724 1.00 0.62 C ATOM 880 C TYR A 57 1.505 10.056 3.061 1.00 0.59 C ATOM 881 O TYR A 57 1.094 11.029 2.436 1.00 0.67 O ATOM 882 CB TYR A 57 3.541 11.419 3.646 1.00 0.76 C ATOM 883 CG TYR A 57 4.941 11.442 4.228 1.00 1.77 C ATOM 884 CD1 TYR A 57 6.038 11.044 3.468 1.00 2.59 C ATOM 885 CD2 TYR A 57 5.169 11.863 5.531 1.00 2.17 C ATOM 886 CE1 TYR A 57 7.314 11.060 3.993 1.00 3.64 C ATOM 887 CE2 TYR A 57 6.444 11.882 6.062 1.00 3.20 C ATOM 888 CZ TYR A 57 7.512 11.481 5.289 1.00 3.91 C ATOM 889 OH TYR A 57 8.782 11.497 5.814 1.00 4.98 O ATOM 0 H TYR A 57 3.938 9.384 2.087 1.00 0.57 H new ATOM 0 HA TYR A 57 2.759 9.808 4.780 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.585 11.734 2.603 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.926 12.148 4.173 1.00 0.76 H new ATOM 0 HD1 TYR A 57 5.887 10.717 2.450 1.00 2.59 H new ATOM 0 HD2 TYR A 57 4.336 12.181 6.140 1.00 2.17 H new ATOM 0 HE1 TYR A 57 8.153 10.744 3.391 1.00 3.64 H new ATOM 0 HE2 TYR A 57 6.603 12.210 7.079 1.00 3.20 H new ATOM 0 HH TYR A 57 8.750 11.821 6.738 1.00 4.98 H new ATOM 899 N LEU A 58 0.836 8.922 3.183 1.00 0.55 N ATOM 900 CA LEU A 58 -0.364 8.638 2.407 1.00 0.58 C ATOM 901 C LEU A 58 -1.618 9.287 2.971 1.00 0.56 C ATOM 902 O LEU A 58 -1.804 9.412 4.182 1.00 0.72 O ATOM 903 CB LEU A 58 -0.574 7.127 2.304 1.00 0.70 C ATOM 904 CG LEU A 58 -0.774 6.603 0.881 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.553 5.099 0.832 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.163 6.937 0.364 1.00 1.85 C ATOM 0 H LEU A 58 1.107 8.173 3.820 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.201 9.071 1.420 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.287 6.624 2.744 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.443 6.853 2.902 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.041 7.093 0.240 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.699 4.743 -0.188 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.463 4.870 1.154 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -1.264 4.605 1.494 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.276 6.552 -0.650 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.912 6.480 1.011 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.299 8.018 0.359 1.00 1.85 H new ATOM 918 N ALA A 59 -2.461 9.693 2.041 1.00 0.47 N ATOM 919 CA ALA A 59 -3.759 10.266 2.318 1.00 0.46 C ATOM 920 C ALA A 59 -4.780 9.702 1.324 1.00 0.46 C ATOM 921 O ALA A 59 -4.609 9.824 0.108 1.00 0.51 O ATOM 922 CB ALA A 59 -3.691 11.785 2.221 1.00 0.54 C ATOM 0 H ALA A 59 -2.253 9.630 1.044 1.00 0.47 H new ATOM 0 HA ALA A 59 -4.068 10.006 3.330 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.674 12.207 2.431 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.970 12.164 2.946 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -3.380 12.072 1.216 1.00 0.54 H new ATOM 928 N MET A 60 -5.811 9.049 1.832 1.00 0.48 N ATOM 929 CA MET A 60 -6.866 8.514 0.990 1.00 0.52 C ATOM 930 C MET A 60 -7.924 9.579 0.726 1.00 0.55 C ATOM 931 O MET A 60 -8.517 10.112 1.666 1.00 0.74 O ATOM 932 CB MET A 60 -7.520 7.319 1.685 1.00 0.66 C ATOM 933 CG MET A 60 -8.743 6.792 0.958 1.00 1.76 C ATOM 934 SD MET A 60 -8.351 6.097 -0.654 1.00 2.80 S ATOM 935 CE MET A 60 -8.019 4.397 -0.201 1.00 3.74 C ATOM 0 H MET A 60 -5.940 8.876 2.829 1.00 0.48 H new ATOM 0 HA MET A 60 -6.431 8.199 0.042 1.00 0.52 H new ATOM 0 HB2 MET A 60 -6.788 6.517 1.777 1.00 0.66 H new ATOM 0 HB3 MET A 60 -7.805 7.608 2.697 1.00 0.66 H new ATOM 0 HG2 MET A 60 -9.223 6.029 1.570 1.00 1.76 H new ATOM 0 HG3 MET A 60 -9.463 7.601 0.834 1.00 1.76 H new ATOM 0 HE1 MET A 60 -6.947 4.207 -0.261 1.00 3.74 H new ATOM 0 HE2 MET A 60 -8.362 4.218 0.818 1.00 3.74 H new ATOM 0 HE3 MET A 60 -8.545 3.729 -0.883 1.00 3.74 H new ATOM 945 N ASP A 61 -8.182 9.876 -0.542 1.00 0.51 N ATOM 946 CA ASP A 61 -9.138 10.916 -0.875 1.00 0.56 C ATOM 947 C ASP A 61 -10.209 10.393 -1.785 1.00 0.56 C ATOM 948 O ASP A 61 -9.947 9.685 -2.765 1.00 0.64 O ATOM 949 CB ASP A 61 -8.475 12.142 -1.485 1.00 0.71 C ATOM 950 CG ASP A 61 -9.477 13.099 -2.102 1.00 1.02 C ATOM 951 OD1 ASP A 61 -10.254 13.722 -1.344 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.505 13.223 -3.343 1.00 1.34 O ATOM 0 H ASP A 61 -7.748 9.417 -1.343 1.00 0.51 H new ATOM 0 HA ASP A 61 -9.596 11.229 0.063 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.906 12.664 -0.716 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.764 11.825 -2.248 1.00 0.71 H new ATOM 957 N THR A 62 -11.429 10.702 -1.398 1.00 0.65 N ATOM 958 CA THR A 62 -12.620 10.224 -2.062 1.00 0.83 C ATOM 959 C THR A 62 -12.789 8.725 -1.797 1.00 0.87 C ATOM 960 O THR A 62 -13.885 8.181 -1.940 1.00 1.31 O ATOM 961 CB THR A 62 -12.556 10.513 -3.570 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.196 11.886 -3.789 1.00 1.47 O ATOM 963 CG2 THR A 62 -13.888 10.228 -4.233 1.00 1.55 C ATOM 0 H THR A 62 -11.622 11.304 -0.598 1.00 0.65 H new ATOM 0 HA THR A 62 -13.486 10.751 -1.662 1.00 0.83 H new ATOM 0 HB THR A 62 -11.802 9.861 -4.010 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.222 11.980 -3.745 1.00 1.47 H new ATOM 0 HG21 THR A 62 -13.816 10.440 -5.300 1.00 1.55 H new ATOM 0 HG22 THR A 62 -14.149 9.180 -4.089 1.00 1.55 H new ATOM 0 HG23 THR A 62 -14.658 10.859 -3.788 1.00 1.55 H new ATOM 971 N ASP A 63 -11.658 8.100 -1.416 1.00 0.78 N ATOM 972 CA ASP A 63 -11.553 6.703 -1.001 1.00 0.88 C ATOM 973 C ASP A 63 -11.241 5.870 -2.223 1.00 0.87 C ATOM 974 O ASP A 63 -11.211 4.643 -2.200 1.00 0.96 O ATOM 975 CB ASP A 63 -12.814 6.251 -0.284 1.00 1.05 C ATOM 976 CG ASP A 63 -12.646 4.966 0.485 1.00 1.19 C ATOM 977 OD1 ASP A 63 -11.937 4.985 1.507 1.00 1.54 O ATOM 978 OD2 ASP A 63 -13.273 3.962 0.114 1.00 1.42 O ATOM 0 H ASP A 63 -10.760 8.582 -1.391 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.745 6.578 -0.280 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -13.132 7.036 0.402 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.612 6.125 -1.016 1.00 1.05 H new ATOM 983 N GLY A 64 -10.970 6.596 -3.293 1.00 0.82 N ATOM 984 CA GLY A 64 -10.725 5.985 -4.576 1.00 0.89 C ATOM 985 C GLY A 64 -9.315 6.203 -5.032 1.00 0.90 C ATOM 986 O GLY A 64 -8.607 5.270 -5.387 1.00 1.17 O ATOM 0 H GLY A 64 -10.915 7.615 -3.293 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -10.927 4.916 -4.514 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.414 6.397 -5.313 1.00 0.89 H new ATOM 990 N LEU A 65 -8.917 7.455 -5.037 1.00 0.72 N ATOM 991 CA LEU A 65 -7.565 7.809 -5.418 1.00 0.71 C ATOM 992 C LEU A 65 -6.766 8.120 -4.175 1.00 0.67 C ATOM 993 O LEU A 65 -7.083 9.055 -3.437 1.00 0.79 O ATOM 994 CB LEU A 65 -7.536 8.997 -6.385 1.00 0.74 C ATOM 995 CG LEU A 65 -7.911 8.679 -7.839 1.00 1.41 C ATOM 996 CD1 LEU A 65 -9.395 8.366 -7.974 1.00 2.03 C ATOM 997 CD2 LEU A 65 -7.520 9.834 -8.748 1.00 2.04 C ATOM 0 H LEU A 65 -9.508 8.246 -4.782 1.00 0.72 H new ATOM 0 HA LEU A 65 -7.122 6.962 -5.941 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -8.217 9.762 -6.012 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -6.535 9.428 -6.373 1.00 0.74 H new ATOM 0 HG LEU A 65 -7.358 7.790 -8.144 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -9.627 8.145 -9.016 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -9.642 7.503 -7.356 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -9.979 9.226 -7.646 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -7.791 9.596 -9.776 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -8.044 10.737 -8.435 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -6.444 9.998 -8.685 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.747 7.324 -3.922 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.987 7.497 -2.699 1.00 0.68 C ATOM 1011 C LEU A 66 -3.558 7.922 -2.998 1.00 0.63 C ATOM 1012 O LEU A 66 -2.737 7.158 -3.542 1.00 0.73 O ATOM 1013 CB LEU A 66 -5.039 6.232 -1.820 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.982 4.878 -2.545 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -4.651 3.771 -1.564 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -6.306 4.550 -3.227 1.00 1.56 C ATOM 0 H LEU A 66 -5.431 6.568 -4.530 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.452 8.301 -2.128 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -4.209 6.274 -1.115 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -5.957 6.264 -1.233 1.00 0.90 H new ATOM 0 HG LEU A 66 -4.204 4.951 -3.305 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -4.614 2.817 -2.091 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -3.683 3.970 -1.104 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -5.418 3.729 -0.791 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -6.228 3.586 -3.729 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -7.099 4.507 -2.480 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -6.539 5.323 -3.960 1.00 1.56 H new ATOM 1028 N TYR A 67 -3.263 9.152 -2.607 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.989 9.768 -2.925 1.00 0.63 C ATOM 1030 C TYR A 67 -1.369 10.307 -1.655 1.00 0.70 C ATOM 1031 O TYR A 67 -2.084 10.735 -0.767 1.00 0.98 O ATOM 1032 CB TYR A 67 -2.194 10.897 -3.946 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.988 12.076 -3.415 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -4.376 12.029 -3.336 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -2.346 13.234 -2.987 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -5.100 13.098 -2.846 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -3.065 14.308 -2.495 1.00 1.16 C ATOM 1038 CZ TYR A 67 -4.440 14.235 -2.427 1.00 1.21 C ATOM 1039 OH TYR A 67 -5.161 15.303 -1.935 1.00 1.64 O ATOM 0 H TYR A 67 -3.894 9.744 -2.066 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.320 9.027 -3.363 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -1.219 11.251 -4.281 