USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1286 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: B 26 THR OG1 : rot 180:sc= -0.381 USER MOD Set 1.2: B 29 GLN : amide:sc= 0 X(o=-0.38,f=-0.78) USER MOD Set 2.1: A 26 THR OG1 : rot -147:sc= 0.487 USER MOD Set 2.2: A 29 GLN : amide:sc= -0.694 K(o=-0.21,f=1) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0427 (180deg=-0.305) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0654) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -159:sc= -0.138 (180deg=-0.65) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= 0.941 (180deg=0.3) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0595) USER MOD Single : A 14 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.17) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 22 THR OG1 : rot -41:sc= 0.52 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= 0.8 (180deg=-0.246) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0171) USER MOD Single : A 34 THR OG1 : rot -65:sc= 0.746 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0442) USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= 0.797 (180deg=0.266) USER MOD Single : A 54 LYS NZ :NH3+ -128:sc= 0.00577 (180deg=-0.0354) USER MOD Single : A 57 THR OG1 : rot -110:sc= -0.513 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0985 USER MOD Single : A 67 LYS NZ :NH3+ -134:sc= -0.61 (180deg=-3.74!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.817 K(o=-0.81,f=-2.8!) USER MOD Single : A 77 HIS : no HD1:sc= -0.067 X(o=-0.067,f=-0.21) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -172:sc= 0 (180deg=-0.086) USER MOD Single : B 2 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0634) USER MOD Single : B 3 MET CE :methyl -152:sc= -0.713 (180deg=-2.81!) USER MOD Single : B 5 LYS NZ :NH3+ -122:sc= 0.574 (180deg=-2.16!) USER MOD Single : B 7 LYS NZ :NH3+ -179:sc= 0.289 (180deg=0.271) USER MOD Single : B 14 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.15) USER MOD Single : B 20 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : B 22 THR OG1 : rot -32:sc= 0.537 USER MOD Single : B 27 GLN : amide:sc= -0.215 K(o=-0.22,f=-0.74) USER MOD Single : B 28 LYS NZ :NH3+ -166:sc=-0.00475 (180deg=-0.168) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0541) USER MOD Single : B 34 THR OG1 : rot -66:sc=-0.00892 USER MOD Single : B 35 LYS NZ :NH3+ -170:sc= 0.587 (180deg=0.448) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0.3 (180deg=0.3) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot -24:sc= 0.859 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 73 HIS : no HD1:sc= 0.00672 K(o=0.0067,f=-0.56) USER MOD Single : B 74 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.803 17.926 5.260 1.00 61.53 N ATOM 2 CA MET A 1 12.310 17.290 6.505 1.00 53.30 C ATOM 3 C MET A 1 11.693 15.885 6.686 1.00 54.24 C ATOM 4 O MET A 1 12.395 14.877 6.584 1.00 50.33 O ATOM 5 CB MET A 1 12.028 18.194 7.737 1.00 42.33 C ATOM 6 CG MET A 1 12.729 19.559 7.691 1.00 12.41 C ATOM 7 SD MET A 1 12.438 20.556 9.175 1.00 55.41 S ATOM 8 CE MET A 1 10.658 20.803 9.123 1.00 74.44 C ATOM 0 H1 MET A 1 12.326 18.807 5.082 1.00 61.53 H new ATOM 0 H2 MET A 1 11.937 17.276 4.459 1.00 61.53 H new ATOM 0 H3 MET A 1 10.791 18.140 5.367 1.00 61.53 H new ATOM 0 HA MET A 1 13.390 17.173 6.420 1.00 53.30 H new ATOM 0 HB2 MET A 1 10.953 18.353 7.818 1.00 42.33 H new ATOM 0 HB3 MET A 1 12.341 17.668 8.639 1.00 42.33 H new ATOM 0 HG2 MET A 1 13.801 19.406 7.567 1.00 12.41 H new ATOM 0 HG3 MET A 1 12.382 20.110 6.817 1.00 12.41 H new ATOM 0 HE1 MET A 1 10.380 21.592 9.821 1.00 74.44 H new ATOM 0 HE2 MET A 1 10.360 21.089 8.114 1.00 74.44 H new ATOM 0 HE3 MET A 1 10.154 19.878 9.402 1.00 74.44 H new ATOM 20 N LYS A 2 10.371 15.821 6.952 1.00 13.13 N ATOM 21 CA LYS A 2 9.647 14.534 7.088 1.00 23.32 C ATOM 22 C LYS A 2 8.844 14.227 5.801 1.00 23.44 C ATOM 23 O LYS A 2 7.746 14.758 5.595 1.00 14.13 O ATOM 24 CB LYS A 2 8.704 14.566 8.322 1.00 45.33 C ATOM 25 CG LYS A 2 8.011 13.213 8.632 1.00 41.12 C ATOM 26 CD LYS A 2 6.982 13.308 9.782 1.00 70.42 C ATOM 27 CE LYS A 2 5.768 14.186 9.425 1.00 64.34 C ATOM 28 NZ LYS A 2 4.806 14.277 10.548 1.00 5.15 N ATOM 0 H LYS A 2 9.781 16.644 7.077 1.00 13.13 H new ATOM 0 HA LYS A 2 10.380 13.741 7.236 1.00 23.32 H new ATOM 0 HB2 LYS A 2 9.278 14.875 9.195 1.00 45.33 H new ATOM 0 HB3 LYS A 2 7.938 15.324 8.160 1.00 45.33 H new ATOM 0 HG2 LYS A 2 7.510 12.854 7.733 1.00 41.12 H new ATOM 0 HG3 LYS A 2 8.769 12.474 8.891 1.00 41.12 H new ATOM 0 HD2 LYS A 2 6.637 12.306 10.039 1.00 70.42 H new ATOM 0 HD3 LYS A 2 7.470 13.714 10.668 1.00 70.42 H new ATOM 0 HE2 LYS A 2 6.109 15.186 9.156 1.00 64.34 H new ATOM 0 HE3 LYS A 2 5.267 13.774 8.549 1.00 64.34 H new ATOM 0 HZ1 LYS A 2 4.003 14.876 10.269 1.00 5.15 H new ATOM 0 HZ2 LYS A 2 4.461 13.326 10.788 1.00 5.15 H new ATOM 0 HZ3 LYS A 2 5.278 14.693 11.376 1.00 5.15 H new ATOM 42 N MET A 3 9.421 13.386 4.930 1.00 2.02 N ATOM 43 CA MET A 3 8.768 12.951 3.674 1.00 11.53 C ATOM 44 C MET A 3 7.536 12.045 3.942 1.00 43.04 C ATOM 45 O MET A 3 7.372 11.496 5.043 1.00 73.44 O ATOM 46 CB MET A 3 9.791 12.184 2.792 1.00 2.43 C ATOM 47 CG MET A 3 11.059 12.976 2.427 1.00 52.25 C ATOM 48 SD MET A 3 12.262 11.974 1.522 1.00 52.21 S ATOM 49 CE MET A 3 12.678 10.708 2.731 1.00 5.22 C ATOM 0 H MET A 3 10.349 12.987 5.070 1.00 2.02 H new ATOM 0 HA MET A 3 8.419 13.845 3.157 1.00 11.53 H new ATOM 0 HB2 MET A 3 10.087 11.274 3.314 1.00 2.43 H new ATOM 0 HB3 MET A 3 9.295 11.877 1.871 1.00 2.43 H new ATOM 0 HG2 MET A 3 10.783 13.840 1.823 1.00 52.25 H new ATOM 0 HG3 MET A 3 11.520 13.358 3.338 1.00 52.25 H new ATOM 0 HE1 MET A 3 13.640 10.264 2.476 1.00 5.22 H new ATOM 0 HE2 MET A 3 12.737 11.157 3.722 1.00 5.22 H new ATOM 0 HE3 MET A 3 11.909 9.935 2.728 1.00 5.22 H new ATOM 59 N LEU A 4 6.682 11.881 2.918 1.00 52.11 N ATOM 60 CA LEU A 4 5.577 10.895 2.954 1.00 11.21 C ATOM 61 C LEU A 4 6.138 9.445 2.972 1.00 4.14 C ATOM 62 O LEU A 4 5.510 8.526 3.496 1.00 21.23 O ATOM 63 CB LEU A 4 4.608 11.122 1.763 1.00 22.45 C ATOM 64 CG LEU A 4 3.913 12.528 1.709 1.00 2.43 C ATOM 65 CD1 LEU A 4 2.948 12.636 0.510 1.00 63.11 C ATOM 66 CD2 LEU A 4 3.192 12.854 3.043 1.00 44.34 C ATOM 0 H LEU A 4 6.732 12.417 2.052 1.00 52.11 H new ATOM 0 HA LEU A 4 5.009 11.037 3.873 1.00 11.21 H new ATOM 0 HB2 LEU A 4 5.161 10.975 0.835 1.00 22.45 H new ATOM 0 HB3 LEU A 4 3.834 10.356 1.797 1.00 22.45 H new ATOM 0 HG LEU A 4 4.696 13.273 1.567 1.00 2.43 H new ATOM 0 HD11 LEU A 4 2.484 13.623 0.504 1.00 63.11 H new ATOM 0 HD12 LEU A 4 3.502 12.489 -0.417 1.00 63.11 H new ATOM 0 HD13 LEU A 4 2.175 11.872 0.595 1.00 63.11 H new ATOM 0 HD21 LEU A 4 2.721 13.835 2.972 1.00 44.34 H new ATOM 0 HD22 LEU A 4 2.430 12.099 3.239 1.00 44.34 H new ATOM 0 HD23 LEU A 4 3.917 12.858 3.857 1.00 44.34 H new ATOM 78 N LYS A 5 7.345 9.277 2.398 1.00 71.44 N ATOM 79 CA LYS A 5 8.145 8.037 2.510 1.00 53.21 C ATOM 80 C LYS A 5 8.710 7.846 3.946 1.00 32.25 C ATOM 81 O LYS A 5 8.770 6.721 4.452 1.00 35.00 O ATOM 82 CB LYS A 5 9.318 8.093 1.500 1.00 13.25 C ATOM 83 CG LYS A 5 8.908 8.045 0.011 1.00 13.15 C ATOM 84 CD LYS A 5 10.126 8.198 -0.934 1.00 30.30 C ATOM 85 CE LYS A 5 11.236 7.167 -0.661 1.00 64.31 C ATOM 86 NZ LYS A 5 12.407 7.356 -1.555 1.00 10.52 N ATOM 0 H LYS A 5 7.797 10.001 1.840 1.00 71.44 H new ATOM 0 HA LYS A 5 7.493 7.192 2.290 1.00 53.21 H new ATOM 0 HB2 LYS A 5 9.884 9.008 1.675 1.00 13.25 H new ATOM 0 HB3 LYS A 5 9.990 7.259 1.702 1.00 13.25 H new ATOM 0 HG2 LYS A 5 8.406 7.100 -0.196 1.00 13.15 H new ATOM 0 HG3 LYS A 5 8.190 8.839 -0.193 1.00 13.15 H new ATOM 0 HD2 LYS A 5 9.792 8.098 -1.967 1.00 30.30 H new ATOM 0 HD3 LYS A 5 10.537 9.202 -0.828 1.00 30.30 H new ATOM 0 HE2 LYS A 5 11.557 7.247 0.378 1.00 64.31 H new ATOM 0 HE3 LYS A 5 10.837 6.162 -0.795 1.00 64.31 H new ATOM 0 HZ1 LYS A 5 13.275 7.078 -1.054 1.00 10.52 H new ATOM 0 HZ2 LYS A 5 12.294 6.767 -2.405 1.00 10.52 H new ATOM 0 HZ3 LYS A 5 12.473 8.356 -1.833 1.00 10.52 H new ATOM 100 N GLU A 6 9.132 8.963 4.575 1.00 3.22 N ATOM 101 CA GLU A 6 9.752 8.957 5.923 1.00 3.54 C ATOM 102 C GLU A 6 8.760 8.472 7.010 1.00 62.13 C ATOM 103 O GLU A 6 9.081 7.563 7.796 1.00 13.02 O ATOM 104 CB GLU A 6 10.277 10.373 6.277 1.00 22.41 C ATOM 105 CG GLU A 6 10.982 10.492 7.647 1.00 72.42 C ATOM 106 CD GLU A 6 12.287 9.677 7.742 1.00 41.33 C ATOM 107 OE1 GLU A 6 13.340 10.163 7.279 1.00 45.30 O ATOM 108 OE2 GLU A 6 12.269 8.543 8.270 1.00 74.31 O ATOM 0 H GLU A 6 9.054 9.894 4.166 1.00 3.22 H new ATOM 0 HA GLU A 6 10.587 8.256 5.898 1.00 3.54 H new ATOM 0 HB2 GLU A 6 10.973 10.689 5.500 1.00 22.41 H new ATOM 0 HB3 GLU A 6 9.438 11.069 6.257 1.00 22.41 H new ATOM 0 HG2 GLU A 6 11.204 11.541 7.842 1.00 72.42 H new ATOM 0 HG3 GLU A 6 10.298 10.160 8.428 1.00 72.42 H new ATOM 115 N LYS A 7 7.548 9.083 7.043 1.00 24.45 N ATOM 116 CA LYS A 7 6.484 8.680 7.996 1.00 51.11 C ATOM 117 C LYS A 7 5.974 7.242 7.700 1.00 74.55 C ATOM 118 O LYS A 7 5.614 6.512 8.618 1.00 52.43 O ATOM 119 CB LYS A 7 5.329 9.748 8.062 1.00 14.32 C ATOM 120 CG LYS A 7 4.571 10.091 6.741 1.00 34.51 C ATOM 121 CD LYS A 7 3.587 8.987 6.272 1.00 71.25 C ATOM 122 CE LYS A 7 2.688 9.431 5.110 1.00 10.22 C ATOM 123 NZ LYS A 7 1.702 10.451 5.536 1.00 73.11 N ATOM 0 H LYS A 7 7.285 9.851 6.425 1.00 24.45 H new ATOM 0 HA LYS A 7 6.920 8.649 8.995 1.00 51.11 H new ATOM 0 HB2 LYS A 7 4.594 9.400 8.788 1.00 14.32 H new ATOM 0 HB3 LYS A 7 5.752 10.673 8.454 1.00 14.32 H new ATOM 0 HG2 LYS A 7 4.018 11.020 6.882 1.00 34.51 H new ATOM 0 HG3 LYS A 7 5.301 10.272 5.952 1.00 34.51 H new ATOM 0 HD2 LYS A 7 4.156 8.108 5.968 1.00 71.25 H new ATOM 0 HD3 LYS A 7 2.961 8.686 7.112 1.00 71.25 H new ATOM 0 HE2 LYS A 7 3.305 9.835 4.307 1.00 10.22 H new ATOM 0 HE3 LYS A 7 2.164 8.566 4.705 1.00 10.22 H new ATOM 0 HZ1 LYS A 7 1.028 10.626 4.764 1.00 73.11 H new ATOM 0 HZ2 LYS A 7 1.188 10.109 6.373 1.00 73.11 H new ATOM 0 HZ3 LYS A 7 2.197 11.335 5.771 1.00 73.11 H new ATOM 137 N ALA A 8 5.976 6.841 6.405 1.00 50.40 N ATOM 138 CA ALA A 8 5.624 5.460 5.982 1.00 32.14 C ATOM 139 C ALA A 8 6.625 4.431 6.550 1.00 22.23 C ATOM 140 O ALA A 8 6.240 3.332 6.948 1.00 73.12 O ATOM 141 CB ALA A 8 5.564 5.371 4.448 1.00 13.30 C ATOM 0 H ALA A 8 6.219 7.458 5.630 1.00 50.40 H new ATOM 0 HA ALA A 8 4.639 5.222 6.384 1.00 32.14 H new ATOM 0 HB1 ALA A 8 5.305 4.354 4.152 1.00 13.30 H new ATOM 0 HB2 ALA A 8 4.809 6.061 4.073 1.00 13.30 H new ATOM 0 HB3 ALA A 8 6.536 5.634 4.030 1.00 13.30 H new ATOM 147 N GLY A 9 7.913 4.826 6.585 1.00 5.01 N ATOM 148 CA GLY A 9 8.973 4.038 7.224 1.00 43.25 C ATOM 149 C GLY A 9 8.860 3.994 8.758 1.00 64.52 C ATOM 150 O GLY A 9 9.224 2.993 9.391 1.00 33.45 O ATOM 0 H GLY A 9 8.242 5.698 6.171 1.00 5.01 H new ATOM 0 HA2 GLY A 9 8.944 3.020 6.835 1.00 43.25 H new ATOM 0 HA3 GLY A 9 9.942 4.456 6.950 1.00 43.25 H new ATOM 154 N ALA A 10 8.356 5.091 9.355 1.00 25.43 N ATOM 155 CA ALA A 10 8.125 5.191 10.816 1.00 61.14 C ATOM 156 C ALA A 10 7.003 4.232 11.279 1.00 0.51 C ATOM 157 O ALA A 10 7.113 3.578 12.321 1.00 43.23 O ATOM 158 CB ALA A 10 7.779 6.638 11.196 1.00 54.22 C ATOM 0 H ALA A 10 8.097 5.934 8.842 1.00 25.43 H new ATOM 0 HA ALA A 10 9.044 4.896 11.323 1.00 61.14 H new ATOM 0 HB1 ALA A 10 7.611 6.702 12.271 1.00 54.22 H new ATOM 0 HB2 ALA A 10 8.604 7.294 10.918 1.00 54.22 H new ATOM 0 HB3 ALA A 10 6.876 6.947 10.669 1.00 54.22 H new ATOM 164 N LEU A 11 5.928 4.162 10.479 1.00 62.04 N ATOM 165 CA LEU A 11 4.782 3.255 10.723 1.00 34.33 C ATOM 166 C LEU A 11 5.150 1.802 10.358 1.00 33.42 C ATOM 167 O LEU A 11 4.654 0.848 10.970 1.00 43.43 O ATOM 168 CB LEU A 11 3.556 3.740 9.906 1.00 64.23 C ATOM 169 CG LEU A 11 3.158 5.235 10.125 1.00 4.05 C ATOM 170 CD1 LEU A 11 1.984 5.637 9.223 1.00 53.23 C ATOM 171 CD2 LEU A 11 2.873 5.547 11.611 1.00 75.04 C ATOM 0 H LEU A 11 5.823 4.733 9.640 1.00 62.04 H new ATOM 0 HA LEU A 11 4.529 3.274 11.783 1.00 34.33 H new ATOM 0 HB2 LEU A 11 3.762 3.587 8.847 1.00 64.23 H new ATOM 0 HB3 LEU A 11 2.701 3.113 10.158 1.00 64.23 H new ATOM 0 HG LEU A 11 4.015 5.843 9.837 1.00 4.05 H new ATOM 0 HD11 LEU A 11 1.731 6.683 9.399 1.00 53.23 H new ATOM 0 HD12 LEU A 11 2.265 5.503 8.178 1.00 53.23 H new ATOM 0 HD13 LEU A 11 1.120 5.012 9.450 1.00 53.23 H new ATOM 0 HD21 LEU A 11 2.600 6.597 11.716 1.00 75.04 H new ATOM 0 HD22 LEU A 11 2.053 4.922 11.963 1.00 75.04 H new ATOM 0 HD23 LEU A 11 3.765 5.343 12.203 1.00 75.04 H new ATOM 183 N ALA A 12 6.037 1.664 9.350 1.00 62.34 N ATOM 184 CA ALA A 12 6.593 0.366 8.912 1.00 53.24 C ATOM 185 C ALA A 12 7.294 -0.391 10.058 1.00 35.31 C ATOM 186 O ALA A 12 6.943 -1.530 10.352 1.00 40.13 O ATOM 187 CB ALA A 12 7.576 0.572 7.749 1.00 3.41 C ATOM 0 H ALA A 12 6.390 2.456 8.813 1.00 62.34 H new ATOM 0 HA ALA A 12 5.752 -0.244 8.581 1.00 53.24 H new ATOM 0 HB1 ALA A 12 7.978 -0.392 7.437 1.00 3.41 H new ATOM 0 HB2 ALA A 12 7.056 1.037 6.911 1.00 3.41 H new ATOM 0 HB3 ALA A 12 8.393 1.217 8.073 1.00 3.41 H new ATOM 193 N GLY A 13 8.266 0.278 10.699 1.00 62.04 N ATOM 194 CA GLY A 13 9.009 -0.290 11.839 1.00 53.01 C ATOM 195 C GLY A 13 8.120 -0.800 12.985 1.00 61.23 C ATOM 196 O GLY A 13 8.462 -1.772 13.663 1.00 53.32 O ATOM 0 H GLY A 13 8.559 1.222 10.445 1.00 62.04 H new ATOM 0 HA2 GLY A 13 9.627 -1.113 11.481 1.00 53.01 H new ATOM 0 HA3 GLY A 13 9.686 0.469 12.231 1.00 53.01 H new ATOM 200 N GLN A 14 6.962 -0.142 13.173 1.00 61.24 N ATOM 201 CA GLN A 14 5.974 -0.503 14.215 1.00 72.00 C ATOM 202 C GLN A 14 5.199 -1.794 13.847 1.00 10.33 C ATOM 203 O GLN A 14 5.054 -2.695 14.681 1.00 23.22 O ATOM 204 CB GLN A 14 4.999 0.684 14.444 1.00 31.31 C ATOM 205 CG GLN A 14 5.696 1.980 14.904 1.00 21.24 C ATOM 206 CD GLN A 14 4.724 3.134 15.146 1.00 21.23 C ATOM 207 OE1 GLN A 14 4.189 3.289 16.235 1.00 21.24 O ATOM 208 NE2 GLN A 14 4.506 3.960 14.143 1.00 24.14 N ATOM 0 H GLN A 14 6.681 0.658 12.607 1.00 61.24 H new ATOM 0 HA GLN A 14 6.511 -0.707 15.141 1.00 72.00 H new ATOM 0 HB2 GLN A 14 4.458 0.882 13.519 1.00 31.31 H new ATOM 0 HB3 GLN A 14 4.259 0.396 15.190 1.00 31.31 H new ATOM 0 HG2 GLN A 14 6.249 1.781 15.822 1.00 21.24 H new ATOM 0 HG3 GLN A 14 6.425 2.280 14.151 1.00 21.24 H new ATOM 0 HE21 GLN A 14 4.966 3.806 13.246 1.00 24.14 H new ATOM 0 HE22 GLN A 14 3.877 4.754 14.264 1.00 24.14 H new ATOM 217 N ILE A 15 4.706 -1.875 12.586 1.00 55.14 N ATOM 218 CA ILE A 15 3.991 -3.081 12.076 1.00 44.25 C ATOM 219 C ILE A 15 4.945 -4.305 12.027 1.00 24.54 C ATOM 220 O ILE A 15 4.578 -5.407 12.439 1.00 62.21 O ATOM 221 CB ILE A 15 3.354 -2.832 10.650 1.00 22.32 C ATOM 222 CG1 ILE A 15 2.375 -1.612 10.689 1.00 14.35 C ATOM 223 CG2 ILE A 15 2.627 -4.101 10.118 1.00 33.53 C ATOM 224 CD1 ILE A 15 1.678 -1.296 9.370 1.00 44.12 C ATOM 0 H ILE A 15 4.788 -1.123 11.902 1.00 55.14 H new ATOM 0 HA ILE A 15 3.178 -3.290 12.772 1.00 44.25 H new ATOM 0 HB ILE A 15 4.167 -2.604 9.961 1.00 22.32 H new ATOM 0 HG12 ILE A 15 1.615 -1.801 11.447 1.00 14.35 H new ATOM 0 HG13 ILE A 15 2.931 -0.730 11.008 1.00 14.35 H new ATOM 0 HG21 ILE A 15 2.202 -3.892 9.136 1.00 33.53 H new ATOM 0 HG22 ILE A 15 3.340 -4.922 10.038 1.00 33.53 H new ATOM 0 HG23 ILE A 15 1.829 -4.379 10.807 1.00 33.53 H new ATOM 0 HD11 ILE A 15 1.022 -0.435 9.502 1.00 44.12 H new ATOM 0 HD12 ILE A 15 2.425 -1.070 8.609 1.00 44.12 H new ATOM 0 HD13 ILE A 15 1.088 -2.157 9.055 1.00 44.12 H new ATOM 236 N TRP A 16 6.178 -4.064 11.544 1.00 4.20 N ATOM 237 CA TRP A 16 7.272 -5.062 11.494 1.00 32.32 C ATOM 238 C TRP A 16 7.526 -5.684 12.886 1.00 32.51 C ATOM 239 O TRP A 16 7.595 -6.907 13.034 1.00 64.31 O ATOM 240 CB TRP A 16 8.578 -4.380 10.977 1.00 12.30 C ATOM 241 CG TRP A 16 9.747 -5.331 10.789 1.00 41.24 C ATOM 242 CD1 TRP A 16 10.071 -6.010 9.651 1.00 14.21 C ATOM 243 CD2 TRP A 16 10.730 -5.713 11.772 1.00 24.53 C ATOM 244 NE1 TRP A 16 11.171 -6.796 9.868 1.00 54.40 N ATOM 245 CE2 TRP A 16 11.590 -6.637 11.162 1.00 31.02 C ATOM 246 CE3 TRP A 16 10.951 -5.370 13.114 1.00 35.14 C ATOM 247 CZ2 TRP A 16 12.658 -7.222 11.841 1.00 3.22 C ATOM 248 CZ3 TRP A 16 12.005 -5.948 13.789 1.00 4.43 C ATOM 249 CH2 TRP A 16 12.845 -6.871 13.154 1.00 2.54 C ATOM 0 H TRP A 16 6.451 -3.155 11.170 1.00 4.20 H new ATOM 0 HA TRP A 16 6.976 -5.860 10.814 1.00 32.32 H new ATOM 0 HB2 TRP A 16 8.367 -3.890 10.026 1.00 12.30 H new ATOM 0 HB3 TRP A 16 8.869 -3.599 11.680 1.00 12.30 H new ATOM 0 HD1 TRP A 16 9.537 -5.938 8.715 1.00 14.21 H new ATOM 0 HE1 TRP A 16 11.609 -7.404 9.176 1.00 54.40 H new ATOM 0 HE3 TRP A 16 10.304 -4.663 13.612 1.00 35.14 H new ATOM 0 HZ2 TRP A 16 13.314 -7.926 11.351 1.00 3.22 H new ATOM 0 HZ3 TRP A 16 12.185 -5.685 14.821 1.00 4.43 H new ATOM 0 HH2 TRP A 16 13.657 -7.316 13.710 1.00 2.54 H new ATOM 260 N GLU A 17 7.676 -4.802 13.892 1.00 74.14 N ATOM 261 CA GLU A 17 7.973 -5.195 15.289 1.00 42.41 C ATOM 262 C GLU A 17 6.775 -5.935 15.944 1.00 45.21 C ATOM 263 O GLU A 17 6.965 -6.787 16.824 1.00 35.22 O ATOM 264 CB GLU A 17 8.389 -3.953 16.122 1.00 63.13 C ATOM 265 CG GLU A 17 9.048 -4.289 17.472 1.00 71.45 C ATOM 266 CD GLU A 17 9.431 -3.049 18.294 1.00 71.04 C ATOM 267 OE1 GLU A 17 10.536 -2.498 18.087 1.00 33.21 O ATOM 268 OE2 GLU A 17 8.633 -2.623 19.153 1.00 52.31 O ATOM 0 H GLU A 17 7.595 -3.794 13.762 1.00 74.14 H new ATOM 0 HA GLU A 17 8.809 -5.894 15.271 1.00 42.41 H new ATOM 0 HB2 GLU A 17 9.080 -3.350 15.533 1.00 63.13 H new ATOM 0 HB3 GLU A 17 7.506 -3.340 16.304 1.00 63.13 H new ATOM 0 HG2 GLU A 17 8.365 -4.906 18.057 1.00 71.45 H new ATOM 0 HG3 GLU A 17 9.942 -4.886 17.292 1.00 71.45 H new ATOM 275 N ALA A 18 5.545 -5.607 15.499 1.00 42.22 N ATOM 276 CA ALA A 18 4.312 -6.319 15.920 1.00 4.44 C ATOM 277 C ALA A 18 4.277 -7.771 15.357 1.00 32.51 C ATOM 278 O ALA A 18 3.805 -8.700 16.021 1.00 34.32 O ATOM 279 CB ALA A 18 3.068 -5.528 15.471 1.00 31.11 C ATOM 0 H ALA A 18 5.374 -4.846 14.841 1.00 42.22 H new ATOM 0 HA ALA A 18 4.311 -6.390 17.008 1.00 4.44 H new ATOM 0 HB1 ALA A 18 2.168 -6.057 15.784 1.00 31.11 H new ATOM 0 HB2 ALA A 18 3.083 -4.537 15.926 1.00 31.11 H new ATOM 0 HB3 ALA A 18 3.072 -5.429 14.386 1.00 31.11 H new ATOM 285 N LEU A 19 4.795 -7.942 14.125 1.00 70.34 N ATOM 286 CA LEU A 19 4.906 -9.263 13.456 1.00 33.31 C ATOM 287 C LEU A 19 6.155 -10.048 13.936 1.00 70.04 C ATOM 288 O LEU A 19 6.199 -11.280 13.831 1.00 45.41 O ATOM 289 CB LEU A 19 4.978 -9.069 11.918 1.00 30.22 C ATOM 290 CG LEU A 19 3.803 -8.281 11.267 1.00 42.42 C ATOM 291 CD1 LEU A 19 4.045 -8.076 9.757 1.00 60.33 C ATOM 292 CD2 LEU A 19 2.444 -8.962 11.546 1.00 52.52 C ATOM 0 H LEU A 19 5.150 -7.170 13.561 1.00 70.34 H new ATOM 0 HA LEU A 19 4.021 -9.842 13.719 1.00 33.31 H new ATOM 0 HB2 LEU A 19 5.909 -8.553 11.681 1.00 30.22 H new ATOM 0 HB3 LEU A 19 5.031 -10.052 11.451 1.00 30.22 H new ATOM 0 HG LEU A 19 3.764 -7.294 11.728 1.00 42.42 H new ATOM 0 HD11 LEU A 19 3.210 -7.523 9.326 1.00 60.33 H new ATOM 0 HD12 LEU A 19 4.967 -7.514 9.609 1.00 60.33 H new ATOM 0 HD13 LEU A 19 4.129 -9.046 9.267 1.00 60.33 H new ATOM 0 HD21 LEU A 19 1.646 -8.386 11.078 1.00 52.52 H new ATOM 0 HD22 LEU A 19 2.452 -9.972 11.136 1.00 52.52 H new ATOM 0 HD23 LEU A 19 2.275 -9.009 12.622 1.00 52.52 H new ATOM 304 N ASN A 20 7.170 -9.314 14.432 1.00 64.54 N ATOM 305 CA ASN A 20 8.438 -9.898 14.923 1.00 3.45 C ATOM 306 C ASN A 20 8.197 -10.808 16.151 1.00 43.14 C ATOM 307 O ASN A 20 7.717 -10.345 17.190 1.00 13.32 O ATOM 308 CB ASN A 20 9.440 -8.752 15.249 1.00 71.12 C ATOM 309 CG ASN A 20 10.834 -9.233 15.662 1.00 11.41 C ATOM 310 OD1 ASN A 20 11.319 -10.260 15.199 1.00 14.01 O ATOM 311 ND2 ASN A 20 11.486 -8.497 16.543 1.00 32.23 N ATOM 0 H ASN A 20 7.136 -8.297 14.505 1.00 64.54 H new ATOM 0 HA ASN A 20 8.866 -10.528 14.144 1.00 3.45 H new ATOM 0 HB2 ASN A 20 9.535 -8.108 14.375 1.00 71.12 H new ATOM 0 HB3 ASN A 20 9.027 -8.141 16.051 1.00 71.12 H new ATOM 0 HD21 ASN A 20 12.416 -8.778 16.854 1.00 32.23 H new ATOM 0 HD22 ASN A 20 11.060 -7.647 16.913 1.00 32.23 H new ATOM 318 N GLY A 21 8.546 -12.102 16.004 1.00 21.44 N ATOM 319 CA GLY A 21 8.285 -13.124 17.030 1.00 11.44 C ATOM 320 C GLY A 21 7.067 -14.013 16.708 1.00 72.42 C ATOM 321 O GLY A 21 7.069 -15.209 17.016 1.00 42.21 O ATOM 0 H GLY A 21 9.015 -12.464 15.173 1.00 21.44 H new ATOM 0 HA2 GLY A 21 9.168 -13.754 17.138 1.00 11.44 H new ATOM 0 HA3 GLY A 21 8.124 -12.633 17.990 1.00 11.44 H new ATOM 325 N THR A 22 6.027 -13.423 16.080 1.00 41.10 N ATOM 326 CA THR A 22 4.731 -14.119 15.802 1.00 14.51 C ATOM 327 C THR A 22 4.714 -14.843 14.430 1.00 53.13 C ATOM 328 O THR A 22 5.628 -14.689 13.612 1.00 21.32 O ATOM 329 CB THR A 22 3.517 -13.121 15.841 1.00 0.43 C ATOM 330 OG1 THR A 22 3.519 -12.275 14.679 1.00 14.42 O ATOM 331 CG2 THR A 22 3.523 -12.243 17.105 1.00 31.51 C ATOM 0 H THR A 22 6.051 -12.458 15.750 1.00 41.10 H new ATOM 0 HA THR A 22 4.634 -14.862 16.593 1.00 14.51 H new ATOM 0 HB THR A 22 2.613 -13.730 15.855 1.00 0.43 H new ATOM 0 HG1 THR A 22 4.437 -11.997 14.478 1.00 14.42 H new ATOM 0 HG21 THR A 22 2.665 -11.571 17.085 1.00 31.51 H new ATOM 0 HG22 THR A 22 3.466 -12.878 17.989 1.00 31.51 H new ATOM 0 HG23 THR A 22 4.442 -11.658 17.137 1.00 31.51 H new ATOM 339 N GLU A 23 3.642 -15.635 14.194 1.00 22.02 N ATOM 340 CA GLU A 23 3.385 -16.303 12.894 1.00 45.54 C ATOM 341 C GLU A 23 2.514 -15.429 11.955 1.00 64.35 C ATOM 342 O GLU A 23 2.166 -15.864 10.849 1.00 52.42 O ATOM 343 CB GLU A 23 2.681 -17.670 13.115 1.00 44.14 C ATOM 344 CG GLU A 23 3.450 -18.663 14.005 1.00 72.44 C ATOM 345 CD GLU A 23 2.818 -20.067 14.010 1.00 1.13 C ATOM 346 OE1 GLU A 23 1.817 -20.277 14.724 1.00 51.12 O ATOM 347 OE2 GLU A 23 3.308 -20.955 13.276 1.00 11.21 O ATOM 0 H GLU A 23 2.930 -15.830 14.898 1.00 22.02 H new ATOM 0 HA GLU A 23 4.354 -16.457 12.419 1.00 45.54 H new ATOM 0 HB2 GLU A 23 1.702 -17.490 13.560 1.00 44.14 H new ATOM 0 HB3 GLU A 23 2.509 -18.134 12.144 1.00 44.14 H new ATOM 0 HG2 GLU A 23 4.481 -18.734 13.657 1.00 72.44 H new ATOM 0 HG3 GLU A 23 3.483 -18.280 15.025 1.00 72.44 H new ATOM 354 N GLY A 24 2.160 -14.206 12.403 1.00 71.04 N ATOM 355 CA GLY A 24 1.325 -13.285 11.616 1.00 61.41 C ATOM 356 C GLY A 24 0.056 -12.825 12.322 1.00 71.40 C ATOM 357 O GLY A 24 -0.536 -13.569 13.112 1.00 1.31 O ATOM 0 H GLY A 24 2.443 -13.836 13.310 1.00 71.04 H new ATOM 0 HA2 GLY A 24 1.919 -12.409 11.355 1.00 61.41 H new ATOM 0 HA3 GLY A 24 1.049 -13.773 10.681 1.00 61.41 H new ATOM 361 N LEU A 25 -0.358 -11.584 12.024 1.00 70.24 N ATOM 362 CA LEU A 25 -1.609 -10.979 12.538 1.00 20.52 C ATOM 363 C LEU A 25 -2.474 -10.492 11.351 1.00 40.41 C ATOM 364 O LEU A 25 -1.964 -10.274 10.243 1.00 64.12 O ATOM 365 CB LEU A 25 -1.319 -9.771 13.497 1.00 10.25 C ATOM 366 CG LEU A 25 -0.605 -10.056 14.871 1.00 12.31 C ATOM 367 CD1 LEU A 25 0.894 -10.379 14.708 1.00 21.04 C ATOM 368 CD2 LEU A 25 -0.798 -8.872 15.853 1.00 55.43 C ATOM 0 H LEU A 25 0.169 -10.960 11.413 1.00 70.24 H new ATOM 0 HA LEU A 25 -2.140 -11.743 13.106 1.00 20.52 H new ATOM 0 HB2 LEU A 25 -0.709 -9.052 12.950 1.00 10.25 H new ATOM 0 HB3 LEU A 25 -2.270 -9.283 13.713 1.00 10.25 H new ATOM 0 HG LEU A 25 -1.081 -10.944 15.288 1.00 12.31 H new ATOM 0 HD11 LEU A 25 1.334 -10.567 15.687 1.00 21.04 H new ATOM 0 HD12 LEU A 25 1.010 -11.264 14.083 1.00 21.04 H new ATOM 0 HD13 LEU A 25 1.399 -9.535 14.239 1.00 21.04 H new ATOM 0 HD21 LEU A 25 -0.295 -9.094 16.794 1.00 55.43 H new ATOM 0 HD22 LEU A 25 -0.373 -7.967 15.419 1.00 55.43 H new ATOM 0 HD23 LEU A 25 -1.862 -8.721 16.037 1.00 55.43 H new ATOM 380 N THR A 26 -3.790 -10.321 11.592 1.00 15.44 N ATOM 381 CA THR A 26 -4.715 -9.707 10.603 1.00 31.42 C ATOM 382 C THR A 26 -4.771 -8.174 10.798 1.00 5.42 C ATOM 383 O THR A 26 -4.233 -7.652 11.783 1.00 40.14 O ATOM 384 CB THR A 26 -6.168 -10.289 10.696 1.00 73.51 C ATOM 385 OG1 THR A 26 -6.740 -10.001 11.983 1.00 33.31 O ATOM 386 CG2 THR A 26 -6.205 -11.806 10.449 1.00 22.34 C ATOM 0 H THR A 26 -4.242 -10.598 12.463 1.00 15.44 H new ATOM 0 HA THR A 26 -4.320 -9.947 9.616 1.00 31.42 H new ATOM 0 HB THR A 26 -6.753 -9.807 9.913 1.00 73.51 H new ATOM 0 HG1 THR A 26 -7.338 -10.731 12.246 1.00 33.31 H new ATOM 0 HG21 THR A 26 -7.233 -12.162 10.524 1.00 22.34 H new ATOM 0 HG22 THR A 26 -5.818 -12.022 9.453 1.00 22.34 H new ATOM 0 HG23 THR A 26 -5.591 -12.311 11.194 1.00 22.34 H new ATOM 394 N GLN A 27 -5.445 -7.467 9.862 1.00 33.32 N ATOM 395 CA GLN A 27 -5.523 -5.984 9.849 1.00 24.41 C ATOM 396 C GLN A 27 -5.990 -5.385 11.201 1.00 31.31 C ATOM 397 O GLN A 27 -5.329 -4.497 11.745 1.00 41.35 O ATOM 398 CB GLN A 27 -6.463 -5.511 8.703 1.00 74.54 C ATOM 399 CG GLN A 27 -6.683 -3.978 8.634 1.00 34.11 C ATOM 400 CD GLN A 27 -7.489 -3.511 7.419 1.00 72.42 C ATOM 401 OE1 GLN A 27 -8.349 -4.222 6.909 1.00 3.02 O ATOM 402 NE2 GLN A 27 -7.233 -2.295 6.965 1.00 11.12 N ATOM 0 H GLN A 27 -5.951 -7.907 9.093 1.00 33.32 H new ATOM 0 HA GLN A 27 -4.511 -5.618 9.678 1.00 24.41 H new ATOM 0 HB2 GLN A 27 -6.051 -5.848 7.752 1.00 74.54 H new ATOM 0 HB3 GLN A 27 -7.431 -5.998 8.822 1.00 74.54 H new ATOM 0 HG2 GLN A 27 -7.195 -3.655 9.541 1.00 34.11 H new ATOM 0 HG3 GLN A 27 -5.712 -3.484 8.623 1.00 34.11 H new ATOM 0 HE21 GLN A 27 -6.512 -1.726 7.409 1.00 11.12 H new ATOM 0 HE22 GLN A 27 -7.757 -1.926 6.171 1.00 11.12 H new ATOM 411 N LYS A 28 -7.103 -5.907 11.750 1.00 23.22 N ATOM 412 CA LYS A 28 -7.704 -5.384 13.004 1.00 5.13 C ATOM 413 C LYS A 28 -6.834 -5.698 14.260 1.00 63.54 C ATOM 414 O LYS A 28 -6.827 -4.921 15.225 1.00 23.52 O ATOM 415 CB LYS A 28 -9.154 -5.920 13.159 1.00 21.12 C ATOM 416 CG LYS A 28 -9.923 -5.400 14.402 1.00 63.01 C ATOM 417 CD LYS A 28 -11.435 -5.750 14.386 1.00 71.21 C ATOM 418 CE LYS A 28 -11.713 -7.257 14.251 1.00 23.32 C ATOM 419 NZ LYS A 28 -11.087 -8.059 15.333 1.00 4.10 N ATOM 0 H LYS A 28 -7.611 -6.694 11.347 1.00 23.22 H new ATOM 0 HA LYS A 28 -7.739 -4.297 12.930 1.00 5.13 H new ATOM 0 HB2 LYS A 28 -9.719 -5.655 12.265 1.00 21.12 H new ATOM 0 HB3 LYS A 28 -9.119 -7.009 13.203 1.00 21.12 H new ATOM 0 HG2 LYS A 28 -9.471 -5.819 15.301 1.00 63.01 H new ATOM 0 HG3 LYS A 28 -9.809 -4.318 14.463 1.00 63.01 H new ATOM 0 HD2 LYS A 28 -11.895 -5.384 15.304 1.00 71.21 H new ATOM 0 HD3 LYS A 28 -11.913 -5.225 13.559 1.00 71.21 H new ATOM 0 HE2 LYS A 28 -12.790 -7.425 14.258 1.00 23.32 H new ATOM 0 HE3 LYS A 28 -11.342 -7.605 13.287 1.00 23.32 H new ATOM 0 HZ1 LYS A 28 -11.307 -9.065 15.191 1.00 4.10 H new ATOM 0 HZ2 LYS A 28 -10.056 -7.924 15.313 1.00 4.10 H new ATOM 0 HZ3 LYS A 28 -11.459 -7.750 16.254 1.00 4.10 H new ATOM 433 N GLN A 29 -6.086 -6.817 14.231 1.00 60.32 N ATOM 434 CA GLN A 29 -5.112 -7.160 15.304 1.00 14.43 C ATOM 435 C GLN A 29 -3.920 -6.165 15.324 1.00 65.53 C ATOM 436 O GLN A 29 -3.504 -5.692 16.389 1.00 1.32 O ATOM 437 CB GLN A 29 -4.596 -8.615 15.128 1.00 75.24 C ATOM 438 CG GLN A 29 -5.646 -9.704 15.406 1.00 23.33 C ATOM 439 CD GLN A 29 -5.101 -11.122 15.206 1.00 62.21 C ATOM 440 OE1 GLN A 29 -4.542 -11.726 16.118 1.00 33.41 O ATOM 441 NE2 GLN A 29 -5.282 -11.674 14.023 1.00 41.05 N ATOM 0 H GLN A 29 -6.132 -7.504 13.479 1.00 60.32 H new ATOM 0 HA GLN A 29 -5.631 -7.084 16.260 1.00 14.43 H new ATOM 0 HB2 GLN A 29 -4.228 -8.735 14.109 1.00 75.24 H new ATOM 0 HB3 GLN A 29 -3.747 -8.769 15.794 1.00 75.24 H new ATOM 0 HG2 GLN A 29 -6.008 -9.600 16.429 1.00 23.33 H new ATOM 0 HG3 GLN A 29 -6.502 -9.553 14.748 1.00 23.33 H new ATOM 0 HE21 GLN A 29 -5.749 -11.151 13.282 1.00 41.05 H new ATOM 0 HE22 GLN A 29 -4.955 -12.624 13.848 1.00 41.05 H new ATOM 450 N ILE A 30 -3.388 -5.852 14.128 1.00 14.25 N ATOM 451 CA ILE A 30 -2.278 -4.879 13.960 1.00 52.51 C ATOM 452 C ILE A 30 -2.746 -3.436 14.275 1.00 65.33 C ATOM 453 O ILE A 30 -1.968 -2.628 14.779 1.00 31.31 O ATOM 454 CB ILE A 30 -1.674 -4.956 12.510 1.00 73.35 C ATOM 455 CG1 ILE A 30 -1.215 -6.413 12.202 1.00 12.21 C ATOM 456 CG2 ILE A 30 -0.498 -3.961 12.316 1.00 1.23 C ATOM 457 CD1 ILE A 30 -0.767 -6.663 10.776 1.00 43.10 C ATOM 0 H ILE A 30 -3.710 -6.261 13.251 1.00 14.25 H new ATOM 0 HA ILE A 30 -1.497 -5.146 14.671 1.00 52.51 H new ATOM 0 HB ILE A 30 -2.457 -4.669 11.808 1.00 73.35 H new ATOM 0 HG12 ILE A 30 -0.395 -6.667 12.873 1.00 12.21 H new ATOM 0 HG13 ILE A 30 -2.037 -7.091 12.432 1.00 12.21 H new ATOM 0 HG21 ILE A 30 -0.111 -4.048 11.301 1.00 1.23 H new ATOM 0 HG22 ILE A 30 -0.851 -2.943 12.484 1.00 1.23 H new ATOM 0 HG23 ILE A 30 0.295 -4.192 13.027 1.00 1.23 H new ATOM 0 HD11 ILE A 30 -0.468 -7.705 10.666 1.00 43.10 H new ATOM 0 HD12 ILE A 30 -1.589 -6.447 10.093 1.00 43.10 H new ATOM 0 HD13 ILE A 30 0.079 -6.017 10.542 1.00 43.10 H new ATOM 469 N LYS A 31 -4.028 -3.135 13.970 1.00 2.53 N ATOM 470 CA LYS A 31 -4.680 -1.847 14.336 1.00 4.11 C ATOM 471 C LYS A 31 -4.525 -1.538 15.845 1.00 30.45 C ATOM 472 O LYS A 31 -4.225 -0.408 16.220 1.00 24.42 O ATOM 473 CB LYS A 31 -6.193 -1.867 13.951 1.00 51.13 C ATOM 474 CG LYS A 31 -6.500 -1.595 12.457 1.00 55.13 C ATOM 475 CD LYS A 31 -6.214 -0.132 12.060 1.00 4.31 C ATOM 476 CE LYS A 31 -6.813 0.268 10.702 1.00 35.14 C ATOM 477 NZ LYS A 31 -6.703 1.731 10.476 1.00 12.25 N ATOM 0 H LYS A 31 -4.643 -3.773 13.465 1.00 2.53 H new ATOM 0 HA LYS A 31 -4.179 -1.058 13.775 1.00 4.11 H new ATOM 0 HB2 LYS A 31 -6.606 -2.840 14.219 1.00 51.13 H new ATOM 0 HB3 LYS A 31 -6.714 -1.123 14.553 1.00 51.13 H new ATOM 0 HG2 LYS A 31 -5.900 -2.262 11.837 1.00 55.13 H new ATOM 0 HG3 LYS A 31 -7.546 -1.827 12.255 1.00 55.13 H new ATOM 0 HD2 LYS A 31 -6.611 0.529 12.831 1.00 4.31 H new ATOM 0 HD3 LYS A 31 -5.135 0.023 12.031 1.00 4.31 H new ATOM 0 HE2 LYS A 31 -6.298 -0.266 9.903 1.00 35.14 H new ATOM 0 HE3 LYS A 31 -7.860 -0.031 10.661 1.00 35.14 H new ATOM 0 HZ1 LYS A 31 -7.642 2.120 10.254 1.00 12.25 H new ATOM 0 HZ2 LYS A 31 -6.333 2.188 11.334 1.00 12.25 H new ATOM 0 HZ3 LYS A 31 -6.057 1.912 9.681 1.00 12.25 H new ATOM 491 N LYS A 32 -4.716 -2.565 16.688 1.00 2.42 N ATOM 492 CA LYS A 32 -4.560 -2.440 18.154 1.00 51.02 C ATOM 493 C LYS A 32 -3.073 -2.226 18.549 1.00 71.50 C ATOM 494 O LYS A 32 -2.754 -1.321 19.331 1.00 21.01 O ATOM 495 CB LYS A 32 -5.136 -3.698 18.866 1.00 63.42 C ATOM 496 CG LYS A 32 -5.104 -3.649 20.417 1.00 71.44 C ATOM 497 CD LYS A 32 -5.890 -2.454 21.011 1.00 53.31 C ATOM 498 CE LYS A 32 -7.392 -2.481 20.667 1.00 61.32 C ATOM 499 NZ LYS A 32 -8.073 -3.700 21.185 1.00 45.34 N ATOM 0 H LYS A 32 -4.981 -3.501 16.380 1.00 2.42 H new ATOM 0 HA LYS A 32 -5.120 -1.563 18.478 1.00 51.02 H new ATOM 0 HB2 LYS A 32 -6.168 -3.838 18.544 1.00 63.42 H new ATOM 0 HB3 LYS A 32 -4.576 -4.572 18.534 1.00 63.42 H new ATOM 0 HG2 LYS A 32 -5.517 -4.578 20.811 1.00 71.44 H new ATOM 0 HG3 LYS A 32 -4.068 -3.594 20.750 1.00 71.44 H new ATOM 0 HD2 LYS A 32 -5.772 -2.453 22.095 1.00 53.31 H new ATOM 0 HD3 LYS A 32 -5.457 -1.524 20.643 1.00 53.31 H new ATOM 0 HE2 LYS A 32 -7.873 -1.596 21.083 1.00 61.32 H new ATOM 0 HE3 LYS A 32 -7.515 -2.432 19.585 1.00 61.32 H new ATOM 0 HZ1 LYS A 32 -9.095 -3.631 21.002 1.00 45.34 H new ATOM 0 HZ2 LYS A 32 -7.692 -4.541 20.706 1.00 45.34 H new ATOM 0 HZ3 LYS A 32 -7.909 -3.781 22.209 1.00 45.34 H new ATOM 513 N ALA A 33 -2.181 -3.058 17.978 1.00 41.15 N ATOM 514 CA ALA A 33 -0.731 -3.058 18.308 1.00 40.04 C ATOM 515 C ALA A 33 -0.024 -1.721 17.937 1.00 24.31 C ATOM 516 O ALA A 33 0.762 -1.175 18.725 1.00 63.13 O ATOM 517 CB ALA A 33 -0.049 -4.245 17.603 1.00 13.43 C ATOM 0 H ALA A 33 -2.439 -3.751 17.275 1.00 41.15 H new ATOM 0 HA ALA A 33 -0.639 -3.161 19.389 1.00 40.04 H new ATOM 0 HB1 ALA A 33 1.014 -4.248 17.843 1.00 13.43 H new ATOM 0 HB2 ALA A 33 -0.500 -5.178 17.942 1.00 13.43 H new ATOM 0 HB3 ALA A 33 -0.178 -4.151 16.525 1.00 13.43 H new ATOM 523 N THR A 34 -0.322 -1.210 16.734 1.00 24.11 N ATOM 524 CA THR A 34 0.336 -0.005 16.155 1.00 64.14 C ATOM 525 C THR A 34 -0.509 1.279 16.325 1.00 22.31 C ATOM 526 O THR A 34 -0.007 2.383 16.086 1.00 52.42 O ATOM 527 CB THR A 34 0.639 -0.219 14.638 1.00 42.41 C ATOM 528 OG1 THR A 34 -0.590 -0.394 13.903 1.00 33.11 O ATOM 529 CG2 THR A 34 1.548 -1.442 14.415 1.00 33.11 C ATOM 0 H THR A 34 -1.030 -1.616 16.122 1.00 24.11 H new ATOM 0 HA THR A 34 1.265 0.130 16.708 1.00 64.14 H new ATOM 0 HB THR A 34 1.158 0.668 14.276 1.00 42.41 H new ATOM 0 HG1 THR A 34 -1.025 -1.225 14.186 1.00 33.11 H new ATOM 0 HG21 THR A 34 1.740 -1.563 13.349 1.00 33.11 H new ATOM 0 HG22 THR A 34 2.492 -1.294 14.939 1.00 33.11 H new ATOM 0 HG23 THR A 34 1.056 -2.336 14.799 1.00 33.11 H new ATOM 537 N LYS A 35 -1.797 1.112 16.697 1.00 43.10 N ATOM 538 CA LYS A 35 -2.732 2.228 17.023 1.00 71.03 C ATOM 539 C LYS A 35 -3.006 3.159 15.807 1.00 42.52 C ATOM 540 O LYS A 35 -3.326 4.345 15.973 1.00 35.00 O ATOM 541 CB LYS A 35 -2.229 3.029 18.261 1.00 14.41 C ATOM 542 CG LYS A 35 -2.058 2.176 19.543 1.00 43.14 C ATOM 543 CD LYS A 35 -1.517 3.001 20.737 1.00 74.10 C ATOM 544 CE LYS A 35 -0.126 3.604 20.464 1.00 41.12 C ATOM 545 NZ LYS A 35 0.323 4.500 21.555 1.00 63.32 N ATOM 0 H LYS A 35 -2.228 0.191 16.782 1.00 43.10 H new ATOM 0 HA LYS A 35 -3.691 1.776 17.278 1.00 71.03 H new ATOM 0 HB2 LYS A 35 -1.273 3.492 18.016 1.00 14.41 H new ATOM 0 HB3 LYS A 35 -2.931 3.837 18.467 1.00 14.41 H new ATOM 0 HG2 LYS A 35 -3.018 1.737 19.814 1.00 43.14 H new ATOM 0 HG3 LYS A 35 -1.377 1.350 19.338 1.00 43.14 H new ATOM 0 HD2 LYS A 35 -2.218 3.804 20.965 1.00 74.10 H new ATOM 0 HD3 LYS A 35 -1.465 2.363 21.619 1.00 74.10 H new ATOM 0 HE2 LYS A 35 0.598 2.799 20.337 1.00 41.12 H new ATOM 0 HE3 LYS A 35 -0.151 4.161 19.527 1.00 41.12 H new ATOM 0 HZ1 LYS A 35 1.263 4.881 21.326 1.00 63.32 H new ATOM 0 HZ2 LYS A 35 -0.352 5.284 21.661 1.00 63.32 H new ATOM 0 HZ3 LYS A 35 0.374 3.965 22.445 1.00 63.32 H new ATOM 559 N LEU A 36 -2.938 2.585 14.588 1.00 3.31 N ATOM 560 CA LEU A 36 -3.154 3.337 13.332 1.00 52.32 C ATOM 561 C LEU A 36 -4.655 3.615 13.120 1.00 61.13 C ATOM 562 O LEU A 36 -5.459 2.686 13.019 1.00 63.23 O ATOM 563 CB LEU A 36 -2.555 2.567 12.126 1.00 53.32 C ATOM 564 CG LEU A 36 -1.005 2.372 12.165 1.00 0.43 C ATOM 565 CD1 LEU A 36 -0.511 1.577 10.940 1.00 60.44 C ATOM 566 CD2 LEU A 36 -0.270 3.724 12.297 1.00 52.40 C ATOM 0 H LEU A 36 -2.734 1.596 14.446 1.00 3.31 H new ATOM 0 HA LEU A 36 -2.640 4.295 13.409 1.00 52.32 H new ATOM 0 HB2 LEU A 36 -3.027 1.586 12.071 1.00 53.32 H new ATOM 0 HB3 LEU A 36 -2.815 3.098 11.211 1.00 53.32 H new ATOM 0 HG LEU A 36 -0.768 1.786 13.053 1.00 0.43 H new ATOM 0 HD11 LEU A 36 0.571 1.458 10.996 1.00 60.44 H new ATOM 0 HD12 LEU A 36 -0.984 0.595 10.929 1.00 60.44 H new ATOM 0 HD13 LEU A 36 -0.770 2.115 10.028 1.00 60.44 H new ATOM 0 HD21 LEU A 36 0.806 3.552 12.321 1.00 52.40 H new ATOM 0 HD22 LEU A 36 -0.517 4.357 11.445 1.00 52.40 H new ATOM 0 HD23 LEU A 36 -0.579 4.218 13.218 1.00 52.40 H new ATOM 578 N LYS A 37 -5.021 4.903 13.071 1.00 22.25 N ATOM 579 CA LYS A 37 -6.429 5.341 12.963 1.00 24.31 C ATOM 580 C LYS A 37 -7.027 5.016 11.575 1.00 33.24 C ATOM 581 O LYS A 37 -8.048 4.321 11.469 1.00 31.14 O ATOM 582 CB LYS A 37 -6.533 6.859 13.268 1.00 31.34 C ATOM 583 CG LYS A 37 -6.002 7.260 14.664 1.00 71.10 C ATOM 584 CD LYS A 37 -6.111 8.779 14.939 1.00 52.24 C ATOM 585 CE LYS A 37 -7.563 9.293 14.906 1.00 52.50 C ATOM 586 NZ LYS A 37 -8.411 8.637 15.935 1.00 65.15 N ATOM 0 H LYS A 37 -4.354 5.674 13.105 1.00 22.25 H new ATOM 0 HA LYS A 37 -7.013 4.788 13.699 1.00 24.31 H new ATOM 0 HB2 LYS A 37 -5.979 7.410 12.508 1.00 31.34 H new ATOM 0 HB3 LYS A 37 -7.576 7.165 13.186 1.00 31.34 H new ATOM 0 HG2 LYS A 37 -6.559 6.717 15.428 1.00 71.10 H new ATOM 0 HG3 LYS A 37 -4.959 6.954 14.752 1.00 71.10 H new ATOM 0 HD2 LYS A 37 -5.676 8.999 15.914 1.00 52.24 H new ATOM 0 HD3 LYS A 37 -5.523 9.320 14.198 1.00 52.24 H new ATOM 0 HE2 LYS A 37 -7.569 10.371 15.065 1.00 52.50 H new ATOM 0 HE3 LYS A 37 -7.988 9.114 13.918 1.00 52.50 H new ATOM 0 HZ1 LYS A 37 -9.356 9.071 15.935 1.00 65.15 H new ATOM 0 HZ2 LYS A 37 -8.496 7.623 15.720 1.00 65.15 H new ATOM 0 HZ3 LYS A 37 -7.975 8.757 16.872 1.00 65.15 H new ATOM 600 N ALA A 38 -6.345 5.476 10.514 1.00 40.54 N ATOM 601 CA ALA A 38 -6.832 5.353 9.122 1.00 23.43 C ATOM 602 C ALA A 38 -6.258 4.099 8.439 1.00 64.23 C ATOM 603 O ALA A 38 -5.201 3.580 8.832 1.00 24.32 O ATOM 604 CB ALA A 38 -6.490 6.619 8.316 1.00 51.13 C ATOM 0 H ALA A 38 -5.442 5.943 10.592 1.00 40.54 H new ATOM 0 HA ALA A 38 -7.916 5.247 9.153 1.00 23.43 H new ATOM 0 HB1 ALA A 38 -6.856 6.510 7.295 1.00 51.13 H new ATOM 0 HB2 ALA A 38 -6.962 7.485 8.780 1.00 51.13 H new ATOM 0 HB3 ALA A 38 -5.409 6.760 8.301 1.00 51.13 H new ATOM 610 N ASP A 39 -7.001 3.610 7.438 1.00 72.52 N ATOM 611 CA ASP A 39 -6.627 2.449 6.604 1.00 5.03 C ATOM 612 C ASP A 39 -5.300 2.702 5.841 1.00 22.24 C ATOM 613 O ASP A 39 -4.457 1.813 5.720 1.00 4.12 O ATOM 614 CB ASP A 39 -7.795 2.142 5.617 1.00 32.32 C ATOM 615 CG ASP A 39 -8.097 3.288 4.614 1.00 13.11 C ATOM 616 OD1 ASP A 39 -8.464 4.398 5.051 1.00 65.30 O ATOM 617 OD2 ASP A 39 -7.961 3.093 3.384 1.00 3.34 O ATOM 0 H ASP A 39 -7.899 4.016 7.176 1.00 72.52 H new ATOM 0 HA ASP A 39 -6.459 1.585 7.247 1.00 5.03 H new ATOM 0 HB2 ASP A 39 -7.555 1.238 5.057 1.00 32.32 H new ATOM 0 HB3 ASP A 39 -8.696 1.931 6.192 1.00 32.32 H new ATOM 622 N LYS A 40 -5.143 3.956 5.385 1.00 5.11 N ATOM 623 CA LYS A 40 -4.011 4.427 4.550 1.00 54.02 C ATOM 624 C LYS A 40 -2.643 4.179 5.231 1.00 53.55 C ATOM 625 O LYS A 40 -1.730 3.616 4.627 1.00 72.40 O ATOM 626 CB LYS A 40 -4.200 5.942 4.290 1.00 4.34 C ATOM 627 CG LYS A 40 -5.585 6.323 3.723 1.00 11.33 C ATOM 628 CD LYS A 40 -5.748 6.017 2.224 1.00 63.12 C ATOM 629 CE LYS A 40 -7.107 6.505 1.688 1.00 43.11 C ATOM 630 NZ LYS A 40 -8.249 5.766 2.293 1.00 2.10 N ATOM 0 H LYS A 40 -5.816 4.695 5.589 1.00 5.11 H new ATOM 0 HA LYS A 40 -4.009 3.867 3.615 1.00 54.02 H new ATOM 0 HB2 LYS A 40 -4.042 6.481 5.224 1.00 4.34 H new ATOM 0 HB3 LYS A 40 -3.431 6.278 3.594 1.00 4.34 H new ATOM 0 HG2 LYS A 40 -6.355 5.788 4.279 1.00 11.33 H new ATOM 0 HG3 LYS A 40 -5.754 7.387 3.888 1.00 11.33 H new ATOM 0 HD2 LYS A 40 -4.943 6.495 1.665 1.00 63.12 H new ATOM 0 HD3 LYS A 40 -5.656 4.943 2.060 1.00 63.12 H new ATOM 0 HE2 LYS A 40 -7.216 7.570 1.894 1.00 43.11 H new ATOM 0 HE3 LYS A 40 -7.132 6.386 0.605 1.00 43.11 H new ATOM 0 HZ1 LYS A 40 -9.009 5.666 1.590 1.00 2.10 H new ATOM 0 HZ2 LYS A 40 -7.931 4.823 2.596 1.00 2.10 H new ATOM 0 HZ3 LYS A 40 -8.606 6.292 3.116 1.00 2.10 H new ATOM 644 N ASP A 41 -2.544 4.614 6.498 1.00 22.31 N ATOM 645 CA ASP A 41 -1.340 4.448 7.350 1.00 12.01 C ATOM 646 C ASP A 41 -0.896 2.971 7.457 1.00 33.31 C ATOM 647 O ASP A 41 0.303 2.665 7.488 1.00 23.43 O ATOM 648 CB ASP A 41 -1.624 5.026 8.755 1.00 21.41 C ATOM 649 CG ASP A 41 -1.976 6.520 8.698 1.00 32.42 C ATOM 650 OD1 ASP A 41 -3.163 6.849 8.514 1.00 61.51 O ATOM 651 OD2 ASP A 41 -1.066 7.370 8.797 1.00 43.40 O ATOM 0 H ASP A 41 -3.306 5.099 6.972 1.00 22.31 H new ATOM 0 HA ASP A 41 -0.520 4.992 6.882 1.00 12.01 H new ATOM 0 HB2 ASP A 41 -2.446 4.477 9.215 1.00 21.41 H new ATOM 0 HB3 ASP A 41 -0.750 4.883 9.390 1.00 21.41 H new ATOM 656 N PHE A 42 -1.887 2.067 7.516 1.00 14.13 N ATOM 657 CA PHE A 42 -1.659 0.607 7.546 1.00 33.24 C ATOM 658 C PHE A 42 -1.040 0.089 6.213 1.00 41.13 C ATOM 659 O PHE A 42 -0.093 -0.700 6.230 1.00 33.04 O ATOM 660 CB PHE A 42 -2.999 -0.112 7.862 1.00 72.52 C ATOM 661 CG PHE A 42 -2.919 -1.635 7.913 1.00 53.22 C ATOM 662 CD1 PHE A 42 -2.169 -2.275 8.899 1.00 43.42 C ATOM 663 CD2 PHE A 42 -3.596 -2.430 6.981 1.00 52.23 C ATOM 664 CE1 PHE A 42 -2.098 -3.653 8.951 1.00 74.11 C ATOM 665 CE2 PHE A 42 -3.522 -3.810 7.039 1.00 4.52 C ATOM 666 CZ PHE A 42 -2.771 -4.420 8.026 1.00 23.23 C ATOM 0 H PHE A 42 -2.873 2.326 7.544 1.00 14.13 H new ATOM 0 HA PHE A 42 -0.936 0.382 8.330 1.00 33.24 H new ATOM 0 HB2 PHE A 42 -3.370 0.249 8.821 1.00 72.52 H new ATOM 0 HB3 PHE A 42 -3.733 0.173 7.108 1.00 72.52 H new ATOM 0 HD1 PHE A 42 -1.637 -1.686 9.631 1.00 43.42 H new ATOM 0 HD2 PHE A 42 -4.184 -1.960 6.207 1.00 52.23 H new ATOM 0 HE1 PHE A 42 -1.512 -4.132 9.721 1.00 74.11 H new ATOM 0 HE2 PHE A 42 -4.051 -4.410 6.314 1.00 4.52 H new ATOM 0 HZ PHE A 42 -2.712 -5.497 8.072 1.00 23.23 H new ATOM 676 N PHE A 43 -1.590 0.545 5.069 1.00 11.00 N ATOM 677 CA PHE A 43 -1.126 0.121 3.713 1.00 14.13 C ATOM 678 C PHE A 43 0.282 0.672 3.365 1.00 53.41 C ATOM 679 O PHE A 43 1.081 -0.018 2.735 1.00 53.32 O ATOM 680 CB PHE A 43 -2.137 0.557 2.621 1.00 24.04 C ATOM 681 CG PHE A 43 -3.570 0.095 2.867 1.00 54.21 C ATOM 682 CD1 PHE A 43 -3.856 -1.225 3.220 1.00 32.13 C ATOM 683 CD2 PHE A 43 -4.628 0.988 2.769 1.00 21.13 C ATOM 684 CE1 PHE A 43 -5.157 -1.626 3.459 1.00 61.32 C ATOM 685 CE2 PHE A 43 -5.920 0.586 3.008 1.00 21.15 C ATOM 686 CZ PHE A 43 -6.188 -0.720 3.356 1.00 51.43 C ATOM 0 H PHE A 43 -2.362 1.212 5.048 1.00 11.00 H new ATOM 0 HA PHE A 43 -1.061 -0.967 3.738 1.00 14.13 H new ATOM 0 HB2 PHE A 43 -2.127 1.644 2.547 1.00 24.04 H new ATOM 0 HB3 PHE A 43 -1.803 0.169 1.659 1.00 24.04 H new ATOM 0 HD1 PHE A 43 -3.052 -1.941 3.307 1.00 32.13 H new ATOM 0 HD2 PHE A 43 -4.433 2.016 2.500 1.00 21.13 H new ATOM 0 HE1 PHE A 43 -5.365 -2.651 3.727 1.00 61.32 H new ATOM 0 HE2 PHE A 43 -6.729 1.297 2.923 1.00 21.15 H new ATOM 0 HZ PHE A 43 -7.204 -1.032 3.547 1.00 51.43 H new ATOM 696 N LEU A 44 0.558 1.931 3.759 1.00 42.01 N ATOM 697 CA LEU A 44 1.887 2.572 3.576 1.00 14.41 C ATOM 698 C LEU A 44 2.934 1.960 4.541 1.00 5.34 C ATOM 699 O LEU A 44 4.123 1.880 4.207 1.00 10.14 O ATOM 700 CB LEU A 44 1.783 4.125 3.764 1.00 24.43 C ATOM 701 CG LEU A 44 1.303 4.951 2.515 1.00 44.15 C ATOM 702 CD1 LEU A 44 -0.114 4.551 2.035 1.00 61.33 C ATOM 703 CD2 LEU A 44 1.395 6.474 2.788 1.00 44.14 C ATOM 0 H LEU A 44 -0.128 2.535 4.212 1.00 42.01 H new ATOM 0 HA LEU A 44 2.222 2.378 2.557 1.00 14.41 H new ATOM 0 HB2 LEU A 44 1.098 4.324 4.589 1.00 24.43 H new ATOM 0 HB3 LEU A 44 2.762 4.499 4.065 1.00 24.43 H new ATOM 0 HG LEU A 44 1.983 4.705 1.699 1.00 44.15 H new ATOM 0 HD11 LEU A 44 -0.390 5.155 1.171 1.00 61.33 H new ATOM 0 HD12 LEU A 44 -0.120 3.497 1.757 1.00 61.33 H new ATOM 0 HD13 LEU A 44 -0.831 4.719 2.839 1.00 61.33 H new ATOM 0 HD21 LEU A 44 1.057 7.022 1.909 1.00 44.14 H new ATOM 0 HD22 LEU A 44 0.764 6.730 3.639 1.00 44.14 H new ATOM 0 HD23 LEU A 44 2.428 6.742 3.008 1.00 44.14 H new ATOM 715 N GLY A 45 2.469 1.534 5.733 1.00 12.52 N ATOM 716 CA GLY A 45 3.319 0.834 6.704 1.00 3.35 C ATOM 717 C GLY A 45 3.765 -0.551 6.215 1.00 31.22 C ATOM 718 O GLY A 45 4.957 -0.789 6.002 1.00 12.13 O ATOM 0 H GLY A 45 1.506 1.665 6.042 1.00 12.52 H new ATOM 0 HA2 GLY A 45 4.200 1.441 6.913 1.00 3.35 H new ATOM 0 HA3 GLY A 45 2.776 0.725 7.643 1.00 3.35 H new ATOM 722 N LEU A 46 2.788 -1.459 5.990 1.00 42.43 N ATOM 723 CA LEU A 46 3.068 -2.847 5.529 1.00 24.34 C ATOM 724 C LEU A 46 3.585 -2.853 4.066 1.00 32.52 C ATOM 725 O LEU A 46 4.257 -3.796 3.643 1.00 12.25 O ATOM 726 CB LEU A 46 1.802 -3.762 5.695 1.00 3.05 C ATOM 727 CG LEU A 46 0.719 -3.734 4.541 1.00 51.21 C ATOM 728 CD1 LEU A 46 0.999 -4.785 3.435 1.00 62.11 C ATOM 729 CD2 LEU A 46 -0.706 -3.899 5.092 1.00 21.14 C ATOM 0 H LEU A 46 1.796 -1.259 6.119 1.00 42.43 H new ATOM 0 HA LEU A 46 