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.704 10.493 -4.820 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.896 11.141 -3.664 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -1.269 13.295 -3.040 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -6.177 13.044 -2.791 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.552 15.199 -2.166 1.00 1.16 H new ATOM 0 HH TYR A 67 -4.547 16.024 -1.682 1.00 1.64 H new ATOM 1049 N GLY A 68 -0.058 10.365 -1.591 1.00 0.66 N ATOM 1050 CA GLY A 68 0.572 10.798 -0.368 1.00 0.80 C ATOM 1051 C GLY A 68 1.994 11.221 -0.575 1.00 0.81 C ATOM 1052 O GLY A 68 2.746 10.524 -1.253 1.00 0.85 O ATOM 0 H GLY A 68 0.578 10.124 -2.351 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.007 11.629 0.054 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.539 9.988 0.361 1.00 0.80 H new ATOM 1056 N SER A 69 2.356 12.367 -0.029 1.00 0.91 N ATOM 1057 CA SER A 69 3.758 12.778 -0.045 1.00 1.08 C ATOM 1058 C SER A 69 4.171 13.617 1.163 1.00 1.38 C ATOM 1059 O SER A 69 5.197 13.361 1.781 1.00 1.62 O ATOM 1060 CB SER A 69 4.076 13.559 -1.314 1.00 1.08 C ATOM 1061 OG SER A 69 4.033 12.720 -2.451 1.00 1.39 O ATOM 0 H SER A 69 1.718 13.022 0.424 1.00 0.91 H new ATOM 0 HA SER A 69 4.329 11.850 -0.008 1.00 1.08 H new ATOM 0 HB2 SER A 69 3.362 14.374 -1.432 1.00 1.08 H new ATOM 0 HB3 SER A 69 5.064 14.011 -1.229 1.00 1.08 H new ATOM 0 HG SER A 69 4.946 12.530 -2.752 1.00 1.39 H new ATOM 1067 N GLN A 70 3.385 14.634 1.477 1.00 1.49 N ATOM 1068 CA GLN A 70 3.807 15.619 2.478 1.00 1.85 C ATOM 1069 C GLN A 70 3.527 15.181 3.912 1.00 1.93 C ATOM 1070 O GLN A 70 4.376 15.306 4.796 1.00 2.19 O ATOM 1071 CB GLN A 70 3.084 16.941 2.215 1.00 2.07 C ATOM 1072 CG GLN A 70 3.343 17.523 0.835 1.00 2.63 C ATOM 1073 CD GLN A 70 4.767 18.006 0.667 1.00 3.22 C ATOM 1074 OE1 GLN A 70 5.647 17.257 0.241 1.00 3.66 O ATOM 1075 NE2 GLN A 70 4.997 19.265 0.992 1.00 3.79 N ATOM 0 H GLN A 70 2.467 14.804 1.066 1.00 1.49 H new ATOM 0 HA GLN A 70 4.887 15.727 2.380 1.00 1.85 H new ATOM 0 HB2 GLN A 70 2.012 16.788 2.338 1.00 2.07 H new ATOM 0 HB3 GLN A 70 3.391 17.667 2.968 1.00 2.07 H new ATOM 0 HG2 GLN A 70 3.128 16.767 0.079 1.00 2.63 H new ATOM 0 HG3 GLN A 70 2.658 18.353 0.660 1.00 2.63 H new ATOM 0 HE21 GLN A 70 4.237 19.849 1.341 1.00 3.79 H new ATOM 0 HE22 GLN A 70 5.935 19.654 0.894 1.00 3.79 H new ATOM 1084 N THR A 71 2.330 14.674 4.133 1.00 1.75 N ATOM 1085 CA THR A 71 1.883 14.304 5.471 1.00 1.78 C ATOM 1086 C THR A 71 1.224 12.932 5.456 1.00 1.56 C ATOM 1087 O THR A 71 0.570 12.591 4.478 1.00 1.63 O ATOM 1088 CB THR A 71 0.889 15.360 6.013 1.00 1.94 C ATOM 1089 OG1 THR A 71 1.503 16.655 5.991 1.00 2.26 O ATOM 1090 CG2 THR A 71 0.442 15.041 7.434 1.00 2.31 C ATOM 0 H THR A 71 1.641 14.506 3.400 1.00 1.75 H new ATOM 0 HA THR A 71 2.754 14.265 6.125 1.00 1.78 H new ATOM 0 HB THR A 71 0.009 15.346 5.370 1.00 1.94 H new ATOM 0 HG1 THR A 71 0.872 17.322 6.333 1.00 2.26 H new ATOM 0 HG21 THR A 71 -0.255 15.806 7.777 1.00 2.31 H new ATOM 0 HG22 THR A 71 -0.050 14.069 7.451 1.00 2.31 H new ATOM 0 HG23 THR A 71 1.310 15.020 8.092 1.00 2.31 H new ATOM 1098 N PRO A 72 1.331 12.143 6.534 1.00 1.41 N ATOM 1099 CA PRO A 72 0.560 10.931 6.671 1.00 1.20 C ATOM 1100 C PRO A 72 -0.486 11.086 7.772 1.00 1.04 C ATOM 1101 O PRO A 72 -0.193 11.031 8.971 1.00 1.06 O ATOM 1102 CB PRO A 72 1.639 9.945 7.116 1.00 1.31 C ATOM 1103 CG PRO A 72 2.644 10.780 7.876 1.00 1.49 C ATOM 1104 CD PRO A 72 2.311 12.240 7.616 1.00 1.53 C ATOM 0 HA PRO A 72 0.016 10.641 5.772 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.221 9.160 7.747 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.101 9.453 6.260 1.00 1.31 H new ATOM 0 HG2 PRO A 72 2.598 10.560 8.943 1.00 1.49 H new ATOM 0 HG3 PRO A 72 3.658 10.553 7.547 1.00 1.49 H new ATOM 0 HD2 PRO A 72 1.897 12.727 8.499 1.00 1.53 H new ATOM 0 HD3 PRO A 72 3.190 12.812 7.320 1.00 1.53 H new ATOM 1112 N ASN A 73 -1.717 11.285 7.335 1.00 0.94 N ATOM 1113 CA ASN A 73 -2.811 11.604 8.235 1.00 0.86 C ATOM 1114 C ASN A 73 -3.426 10.284 8.547 1.00 0.68 C ATOM 1115 O ASN A 73 -3.051 9.293 7.893 1.00 0.71 O ATOM 1116 CB ASN A 73 -3.814 12.530 7.527 1.00 0.98 C ATOM 1117 CG ASN A 73 -4.778 13.234 8.469 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -5.063 12.765 9.570 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -5.306 14.364 8.026 1.00 2.17 N ATOM 0 H ASN A 73 -1.985 11.231 6.352 1.00 0.94 H new ATOM 0 HA ASN A 73 -2.488 12.125 9.136 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -3.263 13.280 6.961 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -4.387 11.945 6.808 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -5.973 14.876 8.603 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -5.046 14.723 7.107 1.00 2.17 H new ATOM 1126 N GLU A 74 -4.444 10.176 9.368 1.00 0.59 N ATOM 1127 CA GLU A 74 -5.065 8.937 9.196 1.00 0.47 C ATOM 1128 C GLU A 74 -6.242 9.217 8.336 1.00 0.52 C ATOM 1129 O GLU A 74 -7.328 9.634 8.726 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.480 8.314 10.532 1.00 0.49 C ATOM 1131 CG GLU A 74 -4.314 7.815 11.379 1.00 1.15 C ATOM 1132 CD GLU A 74 -3.416 8.925 11.884 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -3.879 9.738 12.707 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -2.237 8.982 11.477 1.00 2.11 O ATOM 0 H GLU A 74 -4.803 10.836 10.058 1.00 0.59 H new ATOM 0 HA GLU A 74 -4.391 8.209 8.743 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -6.041 9.052 11.105 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -6.155 7.481 10.337 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -4.706 7.259 12.231 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -3.719 7.117 10.789 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.892 8.949 7.115 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.678 8.546 6.016 1.00 0.52 C ATOM 1143 C GLU A 75 -5.894 7.408 5.396 1.00 0.40 C ATOM 1144 O GLU A 75 -6.375 6.708 4.515 1.00 0.47 O ATOM 1145 CB GLU A 75 -6.774 9.684 5.024 1.00 0.69 C ATOM 1146 CG GLU A 75 -7.400 10.944 5.596 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.510 12.053 4.578 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -6.511 12.762 4.360 1.00 2.16 O ATOM 1149 OE2 GLU A 75 -8.600 12.219 3.997 1.00 1.69 O ATOM 0 H GLU A 75 -4.911 9.022 6.844 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.690 8.259 6.302 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -5.775 9.920 4.658 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -7.359 9.356 4.165 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -8.393 10.709 5.981 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -6.804 11.290 6.441 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.596 7.336 5.799 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.691 6.326 5.292 1.00 0.47 C ATOM 1158 C CYS A 76 -4.094 4.922 5.767 1.00 0.40 C ATOM 1159 O CYS A 76 -3.583 3.919 5.276 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.260 6.623 5.736 1.00 0.68 C ATOM 1161 SG CYS A 76 -2.001 6.541 7.520 1.00 1.40 S ATOM 0 H CYS A 76 -4.175 7.975 6.473 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.748 6.351 4.204 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.588 5.916 5.251 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.983 7.617 5.386 1.00 0.68 H new ATOM 0 HG CYS A 76 -2.396 7.652 8.067 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.018 4.872 6.723 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.403 3.631 7.373 1.00 0.46 C ATOM 1169 C LEU A 77 -6.387 2.866 6.522 1.00 0.39 C ATOM 1170 O LEU A 77 -7.431 3.396 6.125 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.046 3.904 8.736 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.127 4.491 9.803 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -5.897 4.700 11.097 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -3.934 3.582 10.036 1.00 1.59 C ATOM 0 H LEU A 77 -5.518 5.692 7.066 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.497 3.041 7.509 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -6.883 4.586 8.590 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -6.459 2.969 9.115 1.00 0.66 H new ATOM 0 HG LEU A 77 -4.759 5.456 9.455 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -5.232 5.119 11.852 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -6.725 5.387 10.921 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -6.287 3.744 11.447 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -3.289 4.016 10.800 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -4.281 2.604 10.368 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -3.373 3.472 9.108 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.066 1.622 6.245 1.00 0.39 N ATOM 1187 CA PHE A 78 -6.987 0.775 5.533 1.00 0.39 C ATOM 1188 C PHE A 78 -7.182 -0.520 6.317 1.00 0.36 C ATOM 1189 O PHE A 78 -6.378 -0.851 7.190 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.509 0.478 4.102 1.00 0.53 C ATOM 1191 CG PHE A 78 -5.802 1.619 3.420 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -6.472 2.799 3.133 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.471 1.505 3.054 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -5.826 3.843 2.497 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -3.822 2.545 2.415 1.00 0.78 C ATOM 1196 CZ PHE A 78 -4.501 3.716 2.136 1.00 0.84 C ATOM 0 H PHE A 78 -5.183 1.181 6.500 1.00 0.39 H new ATOM 0 HA PHE A 78 -7.938 1.299 5.443 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.839 -0.381 4.129 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.370 0.191 3.499 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -7.511 2.904 3.410 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -3.934 0.593 3.270 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -6.359 4.758 2.283 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -2.784 2.442 2.134 1.00 0.78 H new ATOM 0 HZ PHE A 78 -3.995 4.529 1.637 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.257 -1.230 6.025 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.569 -2.473 6.721 1.00 0.37 C ATOM 1208 C LEU A 79 -7.930 -3.625 5.960 1.00 0.35 C ATOM 1209 O LEU A 79 -8.014 -3.675 4.743 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.096 -2.643 6.815 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.613 -3.652 7.852 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -12.086 -3.400 8.136 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -10.421 -5.088 7.380 1.00 1.09 C ATOM 0 H LEU A 79 -8.934 -0.968 5.308 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.172 -2.456 7.736 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.534 -1.670 7.038 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.467 -2.942 5.834 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.034 -3.515 8.765 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.443 -4.120 8.872 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -12.214 -2.390 8.525 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -12.658 -3.509 7.215 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -10.798 -5.774 8.139 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -10.967 -5.241 6.449 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -9.361 -5.278 7.214 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.283 -4.541 6.648 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.575 -5.600 5.945 1.00 0.42 C ATOM 1227 C GLU A 80 -7.399 -6.878 5.878 1.00 0.40 C ATOM 1228 O GLU A 80 -7.866 -7.400 6.893 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.206 -5.887 6.569 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.436 -6.974 5.828 1.00 0.97 C ATOM 1231 CD GLU A 80 -2.996 -7.108 6.278 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -2.764 -7.634 7.387 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -2.090 -6.720 5.505 1.00 2.07 O ATOM 0 H GLU A 80 -7.229 -4.580 7.666 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.414 -5.241 4.929 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -4.616 -4.971 6.576 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.341 -6.188 7.608 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.943 -7.928 5.970 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -4.456 -6.758 4.760 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.568 -7.363 4.659 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.258 -8.609 4.404 1.00 0.39 C ATOM 1242 C ARG A 81 -7.233 -9.691 4.122 1.00 0.48 C ATOM 1243 O ARG A 81 -6.316 -9.495 3.329 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.209 -8.471 3.211 1.00 0.56 C ATOM 1245 CG ARG A 81 -9.772 -9.801 2.733 1.00 0.76 C ATOM 1246 CD ARG A 81 -10.467 -9.678 1.387 1.00 1.34 C ATOM 1247 NE ARG A 81 -11.748 -8.978 1.475 1.00 2.05 N ATOM 1248 CZ ARG A 81 -12.632 -8.928 0.479 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -12.367 -9.525 -0.679 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -13.784 -8.291 0.640 1.00 3.75 N ATOM 0 H ARG A 81 -7.228 -6.899 3.817 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.849 -8.874 5.281 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.033 -7.813 3.487 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.680 -7.991 2.387 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -8.965 -10.530 2.658 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.478 -10.182 3.471 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -9.815 -9.148 0.693 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -10.629 -10.674 0.974 1.00 1.34 H new ATOM 0 HE ARG A 81 -11.978 -8.502 2.347 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -11.486 -10.023 -0.806 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -13.045 -9.486 -1.440 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -13.996 -7.837 1.529 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -14.458 -8.255 -0.125 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.376 -10.819 4.774 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.435 -11.904 4.605 1.00 0.82 C ATOM 1266 C LEU A 82 -6.972 -12.949 3.645 1.00 0.66 C ATOM 1267 O LEU A 82 -7.946 -13.647 3.932 1.00 0.84 O ATOM 1268 CB LEU A 82 -6.084 -12.535 5.951 1.00 1.25 C ATOM 1269 CG LEU A 82 -5.287 -11.629 6.890 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -5.021 -12.328 8.212 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -3.978 -11.205 6.239 1.00 1.65 C ATOM 0 H LEU A 82 -8.135 -11.012 5.428 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.523 -11.490 4.175 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -7.007 -12.832 6.450 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.511 -13.445 5.773 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.880 -10.736 7.088 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -4.453 -11.666 8.866 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -5.969 -12.581 8.687 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -4.450 -13.239 8.033 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -3.424 -10.561 6.922 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.382 -12.089 6.010 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.189 -10.662 5.318 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.339 -13.015 2.494 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.607 -14.048 1.513 1.00 0.82 C ATOM 1285 C GLU A 83 -5.747 -15.257 1.862 1.00 1.29 C ATOM 1286 O GLU A 83 -4.752 -15.127 2.587 1.00 2.03 O ATOM 1287 CB GLU A 83 -6.292 -13.522 0.101 1.00 1.39 C ATOM 1288 CG GLU A 83 -6.510 -14.533 -1.021 1.00 1.89 C ATOM 1289 CD GLU A 83 -7.926 -15.071 -1.080 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -8.214 -16.073 -0.390 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -8.755 -14.510 -1.830 1.00 2.48 O ATOM 0 H GLU A 83 -5.619 -12.350 2.209 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.658 -14.336 1.526 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -6.912 -12.646 -0.092 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -5.254 -13.190 0.075 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -6.267 -14.064 -1.975 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -5.818 -15.365 -0.890 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.109 -16.423 1.365 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.408 -17.633 1.738 1.00 1.78 C ATOM 1300 C GLU A 84 -4.263 -17.873 0.761 1.00 1.46 C ATOM 1301 O GLU A 84 -4.153 -17.181 -0.240 1.00 1.49 O ATOM 1302 CB GLU A 84 -6.379 -18.819 1.786 1.00 2.65 C ATOM 1303 CG GLU A 84 -5.824 -20.027 2.525 1.00 3.44 C ATOM 1304 CD GLU A 84 -5.054 -19.630 3.768 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -5.686 -19.288 4.791 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -3.807 -19.646 3.717 1.00 4.35 O ATOM 0 H GLU A 84 -6.877 -16.557 0.708 1.00 1.26 H new ATOM 0 HA GLU A 84 -4.986 -17.524 2.737 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -7.304 -18.502 2.267 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -6.634 -19.111 0.767 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -6.644 -20.690 2.803 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -5.171 -20.590 1.859 1.00 3.44 H new ATOM 1313 N ASN A 85 -3.375 -18.803 1.100 1.00 1.98 N ATOM 1314 CA ASN A 85 -2.099 -18.976 0.393 1.00 2.36 C ATOM 1315 C ASN A 85 -1.225 -17.765 0.644 1.00 1.83 C ATOM 1316 O ASN A 85 -0.210 -17.533 -0.009 1.00 2.36 O ATOM 1317 CB ASN A 85 -2.277 -19.234 -1.109 1.00 3.24 C ATOM 1318 CG ASN A 85 -2.960 -20.556 -1.398 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -2.309 -21.597 -1.485 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -4.276 -20.526 -1.555 1.00 4.33 N ATOM 0 H ASN A 85 -3.514 -19.458 1.869 1.00 1.98 H new ATOM 0 HA ASN A 85 -1.614 -19.868 0.788 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -2.862 -18.424 -1.546 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -1.301 -19.220 -1.594 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -4.785 -21.387 -1.756 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -4.779 -19.642 -1.475 1.00 4.33 H new ATOM 1327 N HIS A 86 -1.688 -17.012 1.618 1.00 1.13 N ATOM 1328 CA HIS A 86 -0.969 -15.888 2.217 1.00 1.29 C ATOM 1329 C HIS A 86 -0.848 -14.696 1.275 1.00 1.07 C ATOM 1330 O HIS A 86 0.234 -14.145 1.089 1.00 1.43 O ATOM 1331 CB HIS A 86 0.407 -16.324 2.730 1.00 2.00 C ATOM 1332 CG HIS A 86 0.325 -17.324 3.843 1.00 2.54 C ATOM 1333 ND1 HIS A 86 1.015 -18.512 3.839 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -0.385 -17.309 4.994 1.00 3.02 C ATOM 1335 CE1 HIS A 86 0.731 -19.187 4.935 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -0.119 -18.480 5.657 1.00 3.81 N ATOM 0 H HIS A 86 -2.606 -17.164 2.035 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.565 -15.556 3.067 1.00 1.29 H new ATOM 0 HB2 HIS A 86 0.978 -16.752 1.906 1.00 2.00 H new ATOM 0 HB3 HIS A 86 0.955 -15.447 3.076 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -1.041 -16.520 5.330 1.00 3.02 H new ATOM 0 HE1 HIS A 86 1.127 -20.156 5.198 1.00 3.99 H new ATOM 0 HE2 HIS A 86 -0.512 -18.758 6.556 1.00 3.81 H new ATOM 1345 N TYR A 87 -1.971 -14.298 0.697 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.048 -13.050 -0.051 1.00 0.49 C ATOM 1347 C TYR A 87 -2.807 -12.029 0.789 1.00 0.46 C ATOM 1348 O TYR A 87 -3.685 -12.406 1.565 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.760 -13.261 -1.390 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.134 -14.324 -2.267 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -0.861 -14.157 -2.799 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.822 -15.492 -2.569 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.294 -15.124 -3.606 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -2.260 -16.463 -3.373 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.997 -16.276 -3.890 1.00 2.70 C ATOM 1356 OH TYR A 87 -0.437 -17.242 -4.695 1.00 3.60 O ATOM 0 H TYR A 87 -2.845 -14.823 0.731 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.041 -12.691 -0.261 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.798 -13.530 -1.198 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -2.771 -12.317 -1.935 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.306 -13.257 -2.578 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.813 -15.643 -2.168 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.696 -14.979 -4.013 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -2.809 -17.366 -3.596 1.00 2.16 H new ATOM 0 HH TYR A 87 -1.064 -17.989 -4.794 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.483 -10.749 0.666 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.166 -9.750 1.477 1.00 0.38 C ATOM 1368 C ASN A 88 -3.990 -8.832 0.607 1.00 0.34 C ATOM 1369 O ASN A 88 -3.714 -8.639 -0.577 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.206 -8.913 2.329 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.459 -9.720 3.386 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -1.128 -10.892 3.190 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -1.196 -9.099 4.527 1.00 1.60 N ATOM 0 H ASN A 88 -1.772 -10.385 0.032 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.814 -10.303 2.157 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.481 -8.430 1.674 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.769 -8.120 2.821 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -0.706 -9.591 5.274 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -1.483 -8.129 4.658 1.00 1.60 H new ATOM 1380 N THR A 89 -5.028 -8.313 1.203 1.00 0.36 N ATOM 1381 CA THR A 89 -5.933 -7.400 0.547 1.00 0.37 C ATOM 1382 C THR A 89 -6.085 -6.146 1.405 1.00 0.37 C ATOM 1383 O THR A 89 -5.772 -6.175 2.592 1.00 0.40 O ATOM 1384 CB THR A 89 -7.303 -8.067 0.322 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.112 -9.427 -0.090 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.094 -7.330 -0.747 1.00 0.49 C ATOM 0 H THR A 89 -5.276 -8.513 2.172 1.00 0.36 H new ATOM 0 HA THR A 89 -5.528 -7.126 -0.427 1.00 0.37 H new ATOM 0 HB THR A 89 -7.860 -8.033 1.258 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.984 -9.852 -0.231 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.058 -7.819 -0.889 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.253 -6.298 -0.435 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.539 -7.344 -1.685 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.546 -5.052 0.821 1.00 0.40 N ATOM 1395 CA TYR A 90 -6.783 -3.839 1.587 1.00 0.42 C ATOM 1396 C TYR A 90 -8.172 -3.286 1.300 1.00 0.38 C ATOM 1397 O TYR A 90 -8.625 -3.272 0.158 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.721 -2.771 1.289 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.330 -3.106 1.789 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.107 -3.442 3.119 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.238 -3.073 0.930 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -2.836 -3.736 3.576 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -1.965 -3.368 1.380 1.00 0.85 C ATOM 1404 CZ TYR A 90 -1.768 -3.698 2.704 1.00 0.75 C ATOM 1405 OH TYR A 90 -0.500 -3.994 3.158 1.00 0.87 O ATOM 0 H TYR A 90 -6.762 -4.978 -0.173 1.00 0.40 H new ATOM 0 HA TYR A 90 -6.716 -4.100 2.643 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.677 -2.612 0.212 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.037 -1.829 1.737 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -4.940 -3.474 3.806 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.387 -2.812 -0.107 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -2.680 -3.995 4.613 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.128 -3.340 0.698 1.00 0.85 H new ATOM 0 HH TYR A 90 0.138 -3.922 2.417 1.00 0.87 H new ATOM 1415 N ILE A 91 -8.845 -2.863 2.352 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.127 -2.205 2.254 1.00 0.35 C ATOM 1417 C ILE A 91 -9.903 -0.756 2.567 1.00 0.36 C ATOM 1418 O ILE A 91 -9.094 -0.435 3.426 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.128 -2.752 3.287 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -10.912 -4.240 3.500 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.564 -2.466 2.869 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -11.161 -5.097 2.271 1.00 1.55 C ATOM 0 H ILE A 91 -8.510 -2.969 3.310 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.534 -2.369 1.256 1.00 0.35 H new ATOM 0 HB ILE A 91 -10.951 -2.239 4.233 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -9.888 -4.401 3.837 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -11.569 -4.578 4.302 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -13.247 -2.865 3.619 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -12.710 -1.389 2.781 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.764 -2.939 1.908 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -10.983 -6.144 2.515 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -12.193 -4.971 1.943 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -10.486 -4.791 1.471 1.00 1.55 H new ATOM 1434 N SER A 92 -10.641 0.108 1.943 1.00 0.36 N ATOM 1435 CA SER A 92 -10.446 1.515 2.145 1.00 0.40 C ATOM 1436 C SER A 92 -11.269 1.913 3.342 1.00 0.43 C ATOM 1437 O SER A 92 -12.466 2.150 3.249 1.00 0.53 O ATOM 1438 CB SER A 92 -10.875 2.285 0.899 1.00 0.47 C ATOM 1439 OG SER A 92 -10.715 1.502 -0.264 1.00 1.33 O ATOM 0 H SER A 92 -11.385 -0.133 1.289 1.00 0.36 H new ATOM 0 HA SER A 92 -9.396 1.746 2.322 1.00 0.40 H new ATOM 0 HB2 SER A 92 -11.918 2.588 0.996 1.00 0.47 H new ATOM 0 HB3 SER A 92 -10.285 3.197 0.811 1.00 0.47 H new ATOM 0 HG SER A 92 -11.143 1.952 -1.022 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.601 1.938 4.487 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.269 2.160 5.755 1.00 0.54 C ATOM 1447 C LYS A 93 -11.744 3.602 5.895 1.00 0.57 C ATOM 1448 O LYS A 93 -12.454 3.937 6.840 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.319 1.802 6.896 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.961 0.925 7.947 1.00 0.84 C ATOM 1451 CD LYS A 93 -9.983 0.553 9.051 1.00 1.27 C ATOM 1452 CE LYS A 93 -10.661 -0.263 10.141 1.00 1.20 C ATOM 1453 NZ LYS A 93 -11.503 0.580 11.030 1.00 1.58 N ATOM 0 H LYS A 93 -9.592 1.806 4.560 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.151 1.521 5.796 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.447 1.291 6.488 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -9.961 2.719 7.365 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -11.816 1.444 8.380 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -11.342 0.017 7.479 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -9.155 -0.017 8.629 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -9.558 1.459 9.483 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -11.279 -1.036 9.683 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -9.903 -0.772 10.736 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -12.268 0.003 11.433 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.918 0.966 11.799 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -11.913 1.362 10.481 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.421 4.424 4.912 1.00 0.52 N ATOM 1468 CA LYS A 94 -11.948 5.777 4.853 1.00 0.67 C ATOM 1469 C LYS A 94 -13.447 5.671 4.622 1.00 0.79 C ATOM 1470 O LYS A 94 -14.249 6.000 5.496 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.262 6.597 3.740 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.584 8.082 3.759 1.00 1.21 C ATOM 1473 CD LYS A 94 -10.898 8.782 4.926 1.00 1.56 C ATOM 1474 CE LYS A 94 -11.325 10.237 5.051 1.00 2.00 C ATOM 1475 NZ LYS A 94 -10.928 11.046 3.869 1.00 2.32 N ATOM 0 H LYS A 94 -10.797 4.179 4.144 1.00 0.52 H new ATOM 0 HA LYS A 94 -11.748 6.303 5.786 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.183 6.471 3.827 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.554 6.188 2.773 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -11.266 8.537 2.821 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.663 8.222 3.831 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -11.131 8.255 5.852 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -9.817 8.732 4.794 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -12.407 10.286 5.175 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -10.881 10.668 5.949 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -10.259 11.786 4.163 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -10.476 10.431 3.163 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -11.772 11.489 3.452 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.827 5.200 3.446 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.213 4.834 3.194 1.00 0.96 C ATOM 1491 C HIS A 95 -15.449 3.343 3.393 1.00 1.01 C ATOM 1492 O HIS A 95 -16.159 2.714 2.603 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.675 5.262 1.801 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.856 6.737 1.658 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -14.801 7.618 1.622 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.976 7.490 1.548 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.259 8.845 1.497 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -16.576 8.799 1.449 1.00 2.32 N ATOM 0 H HIS A 95 -13.200 5.062 2.654 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.811 5.375 3.928 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.947 4.921 1.065 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.617 4.765 1.571 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -17.994 7.128 1.540 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.657 