3.856 -3.260 6.159 1.00 24.34 H new ATOM 0 HB2 LEU A 46 2.144 -4.791 5.809 1.00 3.05 H new ATOM 0 HB3 LEU A 46 1.308 -3.485 6.626 1.00 3.05 H new ATOM 0 HG LEU A 46 0.796 -2.749 4.081 1.00 51.21 H new ATOM 0 HD11 LEU A 46 0.226 -4.722 2.669 1.00 62.11 H new ATOM 0 HD12 LEU A 46 1.972 -4.589 2.985 1.00 62.11 H new ATOM 0 HD13 LEU A 46 0.996 -5.783 3.873 1.00 62.11 H new ATOM 0 HD21 LEU A 46 -1.420 -3.874 4.268 1.00 21.14 H new ATOM 0 HD22 LEU A 46 -0.786 -4.853 5.613 1.00 21.14 H new ATOM 0 HD23 LEU A 46 -0.924 -3.087 5.786 1.00 21.14 H new ATOM 741 N GLY A 47 3.231 -1.803 3.303 1.00 54.21 N ATOM 742 CA GLY A 47 3.714 -1.622 1.926 1.00 72.24 C ATOM 743 C GLY A 47 5.212 -1.341 1.868 1.00 72.20 C ATOM 744 O GLY A 47 5.892 -1.699 0.900 1.00 1.10 O ATOM 0 H GLY A 47 2.607 -1.062 3.622 1.00 54.21 H new ATOM 0 HA2 GLY A 47 3.492 -2.517 1.345 1.00 72.24 H new ATOM 0 HA3 GLY A 47 3.174 -0.798 1.460 1.00 72.24 H new ATOM 748 N TRP A 48 5.729 -0.684 2.928 1.00 13.43 N ATOM 749 CA TRP A 48 7.176 -0.467 3.113 1.00 14.13 C ATOM 750 C TRP A 48 7.866 -1.783 3.588 1.00 62.44 C ATOM 751 O TRP A 48 9.046 -2.028 3.311 1.00 41.40 O ATOM 752 CB TRP A 48 7.422 0.692 4.110 1.00 53.21 C ATOM 753 CG TRP A 48 8.798 1.303 3.991 1.00 13.12 C ATOM 754 CD1 TRP A 48 9.956 0.887 4.586 1.00 12.13 C ATOM 755 CD2 TRP A 48 9.146 2.431 3.183 1.00 73.12 C ATOM 756 NE1 TRP A 48 10.997 1.691 4.197 1.00 70.42 N ATOM 757 CE2 TRP A 48 10.522 2.653 3.343 1.00 41.33 C ATOM 758 CE3 TRP A 48 8.413 3.281 2.346 1.00 22.11 C ATOM 759 CZ2 TRP A 48 11.185 3.684 2.684 1.00 74.13 C ATOM 760 CZ3 TRP A 48 9.073 4.302 1.696 1.00 1.24 C ATOM 761 CH2 TRP A 48 10.446 4.498 1.873 1.00 54.22 C ATOM 0 H TRP A 48 5.156 -0.291 3.675 1.00 13.43 H new ATOM 0 HA TRP A 48 7.617 -0.186 2.157 1.00 14.13 H new ATOM 0 HB2 TRP A 48 6.673 1.467 3.947 1.00 53.21 H new ATOM 0 HB3 TRP A 48 7.283 0.323 5.126 1.00 53.21 H new ATOM 0 HD1 TRP A 48 10.039 0.049 5.262 1.00 12.13 H new ATOM 0 HE1 TRP A 48 11.967 1.590 4.495 1.00 70.42 H new ATOM 0 HE3 TRP A 48 7.351 3.139 2.212 1.00 22.11 H new ATOM 0 HZ2 TRP A 48 12.247 3.835 2.809 1.00 74.13 H new ATOM 0 HZ3 TRP A 48 8.522 4.960 1.041 1.00 1.24 H new ATOM 0 HH2 TRP A 48 10.934 5.312 1.357 1.00 54.22 H new ATOM 772 N LEU A 49 7.109 -2.625 4.307 1.00 51.41 N ATOM 773 CA LEU A 49 7.533 -4.009 4.647 1.00 41.00 C ATOM 774 C LEU A 49 7.655 -4.881 3.367 1.00 32.33 C ATOM 775 O LEU A 49 8.529 -5.743 3.273 1.00 25.23 O ATOM 776 CB LEU A 49 6.540 -4.653 5.661 1.00 11.05 C ATOM 777 CG LEU A 49 6.745 -4.336 7.176 1.00 31.15 C ATOM 778 CD1 LEU A 49 6.962 -2.855 7.423 1.00 5.22 C ATOM 779 CD2 LEU A 49 5.560 -4.862 8.022 1.00 41.42 C ATOM 0 H LEU A 49 6.189 -2.376 4.672 1.00 51.41 H new ATOM 0 HA LEU A 49 8.516 -3.958 5.115 1.00 41.00 H new ATOM 0 HB2 LEU A 49 5.532 -4.343 5.387 1.00 11.05 H new ATOM 0 HB3 LEU A 49 6.586 -5.735 5.535 1.00 11.05 H new ATOM 0 HG LEU A 49 7.650 -4.856 7.489 1.00 31.15 H new ATOM 0 HD11 LEU A 49 7.100 -2.680 8.490 1.00 5.22 H new ATOM 0 HD12 LEU A 49 7.848 -2.522 6.883 1.00 5.22 H new ATOM 0 HD13 LEU A 49 6.093 -2.297 7.074 1.00 5.22 H new ATOM 0 HD21 LEU A 49 5.730 -4.627 9.073 1.00 41.42 H new ATOM 0 HD22 LEU A 49 4.637 -4.388 7.689 1.00 41.42 H new ATOM 0 HD23 LEU A 49 5.477 -5.942 7.901 1.00 41.42 H new ATOM 791 N LEU A 50 6.761 -4.648 2.391 1.00 41.15 N ATOM 792 CA LEU A 50 6.830 -5.292 1.061 1.00 65.40 C ATOM 793 C LEU A 50 7.978 -4.686 0.216 1.00 2.24 C ATOM 794 O LEU A 50 8.619 -5.403 -0.556 1.00 3.24 O ATOM 795 CB LEU A 50 5.475 -5.152 0.305 1.00 2.25 C ATOM 796 CG LEU A 50 4.267 -5.945 0.901 1.00 33.42 C ATOM 797 CD1 LEU A 50 2.956 -5.656 0.128 1.00 42.50 C ATOM 798 CD2 LEU A 50 4.568 -7.463 0.953 1.00 44.32 C ATOM 0 H LEU A 50 5.972 -4.011 2.498 1.00 41.15 H new ATOM 0 HA LEU A 50 7.033 -6.352 1.213 1.00 65.40 H new ATOM 0 HB2 LEU A 50 5.209 -4.096 0.272 1.00 2.25 H new ATOM 0 HB3 LEU A 50 5.622 -5.476 -0.725 1.00 2.25 H new ATOM 0 HG LEU A 50 4.121 -5.599 1.924 1.00 33.42 H new ATOM 0 HD11 LEU A 50 2.139 -6.225 0.572 1.00 42.50 H new ATOM 0 HD12 LEU A 50 2.728 -4.591 0.183 1.00 42.50 H new ATOM 0 HD13 LEU A 50 3.077 -5.948 -0.915 1.00 42.50 H new ATOM 0 HD21 LEU A 50 3.711 -7.990 1.372 1.00 44.32 H new ATOM 0 HD22 LEU A 50 4.763 -7.830 -0.055 1.00 44.32 H new ATOM 0 HD23 LEU A 50 5.443 -7.639 1.579 1.00 44.32 H new ATOM 810 N ARG A 51 8.220 -3.359 0.387 1.00 41.41 N ATOM 811 CA ARG A 51 9.205 -2.584 -0.425 1.00 55.43 C ATOM 812 C ARG A 51 10.653 -3.138 -0.301 1.00 43.23 C ATOM 813 O ARG A 51 11.386 -3.210 -1.291 1.00 4.20 O ATOM 814 CB ARG A 51 9.120 -1.037 -0.093 1.00 43.55 C ATOM 815 CG ARG A 51 10.164 -0.449 0.903 1.00 74.33 C ATOM 816 CD ARG A 51 11.317 0.325 0.231 1.00 2.51 C ATOM 817 NE ARG A 51 10.875 1.620 -0.286 1.00 22.12 N ATOM 818 CZ ARG A 51 11.470 2.310 -1.223 1.00 35.32 C ATOM 819 NH1 ARG A 51 12.481 1.842 -1.893 1.00 41.51 N ATOM 820 NH2 ARG A 51 11.010 3.465 -1.514 1.00 44.44 N ATOM 0 H ARG A 51 7.741 -2.795 1.089 1.00 41.41 H new ATOM 0 HA ARG A 51 8.931 -2.711 -1.472 1.00 55.43 H new ATOM 0 HB2 ARG A 51 9.206 -0.488 -1.031 1.00 43.55 H new ATOM 0 HB3 ARG A 51 8.126 -0.834 0.305 1.00 43.55 H new ATOM 0 HG2 ARG A 51 9.651 0.217 1.597 1.00 74.33 H new ATOM 0 HG3 ARG A 51 10.584 -1.263 1.493 1.00 74.33 H new ATOM 0 HD2 ARG A 51 12.121 0.477 0.951 1.00 2.51 H new ATOM 0 HD3 ARG A 51 11.728 -0.271 -0.584 1.00 2.51 H new ATOM 0 HE ARG A 51 10.029 2.019 0.120 1.00 22.12 H new ATOM 0 HH11 ARG A 51 12.835 0.906 -1.694 1.00 41.51 H new ATOM 0 HH12 ARG A 51 12.920 2.410 -2.617 1.00 41.51 H new ATOM 0 HH21 ARG A 51 10.196 3.829 -1.019 1.00 44.44 H new ATOM 0 HH22 ARG A 51 11.457 4.023 -2.242 1.00 44.44 H new ATOM 834 N GLU A 52 11.043 -3.526 0.930 1.00 61.51 N ATOM 835 CA GLU A 52 12.374 -4.129 1.222 1.00 15.11 C ATOM 836 C GLU A 52 12.287 -5.653 1.441 1.00 32.22 C ATOM 837 O GLU A 52 13.284 -6.282 1.829 1.00 41.14 O ATOM 838 CB GLU A 52 13.001 -3.438 2.462 1.00 51.12 C ATOM 839 CG GLU A 52 13.369 -1.957 2.241 1.00 61.40 C ATOM 840 CD GLU A 52 13.909 -1.269 3.498 1.00 42.51 C ATOM 841 OE1 GLU A 52 14.982 -1.681 3.994 1.00 22.00 O ATOM 842 OE2 GLU A 52 13.262 -0.328 4.010 1.00 53.13 O ATOM 0 H GLU A 52 10.450 -3.433 1.754 1.00 61.51 H new ATOM 0 HA GLU A 52 13.011 -3.968 0.352 1.00 15.11 H new ATOM 0 HB2 GLU A 52 12.301 -3.507 3.295 1.00 51.12 H new ATOM 0 HB3 GLU A 52 13.898 -3.984 2.754 1.00 51.12 H new ATOM 0 HG2 GLU A 52 14.116 -1.890 1.450 1.00 61.40 H new ATOM 0 HG3 GLU A 52 12.487 -1.420 1.892 1.00 61.40 H new ATOM 849 N ASP A 53 11.085 -6.231 1.208 1.00 22.32 N ATOM 850 CA ASP A 53 10.831 -7.687 1.307 1.00 44.43 C ATOM 851 C ASP A 53 11.098 -8.222 2.734 1.00 54.14 C ATOM 852 O ASP A 53 11.608 -9.329 2.931 1.00 33.12 O ATOM 853 CB ASP A 53 11.627 -8.452 0.216 1.00 24.45 C ATOM 854 CG ASP A 53 11.212 -8.007 -1.195 1.00 24.44 C ATOM 855 OD1 ASP A 53 10.200 -8.515 -1.713 1.00 60.34 O ATOM 856 OD2 ASP A 53 11.878 -7.135 -1.791 1.00 23.31 O ATOM 0 H ASP A 53 10.258 -5.695 0.944 1.00 22.32 H new ATOM 0 HA ASP A 53 9.772 -7.865 1.118 1.00 44.43 H new ATOM 0 HB2 ASP A 53 12.694 -8.280 0.354 1.00 24.45 H new ATOM 0 HB3 ASP A 53 11.460 -9.524 0.325 1.00 24.45 H new ATOM 861 N LYS A 54 10.715 -7.398 3.725 1.00 51.54 N ATOM 862 CA LYS A 54 10.766 -7.735 5.162 1.00 34.32 C ATOM 863 C LYS A 54 9.691 -8.782 5.531 1.00 3.25 C ATOM 864 O LYS A 54 9.846 -9.524 6.511 1.00 24.21 O ATOM 865 CB LYS A 54 10.519 -6.452 6.005 1.00 73.11 C ATOM 866 CG LYS A 54 11.451 -5.262 5.685 1.00 1.31 C ATOM 867 CD LYS A 54 11.092 -3.995 6.503 1.00 13.34 C ATOM 868 CE LYS A 54 11.994 -2.796 6.172 1.00 71.54 C ATOM 869 NZ LYS A 54 13.431 -3.067 6.466 1.00 64.01 N ATOM 0 H LYS A 54 10.354 -6.461 3.548 1.00 51.54 H new ATOM 0 HA LYS A 54 11.751 -8.151 5.375 1.00 34.32 H new ATOM 0 HB2 LYS A 54 9.487 -6.134 5.858 1.00 73.11 H new ATOM 0 HB3 LYS A 54 10.628 -6.704 7.060 1.00 73.11 H new ATOM 0 HG2 LYS A 54 12.483 -5.546 5.893 1.00 1.31 H new ATOM 0 HG3 LYS A 54 11.392 -5.033 4.621 1.00 1.31 H new ATOM 0 HD2 LYS A 54 10.053 -3.726 6.310 1.00 13.34 H new ATOM 0 HD3 LYS A 54 11.171 -4.220 7.566 1.00 13.34 H new ATOM 0 HE2 LYS A 54 11.883 -2.542 5.118 1.00 71.54 H new ATOM 0 HE3 LYS A 54 11.666 -1.929 6.745 1.00 71.54 H new ATOM 0 HZ1 LYS A 54 13.813 -2.305 7.062 1.00 64.01 H new ATOM 0 HZ2 LYS A 54 13.518 -3.975 6.966 1.00 64.01 H new ATOM 0 HZ3 LYS A 54 13.965 -3.110 5.575 1.00 64.01 H new ATOM 883 N VAL A 55 8.595 -8.838 4.733 1.00 12.52 N ATOM 884 CA VAL A 55 7.413 -9.681 5.042 1.00 4.02 C ATOM 885 C VAL A 55 6.903 -10.487 3.827 1.00 34.40 C ATOM 886 O VAL A 55 7.272 -10.248 2.670 1.00 33.33 O ATOM 887 CB VAL A 55 6.202 -8.846 5.616 1.00 73.22 C ATOM 888 CG1 VAL A 55 6.587 -8.118 6.919 1.00 42.45 C ATOM 889 CG2 VAL A 55 5.612 -7.878 4.557 1.00 65.20 C ATOM 0 H VAL A 55 8.506 -8.307 3.867 1.00 12.52 H new ATOM 0 HA VAL A 55 7.775 -10.373 5.802 1.00 4.02 H new ATOM 0 HB VAL A 55 5.410 -9.552 5.866 1.00 73.22 H new ATOM 0 HG11 VAL A 55 5.731 -7.553 7.287 1.00 42.45 H new ATOM 0 HG12 VAL A 55 6.888 -8.849 7.669 1.00 42.45 H new ATOM 0 HG13 VAL A 55 7.415 -7.436 6.724 1.00 42.45 H new ATOM 0 HG21 VAL A 55 4.781 -7.323 4.994 1.00 65.20 H new ATOM 0 HG22 VAL A 55 6.384 -7.180 4.232 1.00 65.20 H new ATOM 0 HG23 VAL A 55 5.256 -8.450 3.700 1.00 65.20 H new ATOM 899 N VAL A 56 6.034 -11.445 4.159 1.00 0.15 N ATOM 900 CA VAL A 56 5.218 -12.211 3.222 1.00 62.32 C ATOM 901 C VAL A 56 3.742 -12.168 3.677 1.00 5.10 C ATOM 902 O VAL A 56 3.437 -12.265 4.868 1.00 72.55 O ATOM 903 CB VAL A 56 5.749 -13.688 3.079 1.00 34.33 C ATOM 904 CG1 VAL A 56 5.845 -14.408 4.452 1.00 31.11 C ATOM 905 CG2 VAL A 56 4.906 -14.501 2.052 1.00 54.32 C ATOM 0 H VAL A 56 5.875 -11.717 5.129 1.00 0.15 H new ATOM 0 HA VAL A 56 5.287 -11.761 2.232 1.00 62.32 H new ATOM 0 HB VAL A 56 6.764 -13.628 2.687 1.00 34.33 H new ATOM 0 HG11 VAL A 56 6.215 -15.423 4.306 1.00 31.11 H new ATOM 0 HG12 VAL A 56 6.529 -13.862 5.102 1.00 31.11 H new ATOM 0 HG13 VAL A 56 4.858 -14.445 4.913 1.00 31.11 H new ATOM 0 HG21 VAL A 56 5.300 -15.515 1.979 1.00 54.32 H new ATOM 0 HG22 VAL A 56 3.868 -14.538 2.382 1.00 54.32 H new ATOM 0 HG23 VAL A 56 4.959 -14.020 1.075 1.00 54.32 H new ATOM 915 N THR A 57 2.824 -12.026 2.718 1.00 21.20 N ATOM 916 CA THR A 57 1.391 -11.799 2.995 1.00 12.41 C ATOM 917 C THR A 57 0.577 -13.103 2.835 1.00 43.22 C ATOM 918 O THR A 57 1.120 -14.137 2.430 1.00 24.54 O ATOM 919 CB THR A 57 0.825 -10.701 2.030 1.00 71.11 C ATOM 920 OG1 THR A 57 0.975 -11.126 0.663 1.00 55.05 O ATOM 921 CG2 THR A 57 1.536 -9.345 2.214 1.00 53.23 C ATOM 0 H THR A 57 3.047 -12.064 1.723 1.00 21.20 H new ATOM 0 HA THR A 57 1.297 -11.461 4.027 1.00 12.41 H new ATOM 0 HB THR A 57 -0.229 -10.569 2.274 1.00 71.11 H new ATOM 0 HG1 THR A 57 1.657 -10.577 0.223 1.00 55.05 H new ATOM 0 HG21 THR A 57 1.111 -8.615 1.525 1.00 53.23 H new ATOM 0 HG22 THR A 57 1.400 -8.999 3.239 1.00 53.23 H new ATOM 0 HG23 THR A 57 2.600 -9.461 2.009 1.00 53.23 H new ATOM 929 N SER A 58 -0.697 -13.052 3.238 1.00 21.42 N ATOM 930 CA SER A 58 -1.683 -14.140 3.026 1.00 2.21 C ATOM 931 C SER A 58 -3.108 -13.602 3.224 1.00 40.04 C ATOM 932 O SER A 58 -3.302 -12.506 3.758 1.00 75.54 O ATOM 933 CB SER A 58 -1.438 -15.342 3.986 1.00 11.41 C ATOM 934 OG SER A 58 -2.360 -16.402 3.753 1.00 31.34 O ATOM 0 H SER A 58 -1.087 -12.247 3.728 1.00 21.42 H new ATOM 0 HA SER A 58 -1.561 -14.499 2.004 1.00 2.21 H new ATOM 0 HB2 SER A 58 -0.420 -15.710 3.855 1.00 11.41 H new ATOM 0 HB3 SER A 58 -1.525 -15.005 5.019 1.00 11.41 H new ATOM 0 HG SER A 58 -2.175 -17.139 4.372 1.00 31.34 H new ATOM 940 N GLU A 59 -4.098 -14.374 2.774 1.00 40.11 N ATOM 941 CA GLU A 59 -5.531 -14.035 2.906 1.00 75.21 C ATOM 942 C GLU A 59 -6.195 -14.972 3.937 1.00 75.54 C ATOM 943 O GLU A 59 -6.180 -16.186 3.770 1.00 50.13 O ATOM 944 CB GLU A 59 -6.208 -14.134 1.498 1.00 43.23 C ATOM 945 CG GLU A 59 -7.756 -13.959 1.449 1.00 43.24 C ATOM 946 CD GLU A 59 -8.542 -15.285 1.570 1.00 22.44 C ATOM 947 OE1 GLU A 59 -8.557 -16.061 0.593 1.00 45.10 O ATOM 948 OE2 GLU A 59 -9.134 -15.565 2.634 1.00 61.14 O ATOM 0 H GLU A 59 -3.935 -15.263 2.302 1.00 40.11 H new ATOM 0 HA GLU A 59 -5.652 -13.015 3.270 1.00 75.21 H new ATOM 0 HB2 GLU A 59 -5.760 -13.379 0.852 1.00 43.23 H new ATOM 0 HB3 GLU A 59 -5.962 -15.106 1.070 1.00 43.23 H new ATOM 0 HG2 GLU A 59 -8.062 -13.292 2.255 1.00 43.24 H new ATOM 0 HG3 GLU A 59 -8.027 -13.472 0.512 1.00 43.24 H new ATOM 955 N VAL A 60 -6.727 -14.409 5.030 1.00 74.42 N ATOM 956 CA VAL A 60 -7.588 -15.154 5.985 1.00 33.52 C ATOM 957 C VAL A 60 -8.988 -14.516 6.010 1.00 32.35 C ATOM 958 O VAL A 60 -9.145 -13.379 6.460 1.00 1.34 O ATOM 959 CB VAL A 60 -6.972 -15.193 7.440 1.00 43.41 C ATOM 960 CG1 VAL A 60 -7.967 -15.755 8.495 1.00 72.43 C ATOM 961 CG2 VAL A 60 -5.660 -16.008 7.456 1.00 23.35 C ATOM 0 H VAL A 60 -6.580 -13.432 5.284 1.00 74.42 H new ATOM 0 HA VAL A 60 -7.657 -16.187 5.644 1.00 33.52 H new ATOM 0 HB VAL A 60 -6.757 -14.161 7.717 1.00 43.41 H new ATOM 0 HG11 VAL A 60 -7.493 -15.760 9.476 1.00 72.43 H new ATOM 0 HG12 VAL A 60 -8.858 -15.128 8.525 1.00 72.43 H new ATOM 0 HG13 VAL A 60 -8.249 -16.772 8.224 1.00 72.43 H new ATOM 0 HG21 VAL A 60 -5.253 -16.022 8.467 1.00 23.35 H new ATOM 0 HG22 VAL A 60 -5.862 -17.029 7.132 1.00 23.35 H new ATOM 0 HG23 VAL A 60 -4.938 -15.549 6.780 1.00 23.35 H new ATOM 971 N GLU A 61 -9.991 -15.263 5.495 1.00 74.55 N ATOM 972 CA GLU A 61 -11.424 -14.888 5.553 1.00 11.55 C ATOM 973 C GLU A 61 -11.741 -13.574 4.781 1.00 34.02 C ATOM 974 O GLU A 61 -12.654 -12.823 5.155 1.00 50.21 O ATOM 975 CB GLU A 61 -11.869 -14.812 7.042 1.00 3.05 C ATOM 976 CG GLU A 61 -11.731 -16.147 7.804 1.00 20.10 C ATOM 977 CD GLU A 61 -12.761 -17.202 7.360 1.00 10.42 C ATOM 978 OE1 GLU A 61 -13.968 -17.021 7.642 1.00 54.10 O ATOM 979 OE2 GLU A 61 -12.375 -18.216 6.739 1.00 50.24 O ATOM 0 H GLU A 61 -9.828 -16.152 5.023 1.00 74.55 H new ATOM 0 HA GLU A 61 -12.000 -15.661 5.044 1.00 11.55 H new ATOM 0 HB2 GLU A 61 -11.276 -14.052 7.550 1.00 3.05 H new ATOM 0 HB3 GLU A 61 -12.908 -14.486 7.084 1.00 3.05 H new ATOM 0 HG2 GLU A 61 -10.726 -16.542 7.654 1.00 20.10 H new ATOM 0 HG3 GLU A 61 -11.845 -15.963 8.872 1.00 20.10 H new ATOM 986 N GLY A 62 -11.024 -13.354 3.654 1.00 21.44 N ATOM 987 CA GLY A 62 -11.131 -12.111 2.864 1.00 51.50 C ATOM 988 C GLY A 62 -10.413 -10.897 3.488 1.00 4.34 C ATOM 989 