9.740 1.443 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -17.195 9.604 1.354 1.00 2.32 H new ATOM 1507 N ALA A 96 -14.874 2.780 4.454 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.057 1.356 4.762 1.00 1.02 C ATOM 1509 C ALA A 96 -16.535 1.023 4.866 1.00 1.03 C ATOM 1510 O ALA A 96 -16.967 -0.095 4.576 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.350 0.990 6.057 1.00 1.18 C ATOM 0 H ALA A 96 -14.280 3.282 5.114 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.619 0.774 3.951 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.499 -0.069 6.266 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.284 1.194 5.960 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -14.760 1.582 6.875 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.293 2.031 5.266 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.734 1.948 5.404 1.00 1.16 C ATOM 1519 C GLU A 97 -19.399 1.449 4.117 1.00 1.07 C ATOM 1520 O GLU A 97 -20.399 0.734 4.169 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.246 3.343 5.769 1.00 1.30 C ATOM 1522 CG GLU A 97 -20.735 3.439 6.030 1.00 2.04 C ATOM 1523 CD GLU A 97 -21.128 4.831 6.480 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -21.089 5.093 7.700 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -21.453 5.673 5.618 1.00 3.42 O ATOM 0 H GLU A 97 -16.914 2.947 5.508 1.00 1.07 H new ATOM 0 HA GLU A 97 -18.986 1.229 6.183 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -18.715 3.686 6.657 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -18.991 4.029 4.961 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -21.282 3.180 5.124 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -21.020 2.714 6.793 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.841 1.818 2.969 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.435 1.438 1.689 1.00 0.88 C ATOM 1534 C LYS A 98 -18.798 0.180 1.096 1.00 0.83 C ATOM 1535 O LYS A 98 -19.195 -0.257 0.014 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.329 2.592 0.696 1.00 0.84 C ATOM 1537 CG LYS A 98 -20.083 3.831 1.143 1.00 1.41 C ATOM 1538 CD LYS A 98 -20.069 4.914 0.080 1.00 1.98 C ATOM 1539 CE LYS A 98 -20.823 6.141 0.552 1.00 2.14 C ATOM 1540 NZ LYS A 98 -20.863 7.206 -0.479 1.00 2.65 N ATOM 0 H LYS A 98 -17.988 2.373 2.896 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.484 1.210 1.880 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.279 2.845 0.552 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.714 2.268 -0.271 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -21.114 3.565 1.377 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -19.638 4.216 2.060 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -19.040 5.183 -0.158 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -20.520 4.535 -0.837 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -21.841 5.859 0.820 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -20.352 6.530 1.455 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -21.388 8.025 -0.112 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -19.893 7.495 -0.717 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -21.336 6.846 -1.332 1.00 2.65 H new ATOM 1554 N ASN A 99 -17.790 -0.368 1.782 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.185 -1.659 1.415 1.00 0.84 C ATOM 1556 C ASN A 99 -16.210 -1.509 0.253 1.00 0.68 C ATOM 1557 O ASN A 99 -15.898 -2.485 -0.433 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.237 -2.731 1.081 1.00 1.01 C ATOM 1559 CG ASN A 99 -19.102 -3.098 2.269 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -18.744 -3.962 3.071 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -20.256 -2.459 2.380 1.00 2.00 N ATOM 0 H ASN A 99 -17.370 0.066 2.604 1.00 0.82 H new ATOM 0 HA ASN A 99 -16.637 -1.995 2.295 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -18.873 -2.370 0.273 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -17.733 -3.625 0.715 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -20.887 -2.676 3.152 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -20.514 -1.750 1.694 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.736 -0.294 0.025 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.887 -0.012 -1.119 1.00 0.44 C ATOM 1570 C TRP A 100 -13.481 -0.572 -0.871 1.00 0.41 C ATOM 1571 O TRP A 100 -13.006 -0.593 0.267 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.866 1.500 -1.360 1.00 0.51 C ATOM 1573 CG TRP A 100 -14.507 1.905 -2.762 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -14.314 1.085 -3.836 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -14.318 3.242 -3.243 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -14.002 1.830 -4.948 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -13.995 3.156 -4.607 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.382 4.503 -2.649 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -13.740 4.285 -5.385 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.122 5.618 -3.422 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -13.805 5.504 -4.770 1.00 1.01 C ATOM 0 H TRP A 100 -15.926 0.513 0.619 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.278 -0.496 -2.014 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -15.848 1.907 -1.118 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -14.154 1.955 -0.671 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -14.395 0.008 -3.815 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -13.807 1.456 -5.877 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -14.631 4.606 -1.603 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -13.500 4.199 -6.435 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -14.166 6.598 -2.970 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -13.606 6.397 -5.344 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.832 -1.047 -1.930 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.559 -1.751 -1.795 1.00 0.51 C ATOM 1594 C PHE A 101 -10.384 -0.807 -1.983 1.00 0.55 C ATOM 1595 O PHE A 101 -10.467 0.146 -2.754 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.441 -2.876 -2.829 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.439 -3.990 -2.686 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.724 -3.859 -3.187 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.079 -5.181 -2.079 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.629 -4.896 -3.088 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -12.983 -6.220 -1.972 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.259 -6.077 -2.478 1.00 0.77 C ATOM 0 H PHE A 101 -13.165 -0.958 -2.890 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.536 -2.168 -0.788 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.544 -2.444 -3.824 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.438 -3.299 -2.768 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -14.021 -2.935 -3.660 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.080 -5.299 -1.685 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.626 -4.783 -3.488 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.692 -7.143 -1.493 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.967 -6.888 -2.397 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.297 -1.057 -1.267 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.049 -0.388 -1.569 1.00 0.55 C ATOM 1614 C VAL A 102 -7.298 -1.221 -2.574 1.00 0.50 C ATOM 1615 O VAL A 102 -6.913 -2.356 -2.300 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.145 -0.170 -0.332 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -5.733 0.226 -0.750 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -7.722 0.892 0.570 1.00 1.27 C ATOM 0 H VAL A 102 -9.257 -1.710 -0.484 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.299 0.601 -1.954 1.00 0.55 H new ATOM 0 HB VAL A 102 -7.098 -1.113 0.213 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -5.118 0.373 0.138 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -5.300 -0.564 -1.364 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -5.770 1.152 -1.323 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -7.071 1.029 1.433 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -7.801 1.831 0.022 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -8.712 0.584 0.907 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.121 -0.663 -3.739 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.365 -1.329 -4.763 1.00 0.61 C ATOM 1630 C GLY A 103 -5.408 -0.395 -5.414 1.00 0.54 C ATOM 1631 O GLY A 103 -5.754 0.731 -5.767 1.00 0.66 O ATOM 0 H GLY A 103 -7.489 0.251 -4.003 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.821 -2.169 -4.330 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -7.043 -1.740 -5.511 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.227 -0.884 -5.614 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.121 -0.059 -6.033 1.00 0.50 C ATOM 1637 C LEU A 104 -2.584 -0.538 -7.348 1.00 0.59 C ATOM 1638 O LEU A 104 -2.674 -1.722 -7.653 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.017 -0.085 -4.969 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.651 -1.433 -4.347 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -0.900 -2.323 -5.323 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.808 -1.186 -3.117 1.00 1.27 C ATOM 0 H LEU A 104 -3.993 -1.869 -5.493 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.472 0.966 -6.154 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.114 0.333 -5.414 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.315 0.585 -4.162 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.571 -1.953 -4.081 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.659 -3.270 -4.840 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.522 -2.509 -6.198 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.021 -1.829 -5.631 