O GLY A 62 -10.633 -9.755 3.066 1.00 3.54 O ATOM 0 H GLY A 62 -10.361 -14.029 3.272 1.00 21.44 H new ATOM 0 HA2 GLY A 62 -10.720 -12.290 1.870 1.00 51.50 H new ATOM 0 HA3 GLY A 62 -12.185 -11.867 2.734 1.00 51.50 H new ATOM 993 N GLU A 63 -9.550 -11.150 4.494 1.00 1.31 N ATOM 994 CA GLU A 63 -8.853 -10.092 5.279 1.00 24.13 C ATOM 995 C GLU A 63 -7.320 -10.160 5.072 1.00 61.01 C ATOM 996 O GLU A 63 -6.762 -11.238 4.818 1.00 33.02 O ATOM 997 CB GLU A 63 -9.202 -10.246 6.789 1.00 53.22 C ATOM 998 CG GLU A 63 -10.716 -10.272 7.074 1.00 1.11 C ATOM 999 CD GLU A 63 -11.057 -10.540 8.548 1.00 54.23 C ATOM 1000 OE1 GLU A 63 -11.132 -9.571 9.338 1.00 53.50 O ATOM 1001 OE2 GLU A 63 -11.263 -11.712 8.923 1.00 3.13 O ATOM 0 H GLU A 63 -9.311 -12.096 4.791 1.00 1.31 H new ATOM 0 HA GLU A 63 -9.194 -9.119 4.926 1.00 24.13 H new ATOM 0 HB2 GLU A 63 -8.755 -11.166 7.164 1.00 53.22 H new ATOM 0 HB3 GLU A 63 -8.751 -9.423 7.343 1.00 53.22 H new ATOM 0 HG2 GLU A 63 -11.150 -9.318 6.776 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -11.181 -11.040 6.456 1.00 1.11 H new ATOM 1008 N ILE A 64 -6.658 -8.993 5.188 1.00 11.32 N ATOM 1009 CA ILE A 64 -5.194 -8.869 5.030 1.00 53.13 C ATOM 1010 C ILE A 64 -4.456 -9.459 6.261 1.00 21.11 C ATOM 1011 O ILE A 64 -4.539 -8.917 7.368 1.00 51.12 O ATOM 1012 CB ILE A 64 -4.776 -7.364 4.807 1.00 3.20 C ATOM 1013 CG1 ILE A 64 -5.532 -6.761 3.572 1.00 65.25 C ATOM 1014 CG2 ILE A 64 -3.239 -7.213 4.649 1.00 42.21 C ATOM 1015 CD1 ILE A 64 -5.253 -5.286 3.299 1.00 25.11 C ATOM 0 H ILE A 64 -7.122 -8.108 5.394 1.00 11.32 H new ATOM 0 HA ILE A 64 -4.903 -9.439 4.147 1.00 53.13 H new ATOM 0 HB ILE A 64 -5.065 -6.803 5.696 1.00 3.20 H new ATOM 0 HG12 ILE A 64 -5.264 -7.336 2.685 1.00 65.25 H new ATOM 0 HG13 ILE A 64 -6.604 -6.890 3.723 1.00 65.25 H new ATOM 0 HG21 ILE A 64 -2.990 -6.163 4.497 1.00 42.21 H new ATOM 0 HG22 ILE A 64 -2.743 -7.577 5.549 1.00 42.21 H new ATOM 0 HG23 ILE A 64 -2.903 -7.793 3.790 1.00 42.21 H new ATOM 0 HD11 ILE A 64 -5.821 -4.964 2.427 1.00 25.11 H new ATOM 0 HD12 ILE A 64 -5.549 -4.693 4.165 1.00 25.11 H new ATOM 0 HD13 ILE A 64 -4.189 -5.146 3.111 1.00 25.11 H new ATOM 1027 N PHE A 65 -3.766 -10.586 6.037 1.00 53.53 N ATOM 1028 CA PHE A 65 -2.994 -11.320 7.064 1.00 52.13 C ATOM 1029 C PHE A 65 -1.496 -11.332 6.667 1.00 60.53 C ATOM 1030 O PHE A 65 -1.083 -12.078 5.780 1.00 3.53 O ATOM 1031 CB PHE A 65 -3.567 -12.764 7.185 1.00 50.21 C ATOM 1032 CG PHE A 65 -2.848 -13.685 8.175 1.00 72.10 C ATOM 1033 CD1 PHE A 65 -3.108 -13.610 9.540 1.00 71.05 C ATOM 1034 CD2 PHE A 65 -1.923 -14.640 7.738 1.00 20.42 C ATOM 1035 CE1 PHE A 65 -2.472 -14.448 10.432 1.00 31.43 C ATOM 1036 CE2 PHE A 65 -1.290 -15.479 8.634 1.00 10.14 C ATOM 1037 CZ PHE A 65 -1.564 -15.383 9.981 1.00 23.45 C ATOM 0 H PHE A 65 -3.725 -11.027 5.118 1.00 53.53 H new ATOM 0 HA PHE A 65 -3.080 -10.832 8.035 1.00 52.13 H new ATOM 0 HB2 PHE A 65 -4.615 -12.696 7.477 1.00 50.21 H new ATOM 0 HB3 PHE A 65 -3.540 -13.229 6.200 1.00 50.21 H new ATOM 0 HD1 PHE A 65 -3.819 -12.884 9.907 1.00 71.05 H new ATOM 0 HD2 PHE A 65 -1.701 -14.722 6.684 1.00 20.42 H new ATOM 0 HE1 PHE A 65 -2.686 -14.372 11.488 1.00 31.43 H new ATOM 0 HE2 PHE A 65 -0.580 -16.211 8.279 1.00 10.14 H new ATOM 0 HZ PHE A 65 -1.069 -16.039 10.682 1.00 23.45 H new ATOM 1047 N VAL A 66 -0.687 -10.487 7.320 1.00 63.25 N ATOM 1048 CA VAL A 66 0.756 -10.330 6.986 1.00 54.42 C ATOM 1049 C VAL A 66 1.653 -10.911 8.109 1.00 53.43 C ATOM 1050 O VAL A 66 1.246 -10.967 9.273 1.00 62.22 O ATOM 1051 CB VAL A 66 1.122 -8.819 6.701 1.00 25.34 C ATOM 1052 CG1 VAL A 66 0.319 -8.266 5.500 1.00 43.11 C ATOM 1053 CG2 VAL A 66 0.902 -7.932 7.945 1.00 40.14 C ATOM 0 H VAL A 66 -0.999 -9.894 8.089 1.00 63.25 H new ATOM 0 HA VAL A 66 0.944 -10.895 6.073 1.00 54.42 H new ATOM 0 HB VAL A 66 2.183 -8.791 6.452 1.00 25.34 H new ATOM 0 HG11 VAL A 66 0.592 -7.225 5.328 1.00 43.11 H new ATOM 0 HG12 VAL A 66 0.546 -8.852 4.610 1.00 43.11 H new ATOM 0 HG13 VAL A 66 -0.748 -8.331 5.715 1.00 43.11 H new ATOM 0 HG21 VAL A 66 1.165 -6.901 7.708 1.00 40.14 H new ATOM 0 HG22 VAL A 66 -0.145 -7.980 8.245 1.00 40.14 H new ATOM 0 HG23 VAL A 66 1.530 -8.288 8.761 1.00 40.14 H new ATOM 1063 N LYS A 67 2.862 -11.381 7.730 1.00 12.22 N ATOM 1064 CA LYS A 67 3.876 -11.931 8.677 1.00 1.33 C ATOM 1065 C LYS A 67 5.275 -11.710 8.106 1.00 25.33 C ATOM 1066 O LYS A 67 5.400 -11.547 6.906 1.00 2.22 O ATOM 1067 CB LYS A 67 3.661 -13.455 8.965 1.00 22.11 C ATOM 1068 CG LYS A 67 3.474 -14.391 7.735 1.00 20.41 C ATOM 1069 CD LYS A 67 2.023 -14.388 7.193 1.00 74.24 C ATOM 1070 CE LYS A 67 1.790 -15.419 6.076 1.00 15.43 C ATOM 1071 NZ LYS A 67 2.608 -15.145 4.865 1.00 35.14 N ATOM 0 H LYS A 67 3.170 -11.393 6.758 1.00 12.22 H new ATOM 0 HA LYS A 67 3.762 -11.403 9.624 1.00 1.33 H new ATOM 0 HB2 LYS A 67 4.516 -13.815 9.537 1.00 22.11 H new ATOM 0 HB3 LYS A 67 2.784 -13.558 9.604 1.00 22.11 H new ATOM 0 HG2 LYS A 67 4.154 -14.081 6.942 1.00 20.41 H new ATOM 0 HG3 LYS A 67 3.751 -15.408 8.013 1.00 20.41 H new ATOM 0 HD2 LYS A 67 1.335 -14.590 8.014 1.00 74.24 H new ATOM 0 HD3 LYS A 67 1.785 -13.393 6.816 1.00 74.24 H new ATOM 0 HE2 LYS A 67 2.025 -16.415 6.451 1.00 15.43 H new ATOM 0 HE3 LYS A 67 0.735 -15.422 5.804 1.00 15.43 H new ATOM 0 HZ1 LYS A 67 2.012 -15.228 4.017 1.00 35.14 H new ATOM 0 HZ2 LYS A 67 2.999 -14.183 4.920 1.00 35.14 H new ATOM 0 HZ3 LYS A 67 3.387 -15.832 4.809 1.00 35.14 H new ATOM 1085 N LEU A 68 6.332 -11.724 8.950 1.00 75.22 N ATOM 1086 CA LEU A 68 7.734 -11.584 8.457 1.00 54.21 C ATOM 1087 C LEU A 68 8.117 -12.738 7.487 1.00 15.20 C ATOM 1088 O LEU A 68 7.422 -13.762 7.425 1.00 74.34 O ATOM 1089 CB LEU A 68 8.753 -11.539 9.633 1.00 62.40 C ATOM 1090 CG LEU A 68 8.587 -10.387 10.683 1.00 24.51 C ATOM 1091 CD1 LEU A 68 9.822 -10.293 11.608 1.00 1.11 C ATOM 1092 CD2 LEU A 68 8.294 -9.029 10.012 1.00 10.13 C ATOM 0 H LEU A 68 6.251 -11.829 9.961 1.00 75.22 H new ATOM 0 HA LEU A 68 7.779 -10.639 7.916 1.00 54.21 H new ATOM 0 HB2 LEU A 68 8.698 -12.490 10.163 1.00 62.40 H new ATOM 0 HB3 LEU A 68 9.755 -11.468 9.209 1.00 62.40 H new ATOM 0 HG LEU A 68 7.721 -10.637 11.296 1.00 24.51 H new ATOM 0 HD11 LEU A 68 9.678 -9.485 12.326 1.00 1.11 H new ATOM 0 HD12 LEU A 68 9.949 -11.235 12.142 1.00 1.11 H new ATOM 0 HD13 LEU A 68 10.711 -10.093 11.009 1.00 1.11 H new ATOM 0 HD21 LEU A 68 8.187 -8.261 10.778 1.00 10.13 H new ATOM 0 HD22 LEU A 68 9.117 -8.766 9.347 1.00 10.13 H new ATOM 0 HD23 LEU A 68 7.371 -9.099 9.436 1.00 10.13 H new ATOM 1104 N VAL A 69 9.211 -12.560 6.715 1.00 52.41 N ATOM 1105 CA VAL A 69 9.757 -13.645 5.864 1.00 10.41 C ATOM 1106 C VAL A 69 10.342 -14.772 6.759 1.00 70.03 C ATOM 1107 O VAL A 69 11.516 -14.753 7.153 1.00 15.21 O ATOM 1108 CB VAL A 69 10.824 -13.117 4.830 1.00 3.34 C ATOM 1109 CG1 VAL A 69 11.430 -14.262 3.973 1.00 40.55 C ATOM 1110 CG2 VAL A 69 10.209 -12.027 3.921 1.00 64.43 C ATOM 0 H VAL A 69 9.731 -11.684 6.662 1.00 52.41 H new ATOM 0 HA VAL A 69 8.937 -14.053 5.273 1.00 10.41 H new ATOM 0 HB VAL A 69 11.639 -12.679 5.406 1.00 3.34 H new ATOM 0 HG11 VAL A 69 12.159 -13.848 3.276 1.00 40.55 H new ATOM 0 HG12 VAL A 69 11.921 -14.984 4.625 1.00 40.55 H new ATOM 0 HG13 VAL A 69 10.636 -14.758 3.415 1.00 40.55 H new ATOM 0 HG21 VAL A 69 10.961 -11.676 3.215 1.00 64.43 H new ATOM 0 HG22 VAL A 69 9.364 -12.444 3.374 1.00 64.43 H new ATOM 0 HG23 VAL A 69 9.868 -11.192 4.533 1.00 64.43 H new ATOM 1120 N LEU A 70 9.456 -15.702 7.138 1.00 5.50 N ATOM 1121 CA LEU A 70 9.776 -16.871 7.972 1.00 31.12 C ATOM 1122 C LEU A 70 9.480 -18.163 7.180 1.00 51.00 C ATOM 1123 O LEU A 70 8.442 -18.270 6.515 1.00 4.22 O ATOM 1124 CB LEU A 70 8.998 -16.781 9.335 1.00 31.42 C ATOM 1125 CG LEU A 70 7.433 -16.547 9.289 1.00 45.22 C ATOM 1126 CD1 LEU A 70 6.628 -17.857 9.113 1.00 10.04 C ATOM 1127 CD2 LEU A 70 6.939 -15.754 10.527 1.00 51.51 C ATOM 0 H LEU A 70 8.473 -15.663 6.868 1.00 5.50 H new ATOM 0 HA LEU A 70 10.837 -16.889 8.222 1.00 31.12 H new ATOM 0 HB2 LEU A 70 9.181 -17.705 9.884 1.00 31.42 H new ATOM 0 HB3 LEU A 70 9.439 -15.972 9.917 1.00 31.42 H new ATOM 0 HG LEU A 70 7.246 -15.945 8.400 1.00 45.22 H new ATOM 0 HD11 LEU A 70 5.562 -17.629 9.089 1.00 10.04 H new ATOM 0 HD12 LEU A 70 6.917 -18.339 8.179 1.00 10.04 H new ATOM 0 HD13 LEU A 70 6.837 -18.527 9.947 1.00 10.04 H new ATOM 0 HD21 LEU A 70 5.860 -15.612 10.461 1.00 51.51 H new ATOM 0 HD22 LEU A 70 7.177 -16.310 11.434 1.00 51.51 H new ATOM 0 HD23 LEU A 70 7.432 -14.782 10.557 1.00 51.51 H new ATOM 1139 N GLU A 71 10.415 -19.124 7.213 1.00 51.13 N ATOM 1140 CA GLU A 71 10.295 -20.374 6.435 1.00 24.41 C ATOM 1141 C GLU A 71 9.362 -21.401 7.138 1.00 33.33 C ATOM 1142 O GLU A 71 9.780 -22.198 7.986 1.00 20.14 O ATOM 1143 CB GLU A 71 11.703 -20.957 6.114 1.00 62.54 C ATOM 1144 CG GLU A 71 12.611 -21.208 7.334 1.00 44.12 C ATOM 1145 CD GLU A 71 13.976 -21.800 6.950 1.00 61.23 C ATOM 1146 OE1 GLU A 71 14.011 -22.948 6.465 1.00 63.44 O ATOM 1147 OE2 GLU A 71 15.014 -21.127 7.131 1.00 71.23 O ATOM 0 H GLU A 71 11.267 -19.062 7.771 1.00 51.13 H new ATOM 0 HA GLU A 71 9.819 -20.142 5.482 1.00 24.41 H new ATOM 0 HB2 GLU A 71 11.574 -21.898 5.579 1.00 62.54 H new ATOM 0 HB3 GLU A 71 12.215 -20.273 5.437 1.00 62.54 H new ATOM 0 HG2 GLU A 71 12.764 -20.269 7.866 1.00 44.12 H new ATOM 0 HG3 GLU A 71 12.107 -21.886 8.023 1.00 44.12 H new ATOM 1154 N HIS A 72 8.063 -21.318 6.807 1.00 13.11 N ATOM 1155 CA HIS A 72 7.031 -22.278 7.254 1.00 62.41 C ATOM 1156 C HIS A 72 6.105 -22.634 6.073 1.00 24.13 C ATOM 1157 O HIS A 72 5.318 -21.795 5.611 1.00 33.32 O ATOM 1158 CB HIS A 72 6.217 -21.714 8.462 1.00 35.42 C ATOM 1159 CG HIS A 72 6.870 -21.941 9.798 1.00 24.30 C ATOM 1160 ND1 HIS A 72 8.011 -21.288 10.211 1.00 51.40 N ATOM 1161 CD2 HIS A 72 6.555 -22.796 10.802 1.00 3.34 C ATOM 1162 CE1 HIS A 72 8.367 -21.733 11.396 1.00 4.53 C ATOM 1163 NE2 HIS A 72 7.502 -22.649 11.780 1.00 12.05 N ATOM 0 H HIS A 72 7.692 -20.575 6.215 1.00 13.11 H new ATOM 0 HA HIS A 72 7.525 -23.187 7.598 1.00 62.41 H new ATOM 0 HB2 HIS A 72 6.068 -20.644 8.319 1.00 35.42 H new ATOM 0 HB3 HIS A 72 5.229 -22.175 8.469 1.00 35.42 H new ATOM 0 HD2 HIS A 72 5.711 -23.470 10.826 1.00 3.34 H new ATOM 0 HE1 HIS A 72 9.226 -21.402 11.961 1.00 4.53 H new ATOM 0 HE2 HIS A 72 7.533 -23.164 12.660 1.00 12.05 H new ATOM 1172 N HIS A 73 6.248 -23.877 5.570 1.00 25.41 N ATOM 1173 CA HIS A 73 5.387 -24.443 4.513 1.00 1.35 C ATOM 1174 C HIS A 73 3.919 -24.476 5.001 1.00 41.33 C ATOM 1175 O HIS A 73 3.543 -25.320 5.825 1.00 14.44 O ATOM 1176 CB HIS A 73 5.901 -25.862 4.131 1.00 62.23 C ATOM 1177 CG HIS A 73 5.138 -26.559 3.027 1.00 75.03 C ATOM 1178 ND1 HIS A 73 5.546 -26.561 1.710 1.00 35.21 N ATOM 1179 CD2 HIS A 73 4.012 -27.320 3.059 1.00 15.21 C ATOM 1180 CE1 HIS A 73 4.716 -27.284 0.990 1.00 2.23 C ATOM 1181 NE2 HIS A 73 3.776 -27.756 1.782 1.00 53.03 N ATOM 0 H HIS A 73 6.971 -24.522 5.889 1.00 25.41 H new ATOM 0 HA HIS A 73 5.427 -23.819 3.620 1.00 1.35 H new ATOM 0 HB2 HIS A 73 6.946 -25.782 3.831 1.00 62.23 H new ATOM 0 HB3 HIS A 73 5.872 -26.491 5.021 1.00 62.23 H new ATOM 0 HD2 HIS A 73 3.414 -27.540 3.931 1.00 15.21 H new ATOM 0 HE1 HIS A 73 4.793 -27.461 -0.073 1.00 2.23 H new ATOM 0 HE2 HIS A 73 2.999 -28.350 1.492 1.00 53.03 H new ATOM 1190 N HIS A 74 3.119 -23.512 4.520 1.00 30.51 N ATOM 1191 CA HIS A 74 1.712 -23.346 4.928 1.00 22.21 C ATOM 1192 C HIS A 74 0.787 -23.572 3.712 1.00 41.13 C ATOM 1193 O HIS A 74 0.907 -22.867 2.706 1.00 71.42 O ATOM 1194 CB HIS A 74 1.509 -21.925 5.534 1.00 22.51 C ATOM 1195 CG HIS A 74 0.248 -21.756 6.340 1.00 33.54 C ATOM 1196 ND1 HIS A 74 0.220 -21.906 7.711 1.00 34.51 N ATOM 1197 CD2 HIS A 74 -1.023 -21.442 5.977 1.00 42.21 C ATOM 1198 CE1 HIS A 74 -0.998 -21.688 8.156 1.00 72.41 C ATOM 1199 NE2 HIS A 74 -1.771 -21.407 7.128 1.00 41.33 N ATOM 0 H HIS A 74 3.429 -22.823 3.835 1.00 30.51 H new ATOM 0 HA HIS A 74 1.458 -24.083 5.690 1.00 22.21 H new ATOM 0 HB2 HIS A 74 2.363 -21.691 6.169 1.00 22.51 H new ATOM 0 HB3 HIS A 74 1.505 -21.197 4.723 1.00 22.51 H new ATOM 0 HD2 HIS A 74 -1.378 -21.255 4.974 1.00 42.21 H new ATOM 0 HE1 HIS A 74 -1.311 -21.732 9.189 1.00 72.41 H new ATOM 0 HE2 HIS A 74 -2.768 -21.197 7.179 1.00 41.33 H new ATOM 1208 N HIS A 75 -0.115 -24.563 3.809 1.00 51.31 N ATOM 1209 CA HIS A 75 -1.083 -24.883 2.740 1.00 22.21 C ATOM 1210 C HIS A 75 -2.143 -23.759 2.598 1.00 12.31 C ATOM 1211 O HIS A 75 -3.165 -23.755 3.298 1.00 11.25 O ATOM 1212 CB HIS A 75 -1.742 -26.264 3.008 1.00 53.13 C ATOM 1213 CG HIS A 75 -2.740 -26.692 1.955 1.00 35.31 C ATOM 1214 ND1 HIS A 75 -2.379 -27.008 0.659 1.00 62.23 N ATOM 1215 CD2 HIS A 75 -4.092 -26.830 2.001 1.00 22.20 C ATOM 1216 CE1 HIS A 75 -3.452 -27.313 -0.038 1.00 72.25 C ATOM 1217 NE2 HIS A 75 -4.501 -27.217 0.749 1.00 43.30 N ATOM 0 H HIS A 75 -0.196 -25.165 4.628 1.00 51.31 H new ATOM 0 HA HIS A 75 -0.550 -24.944 1.791 1.00 22.21 H new ATOM 0 HB2 HIS A 75 -0.959 -27.019 3.079 1.00 53.13 H new ATOM 0 HB3 HIS A 75 -2.243 -26.233 3.975 1.00 53.13 H new ATOM 0 HD2 HIS A 75 -4.725 -26.666 2.861 1.00 22.20 H new ATOM 0 HE1 HIS A 75 -3.469 -27.595 -1.080 1.00 72.25 H new ATOM 0 HE2 HIS A 75 -5.466 -27.401 0.473 1.00 43.30 H new ATOM 1226 N HIS A 76 -1.841 -22.786 1.722 1.00 44.52 N ATOM 1227 CA HIS A 76 -2.756 -21.687 1.374 1.00 45.23 C ATOM 1228 C HIS A 76 -2.368 -21.103 -0.009 1.00 62.40 C ATOM 1229 O HIS A 76 -1.248 -20.615 -0.189 1.00 45.32 O ATOM 1230 CB HIS A 76 -2.738 -20.575 2.465 1.00 63.24 C ATOM 1231 CG HIS A 76 -3.844 -19.561 2.308 1.00 23.02 C ATOM 1232 ND1 HIS A 76 -3.855 -18.600 1.315 1.00 72.44 N ATOM 1233 CD2 HIS A 76 -5.014 -19.414 2.976 1.00 3.12 C ATOM 1234 CE1 HIS A 76 -4.977 -17.920 1.376 1.00 31.52 C ATOM 1235 NE2 HIS A 76 -5.694 -18.391 2.371 1.00 75.13 N ATOM 0 H HIS A 76 -0.948 -22.740 1.232 1.00 44.52 H new ATOM 0 HA HIS A 76 -3.771 -22.082 1.323 1.00 45.23 H new ATOM 0 HB2 HIS A 76 -2.819 -21.040 3.448 1.00 63.24 H new ATOM 0 HB3 HIS A 76 -1.777 -20.061 2.433 1.00 63.24 H new ATOM 0 HD2 HIS A 76 -5.347 -19.994 3.824 1.00 3.12 H new ATOM 0 HE1 HIS A 76 -5.262 -17.111 0.720 1.00 31.52 H new ATOM 0 HE2 HIS A 76 -6.613 -18.048 2.649 1.00 75.13 H new ATOM 1244 N HIS A 77 -3.308 -21.146 -0.971 1.00 14.24 N ATOM 1245 CA HIS A 77 -3.093 -20.605 -2.342 1.00 23.44 C ATOM 1246 C HIS A 77 -3.059 -19.054 -2.375 1.00 62.14 C ATOM 1247 O HIS A 77 -3.774 -18.387 -1.624 1.00 63.53 O ATOM 1248 CB HIS A 77 -4.171 -21.163 -3.316 1.00 30.13 C ATOM 1249 CG HIS A 77 -5.600 -20.919 -2.905 1.00 54.33 C ATOM 1250 ND1 HIS A 77 -6.216 -19.691 -3.005 1.00 54.30 N ATOM 1251 CD2 HIS A 77 -6.537 -21.759 -2.403 1.00 5.42 C ATOM 1252 CE1 HIS A 77 -7.460 -19.785 -2.590 1.00 11.43 C ATOM 1253 NE2 HIS A 77 -7.682 -21.025 -2.221 1.00 72.32 N ATOM 0 H HIS A 77 -4.233 -21.551 -0.830 1.00 14.24 H new ATOM 0 HA HIS A 77 -2.110 -20.940 -2.672 1.00 23.44 H new ATOM 0 HB2 HIS A 77 -4.013 -20.720 -4.299 1.00 30.13 H new ATOM 0 HB3 HIS A 77 -4.019 -22.237 -3.422 1.00 30.13 H new ATOM 0 HD2 HIS A 77 -6.407 -22.809 -2.187 1.00 5.42 H new ATOM 0 HE1 HIS A 77 -8.178 -18.979 -2.558 1.00 11.43 H new ATOM 0 HE2 HIS A 77 -8.564 -21.385 -1.857 1.00 72.32 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 0.558 -19.764 -7.827 1.00 21.10 N ATOM 1264 CA MET B 1 -0.036 -19.251 -6.589 1.00 43.22 C ATOM 1265 C MET B 1 0.217 -17.727 -6.446 1.00 14.41 C ATOM 1266 O MET B 1 1.312 -17.314 -6.055 1.00 53.44 O ATOM 1267 CB MET B 1 0.537 -20.006 -5.351 1.00 34.51 C ATOM 1268 CG MET B 1 0.280 -21.517 -5.338 1.00 40.45 C ATOM 1269 SD MET B 1 -1.480 -21.929 -5.274 1.00 42.13 S ATOM 1270 CE MET B 1 -1.435 -23.712 -5.043 1.00 50.51 C ATOM 0 H1 MET B 1 0.263 -20.751 -7.971 1.00 21.10 H new ATOM 0 H2 MET B 1 0.238 -19.187 -8.631 1.00 21.10 H new ATOM 0 H3 MET B 1 1.595 -19.719 -7.759 1.00 21.10 H new ATOM 0 HA MET B 1 -1.112 -19.421 -6.637 1.00 43.22 H new ATOM 0 HB2 MET B 1 1.613 -19.835 -5.306 1.00 34.51 H new ATOM 0 HB3 MET B 1 0.107 -19.572 -4.448 1.00 34.51 H new ATOM 0 HG2 MET B 1 0.721 -21.963 -6.229 1.00 40.45 H new ATOM 0 HG3 MET B 1 0.783 -21.959 -4.478 1.00 40.45 H new ATOM 0 HE1 MET B 1 -2.453 -24.097 -4.987 1.00 50.51 H new ATOM 0 HE2 MET B 1 -0.918 -24.175 -5.883 1.00 50.51 H new ATOM 0 HE3 MET B 1 -0.907 -23.946 -4.119 1.00 50.51 H new ATOM 1280 N LYS B 2 -0.787 -16.899 -6.796 1.00 54.04 N ATOM 1281 CA LYS B 2 -0.711 -15.429 -6.611 1.00 65.24 C ATOM 1282 C LYS B 2 -1.057 -15.042 -5.157 1.00 64.14 C ATOM 1283 O LYS B 2 -2.110 -15.423 -4.636 1.00 34.21 O ATOM 1284 CB LYS B 2 -1.657 -14.681 -7.589 1.00 40.22 C ATOM 1285 CG LYS B 2 -1.264 -14.808 -9.071 1.00 62.53 C ATOM 1286 CD LYS B 2 -2.120 -13.905 -9.991 1.00 72.21 C ATOM 1287 CE LYS B 2 -1.661 -13.957 -11.457 1.00 64.24 C ATOM 1288 NZ LYS B 2 -1.719 -15.337 -12.013 1.00 60.24 N ATOM 0 H LYS B 2 -1.663 -17.220 -7.209 1.00 54.04 H new ATOM 0 HA LYS B 2 0.314 -15.129 -6.828 1.00 65.24 H new ATOM 0 HB2 LYS B 2 -2.670 -15.063 -7.460 1.00 40.22 H new ATOM 0 HB3 LYS B 2 -1.678 -13.625 -7.320 1.00 40.22 H new ATOM 0 HG2 LYS B 2 -0.212 -14.547 -9.188 1.00 62.53 H new ATOM 0 HG3 LYS B 2 -1.372 -15.846 -9.384 1.00 62.53 H new ATOM 0 HD2 LYS B 2 -3.164 -14.214 -9.929 1.00 72.21 H new ATOM 0 HD3 LYS B 2 -2.070 -12.876 -9.634 1.00 72.21 H new ATOM 0 HE2 LYS B 2 -2.289 -13.298 -12.057 1.00 64.24 H new ATOM 0 HE3 LYS B 2 -0.641 -13.579 -11.531 1.00 64.24 H new ATOM 0 HZ1 LYS B 2 -1.483 -15.314 -13.026 1.00 60.24 H new ATOM 0 HZ2 LYS B 2 -1.037 -15.942 -11.512 1.00 60.24 H new ATOM 0 HZ3 LYS B 2 -2.678 -15.721 -11.890 1.00 60.24 H new ATOM 1302 N MET B 3 -0.152 -14.290 -4.517 1.00 13.05 N ATOM 1303 CA MET B 3 -0.351 -13.768 -3.149 1.00 51.01 C ATOM 1304 C MET B 3 -0.715 -12.258 -3.200 1.00 33.32 C ATOM 1305 O MET B 3 -0.636 -11.624 -4.265 1.00 33.44 O ATOM 1306 CB MET B 3 0.942 -14.031 -2.310 1.00 10.24 C ATOM 1307 CG MET B 3 0.765 -14.105 -0.777 1.00 64.32 C ATOM 1308 SD MET B 3 0.153 -15.709 -0.163 1.00 42.41 S ATOM 1309 CE MET B 3 -1.612 -15.700 -0.514 1.00 71.02 C ATOM 0 H MET B 3 0.742 -14.023 -4.930 1.00 13.05 H new ATOM 0 HA MET B 3 -1.182 -14.282 -2.667 1.00 51.01 H new ATOM 0 HB2 MET B 3 1.384 -14.968 -2.648 1.00 10.24 H new ATOM 0 HB3 MET B 3 1.660 -13.242 -2.533 1.00 10.24 H new ATOM 0 HG2 MET B 3 1.723 -13.890 -0.303 1.00 64.32 H new ATOM 0 HG3 MET B 3 0.072 -13.323 -0.466 1.00 64.32 H new ATOM 0 HE1 MET B 3 -2.130 -16.328 0.211 1.00 71.02 H new ATOM 0 HE2 MET B 3 -1.991 -14.680 -0.447 1.00 71.02 H new ATOM 0 HE3 MET B 3 -1.785 -16.086 -1.518 1.00 71.02 H new ATOM 1319 N LEU B 4 -1.097 -11.686 -2.035 1.00 71.20 N ATOM 1320 CA LEU B 4 -1.449 -10.243 -1.896 1.00 44.44 C ATOM 1321 C LEU B 4 -0.255 -9.328 -2.300 1.00 34.21 C ATOM 1322 O LEU B 4 -0.449 -8.186 -2.719 1.00 72.21 O ATOM 1323 CB LEU B 4 -1.909 -9.912 -0.438 1.00 33.41 C ATOM 1324 CG LEU B 4 -3.302 -10.460 0.040 1.00 72.20 C ATOM 1325 CD1 LEU B 4 -3.387 -12.000 -0.010 1.00 1.22 C ATOM 1326 CD2 LEU B 4 -3.633 -9.939 1.464 1.00 15.33 C ATOM 0 H LEU B 4 -1.172 -12.207 -1.161 1.00 71.20 H new ATOM 0 HA LEU B 4 -2.279 -10.046 -2.575 1.00 44.44 H new ATOM 0 HB2 LEU B 4 -1.149 -10.291 0.246 1.00 33.41 H new ATOM 0 HB3 LEU B 4 -1.922 -8.827 -0.331 1.00 33.41 H new ATOM 0 HG LEU B 4 -4.047 -10.082 -0.660 1.00 72.20 H new ATOM 0 HD11 LEU B 4 -4.371 -12.321 0.331 1.00 1.22 H new ATOM 0 HD12 LEU B 4 -3.229 -12.340 -1.033 1.00 1.22 H new ATOM 0 HD13 LEU B 4 -2.621 -12.428 0.637 1.00 1.22 H new ATOM 0 HD21 LEU B 4 -4.601 -10.329 1.778 1.00 15.33 H new ATOM 0 HD22 LEU B 4 -2.864 -10.272 2.161 1.00 15.33 H new ATOM 0 HD23 LEU B 4 -3.666 -8.850 1.454 1.00 15.33 H new ATOM 1338 N LYS B 5 0.968 -9.874 -2.168 1.00 14.22 N ATOM 1339 CA LYS B 5 2.220 -9.227 -2.615 1.00 33.15 C ATOM 1340 C LYS B 5 2.311 -9.176 -4.164 1.00 64.23 C ATOM 1341 O LYS B 5 2.583 -8.117 -4.743 1.00 41.31 O ATOM 1342 CB LYS B 5 3.430 -10.020 -2.048 1.00 13.34 C ATOM 1343 CG LYS B 5 4.812 -9.583 -2.592 1.00 65.43 C ATOM 1344 CD LYS B 5 5.972 -10.488 -2.105 1.00 62.44 C ATOM 1345 CE LYS B 5 7.259 -10.281 -2.922 1.00 61.11 C ATOM 1346 NZ LYS B 5 7.729 -8.870 -2.895 1.00 53.12 N ATOM 0 H LYS B 5 1.119 -10.789 -1.743 1.00 14.22 H new ATOM 0 HA LYS B 5 2.231 -8.202 -2.245 1.00 33.15 H new ATOM 0 HB2 LYS B 5 3.435 -9.919 -0.963 1.00 13.34 H new ATOM 0 HB3 LYS B 5 3.287 -11.078 -2.269 1.00 13.34 H new ATOM 0 HG2 LYS B 5 4.786 -9.591 -3.682 1.00 65.43 H new ATOM 0 HG3 LYS B 5 5.008 -8.555 -2.286 1.00 65.43 H new ATOM 0 HD2 LYS B 5 6.174 -10.281 -1.054 1.00 62.44 H new ATOM 0 HD3 LYS B 5 5.667 -11.532 -2.171 1.00 62.44 H new ATOM 0 HE2 LYS B 5 8.043 -10.929 -2.530 1.00 61.11 H new ATOM 0 HE3 LYS B 5 7.083 -10.582 -3.955 1.00 61.11 H new ATOM 0 HZ1 LYS B 5 7.786 -8.504 -3.867 1.00 53.12 H new ATOM 0 HZ2 LYS B 5 7.061 -8.292 -2.346 1.00 53.12 H new ATOM 0 HZ3 LYS B 5 8.669 -8.826 -2.453 1.00 53.12 H new ATOM 1360 N GLU B 6 2.087 -10.337 -4.814 1.00 4.34 N ATOM 1361 CA GLU B 6 2.286 -10.489 -6.271 1.00 43.30 C ATOM 1362 C GLU B 6 1.294 -9.614 -7.077 1.00 21.43 C ATOM 1363 O GLU B 6 1.696 -8.889 -8.004 1.00 64.10 O ATOM 1364 CB GLU B 6 2.138 -11.971 -6.708 1.00 41.30 C ATOM 1365 CG GLU B 6 2.496 -12.209 -8.199 1.00 53.41 C ATOM 1366 CD GLU B 6 2.298 -13.650 -8.710 1.00 15.21 C ATOM 1367 OE1 GLU B 6 2.663 -14.607 -7.998 1.00 11.33 O ATOM 1368 OE2 GLU B 6 1.834 -13.828 -9.858 1.00 42.32 O ATOM 0 H GLU B 6 1.767 -11.187 -4.350 1.00 4.34 H new ATOM 0 HA GLU B 6 3.301 -10.154 -6.485 1.00 43.30 H new ATOM 0 HB2 GLU B 6 2.780 -12.593 -6.084 1.00 41.30 H new ATOM 0 HB3 GLU B 6 1.112 -12.294 -6.532 1.00 41.30 H new ATOM 0 HG2 GLU B 6 1.891 -11.539 -8.811 1.00 53.41 H new ATOM 0 HG3 GLU B 6 3.538 -11.928 -8.353 1.00 53.41 H new ATOM 1375 N LYS B 7 -0.003 -9.689 -6.706 1.00 13.50 N ATOM 1376 CA LYS B 7 -1.076 -8.918 -7.375 1.00 34.32 C ATOM 1377 C LYS B 7 -0.922 -7.396 -7.134 1.00 23.14 C ATOM 1378 O LYS B 7 -1.350 -6.597 -7.957 1.00 10.00 O ATOM 1379 CB LYS B 7 -2.485 -9.453 -6.959 1.00 73.04 C ATOM 1380 CG LYS B 7 -2.874 -9.329 -5.454 1.00 23.34 C ATOM 1381 CD LYS B 7 -3.568 -7.987 -5.100 1.00 2.33 C ATOM 1382 CE LYS B 7 -3.993 -7.917 -3.625 1.00 20.00 C ATOM 1383 NZ LYS B 7 -4.698 -6.650 -3.301 1.00 75.30 N ATOM 0 H LYS B 7 -0.334 -10.279 -5.943 1.00 13.50 H new ATOM 0 HA LYS B 7 -0.981 -9.066 -8.451 1.00 34.32 H new ATOM 0 HB2 LYS B 7 -3.235 -8.924 -7.547 1.00 73.04 H new ATOM 0 HB3 LYS B 7 -2.544 -10.505 -7.238 1.00 73.04 H new ATOM 0 HG2 LYS B 7 -3.538 -10.152 -5.190 1.00 23.34 H new ATOM 0 HG3 LYS B 7 -1.976 -9.436 -4.845 1.00 23.34 H new ATOM 0 HD2 LYS B 7 -2.890 -7.162 -5.319 1.00 2.33 H new ATOM 0 HD3 LYS B 7 -4.445 -7.856 -5.734 1.00 2.33 H new ATOM 0 HE2 LYS B 7 -4.644 -8.761 -3.396 1.00 20.00 H new ATOM 0 HE3 LYS B 7 -3.112 -8.013 -2.990 1.00 20.00 H new ATOM 0 HZ1 LYS B 7 -4.950 -6.641 -2.292 1.00 75.30 H new ATOM 0 HZ2 LYS B 7 -4.076 -5.843 -3.510 1.00 75.30 H new ATOM 0 HZ3 LYS B 7 -5.563 -6.577 -3.874 1.00 75.30 H new ATOM 1397 N ALA B 8 -0.293 -7.013 -6.001 1.00 13.23 N ATOM 1398 CA ALA B 8 0.064 -5.598 -5.714 1.00 21.04 C ATOM 1399 C ALA B 8 1.055 -5.052 -6.771 1.00 44.21 C ATOM 1400 O ALA B 8 0.905 -3.929 -7.262 1.00 23.22 O ATOM 1401 CB ALA B 8 0.662 -5.473 -4.304 1.00 72.43 C ATOM 0 H ALA B 8 -0.019 -7.664 -5.265 1.00 13.23 H new ATOM 0 HA ALA B 8 -0.847 -5.001 -5.762 1.00 21.04 H new ATOM 0 HB1 ALA B 8 0.918 -4.432 -4.108 1.00 72.43 H new ATOM 0 HB2 ALA B 8 -0.067 -5.812 -3.568 1.00 72.43 H new ATOM 0 HB3 ALA B 8 1.560 -6.087 -4.234 1.00 72.43 H new ATOM 1407 N GLY B 9 2.051 -5.889 -7.120 1.00 43.24 N ATOM 1408 CA GLY B 9 3.034 -5.572 -8.164 1.00 51.52 C ATOM 1409 C GLY B 9 2.451 -5.575 -9.581 1.00 61.41 C ATOM 1410 O GLY B 9 2.896 -4.812 -10.448 1.00 75.50 O ATOM 0 H GLY B 9 2.193 -6.801 -6.685 1.00 43.24 H new ATOM 0 HA2 GLY B 9 3.464 -4.591 -7.960 1.00 51.52 H new ATOM 0 HA3 GLY B 9 3.849 -6.294 -8.115 1.00 51.52 H new ATOM 1414 N ALA B 10 1.462 -6.457 -9.818 1.00 14.21 N ATOM 1415 CA ALA B 10 0.729 -6.530 -11.101 1.00 23.42 C ATOM 1416 C ALA B 10 -0.105 -5.245 -11.350 1.00 50.41 C ATOM 1417 O ALA B 10 0.021 -4.602 -12.402 1.00 33.13 O ATOM 1418 CB ALA B 10 -0.176 -7.774 -11.120 1.00 34.11 C ATOM 0 H ALA B 10 1.147 -7.139 -9.128 1.00 14.21 H new ATOM 0 HA ALA B 10 1.460 -6.610 -11.906 1.00 23.42 H new ATOM 0 HB1 ALA B 10 -0.712 -7.820 -12.068 1.00 34.11 H new ATOM 0 HB2 ALA B 10 0.434 -8.670 -11.005 1.00 34.11 H new ATOM 0 HB3 ALA B 10 -0.893 -7.715 -10.301 1.00 34.11 H new ATOM 1424 N LEU B 11 -0.930 -4.870 -10.347 1.00 41.34 N ATOM 1425 CA LEU B 11 -1.767 -3.645 -10.385 1.00 14.23 C ATOM 1426 C LEU B 11 -0.901 -2.370 -10.471 1.00 55.44 C ATOM 1427 O LEU B 11 -1.279 -1.403 -11.128 1.00 64.54 O ATOM 1428 CB LEU B 11 -2.685 -3.582 -9.135 1.00 73.03 C ATOM 1429 CG LEU B 11 -3.698 -4.760 -8.976 1.00 54.33 C ATOM 1430 CD1 LEU B 11 -4.487 -4.643 -7.657 1.00 45.34 C ATOM 1431 CD2 LEU B 11 -4.635 -4.875 -10.202 1.00 32.24 C ATOM 0 H LEU B 11 -1.036 -5.407 -9.486 1.00 41.34 H new ATOM 0 HA LEU B 11 -2.384 -3.693 -11.282 1.00 14.23 H new ATOM 0 HB2 LEU B 11 -2.055 -3.547 -8.246 1.00 73.03 H new ATOM 0 HB3 LEU B 11 -3.245 -2.647 -9.166 1.00 73.03 H new ATOM 0 HG LEU B 11 -3.124 -5.685 -8.929 1.00 54.33 H new ATOM 0 HD11 LEU B 11 -5.184 -5.477 -7.575 1.00 45.34 H new ATOM 0 HD12 LEU B 11 -3.794 -4.665 -6.816 1.00 45.34 H new ATOM 0 HD13 LEU B 11 -5.041 -3.705 -7.647 1.00 45.34 H new ATOM 0 HD21 LEU B 11 -5.326 -5.705 -10.055 1.00 32.24 H new ATOM 0 HD22 LEU B 11 -5.199 -3.950 -10.317 1.00 32.24 H new ATOM 0 HD23 LEU B 11 -4.041 -5.051 -11.099 1.00 32.24 H new ATOM 1443 N ALA B 12 0.279 -2.402 -9.819 1.00 44.30 N ATOM 1444 CA ALA B 12 1.258 -1.291 -9.850 1.00 3.32 C ATOM 1445 C ALA B 12 1.655 -0.892 -11.293 1.00 44.54 C ATOM 1446 O ALA B 12 1.823 0.294 -11.596 1.00 71.45 O ATOM 1447 CB ALA B 12 2.510 -1.673 -9.048 1.00 61.31 C ATOM 0 H ALA B 12 0.582 -3.197 -9.256 1.00 44.30 H new ATOM 0 HA ALA B 12 0.778 -0.424 -9.396 1.00 3.32 H new ATOM 0 HB1 ALA B 12 3.225 -0.851 -9.076 1.00 61.31 H new ATOM 0 HB2 ALA B 12 2.232 -1.877 -8.014 1.00 61.31 H new ATOM 0 HB3 ALA B 12 2.964 -2.563 -9.484 1.00 61.31 H new ATOM 1453 N GLY B 13 1.796 -1.903 -12.165 1.00 12.04 N ATOM 1454 CA GLY B 13 2.109 -1.687 -13.582 1.00 70.55 C ATOM 1455 C GLY B 13 1.072 -0.831 -14.334 1.00 43.24 C ATOM 1456 O GLY B 13 1.429 0.152 -14.994 1.00 70.21 O ATOM 0 H GLY B 13 1.697 -2.885 -11.908 1.00 12.04 H new ATOM 0 HA2 GLY B 13 3.084 -1.206 -13.658 1.00 70.55 H new ATOM 0 HA3 GLY B 13 2.192 -2.655 -14.076 1.00 70.55 H new ATOM 1460 N GLN B 14 -0.221 -1.199 -14.204 1.00 30.24 N ATOM 1461 CA GLN B 14 -1.333 -0.503 -14.903 1.00 42.11 C ATOM 1462 C GLN B 14 -1.645 0.886 -14.272 1.00 64.41 C ATOM 1463 O GLN B 14 -2.031 1.820 -14.984 1.00 31.33 O ATOM 1464 CB GLN B 14 -2.611 -1.399 -14.942 1.00 3.33 C ATOM 1465 CG GLN B 14 -3.250 -1.694 -13.569 1.00 11.34 C ATOM 1466 CD GLN B 14 -4.430 -2.675 -13.599 1.00 3.30 C ATOM 1467 OE1 GLN B 14 -5.367 -2.560 -12.818 1.00 50.42 O ATOM 1468 NE2 GLN B 14 -4.373 -3.679 -14.457 1.00 1.44 N ATOM 0 H GLN B 14 -0.525 -1.977 -13.619 1.00 30.24 H new ATOM 0 HA GLN B 14 -1.007 -0.322 -15.927 1.00 42.11 H new ATOM 0 HB2 GLN B 14 -3.355 -0.915 -15.574 1.00 3.33 H new ATOM 0 HB3 GLN B 14 -2.356 -2.346 -15.417 1.00 3.33 H new ATOM 0 HG2 GLN B 14 -2.482 -2.093 -12.906 1.00 11.34 H new ATOM 0 HG3 GLN B 14 -3.590 -0.754 -13.134 1.00 11.34 H new ATOM 0 HE21 GLN B 14 -3.584 -3.757 -15.099 1.00 1.44 H new ATOM 0 HE22 GLN B 14 -5.118 -4.376 -14.477 1.00 1.44 H new ATOM 1477 N ILE B 15 -1.471 1.020 -12.935 1.00 74.23 N ATOM 1478 CA ILE B 15 -1.648 2.317 -12.221 1.00 11.45 C ATOM 1479 C ILE B 15 -0.589 3.347 -12.691 1.00 42.33 C ATOM 1480 O ILE B 15 -0.915 4.505 -12.983 1.00 43.02 O ATOM 1481 CB ILE B 15 -1.578 2.126 -10.652 1.00 20.51 C ATOM 1482 CG1 ILE B 15 -2.736 1.197 -10.162 1.00 61.32 C ATOM 1483 CG2 ILE B 15 -1.610 3.484 -9.899 1.00 23.12 C ATOM 1484 CD1 ILE B 15 -2.675 0.817 -8.684 1.00 0.34 C ATOM 0 H ILE B 15 -1.208 0.247 -12.324 1.00 74.23 H new ATOM 0 HA ILE B 15 -2.639 2.699 -12.467 1.00 11.45 H new ATOM 0 HB ILE B 15 -0.624 1.651 -10.423 1.00 20.51 H new ATOM 0 HG12 ILE B 15 -3.687 1.694 -10.355 1.00 61.32 H new ATOM 0 HG13 ILE B 15 -2.726 0.284 -10.757 1.00 61.32 H new ATOM 0 HG21 ILE B 15 -1.560 3.306 -8.825 1.00 23.12 H new ATOM 0 HG22 ILE B 15 -0.758 4.091 -10.206 1.00 23.12 H new ATOM 0 HG23 ILE B 15 -2.535 4.010 -10.137 1.00 23.12 H new ATOM 0 HD11 ILE B 15 -3.519 0.172 -8.439 1.00 0.34 H new ATOM 0 HD12 ILE B 15 -1.743 0.288 -8.482 1.00 0.34 H new ATOM 0 HD13 ILE B 15 -2.719 1.719 -8.074 1.00 0.34 H new ATOM 1496 N TRP B 16 0.674 2.885 -12.795 1.00 1.44 N ATOM 1497 CA TRP B 16 1.794 3.694 -13.329 1.00 14.43 C ATOM 1498 C TRP B 16 1.546 4.101 -14.802 1.00 32.31 C ATOM 1499 