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.539 -2.140 -2.663 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.098 -0.650 -3.399 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.374 -0.590 -2.401 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.049 0.346 -8.158 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.267 -0.167 -9.255 1.00 0.54 C ATOM 1656 C LYS A 105 0.222 0.049 -8.964 1.00 0.49 C ATOM 1657 O LYS A 105 0.770 1.087 -9.285 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.696 0.581 -10.527 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.702 -0.240 -11.807 1.00 0.94 C ATOM 1660 CD LYS A 105 -2.793 -1.292 -11.810 1.00 1.55 C ATOM 1661 CE LYS A 105 -3.115 -1.763 -13.223 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.897 -2.159 -13.976 1.00 2.09 N ATOM 0 H LYS A 105 -2.132 1.360 -8.088 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.430 -1.236 -9.389 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -2.697 0.982 -10.370 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.030 1.433 -10.667 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.838 0.424 -12.661 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -0.733 -0.724 -11.930 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -2.480 -2.143 -11.205 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -3.692 -0.885 -11.348 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -3.801 -2.609 -13.174 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -3.629 -0.967 -13.761 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -2.103 -3.001 -14.551 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -1.604 -1.378 -14.598 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -1.130 -2.375 -13.307 1.00 2.09 H new ATOM 1676 N LYS A 106 0.930 -0.968 -8.463 1.00 0.46 N ATOM 1677 CA LYS A 106 2.371 -0.804 -8.319 1.00 0.44 C ATOM 1678 C LYS A 106 2.960 -0.848 -9.701 1.00 0.44 C ATOM 1679 O LYS A 106 3.818 -0.056 -10.056 1.00 0.46 O ATOM 1680 CB LYS A 106 3.038 -1.868 -7.425 1.00 0.51 C ATOM 1681 CG LYS A 106 3.627 -3.060 -8.184 1.00 0.81 C ATOM 1682 CD LYS A 106 4.567 -3.882 -7.319 1.00 1.11 C ATOM 1683 CE LYS A 106 4.930 -5.211 -7.983 1.00 1.02 C ATOM 1684 NZ LYS A 106 6.050 -5.902 -7.279 1.00 1.57 N ATOM 0 H LYS A 106 0.551 -1.867 -8.165 1.00 0.46 H new ATOM 0 HA LYS A 106 2.558 0.146 -7.818 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.832 -1.393 -6.848 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.302 -2.237 -6.711 1.00 0.51 H new ATOM 0 HG2 LYS A 106 2.818 -3.695 -8.544 1.00 0.81 H new ATOM 0 HG3 LYS A 106 4.164 -2.700 -9.062 1.00 0.81 H new ATOM 0 HD2 LYS A 106 5.476 -3.312 -7.125 1.00 1.11 H new ATOM 0 HD3 LYS A 106 4.099 -4.073 -6.353 1.00 1.11 H new ATOM 0 HE2 LYS A 106 4.055 -5.860 -7.996 1.00 1.02 H new ATOM 0 HE3 LYS A 106 5.210 -5.033 -9.021 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 6.487 -6.595 -7.919 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 6.762 -5.202 -6.988 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 5.682 -6.391 -6.438 1.00 1.57 H new ATOM 1698 N ASN A 107 2.450 -1.769 -10.497 1.00 0.50 N ATOM 1699 CA ASN A 107 2.904 -1.918 -11.855 1.00 0.56 C ATOM 1700 C ASN A 107 2.365 -0.771 -12.704 1.00 0.60 C ATOM 1701 O ASN A 107 2.689 -0.652 -13.882 1.00 0.70 O ATOM 1702 CB ASN A 107 2.471 -3.293 -12.410 1.00 0.67 C ATOM 1703 CG ASN A 107 0.975 -3.554 -12.310 1.00 1.47 C ATOM 1704 OD1 ASN A 107 0.165 -2.635 -12.320 1.00 2.40 O ATOM 1705 ND2 ASN A 107 0.597 -4.821 -12.205 1.00 1.84 N ATOM 0 H ASN A 107 1.719 -2.424 -10.220 1.00 0.50 H new ATOM 0 HA ASN A 107 3.993 -1.878 -11.886 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.773 -3.364 -13.455 1.00 0.67 H new ATOM 0 HB3 ASN A 107 3.004 -4.076 -11.870 1.00 0.67 H new ATOM 0 HD21 ASN A 107 -0.393 -5.053 -12.130 1.00 1.84 H new ATOM 0 HD22 ASN A 107 1.297 -5.563 -12.200 1.00 1.84 H new ATOM 1712 N GLY A 108 1.542 0.075 -12.082 1.00 0.56 N ATOM 1713 CA GLY A 108 0.929 1.165 -12.793 1.00 0.65 C ATOM 1714 C GLY A 108 1.276 2.541 -12.269 1.00 0.60 C ATOM 1715 O GLY A 108 2.121 3.236 -12.815 1.00 0.71 O ATOM 0 H GLY A 108 1.295 0.016 -11.094 1.00 0.56 H new ATOM 0 HA2 GLY A 108 1.222 1.107 -13.841 1.00 0.65 H new ATOM 0 HA3 GLY A 108 -0.153 1.040 -12.757 1.00 0.65 H new ATOM 1719 N SER A 109 0.642 2.889 -11.153 1.00 0.53 N ATOM 1720 CA SER A 109 0.333 4.257 -10.828 1.00 0.64 C ATOM 1721 C SER A 109 -0.411 4.222 -9.512 1.00 0.54 C ATOM 1722 O SER A 109 -0.716 3.142 -9.000 1.00 0.54 O ATOM 1723 CB SER A 109 -0.523 4.894 -11.933 1.00 0.93 C ATOM 1724 OG SER A 109 -0.710 6.283 -11.718 1.00 1.50 O ATOM 0 H SER A 109 0.331 2.217 -10.451 1.00 0.53 H new ATOM 0 HA SER A 109 1.236 4.862 -10.747 1.00 0.64 H new ATOM 0 HB2 SER A 109 -0.045 4.737 -12.900 1.00 0.93 H new ATOM 0 HB3 SER A 109 -1.493 4.398 -11.973 1.00 0.93 H new ATOM 0 HG SER A 109 -1.257 6.655 -12.441 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.736 5.350 -8.948 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.264 5.330 -7.619 1.00 0.82 C ATOM 1732 C CYS A 110 -2.726 4.930 -7.678 1.00 0.66 C ATOM 1733 O CYS A 110 -3.403 5.082 -8.688 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.085 6.695 -6.957 1.00 1.35 C ATOM 1735 SG CYS A 110 -1.797 8.072 -7.883 1.00 2.32 S ATOM 0 H CYS A 110 -0.647 6.272 -9.376 1.00 0.76 H new ATOM 0 HA CYS A 110 -0.724 4.602 -7.014 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -1.538 6.667 -5.966 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -0.020 6.880 -6.816 1.00 1.35 H new ATOM 0 HG CYS A 110 -1.593 9.181 -7.236 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.171 4.414 -6.557 1.00 0.72 N ATOM 1742 CA LYS A 111 -4.149 3.388 -6.480 1.00 1.00 C ATOM 1743 C LYS A 111 -5.519 3.914 -6.805 1.00 0.75 C ATOM 1744 O LYS A 111 -5.837 5.074 -6.547 1.00 1.56 O ATOM 1745 CB LYS A 111 -4.061 2.811 -5.075 1.00 2.13 C ATOM 1746 CG LYS A 111 -2.808 3.249 -4.309 1.00 2.53 C ATOM 1747 CD LYS A 111 -1.484 2.850 -4.976 1.00 2.18 C ATOM 1748 CE LYS A 111 -0.329 3.442 -4.205 1.00 3.01 C ATOM 1749 NZ LYS A 111 -0.509 4.901 -3.971 1.00 3.59 N ATOM 0 H LYS A 111 -2.839 4.720 -5.642 1.00 0.72 H new ATOM 0 HA LYS A 111 -3.963 2.606 -7.216 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -4.944 3.112 -4.512 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -4.077 1.723 -5.136 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -2.829 4.332 -4.191 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -2.840 2.819 -3.308 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -1.394 1.764 -5.008 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -1.464 3.202 -6.007 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -0.231 2.930 -3.248 1.00 3.01 H new ATOM 0 HE3 LYS A 111 0.598 3.274 -4.753 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 0.395 5.391 -4.125 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -1.222 5.273 -4.631 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -0.826 5.059 -2.993 1.00 3.59 H new ATOM 1763 N ARG A 112 -6.316 3.044 -7.383 1.00 0.95 N ATOM 1764 CA ARG A 112 -7.418 3.480 -8.197 1.00 1.36 C ATOM 1765 C ARG A 112 -8.730 2.796 -7.837 1.00 1.14 C ATOM 1766 O ARG A 112 -8.992 1.673 -8.272 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.075 3.225 -9.657 1.00 2.63 C ATOM 1768 CG ARG A 112 -5.869 4.017 -10.121 1.00 3.07 C ATOM 1769 CD ARG A 112 -6.225 5.480 -10.307 1.00 4.09 C ATOM 1770 NE ARG A 112 -5.304 6.157 -11.213 1.00 4.81 N ATOM 1771 CZ ARG A 112 -4.646 7.272 -10.913 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -4.718 7.780 -9.688 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -3.904 7.869 -11.837 1.00 6.59 N ATOM 0 H ARG A 112 -6.218 2.032 -7.302 1.00 0.95 H new ATOM 0 HA ARG A 112 -7.569 4.544 -8.015 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -6.883 2.162 -9.801 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -7.934 3.481 -10.278 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.064 3.924 -9.392 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -5.498 3.606 -11.060 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -7.240 5.559 -10.696 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -6.215 5.981 -9.339 1.00 4.09 H new ATOM 0 HE ARG A 112 -5.155 5.749 -12.136 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -5.279 7.314 -8.975 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -4.212 8.636 -9.460 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -3.840 7.472 -12.774 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -3.398 8.725 -11.610 1.00 6.59 H new ATOM 1787 N GLY A 113 -9.577 3.517 -7.111 1.00 0.81 N ATOM 1788 CA GLY A 113 -10.852 2.982 -6.666 1.00 0.76 C ATOM 1789 C GLY A 113 -11.857 2.666 -7.777 1.00 0.77 C ATOM 1790 O GLY A 113 -12.707 1.797 -7.575 1.00 0.80 O ATOM 0 H GLY A 113 -9.399 4.478 -6.819 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -10.666 2.070 -6.098 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.307 3.697 -5.981 1.00 0.76 H new ATOM 1794 N PRO A 114 -11.834 3.336 -8.954 1.00 0.90 N ATOM 1795 CA PRO A 114 -12.689 2.956 -10.085 1.00 1.07 C ATOM 1796 C PRO A 114 -12.666 1.449 -10.403 1.00 0.90 C ATOM 1797 O PRO A 114 -13.620 0.923 -10.972 1.00 1.05 O ATOM 1798 CB PRO A 114 -12.120 3.756 -11.270 1.00 1.40 C ATOM 1799 CG PRO A 114 -10.889 4.432 -10.758 1.00 1.38 C ATOM 1800 CD PRO A 114 -11.068 4.548 -9.275 1.00 1.03 C ATOM 0 HA PRO A 114 -13.734 3.172 -9.862 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -11.885 3.099 -12.107 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -12.844 4.486 -11.632 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -9.997 3.854 -10.999 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -10.765 5.414 -11.214 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.112 4.575 -8.751 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -11.608 