O TRP B 16 1.828 5.230 -15.201 1.00 1.24 O ATOM 1500 CB TRP B 16 3.126 2.904 -13.243 1.00 52.43 C ATOM 1501 CG TRP B 16 4.329 3.726 -13.656 1.00 75.51 C ATOM 1502 CD1 TRP B 16 4.969 4.658 -12.897 1.00 62.42 C ATOM 1503 CD2 TRP B 16 4.998 3.723 -14.929 1.00 11.20 C ATOM 1504 NE1 TRP B 16 6.019 5.198 -13.594 1.00 61.23 N ATOM 1505 CE2 TRP B 16 6.050 4.651 -14.846 1.00 2.14 C ATOM 1506 CE3 TRP B 16 4.817 3.010 -16.119 1.00 12.13 C ATOM 1507 CZ2 TRP B 16 6.911 4.900 -15.910 1.00 1.32 C ATOM 1508 CZ3 TRP B 16 5.668 3.260 -17.179 1.00 33.13 C ATOM 1509 CH2 TRP B 16 6.708 4.193 -17.066 1.00 50.45 C ATOM 0 H TRP B 16 0.948 1.944 -12.513 1.00 1.44 H new ATOM 0 HA TRP B 16 1.859 4.596 -12.720 1.00 14.43 H new ATOM 0 HB2 TRP B 16 3.267 2.551 -12.221 1.00 52.43 H new ATOM 0 HB3 TRP B 16 3.060 2.021 -13.879 1.00 52.43 H new ATOM 0 HD1 TRP B 16 4.690 4.932 -11.891 1.00 62.42 H new ATOM 0 HE1 TRP B 16 6.672 5.895 -13.236 1.00 61.23 H new ATOM 0 HE3 TRP B 16 4.028 2.278 -16.208 1.00 12.13 H new ATOM 0 HZ2 TRP B 16 7.709 5.623 -15.828 1.00 1.32 H new ATOM 0 HZ3 TRP B 16 5.530 2.728 -18.109 1.00 33.13 H new ATOM 0 HH2 TRP B 16 7.363 4.358 -17.908 1.00 50.45 H new ATOM 1520 N GLU B 17 1.036 3.139 -15.588 1.00 12.01 N ATOM 1521 CA GLU B 17 0.732 3.314 -17.028 1.00 44.15 C ATOM 1522 C GLU B 17 -0.326 4.429 -17.252 1.00 74.54 C ATOM 1523 O GLU B 17 -0.229 5.208 -18.210 1.00 44.11 O ATOM 1524 CB GLU B 17 0.278 1.937 -17.604 1.00 11.01 C ATOM 1525 CG GLU B 17 0.109 1.840 -19.142 1.00 30.41 C ATOM 1526 CD GLU B 17 -1.258 2.316 -19.678 1.00 70.21 C ATOM 1527 OE1 GLU B 17 -2.290 1.720 -19.290 1.00 73.20 O ATOM 1528 OE2 GLU B 17 -1.313 3.276 -20.480 1.00 35.02 O ATOM 0 H GLU B 17 0.819 2.204 -15.242 1.00 12.01 H new ATOM 0 HA GLU B 17 1.624 3.643 -17.561 1.00 44.15 H new ATOM 0 HB2 GLU B 17 1.003 1.184 -17.295 1.00 11.01 H new ATOM 0 HB3 GLU B 17 -0.673 1.673 -17.141 1.00 11.01 H new ATOM 0 HG2 GLU B 17 0.894 2.429 -19.617 1.00 30.41 H new ATOM 0 HG3 GLU B 17 0.261 0.804 -19.445 1.00 30.41 H new ATOM 1535 N ALA B 18 -1.309 4.513 -16.334 1.00 11.24 N ATOM 1536 CA ALA B 18 -2.322 5.597 -16.330 1.00 25.31 C ATOM 1537 C ALA B 18 -1.669 6.990 -16.094 1.00 25.22 C ATOM 1538 O ALA B 18 -2.070 7.989 -16.700 1.00 20.43 O ATOM 1539 CB ALA B 18 -3.393 5.314 -15.260 1.00 70.21 C ATOM 0 H ALA B 18 -1.426 3.839 -15.578 1.00 11.24 H new ATOM 0 HA ALA B 18 -2.795 5.620 -17.312 1.00 25.31 H new ATOM 0 HB1 ALA B 18 -4.132 6.115 -15.264 1.00 70.21 H new ATOM 0 HB2 ALA B 18 -3.884 4.366 -15.479 1.00 70.21 H new ATOM 0 HB3 ALA B 18 -2.922 5.261 -14.279 1.00 70.21 H new ATOM 1545 N LEU B 19 -0.640 7.023 -15.225 1.00 25.20 N ATOM 1546 CA LEU B 19 0.112 8.252 -14.873 1.00 31.41 C ATOM 1547 C LEU B 19 1.191 8.594 -15.938 1.00 11.13 C ATOM 1548 O LEU B 19 1.651 9.742 -16.031 1.00 32.35 O ATOM 1549 CB LEU B 19 0.784 8.054 -13.489 1.00 61.44 C ATOM 1550 CG LEU B 19 -0.161 7.672 -12.312 1.00 34.02 C ATOM 1551 CD1 LEU B 19 0.646 7.379 -11.025 1.00 10.23 C ATOM 1552 CD2 LEU B 19 -1.232 8.760 -12.087 1.00 72.24 C ATOM 0 H LEU B 19 -0.301 6.192 -14.741 1.00 25.20 H new ATOM 0 HA LEU B 19 -0.590 9.085 -14.839 1.00 31.41 H new ATOM 0 HB2 LEU B 19 1.542 7.277 -13.585 1.00 61.44 H new ATOM 0 HB3 LEU B 19 1.303 8.976 -13.226 1.00 61.44 H new ATOM 0 HG LEU B 19 -0.685 6.754 -12.579 1.00 34.02 H new ATOM 0 HD11 LEU B 19 -0.038 7.115 -10.219 1.00 10.23 H new ATOM 0 HD12 LEU B 19 1.331 6.551 -11.206 1.00 10.23 H new ATOM 0 HD13 LEU B 19 1.215 8.265 -10.743 1.00 10.23 H new ATOM 0 HD21 LEU B 19 -1.879 8.468 -11.259 1.00 72.24 H new ATOM 0 HD22 LEU B 19 -0.745 9.706 -11.851 1.00 72.24 H new ATOM 0 HD23 LEU B 19 -1.830 8.875 -12.991 1.00 72.24 H new ATOM 1564 N ASN B 20 1.597 7.576 -16.724 1.00 73.11 N ATOM 1565 CA ASN B 20 2.650 7.709 -17.750 1.00 55.52 C ATOM 1566 C ASN B 20 2.153 8.546 -18.953 1.00 1.31 C ATOM 1567 O ASN B 20 1.080 8.280 -19.504 1.00 33.52 O ATOM 1568 CB ASN B 20 3.150 6.307 -18.199 1.00 51.31 C ATOM 1569 CG ASN B 20 4.258 6.371 -19.254 1.00 24.40 C ATOM 1570 OD1 ASN B 20 4.009 6.295 -20.452 1.00 11.15 O ATOM 1571 ND2 ASN B 20 5.485 6.555 -18.814 1.00 71.42 N ATOM 0 H ASN B 20 1.203 6.637 -16.665 1.00 73.11 H new ATOM 0 HA ASN B 20 3.493 8.242 -17.311 1.00 55.52 H new ATOM 0 HB2 ASN B 20 3.517 5.763 -17.328 1.00 51.31 H new ATOM 0 HB3 ASN B 20 2.309 5.739 -18.598 1.00 51.31 H new ATOM 0 HD21 ASN B 20 6.257 6.638 -19.476 1.00 71.42 H new ATOM 0 HD22 ASN B 20 5.664 6.615 -17.812 1.00 71.42 H new ATOM 1578 N GLY B 21 2.950 9.569 -19.333 1.00 15.43 N ATOM 1579 CA GLY B 21 2.616 10.473 -20.448 1.00 0.02 C ATOM 1580 C GLY B 21 1.538 11.524 -20.130 1.00 32.53 C ATOM 1581 O GLY B 21 1.155 12.306 -21.011 1.00 63.31 O ATOM 0 H GLY B 21 3.836 9.788 -18.877 1.00 15.43 H new ATOM 0 HA2 GLY B 21 3.523 10.988 -20.763 1.00 0.02 H new ATOM 0 HA3 GLY B 21 2.280 9.874 -21.294 1.00 0.02 H new ATOM 1585 N THR B 22 1.065 11.560 -18.870 1.00 45.41 N ATOM 1586 CA THR B 22 0.006 12.494 -18.414 1.00 32.01 C ATOM 1587 C THR B 22 0.536 13.457 -17.324 1.00 73.43 C ATOM 1588 O THR B 22 1.671 13.320 -16.836 1.00 50.43 O ATOM 1589 CB THR B 22 -1.250 11.726 -17.847 1.00 4.52 C ATOM 1590 OG1 THR B 22 -0.928 11.086 -16.596 1.00 41.42 O ATOM 1591 CG2 THR B 22 -1.778 10.670 -18.838 1.00 43.12 C ATOM 0 H THR B 22 1.405 10.942 -18.133 1.00 45.41 H new ATOM 0 HA THR B 22 -0.295 13.067 -19.291 1.00 32.01 H new ATOM 0 HB THR B 22 -2.033 12.469 -17.691 1.00 4.52 H new ATOM 0 HG1 THR B 22 0.012 10.810 -16.602 1.00 41.42 H new ATOM 0 HG21 THR B 22 -2.643 10.166 -18.406 1.00 43.12 H new ATOM 0 HG22 THR B 22 -2.069 11.158 -19.768 1.00 43.12 H new ATOM 0 HG23 THR B 22 -0.996 9.939 -19.041 1.00 43.12 H new ATOM 1599 N GLU B 23 -0.296 14.452 -16.968 1.00 43.31 N ATOM 1600 CA GLU B 23 -0.059 15.367 -15.822 1.00 12.11 C ATOM 1601 C GLU B 23 -0.251 14.672 -14.448 1.00 50.14 C ATOM 1602 O GLU B 23 0.041 15.263 -13.402 1.00 74.41 O ATOM 1603 CB GLU B 23 -1.017 16.584 -15.949 1.00 43.01 C ATOM 1604 CG GLU B 23 -2.517 16.219 -15.934 1.00 11.30 C ATOM 1605 CD GLU B 23 -3.421 17.411 -16.285 1.00 13.32 C ATOM 1606 OE1 GLU B 23 -3.780 18.194 -15.382 1.00 63.34 O ATOM 1607 OE2 GLU B 23 -3.767 17.576 -17.477 1.00 70.23 O ATOM 0 H GLU B 23 -1.162 14.651 -17.469 1.00 43.31 H new ATOM 0 HA GLU B 23 0.981 15.691 -15.859 1.00 12.11 H new ATOM 0 HB2 GLU B 23 -0.816 17.276 -15.131 1.00 43.01 H new ATOM 0 HB3 GLU B 23 -0.793 17.112 -16.876 1.00 43.01 H new ATOM 0 HG2 GLU B 23 -2.697 15.411 -16.643 1.00 11.30 H new ATOM 0 HG3 GLU B 23 -2.785 15.843 -14.947 1.00 11.30 H new ATOM 1614 N GLY B 24 -0.735 13.416 -14.464 1.00 11.14 N ATOM 1615 CA GLY B 24 -1.072 12.681 -13.243 1.00 62.31 C ATOM 1616 C GLY B 24 -2.560 12.724 -12.929 1.00 0.55 C ATOM 1617 O GLY B 24 -3.262 13.660 -13.325 1.00 71.25 O ATOM 0 H GLY B 24 -0.901 12.890 -15.322 1.00 11.14 H new ATOM 0 HA2 GLY B 24 -0.756 11.643 -13.349 1.00 62.31 H new ATOM 0 HA3 GLY B 24 -0.515 13.100 -12.405 1.00 62.31 H new ATOM 1621 N LEU B 25 -3.047 11.707 -12.210 1.00 13.11 N ATOM 1622 CA LEU B 25 -4.484 11.538 -11.897 1.00 31.43 C ATOM 1623 C LEU B 25 -4.677 11.350 -10.377 1.00 53.24 C ATOM 1624 O LEU B 25 -3.740 10.978 -9.660 1.00 53.13 O ATOM 1625 CB LEU B 25 -5.099 10.308 -12.651 1.00 4.30 C ATOM 1626 CG LEU B 25 -5.164 10.355 -14.223 1.00 64.35 C ATOM 1627 CD1 LEU B 25 -3.794 10.086 -14.882 1.00 22.44 C ATOM 1628 CD2 LEU B 25 -6.241 9.383 -14.769 1.00 51.43 C ATOM 0 H LEU B 25 -2.458 10.970 -11.823 1.00 13.11 H new ATOM 0 HA LEU B 25 -5.000 12.439 -12.230 1.00 31.43 H new ATOM 0 HB2 LEU B 25 -4.527 9.424 -12.368 1.00 4.30 H new ATOM 0 HB3 LEU B 25 -6.114 10.164 -12.280 1.00 4.30 H new ATOM 0 HG LEU B 25 -5.450 11.372 -14.492 1.00 64.35 H new ATOM 0 HD11 LEU B 25 -3.897 10.130 -15.966 1.00 22.44 H new ATOM 0 HD12 LEU B 25 -3.078 10.840 -14.554 1.00 22.44 H new ATOM 0 HD13 LEU B 25 -3.438 9.097 -14.591 1.00 22.44 H new ATOM 0 HD21 LEU B 25 -6.262 9.438 -15.857 1.00 51.43 H new ATOM 0 HD22 LEU B 25 -6.002 8.365 -14.462 1.00 51.43 H new ATOM 0 HD23 LEU B 25 -7.217 9.662 -14.373 1.00 51.43 H new ATOM 1640 N THR B 26 -5.904 11.616 -9.893 1.00 43.14 N ATOM 1641 CA THR B 26 -6.297 11.298 -8.498 1.00 24.13 C ATOM 1642 C THR B 26 -6.686 9.810 -8.366 1.00 21.32 C ATOM 1643 O THR B 26 -6.872 9.129 -9.375 1.00 20.10 O ATOM 1644 CB THR B 26 -7.499 12.177 -8.004 1.00 41.11 C ATOM 1645 OG1 THR B 26 -8.668 11.908 -8.796 1.00 70.23 O ATOM 1646 CG2 THR B 26 -7.170 13.677 -8.063 1.00 31.02 C ATOM 0 H THR B 26 -6.644 12.051 -10.444 1.00 43.14 H new ATOM 0 HA THR B 26 -5.429 11.516 -7.876 1.00 24.13 H new ATOM 0 HB THR B 26 -7.691 11.914 -6.964 1.00 41.11 H new ATOM 0 HG1 THR B 26 -9.413 12.461 -8.478 1.00 70.23 H new ATOM 0 HG21 THR B 26 -8.028 14.252 -7.713 1.00 31.02 H new ATOM 0 HG22 THR B 26 -6.309 13.886 -7.428 1.00 31.02 H new ATOM 0 HG23 THR B 26 -6.939 13.959 -9.090 1.00 31.02 H new ATOM 1654 N GLN B 27 -6.841 9.333 -7.112 1.00 20.22 N ATOM 1655 CA GLN B 27 -7.262 7.940 -6.795 1.00 24.51 C ATOM 1656 C GLN B 27 -8.540 7.534 -7.575 1.00 1.34 C ATOM 1657 O GLN B 27 -8.574 6.495 -8.243 1.00 13.31 O ATOM 1658 CB GLN B 27 -7.522 7.836 -5.262 1.00 41.50 C ATOM 1659 CG GLN B 27 -8.182 6.522 -4.781 1.00 4.14 C ATOM 1660 CD GLN B 27 -8.576 6.541 -3.299 1.00 3.01 C ATOM 1661 OE1 GLN B 27 -7.955 7.206 -2.473 1.00 55.33 O ATOM 1662 NE2 GLN B 27 -9.620 5.816 -2.950 1.00 12.11 N ATOM 0 H GLN B 27 -6.678 9.903 -6.282 1.00 20.22 H new ATOM 0 HA GLN B 27 -6.467 7.258 -7.096 1.00 24.51 H new ATOM 0 HB2 GLN B 27 -6.571 7.955 -4.742 1.00 41.50 H new ATOM 0 HB3 GLN B 27 -8.156 8.670 -4.962 1.00 41.50 H new ATOM 0 HG2 GLN B 27 -9.071 6.330 -5.382 1.00 4.14 H new ATOM 0 HG3 GLN B 27 -7.494 5.695 -4.955 1.00 4.14 H new ATOM 0 HE21 GLN B 27 -10.121 5.272 -3.652 1.00 12.11 H new ATOM 0 HE22 GLN B 27 -9.927 5.799 -1.978 1.00 12.11 H new ATOM 1671 N LYS B 28 -9.552 8.409 -7.503 1.00 75.44 N ATOM 1672 CA LYS B 28 -10.863 8.230 -8.164 1.00 1.35 C ATOM 1673 C LYS B 28 -10.741 8.150 -9.718 1.00 65.24 C ATOM 1674 O LYS B 28 -11.399 7.318 -10.361 1.00 3.12 O ATOM 1675 CB LYS B 28 -11.784 9.400 -7.734 1.00 11.22 C ATOM 1676 CG LYS B 28 -13.218 9.360 -8.296 1.00 25.12 C ATOM 1677 CD LYS B 28 -14.107 10.491 -7.725 1.00 24.21 C ATOM 1678 CE LYS B 28 -15.483 10.561 -8.407 1.00 14.21 C ATOM 1679 NZ LYS B 28 -15.367 10.913 -9.850 1.00 50.00 N ATOM 0 H LYS B 28 -9.487 9.279 -6.975 1.00 75.44 H new ATOM 0 HA LYS B 28 -11.291 7.278 -7.851 1.00 1.35 H new ATOM 0 HB2 LYS B 28 -11.840 9.414 -6.646 1.00 11.22 H new ATOM 0 HB3 LYS B 28 -11.319 10.337 -8.041 1.00 11.22 H new ATOM 0 HG2 LYS B 28 -13.182 9.443 -9.382 1.00 25.12 H new ATOM 0 HG3 LYS B 28 -13.669 8.395 -8.065 1.00 25.12 H new ATOM 0 HD2 LYS B 28 -14.243 10.336 -6.655 1.00 24.21 H new ATOM 0 HD3 LYS B 28 -13.596 11.446 -7.846 1.00 24.21 H new ATOM 0 HE2 LYS B 28 -15.988 9.600 -8.307 1.00 14.21 H new ATOM 0 HE3 LYS B 28 -16.103 11.301 -7.901 1.00 14.21 H new ATOM 0 HZ1 LYS B 28 -16.302 11.182 -10.218 1.00 50.00 H new ATOM 0 HZ2 LYS B 28 -14.708 11.710 -9.961 1.00 50.00 H new ATOM 0 HZ3 LYS B 28 -15.010 10.093 -10.380 1.00 50.00 H new ATOM 1693 N GLN B 29 -9.884 9.011 -10.300 1.00 71.25 N ATOM 1694 CA GLN B 29 -9.628 9.045 -11.766 1.00 63.51 C ATOM 1695 C GLN B 29 -8.891 7.775 -12.263 1.00 11.11 C ATOM 1696 O GLN B 29 -9.202 7.249 -13.337 1.00 24.53 O ATOM 1697 CB GLN B 29 -8.798 10.293 -12.141 1.00 32.44 C ATOM 1698 CG GLN B 29 -9.500 11.635 -11.897 1.00 70.44 C ATOM 1699 CD GLN B 29 -8.613 12.840 -12.227 1.00 40.42 C ATOM 1700 OE1 GLN B 29 -7.758 12.785 -13.105 1.00 2.43 O ATOM 1701 NE2 GLN B 29 -8.797 13.929 -11.520 1.00 53.31 N ATOM 0 H GLN B 29 -9.348 9.703 -9.776 1.00 71.25 H new ATOM 0 HA GLN B 29 -10.602 9.085 -12.254 1.00 63.51 H new ATOM 0 HB2 GLN B 29 -7.869 10.277 -11.572 1.00 32.44 H new ATOM 0 HB3 GLN B 29 -8.527 10.228 -13.195 1.00 32.44 H new ATOM 0 HG2 GLN B 29 -10.406 11.681 -12.501 1.00 70.44 H new ATOM 0 HG3 GLN B 29 -9.810 11.693 -10.854 1.00 70.44 H new ATOM 0 HE21 GLN B 29 -9.514 13.951 -10.795 1.00 53.31 H new ATOM 0 HE22 GLN B 29 -8.223 14.754 -11.695 1.00 53.31 H new ATOM 1710 N ILE B 30 -7.897 7.311 -11.478 1.00 31.43 N ATOM 1711 CA ILE B 30 -7.110 6.093 -11.797 1.00 2.04 C ATOM 1712 C ILE B 30 -8.005 4.837 -11.770 1.00 5.33 C ATOM 1713 O ILE B 30 -7.841 3.954 -12.598 1.00 0.31 O ATOM 1714 CB ILE B 30 -5.890 5.901 -10.815 1.00 73.23 C ATOM 1715 CG1 ILE B 30 -4.925 7.122 -10.898 1.00 41.52 C ATOM 1716 CG2 ILE B 30 -5.119 4.579 -11.088 1.00 44.43 C ATOM 1717 CD1 ILE B 30 -3.786 7.110 -9.893 1.00 63.11 C ATOM 0 H ILE B 30 -7.615 7.764 -10.609 1.00 31.43 H new ATOM 0 HA ILE B 30 -6.713 6.229 -12.803 1.00 2.04 H new ATOM 0 HB ILE B 30 -6.296 5.836 -9.805 1.00 73.23 H new ATOM 0 HG12 ILE B 30 -4.503 7.165 -11.902 1.00 41.52 H new ATOM 0 HG13 ILE B 30 -5.505 8.034 -10.757 1.00 41.52 H new ATOM 0 HG21 ILE B 30 -4.288 4.491 -10.388 1.00 44.43 H new ATOM 0 HG22 ILE B 30 -5.793 3.732 -10.960 1.00 44.43 H new ATOM 0 HG23 ILE B 30 -4.734 4.586 -12.108 1.00 44.43 H new ATOM 0 HD11 ILE B 30 -3.171 7.999 -10.030 1.00 63.11 H new ATOM 0 HD12 ILE B 30 -4.193 7.102 -8.882 1.00 63.11 H new ATOM 0 HD13 ILE B 30 -3.176 6.220 -10.045 1.00 63.11 H new ATOM 1729 N LYS B 31 -8.957 4.777 -10.818 1.00 21.33 N ATOM 1730 CA LYS B 31 -9.947 3.668 -10.742 1.00 2.15 C ATOM 1731 C LYS B 31 -10.758 3.525 -12.059 1.00 22.11 C ATOM 1732 O LYS B 31 -11.076 2.413 -12.480 1.00 12.20 O ATOM 1733 CB LYS B 31 -10.915 3.880 -9.550 1.00 51.31 C ATOM 1734 CG LYS B 31 -10.269 3.744 -8.150 1.00 51.24 C ATOM 1735 CD LYS B 31 -11.283 4.003 -7.008 1.00 22.52 C ATOM 1736 CE LYS B 31 -12.465 3.008 -7.028 1.00 61.23 C ATOM 1737 NZ LYS B 31 -13.533 3.385 -6.072 1.00 42.11 N ATOM 0 H LYS B 31 -9.067 5.481 -10.088 1.00 21.33 H new ATOM 0 HA LYS B 31 -9.385 2.746 -10.590 1.00 2.15 H new ATOM 0 HB2 LYS B 31 -11.359 4.872 -9.634 1.00 51.31 H new ATOM 0 HB3 LYS B 31 -11.729 3.159 -9.630 1.00 51.31 H new ATOM 0 HG2 LYS B 31 -9.850 2.744 -8.041 1.00 51.24 H new ATOM 0 HG3 LYS B 31 -9.441 4.448 -8.064 1.00 51.24 H new ATOM 0 HD2 LYS B 31 -10.770 3.933 -6.049 1.00 22.52 H new ATOM 0 HD3 LYS B 31 -11.667 5.020 -7.091 1.00 22.52 H new ATOM 0 HE2 LYS B 31 -12.881 2.961 -8.034 1.00 61.23 H new ATOM 0 HE3 LYS B 31 -12.101 2.009 -6.787 1.00 61.23 H new ATOM 0 HZ1 LYS B 31 -14.304 2.689 -6.121 1.00 42.11 H new ATOM 0 HZ2 LYS B 31 -13.145 3.404 -5.107 1.00 42.11 H new ATOM 0 