5.454 -9.001 1.00 1.03 H new ATOM 1808 N ARG A 115 -11.586 0.749 -10.041 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.491 -0.677 -10.314 1.00 0.74 C ATOM 1810 C ARG A 115 -11.136 -1.456 -9.049 1.00 0.69 C ATOM 1811 O ARG A 115 -10.835 -2.649 -9.119 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.453 -0.973 -11.407 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.658 -0.202 -12.707 1.00 1.39 C ATOM 1814 CD ARG A 115 -9.878 1.106 -12.703 1.00 1.63 C ATOM 1815 NE ARG A 115 -10.004 1.842 -13.959 1.00 1.81 N ATOM 1816 CZ ARG A 115 -9.090 1.828 -14.929 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -8.037 1.026 -14.846 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -9.244 2.601 -15.995 1.00 2.62 N ATOM 0 H ARG A 115 -10.777 1.147 -9.564 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.470 -0.999 -10.668 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.461 -0.745 -11.018 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -10.471 -2.040 -11.627 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -10.340 -0.815 -13.550 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -11.719 0.005 -12.846 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -10.230 1.732 -11.883 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -8.825 0.896 -12.514 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.844 2.402 -14.102 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -7.923 0.416 -14.037 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -7.341 1.020 -15.591 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -10.062 3.206 -16.072 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -8.545 2.591 -16.738 1.00 2.62 H new ATOM 1832 N THR A 116 -11.171 -0.790 -7.894 1.00 0.61 N ATOM 1833 CA THR A 116 -10.884 -1.451 -6.632 1.00 0.75 C ATOM 1834 C THR A 116 -12.047 -2.337 -6.210 1.00 0.85 C ATOM 1835 O THR A 116 -13.051 -1.898 -5.649 1.00 1.23 O ATOM 1836 CB THR A 116 -10.546 -0.469 -5.515 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.567 0.515 -5.399 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.200 0.202 -5.752 1.00 1.13 C ATOM 0 H THR A 116 -11.395 0.202 -7.812 1.00 0.61 H new ATOM 0 HA THR A 116 -10.001 -2.067 -6.801 1.00 0.75 H new ATOM 0 HB THR A 116 -10.482 -1.033 -4.584 1.00 0.93 H new ATOM 0 HG1 THR A 116 -12.423 0.077 -5.208 1.00 0.93 H new ATOM 0 HG21 THR A 116 -8.991 0.895 -4.937 1.00 1.13 H new ATOM 0 HG22 THR A 116 -8.418 -0.556 -5.794 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.227 0.748 -6.695 1.00 1.13 H new ATOM 1846 N HIS A 117 -11.852 -3.589 -6.526 1.00 0.70 N ATOM 1847 CA HIS A 117 -12.812 -4.666 -6.454 1.00 0.77 C ATOM 1848 C HIS A 117 -12.202 -5.649 -7.402 1.00 0.68 C ATOM 1849 O HIS A 117 -11.116 -5.349 -7.916 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.250 -4.268 -6.873 1.00 0.89 C ATOM 1851 CG HIS A 117 -14.376 -3.527 -8.177 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -14.779 -2.210 -8.249 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -14.191 -3.928 -9.459 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -14.836 -1.835 -9.513 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -14.484 -2.857 -10.268 1.00 2.85 N ATOM 0 H HIS A 117 -10.947 -3.911 -6.868 1.00 0.70 H new ATOM 0 HA HIS A 117 -12.966 -5.033 -5.439 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -14.854 -5.174 -6.933 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.679 -3.650 -6.084 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -13.872 -4.907 -9.784 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -15.123 -0.856 -9.869 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -14.437 -2.853 -11.287 1.00 2.85 H new ATOM 1864 N TYR A 118 -12.780 -6.782 -7.691 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.073 -7.586 -8.644 1.00 0.69 C ATOM 1866 C TYR A 118 -12.473 -7.120 -10.028 1.00 0.68 C ATOM 1867 O TYR A 118 -13.345 -7.667 -10.702 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.361 -9.066 -8.424 1.00 0.78 C ATOM 1869 CG TYR A 118 -11.627 -9.641 -7.230 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -12.167 -9.567 -5.950 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -10.388 -10.250 -7.382 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -11.491 -10.084 -4.858 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -9.708 -10.771 -6.297 1.00 2.72 C ATOM 1874 CZ TYR A 118 -10.262 -10.685 -5.038 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.582 -11.201 -3.955 1.00 4.11 O ATOM 0 H TYR A 118 -13.658 -7.146 -7.320 1.00 0.73 H new ATOM 0 HA TYR A 118 -10.996 -7.469 -8.525 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.433 -9.205 -8.286 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -12.080 -9.622 -9.318 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -13.129 -9.099 -5.806 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -9.948 -10.318 -8.366 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -11.923 -10.017 -3.871 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -8.747 -11.243 -6.435 1.00 2.72 H new ATOM 0 HH TYR A 118 -8.734 -11.589 -4.256 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.783 -6.045 -10.393 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.721 -5.534 -11.728 1.00 0.65 C ATOM 1887 C GLY A 119 -10.349 -5.807 -12.278 1.00 0.65 C ATOM 1888 O GLY A 119 -10.159 -6.206 -13.427 1.00 0.73 O ATOM 0 H GLY A 119 -11.236 -5.496 -9.730 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.480 -6.007 -12.351 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -11.926 -4.463 -11.734 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.391 -5.597 -11.385 1.00 0.60 N ATOM 1893 CA GLN A 120 -7.979 -5.710 -11.673 1.00 0.64 C ATOM 1894 C GLN A 120 -7.331 -6.652 -10.667 1.00 0.62 C ATOM 1895 O GLN A 120 -7.783 -6.748 -9.529 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.332 -4.324 -11.573 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.603 -3.425 -12.766 1.00 1.05 C ATOM 1898 CD GLN A 120 -7.074 -2.016 -12.563 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -7.599 -1.056 -13.121 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -6.039 -1.879 -11.751 1.00 2.13 N ATOM 0 H GLN A 120 -9.586 -5.337 -10.418 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.838 -6.106 -12.679 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -7.693 -3.831 -10.671 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.255 -4.445 -11.460 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -7.144 -3.858 -13.655 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -8.677 -3.384 -12.950 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -5.629 -2.699 -11.305 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -5.651 -0.953 -11.571 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.275 -7.341 -11.076 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.546 -8.209 -10.157 1.00 0.78 C ATOM 1911 C LYS A 121 -4.460 -7.421 -9.449 1.00 0.70 C ATOM 1912 O LYS A 121 -3.610 -7.978 -8.759 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.955 -9.424 -10.873 1.00 1.06 C ATOM 1914 CG LYS A 121 -6.009 -10.382 -11.400 1.00 1.43 C ATOM 1915 CD LYS A 121 -5.445 -11.781 -11.585 1.00 1.94 C ATOM 1916 CE LYS A 121 -6.530 -12.780 -11.957 1.00 2.28 C ATOM 1917 NZ LYS A 121 -6.056 -14.184 -11.835 1.00 2.85 N ATOM 0 H LYS A 121 -5.906 -7.318 -12.027 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.253 -8.584 -9.417 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -4.337 -9.083 -11.703 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -4.299 -9.959 -10.186 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -6.850 -10.416 -10.708 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -6.394 -10.014 -12.351 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -4.682 -11.766 -12.363 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -4.956 -12.101 -10.665 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -7.396 -12.632 -11.312 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -6.858 -12.595 -12.980 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -6.824 -14.834 -12.097 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -5.245 -14.333 -12.469 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -5.766 -14.369 -10.853 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.508 -6.108 -9.623 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.651 -5.203 -8.881 1.00 0.72 C ATOM 1933 C ALA A 122 -4.266 -4.932 -7.513 1.00 0.54 C ATOM 1934 O ALA A 122 -3.743 -4.158 -6.711 1.00 0.59 O ATOM 1935 CB ALA A 122 -3.453 -3.913 -9.655 1.00 0.92 C ATOM 0 H ALA A 122 -5.138 -5.645 -10.278 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.672 -5.661 -8.740 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -2.808 -3.243 -9.087 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -2.990 -4.133 -10.617 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -4.419 -3.435 -9.818 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.405 -5.574 -7.269 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.050 -5.536 -5.967 1.00 0.44 C ATOM 1943 C ILE A 123 -5.519 -6.696 -5.122 1.00 0.40 C ATOM 1944 O ILE A 123 -5.910 -6.892 -3.971 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.590 -5.645 -6.099 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.104 -4.755 -7.241 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.280 -5.267 -4.791 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -7.792 -3.284 -7.075 1.00 1.37 C ATOM 0 H ILE A 123 -5.901 -6.131 -7.965 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.823 -4.583 -5.489 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.830 -6.683 -6.329 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.671 -5.102 -8.179 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -9.184 -4.878 -7.323 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.360 -5.352 -4.912 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.949 -5.938 -3.998 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -8.024 -4.241 -4.528 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -8.190 -2.729 -7.925 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.248 -2.917 -6.156 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -6.712 -3.145 -7.025 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.610 -7.461 -5.717 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.941 -8.545 -5.017 1.00 0.43 C ATOM 1962 C LEU A 124 -2.490 -8.158 -4.743 1.00 0.37 C ATOM 1963 O LEU A 124 -1.688 -7.984 -5.676 1.00 0.46 O ATOM 1964 CB LEU A 124 -4.004 -9.834 -5.841 1.00 0.63 C ATOM 1965 CG LEU A 124 -3.516 -11.091 -5.118 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -4.397 -11.387 -3.916 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -3.495 -12.276 -6.070 1.00 1.83 C ATOM 0 H LEU A 124 -4.320 -7.347 -6.688 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.448 -8.723 -4.069 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -5.034 -9.994 -6.159 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -3.409 -9.699 -6.744 1.00 0.63 H new ATOM 0 HG LEU A 124 -2.500 -10.916 -4.765 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -4.036 -12.284 -3.413 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -4.364 -10.545 -3.225 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -5.423 -11.545 -4.247 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -3.146 -13.162 -5.540 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -4.500 -12.454 -6.451 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -2.824 -12.062 -6.902 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.162 -8.006 -3.464 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.839 -7.535 -3.067 1.00 0.45 C ATOM 1981 C PHE A 125 -0.249 -8.343 -1.919 1.00 0.36 C ATOM 1982 O PHE A 125 -0.951 -9.056 -1.201 1.00 0.51 O ATOM 1983 CB PHE A 125 -0.869 -6.052 -2.682 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.244 -5.466 -2.565 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.029 -5.722 -1.457 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -2.746 -4.653 -3.565 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.289 -5.177 -1.350 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -4.007 -4.105 -3.461 1.00 1.05 C ATOM 1989 CZ PHE A 125 -4.779 -4.369 -2.352 1.00 0.85 C ATOM 0 H PHE A 125 -2.792 -8.201 -2.686 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.199 -7.671 -3.938 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -0.353 -5.927 -1.730 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.309 -5.485 -3.426 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -2.651 -6.355 -0.668 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -2.144 -4.445 -4.437 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -4.894 -5.383 -0.479 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -4.388 -3.470 -4.247 1.00 1.05 H new ATOM 0 HZ PHE A 125 -5.768 -3.943 -2.268 1.00 0.85 H new ATOM 1999 N LEU A 126 1.063 -8.222 -1.775 1.00 0.36 N ATOM 2000 CA LEU A 126 1.814 -8.903 -0.743 1.00 0.49 C ATOM 2001 C LEU A 126 2.663 -7.878 -0.007 1.00 0.48 C ATOM 2002 O LEU A 126 3.195 -6.952 -0.622 1.00 0.49 O ATOM 2003 CB LEU A 126 2.738 -9.984 -1.335 1.00 0.68 C ATOM 2004 CG LEU A 126 2.060 -11.228 -1.924 1.00 1.22 C ATOM 2005 CD1 LEU A 126 1.034 -11.785 -0.956 1.00 1.98 C ATOM 2006 CD2 LEU A 126 1.429 -10.931 -3.277 1.00 1.96 C ATOM 0 H LEU A 126 1.639 -7.639 -2.382 1.00 0.36 H new ATOM 0 HA LEU A 126 1.111 -9.390 -0.068 1.00 0.49 H new ATOM 0 HB2 LEU A 126 3.341 -9.524 -2.117 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.424 -10.309 -0.553 1.00 0.68 H new ATOM 0 HG LEU A 126 2.829 -11.984 -2.082 1.00 1.22 H new ATOM 0 HD11 LEU A 126 0.564 -12.667 -1.392 1.00 1.98 H new ATOM 0 HD12 LEU A 126 1.526 -12.059 -0.023 1.00 1.98 H new ATOM 0 HD13 LEU A 126 0.274 -11.030 -0.757 1.00 1.98 H new ATOM 0 HD21 LEU A 126 0.958 -11.834 -3.665 1.00 1.96 H new ATOM 0 HD22 LEU A 126 0.678 -10.149 -3.164 1.00 1.96 H new ATOM 0 HD23 LEU A 126 2.199 -10.596 -3.972 1.00 1.96 H new ATOM 2018 N PRO A 127 2.795 -8.004 1.312 1.00 0.54 N ATOM 2019 CA PRO A 127 3.670 -7.158 2.084 1.00 0.55 C ATOM 2020 C PRO A 127 4.942 -7.896 2.480 1.00 0.53 C ATOM 2021 O PRO A 127 4.941 -8.741 3.375 1.00 0.66 O ATOM 2022 CB PRO A 127 2.806 -6.874 3.315 1.00 0.72 C ATOM 2023 CG PRO A 127 1.888 -8.065 3.445 1.00 0.81 C ATOM 2024 CD PRO A 127 2.041 -8.898 2.187 1.00 0.68 C ATOM 0 HA PRO A 127 4.008 -6.268 1.553 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.421 -6.753 4.207 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.238 -5.952 3.192 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.144 -8.652 4.327 1.00 0.81 H new ATOM 0 HG3 PRO A 127 0.854 -7.741 3.567 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.577 -9.828 2.378 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.076 -9.168 1.758 1.00 0.68 H new ATOM 2032 N LEU A 128 6.029 -7.561 1.809 1.00 0.44 N ATOM 2033 CA LEU A 128 7.290 -8.250 2.014 1.00 0.46 C ATOM 2034 C LEU A 128 8.348 -7.286 2.517 1.00 0.39 C ATOM 2035 O LEU A 128 8.859 -6.469 1.760 1.00 0.39 O ATOM 2036 CB LEU A 128 7.755 -8.905 0.710 1.00 0.56 C ATOM 2037 CG LEU A 128 6.820 -9.978 0.147 1.00 0.98 C ATOM 2038 CD1 LEU A 128 7.327 -10.476 -1.196 1.00 1.34 C ATOM 2039 CD2 LEU A 128 6.684 -11.137 1.126 1.00 1.47 C ATOM 0 H LEU A 128 6.064 -6.814 1.115 1.00 0.44 H new ATOM 0 HA LEU A 128 7.140 -9.025 2.765 1.00 0.46 H new ATOM 0 HB2 LEU A 128 7.883 -8.127 -0.043 1.00 0.56 H new ATOM 0 HB3 LEU A 128 8.735 -9.352 0.877 1.00 0.56 H new ATOM 0 HG LEU A 128 5.836 -9.532 0.001 1.00 0.98 H new ATOM 0 HD11 LEU A 128 6.650 -11.238 -1.581 1.00 1.34 H new ATOM 0 HD12 LEU A 128 7.374 -9.644 -1.899 1.00 1.34 H new ATOM 0 HD13 LEU A 128 8.322 -10.904 -1.073 1.00 1.34 H new ATOM 0 HD21 LEU A 128 6.015 -11.890 0.708 1.00 1.47 H new ATOM 0 HD22 LEU A 128 7.664 -11.580 1.303 1.00 1.47 H new ATOM 0 HD23 LEU A 128 6.275 -10.771 2.068 1.00 1.47 H new ATOM 2051 N PRO A 129 8.668 -7.349 3.808 1.00 0.41 N ATOM 2052 CA PRO A 129 9.706 -6.525 4.404 1.00 0.40 C ATOM 2053 C PRO A 129 11.068 -7.175 4.244 1.00 0.48 C ATOM 2054 O PRO A 129 11.161 -8.332 3.825 1.00 0.55 O ATOM 2055 CB PRO A 129 9.317 -6.477 5.891 1.00 0.48 C ATOM 2056 CG PRO A 129 8.179 -7.440 6.073 1.00 0.68 C ATOM 2057 CD PRO A 129 8.055 -8.232 4.800 1.00 0.53 C ATOM 0 HA PRO A 129 9.777 -5.540 3.943 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.162 -6.754 6.521 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.020 -5.469 6.181 1.00 0.48 H new ATOM 0 HG2 PRO A 129 8.366 -8.100 6.920 1.00 0.68 H new ATOM 0 HG3 PRO A 129 7.253 -6.905 6.285 1.00 0.68 H new ATOM 0 HD2 PRO A 129 8.574 -9.188 4.866 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.015 -8.450 4.559 1.00 0.53 H new ATOM 2065 N VAL A 130 12.129 -6.441 4.541 1.00 0.56 N ATOM 2066 CA VAL A 130 13.428 -7.054 4.614 1.00 0.76 C ATOM 2067 C VAL A 130 13.450 -7.964 5.831 1.00 0.97 C ATOM 2068 O VAL A 130 13.003 -7.577 6.914 1.00 1.03 O ATOM 2069 CB VAL A 130 14.567 -6.014 4.670 1.00 0.93 C ATOM 2070 CG1 VAL A 130 14.898 -5.514 3.271 1.00 1.43 C ATOM 2071 CG2 VAL A 130 14.192 -4.845 5.565 1.00 1.36 C ATOM 0 H VAL A 130 12.110 -5.439 4.731 1.00 0.56 H new ATOM 0 HA VAL A 130 13.602 -7.632 3.707 1.00 0.76 H new ATOM 0 HB VAL A 130 15.447 -6.500 5.090 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.703 -4.781 3.327 1.00 1.43 H new ATOM 0 HG12 VAL A 130 15.213 -6.353 2.650 1.00 1.43 H new ATOM 0 HG13 VAL A 130 14.015 -5.050 2.832 1.00 1.43 H new ATOM 0 HG21 VAL A 130 15.011 -4.126 5.587 1.00 1.36 H new ATOM 0 HG22 VAL A 130 13.296 -4.362 5.176 1.00 1.36 H new ATOM 0 HG23 VAL A 130 13.999 -5.207 6.575 1.00 1.36 H new ATOM 2081 N SER A 131 13.896 -9.186 5.640 1.00 1.27 N ATOM 2082 CA SER A 131 13.813 -10.183 6.683 1.00 1.65 C ATOM 2083 C SER A 131 15.186 -10.513 7.248 1.00 1.86 C ATOM 2084 O SER A 131 16.208 -10.342 6.580 1.00 1.88 O ATOM 2085 CB SER A 131 13.138 -11.445 6.135 1.00 2.07 C ATOM 2086 OG SER A 131 13.683 -11.817 4.876 1.00 2.32 O ATOM 0 H SER A 131 14.320 -9.513 4.772 1.00 1.27 H new ATOM 0 HA SER A 131 13.214 -9.779 7.499 1.00 1.65 H new ATOM 0 HB2 SER A 131 13.263 -12.264 6.844 1.00 2.07 H new ATOM 0 HB3 SER A 131 12.067 -11.272 6.033 1.00 2.07 H new ATOM 0 HG SER A 131 14.277 -12.588 4.991 1.00 2.32 H new ATOM 2092 N SER A 132 15.203 -10.959 8.492 1.00 2.21 N ATOM 2093 CA SER A 132 16.411 -11.465 9.103 1.00 2.54 C ATOM 2094 C SER A 132 16.469 -12.966 8.903 1.00 3.02 C ATOM 2095 O SER A 132 15.810 -13.733 9.607 1.00 3.59 O ATOM 2096 CB SER A 132 16.431 -11.120 10.588 1.00 2.98 C ATOM 2097 OG SER A 132 16.276 -9.725 10.778 1.00 2.97 O ATOM 0 H SER A 132 14.384 -10.979 9.100 1.00 2.21 H new ATOM 0 HA SER A 132 17.283 -11.005 8.637 1.00 2.54 H new ATOM 0 HB2 SER A 132 15.631 -11.653 11.102 1.00 2.98 H new ATOM 0 HB3 SER A 132 17.370 -11.451 11.031 1.00 2.98 H new ATOM 0 HG SER A 132 16.289 -9.522 11.737 1.00 2.97 H new ATOM 2103 N ASP A 133 17.227 -13.376 7.907 1.00 3.06 N ATOM 2104 CA ASP A 133 17.303 -14.778 7.549 1.00 3.74 C ATOM 2105 C ASP A 133 18.622 -15.375 8.003 1.00 3.96 C ATOM 2106 O ASP A 133 18.663 -15.929 9.119 1.00 4.33 O ATOM 2107 CB ASP A 133 17.121 -14.963 6.041 1.00 3.99 C ATOM 2108 CG ASP A 133 15.714 -14.632 5.583 1.00 4.66 C ATOM 2109 OD1 ASP A 133 14.762 -15.278 6.065 1.00 5.12 O ATOM 2110 OD2 ASP A 133 15.553 -13.735 4.728 1.00 5.00 O ATOM 2111 OXT ASP A 133 19.616 -15.269 7.259 1.00 4.10 O ATOM 0 H ASP A 133 17.799 -12.759 7.331 1.00 3.06 H new ATOM 0 HA ASP A 133 16.495 -15.303 8.058 1.00 3.74 H new ATOM 0 HB2 ASP A 133 17.831 -14.328 5.512 1.00 3.99 H new ATOM 0 HB3 ASP A 133 17.354 -15.994 5.774 1.00 3.99 H new TER 2116 ASP A 133