HZ3 LYS B 31 -13.901 4.327 -6.316 1.00 42.11 H new ATOM 1751 N LYS B 32 -11.092 4.663 -12.694 1.00 11.52 N ATOM 1752 CA LYS B 32 -11.759 4.680 -14.017 1.00 14.33 C ATOM 1753 C LYS B 32 -10.787 4.247 -15.154 1.00 23.43 C ATOM 1754 O LYS B 32 -11.156 3.462 -16.037 1.00 43.31 O ATOM 1755 CB LYS B 32 -12.351 6.087 -14.309 1.00 5.21 C ATOM 1756 CG LYS B 32 -13.148 6.194 -15.638 1.00 1.10 C ATOM 1757 CD LYS B 32 -14.386 5.263 -15.687 1.00 20.51 C ATOM 1758 CE LYS B 32 -15.492 5.671 -14.696 1.00 65.23 C ATOM 1759 NZ LYS B 32 -16.084 6.996 -15.029 1.00 53.02 N ATOM 0 H LYS B 32 -10.911 5.591 -12.312 1.00 11.52 H new ATOM 0 HA LYS B 32 -12.574 3.956 -13.987 1.00 14.33 H new ATOM 0 HB2 LYS B 32 -13.006 6.368 -13.485 1.00 5.21 H new ATOM 0 HB3 LYS B 32 -11.537 6.811 -14.330 1.00 5.21 H new ATOM 0 HG2 LYS B 32 -13.472 7.225 -15.777 1.00 1.10 H new ATOM 0 HG3 LYS B 32 -12.487 5.952 -16.470 1.00 1.10 H new ATOM 0 HD2 LYS B 32 -14.794 5.265 -16.698 1.00 20.51 H new ATOM 0 HD3 LYS B 32 -14.073 4.241 -15.472 1.00 20.51 H new ATOM 0 HE2 LYS B 32 -16.276 4.914 -14.697 1.00 65.23 H new ATOM 0 HE3 LYS B 32 -15.080 5.702 -13.687 1.00 65.23 H new ATOM 0 HZ1 LYS B 32 -16.900 7.177 -14.411 1.00 53.02 H new ATOM 0 HZ2 LYS B 32 -15.371 7.740 -14.888 1.00 53.02 H new ATOM 0 HZ3 LYS B 32 -16.394 6.998 -16.022 1.00 53.02 H new ATOM 1773 N ALA B 33 -9.547 4.771 -15.117 1.00 51.41 N ATOM 1774 CA ALA B 33 -8.522 4.531 -16.168 1.00 23.32 C ATOM 1775 C ALA B 33 -8.050 3.048 -16.217 1.00 10.30 C ATOM 1776 O ALA B 33 -7.917 2.456 -17.294 1.00 43.33 O ATOM 1777 CB ALA B 33 -7.326 5.471 -15.938 1.00 34.22 C ATOM 0 H ALA B 33 -9.221 5.373 -14.361 1.00 51.41 H new ATOM 0 HA ALA B 33 -8.981 4.742 -17.134 1.00 23.32 H new ATOM 0 HB1 ALA B 33 -6.573 5.297 -16.707 1.00 34.22 H new ATOM 0 HB2 ALA B 33 -7.662 6.507 -15.987 1.00 34.22 H new ATOM 0 HB3 ALA B 33 -6.894 5.276 -14.957 1.00 34.22 H new ATOM 1783 N THR B 34 -7.818 2.470 -15.034 1.00 21.14 N ATOM 1784 CA THR B 34 -7.301 1.086 -14.862 1.00 2.12 C ATOM 1785 C THR B 34 -8.439 0.052 -14.726 1.00 41.00 C ATOM 1786 O THR B 34 -8.209 -1.144 -14.925 1.00 23.44 O ATOM 1787 CB THR B 34 -6.397 0.982 -13.590 1.00 41.44 C ATOM 1788 OG1 THR B 34 -7.173 1.285 -12.414 1.00 64.21 O ATOM 1789 CG2 THR B 34 -5.188 1.928 -13.662 1.00 22.41 C ATOM 0 H THR B 34 -7.983 2.948 -14.148 1.00 21.14 H new ATOM 0 HA THR B 34 -6.723 0.864 -15.759 1.00 2.12 H new ATOM 0 HB THR B 34 -6.020 -0.039 -13.539 1.00 41.44 H new ATOM 0 HG1 THR B 34 -7.450 2.225 -12.438 1.00 64.21 H new ATOM 0 HG21 THR B 34 -4.589 1.822 -12.758 1.00 22.41 H new ATOM 0 HG22 THR B 34 -4.581 1.677 -14.532 1.00 22.41 H new ATOM 0 HG23 THR B 34 -5.536 2.957 -13.748 1.00 22.41 H new ATOM 1797 N LYS B 35 -9.654 0.546 -14.381 1.00 64.24 N ATOM 1798 CA LYS B 35 -10.868 -0.274 -14.106 1.00 24.03 C ATOM 1799 C LYS B 35 -10.762 -1.035 -12.751 1.00 33.15 C ATOM 1800 O LYS B 35 -11.231 -2.173 -12.624 1.00 33.42 O ATOM 1801 CB LYS B 35 -11.222 -1.242 -15.288 1.00 51.33 C ATOM 1802 CG LYS B 35 -11.381 -0.562 -16.667 1.00 70.02 C ATOM 1803 CD LYS B 35 -12.487 0.517 -16.690 1.00 70.13 C ATOM 1804 CE LYS B 35 -12.599 1.208 -18.058 1.00 24.03 C ATOM 1805 NZ LYS B 35 -11.317 1.843 -18.470 1.00 32.41 N ATOM 0 H LYS B 35 -9.824 1.547 -14.283 1.00 64.24 H new ATOM 0 HA LYS B 35 -11.698 0.428 -14.020 1.00 24.03 H new ATOM 0 HB2 LYS B 35 -10.443 -2.000 -15.362 1.00 51.33 H new ATOM 0 HB3 LYS B 35 -12.150 -1.761 -15.047 1.00 51.33 H new ATOM 0 HG2 LYS B 35 -10.432 -0.107 -16.952 1.00 70.02 H new ATOM 0 HG3 LYS B 35 -11.608 -1.321 -17.415 1.00 70.02 H new ATOM 0 HD2 LYS B 35 -13.443 0.059 -16.437 1.00 70.13 H new ATOM 0 HD3 LYS B 35 -12.279 1.264 -15.924 1.00 70.13 H new ATOM 0 HE2 LYS B 35 -12.899 0.478 -18.809 1.00 24.03 H new ATOM 0 HE3 LYS B 35 -13.382 1.965 -18.018 1.00 24.03 H new ATOM 0 HZ1 LYS B 35 -11.478 2.437 -19.308 1.00 32.41 H new ATOM 0 HZ2 LYS B 35 -10.955 2.432 -17.692 1.00 32.41 H new ATOM 0 HZ3 LYS B 35 -10.621 1.104 -18.697 1.00 32.41 H new ATOM 1819 N LEU B 36 -10.162 -0.386 -11.726 1.00 12.44 N ATOM 1820 CA LEU B 36 -10.116 -0.939 -10.346 1.00 73.02 C ATOM 1821 C LEU B 36 -11.445 -0.692 -9.591 1.00 11.41 C ATOM 1822 O LEU B 36 -11.865 0.454 -9.409 1.00 72.10 O ATOM 1823 CB LEU B 36 -8.920 -0.354 -9.539 1.00 4.35 C ATOM 1824 CG LEU B 36 -7.499 -0.782 -10.023 1.00 21.11 C ATOM 1825 CD1 LEU B 36 -6.396 -0.139 -9.158 1.00 73.24 C ATOM 1826 CD2 LEU B 36 -7.362 -2.323 -10.080 1.00 13.31 C ATOM 0 H LEU B 36 -9.703 0.519 -11.825 1.00 12.44 H new ATOM 0 HA LEU B 36 -9.972 -2.015 -10.439 1.00 73.02 H new ATOM 0 HB2 LEU B 36 -8.982 0.734 -9.572 1.00 4.35 H new ATOM 0 HB3 LEU B 36 -9.032 -0.649 -8.496 1.00 4.35 H new ATOM 0 HG LEU B 36 -7.369 -0.411 -11.040 1.00 21.11 H new ATOM 0 HD11 LEU B 36 -5.418 -0.456 -9.520 1.00 73.24 H new ATOM 0 HD12 LEU B 36 -6.471 0.947 -9.220 1.00 73.24 H new ATOM 0 HD13 LEU B 36 -6.518 -0.452 -8.121 1.00 73.24 H new ATOM 0 HD21 LEU B 36 -6.361 -2.587 -10.421 1.00 13.31 H new ATOM 0 HD22 LEU B 36 -7.529 -2.740 -9.087 1.00 13.31 H new ATOM 0 HD23 LEU B 36 -8.100 -2.728 -10.773 1.00 13.31 H new ATOM 1838 N LYS B 37 -12.089 -1.796 -9.166 1.00 24.04 N ATOM 1839 CA LYS B 37 -13.342 -1.771 -8.377 1.00 43.01 C ATOM 1840 C LYS B 37 -13.091 -1.245 -6.938 1.00 33.02 C ATOM 1841 O LYS B 37 -13.682 -0.245 -6.510 1.00 34.01 O ATOM 1842 CB LYS B 37 -13.947 -3.205 -8.326 1.00 0.01 C ATOM 1843 CG LYS B 37 -15.258 -3.340 -7.503 1.00 44.30 C ATOM 1844 CD LYS B 37 -15.686 -4.812 -7.294 1.00 71.41 C ATOM 1845 CE LYS B 37 -14.634 -5.627 -6.513 1.00 2.55 C ATOM 1846 NZ LYS B 37 -15.056 -7.030 -6.297 1.00 32.42 N ATOM 0 H LYS B 37 -11.754 -2.739 -9.361 1.00 24.04 H new ATOM 0 HA LYS B 37 -14.044 -1.092 -8.861 1.00 43.01 H new ATOM 0 HB2 LYS B 37 -14.141 -3.537 -9.346 1.00 0.01 H new ATOM 0 HB3 LYS B 37 -13.202 -3.882 -7.907 1.00 0.01 H new ATOM 0 HG2 LYS B 37 -15.122 -2.864 -6.532 1.00 44.30 H new ATOM 0 HG3 LYS B 37 -16.058 -2.803 -8.012 1.00 44.30 H new ATOM 0 HD2 LYS B 37 -16.634 -4.839 -6.757 1.00 71.41 H new ATOM 0 HD3 LYS B 37 -15.856 -5.279 -8.264 1.00 71.41 H new ATOM 0 HE2 LYS B 37 -13.690 -5.614 -7.058 1.00 2.55 H new ATOM 0 HE3 LYS B 37 -14.452 -5.152 -5.549 1.00 2.55 H new ATOM 0 HZ1 LYS B 37 -14.318 -7.537 -5.769 1.00 32.42 H new ATOM 0 HZ2 LYS B 37 -15.943 -7.046 -5.754 1.00 32.42 H new ATOM 0 HZ3 LYS B 37 -15.204 -7.493 -7.216 1.00 32.42 H new ATOM 1860 N ALA B 38 -12.197 -1.937 -6.207 1.00 50.12 N ATOM 1861 CA ALA B 38 -11.859 -1.598 -4.812 1.00 42.53 C ATOM 1862 C ALA B 38 -10.584 -0.742 -4.739 1.00 21.03 C ATOM 1863 O ALA B 38 -9.543 -1.094 -5.307 1.00 63.42 O ATOM 1864 CB ALA B 38 -11.692 -2.867 -3.964 1.00 3.14 C ATOM 0 H ALA B 38 -11.689 -2.746 -6.566 1.00 50.12 H new ATOM 0 HA ALA B 38 -12.687 -1.015 -4.408 1.00 42.53 H new ATOM 0 HB1 ALA B 38 -11.443 -2.590 -2.940 1.00 3.14 H new ATOM 0 HB2 ALA B 38 -12.623 -3.434 -3.971 1.00 3.14 H new ATOM 0 HB3 ALA B 38 -10.891 -3.479 -4.379 1.00 3.14 H new ATOM 1870 N ASP B 39 -10.696 0.385 -4.022 1.00 74.31 N ATOM 1871 CA ASP B 39 -9.566 1.278 -3.703 1.00 22.52 C ATOM 1872 C ASP B 39 -8.534 0.585 -2.777 1.00 63.33 C ATOM 1873 O ASP B 39 -7.356 0.926 -2.798 1.00 32.24 O ATOM 1874 CB ASP B 39 -10.103 2.581 -3.057 1.00 2.43 C ATOM 1875 CG ASP B 39 -10.818 2.396 -1.696 1.00 54.04 C ATOM 1876 OD1 ASP B 39 -11.517 1.375 -1.491 1.00 53.44 O ATOM 1877 OD2 ASP B 39 -10.682 3.275 -0.814 1.00 70.02 O ATOM 0 H ASP B 39 -11.585 0.709 -3.641 1.00 74.31 H new ATOM 0 HA ASP B 39 -9.047 1.524 -4.630 1.00 22.52 H new ATOM 0 HB2 ASP B 39 -9.270 3.270 -2.921 1.00 2.43 H new ATOM 0 HB3 ASP B 39 -10.797 3.053 -3.753 1.00 2.43 H new ATOM 1882 N LYS B 40 -9.007 -0.400 -1.979 1.00 31.40 N ATOM 1883 CA LYS B 40 -8.152 -1.238 -1.098 1.00 73.10 C ATOM 1884 C LYS B 40 -7.007 -1.939 -1.891 1.00 32.51 C ATOM 1885 O LYS B 40 -5.880 -2.062 -1.403 1.00 65.02 O ATOM 1886 CB LYS B 40 -9.034 -2.301 -0.382 1.00 11.41 C ATOM 1887 CG LYS B 40 -10.239 -1.762 0.452 1.00 11.11 C ATOM 1888 CD LYS B 40 -9.845 -1.098 1.810 1.00 74.24 C ATOM 1889 CE LYS B 40 -9.423 0.379 1.698 1.00 61.25 C ATOM 1890 NZ LYS B 40 -10.545 1.260 1.293 1.00 3.14 N ATOM 0 H LYS B 40 -9.997 -0.639 -1.926 1.00 31.40 H new ATOM 0 HA LYS B 40 -7.684 -0.585 -0.362 1.00 73.10 H new ATOM 0 HB2 LYS B 40 -9.421 -2.987 -1.136 1.00 11.41 H new ATOM 0 HB3 LYS B 40 -8.394 -2.884 0.281 1.00 11.41 H new ATOM 0 HG2 LYS B 40 -10.783 -1.034 -0.149 1.00 11.11 H new ATOM 0 HG3 LYS B 40 -10.924 -2.586 0.651 1.00 11.11 H new ATOM 0 HD2 LYS B 40 -10.690 -1.171 2.495 1.00 74.24 H new ATOM 0 HD3 LYS B 40 -9.026 -1.664 2.253 1.00 74.24 H new ATOM 0 HE2 LYS B 40 -9.029 0.715 2.657 1.00 61.25 H new ATOM 0 HE3 LYS B 40 -8.614 0.469 0.973 1.00 61.25 H new ATOM 0 HZ1 LYS B 40 -10.210 2.243 1.232 1.00 3.14 H new ATOM 0 HZ2 LYS B 40 -10.906 0.959 0.365 1.00 3.14 H new ATOM 0 HZ3 LYS B 40 -11.307 1.197 1.998 1.00 3.14 H new ATOM 1904 N ASP B 41 -7.326 -2.376 -3.125 1.00 13.43 N ATOM 1905 CA ASP B 41 -6.347 -2.977 -4.062 1.00 52.34 C ATOM 1906 C ASP B 41 -5.427 -1.898 -4.684 1.00 10.32 C ATOM 1907 O ASP B 41 -4.227 -2.138 -4.898 1.00 41.04 O ATOM 1908 CB ASP B 41 -7.092 -3.752 -5.169 1.00 1.05 C ATOM 1909 CG ASP B 41 -7.831 -4.978 -4.619 1.00 62.55 C ATOM 1910 OD1 ASP B 41 -8.970 -4.834 -4.133 1.00 62.14 O ATOM 1911 OD2 ASP B 41 -7.251 -6.089 -4.623 1.00 1.43 O ATOM 0 H ASP B 41 -8.271 -2.324 -3.504 1.00 13.43 H new ATOM 0 HA ASP B 41 -5.716 -3.667 -3.502 1.00 52.34 H new ATOM 0 HB2 ASP B 41 -7.805 -3.089 -5.658 1.00 1.05 H new ATOM 0 HB3 ASP B 41 -6.380 -4.070 -5.930 1.00 1.05 H new ATOM 1916 N PHE B 42 -6.014 -0.717 -4.969 1.00 60.21 N ATOM 1917 CA PHE B 42 -5.277 0.459 -5.493 1.00 44.42 C ATOM 1918 C PHE B 42 -4.113 0.884 -4.559 1.00 13.01 C ATOM 1919 O PHE B 42 -3.029 1.195 -5.034 1.00 15.33 O ATOM 1920 CB PHE B 42 -6.256 1.652 -5.721 1.00 43.42 C ATOM 1921 CG PHE B 42 -5.573 2.990 -6.021 1.00 25.13 C ATOM 1922 CD1 PHE B 42 -5.045 3.259 -7.278 1.00 44.43 C ATOM 1923 CD2 PHE B 42 -5.422 3.966 -5.026 1.00 51.13 C ATOM 1924 CE1 PHE B 42 -4.402 4.453 -7.535 1.00 41.21 C ATOM 1925 CE2 PHE B 42 -4.772 5.157 -5.288 1.00 43.23 C ATOM 1926 CZ PHE B 42 -4.262 5.400 -6.544 1.00 61.42 C ATOM 0 H PHE B 42 -7.012 -0.549 -4.843 1.00 60.21 H new ATOM 0 HA PHE B 42 -4.836 0.169 -6.447 1.00 44.42 H new ATOM 0 HB2 PHE B 42 -6.922 1.405 -6.548 1.00 43.42 H new ATOM 0 HB3 PHE B 42 -6.879 1.768 -4.834 1.00 43.42 H new ATOM 0 HD1 PHE B 42 -5.139 2.524 -8.064 1.00 44.43 H new ATOM 0 HD2 PHE B 42 -5.820 3.784 -4.039 1.00 51.13 H new ATOM 0 HE1 PHE B 42 -4.005 4.647 -8.521 1.00 41.21 H new ATOM 0 HE2 PHE B 42 -4.664 5.897 -4.508 1.00 43.23 H new ATOM 0 HZ PHE B 42 -3.754 6.330 -6.752 1.00 61.42 H new ATOM 1936 N PHE B 43 -4.360 0.905 -3.234 1.00 41.13 N ATOM 1937 CA PHE B 43 -3.357 1.348 -2.219 1.00 70.44 C ATOM 1938 C PHE B 43 -2.125 0.417 -2.147 1.00 10.43 C ATOM 1939 O PHE B 43 -1.012 0.873 -1.871 1.00 71.41 O ATOM 1940 CB PHE B 43 -4.013 1.477 -0.820 1.00 20.33 C ATOM 1941 CG PHE B 43 -5.212 2.420 -0.784 1.00 42.44 C ATOM 1942 CD1 PHE B 43 -5.154 3.669 -1.399 1.00 71.10 C ATOM 1943 CD2 PHE B 43 -6.394 2.060 -0.145 1.00 51.14 C ATOM 1944 CE1 PHE B 43 -6.242 4.511 -1.389 1.00 33.20 C ATOM 1945 CE2 PHE B 43 -7.478 2.908 -0.132 1.00 52.53 C ATOM 1946 CZ PHE B 43 -7.401 4.132 -0.754 1.00 62.14 C ATOM 0 H PHE B 43 -5.252 0.619 -2.829 1.00 41.13 H new ATOM 0 HA PHE B 43 -3.000 2.326 -2.542 1.00 70.44 H new ATOM 0 HB2 PHE B 43 -4.330 0.489 -0.486 1.00 20.33 H new ATOM 0 HB3 PHE B 43 -3.265 1.829 -0.110 1.00 20.33 H new ATOM 0 HD1 PHE B 43 -4.244 3.980 -1.890 1.00 71.10 H new ATOM 0 HD2 PHE B 43 -6.462 1.101 0.348 1.00 51.14 H new ATOM 0 HE1 PHE B 43 -6.186 5.471 -1.881 1.00 33.20 H new ATOM 0 HE2 PHE B 43 -8.389 2.612 0.367 1.00 52.53 H new ATOM 0 HZ PHE B 43 -8.252 4.797 -0.744 1.00 62.14 H new ATOM 1956 N LEU B 44 -2.339 -0.890 -2.383 1.00 12.44 N ATOM 1957 CA LEU B 44 -1.239 -1.885 -2.475 1.00 53.14 C ATOM 1958 C LEU B 44 -0.412 -1.683 -3.777 1.00 51.01 C ATOM 1959 O LEU B 44 0.810 -1.869 -3.777 1.00 41.05 O ATOM 1960 CB LEU B 44 -1.805 -3.339 -2.378 1.00 33.44 C ATOM 1961 CG LEU B 44 -2.038 -3.898 -0.930 1.00 64.32 C ATOM 1962 CD1 LEU B 44 -3.040 -3.045 -0.116 1.00 52.32 C ATOM 1963 CD2 LEU B 44 -2.467 -5.387 -0.969 1.00 15.11 C ATOM 0 H LEU B 44 -3.268 -1.290 -2.515 1.00 12.44 H new ATOM 0 HA LEU B 44 -0.565 -1.731 -1.633 1.00 53.14 H new ATOM 0 HB2 LEU B 44 -2.753 -3.374 -2.915 1.00 33.44 H new ATOM 0 HB3 LEU B 44 -1.119 -4.009 -2.897 1.00 33.44 H new ATOM 0 HG LEU B 44 -1.082 -3.832 -0.410 1.00 64.32 H new ATOM 0 HD11 LEU B 44 -3.163 -3.477 0.877 1.00 52.32 H new ATOM 0 HD12 LEU B 44 -2.661 -2.027 -0.024 1.00 52.32 H new ATOM 0 HD13 LEU B 44 -4.003 -3.029 -0.627 1.00 52.32 H new ATOM 0 HD21 LEU B 44 -2.621 -5.748 0.048 1.00 15.11 H new ATOM 0 HD22 LEU B 44 -3.395 -5.484 -1.533 1.00 15.11 H new ATOM 0 HD23 LEU B 44 -1.687 -5.978 -1.449 1.00 15.11 H new ATOM 1975 N GLY B 45 -1.097 -1.286 -4.871 1.00 2.02 N ATOM 1976 CA GLY B 45 -0.429 -0.936 -6.137 1.00 71.34 C ATOM 1977 C GLY B 45 0.379 0.371 -6.051 1.00 60.33 C ATOM 1978 O GLY B 45 1.535 0.422 -6.450 1.00 11.12 O ATOM 0 H GLY B 45 -2.113 -1.201 -4.900 1.00 2.02 H new ATOM 0 HA2 GLY B 45 0.236 -1.749 -6.427 1.00 71.34 H new ATOM 0 HA3 GLY B 45 -1.179 -0.842 -6.923 1.00 71.34 H new ATOM 1982 N LEU B 46 -0.244 1.417 -5.487 1.00 13.43 N ATOM 1983 CA LEU B 46 0.376 2.754 -5.286 1.00 11.42 C ATOM 1984 C LEU B 46 1.511 2.694 -4.225 1.00 75.01 C ATOM 1985 O LEU B 46 2.490 3.452 -4.283 1.00 5.15 O ATOM 1986 CB LEU B 46 -0.715 3.778 -4.858 1.00 31.14 C ATOM 1987 CG LEU B 46 -0.226 5.243 -4.614 1.00 43.40 C ATOM 1988 CD1 LEU B 46 0.392 5.854 -5.893 1.00 21.20 C ATOM 1989 CD2 LEU B 46 -1.363 6.126 -4.040 1.00 45.31 C ATOM 0 H LEU B 46 -1.205 1.367 -5.150 1.00 13.43 H new ATOM 0 HA LEU B 46 0.821 3.074 -6.228 1.00 11.42 H new ATOM 0 HB2 LEU B 46 -1.487 3.798 -5.627 1.00 31.14 H new ATOM 0 HB3 LEU B 46 -1.185 3.416 -3.943 1.00 31.14 H new ATOM 0 HG LEU B 46 0.565 5.209 -3.865 1.00 43.40 H new ATOM 0 HD11 LEU B 46 0.721 6.873 -5.687 1.00 21.20 H new ATOM 0 HD12 LEU B 46 1.246 5.253 -6.207 1.00 21.20 H new ATOM 0 HD13 LEU B 46 -0.354 5.867 -6.687 1.00 21.20 H new ATOM 0 HD21 LEU B 46 -0.992 7.139 -3.881 1.00 45.31 H new ATOM 0 HD22 LEU B 46 -2.195 6.150 -4.744 1.00 45.31 H new ATOM 0 HD23 LEU B 46 -1.702 5.711 -3.091 1.00 45.31 H new ATOM 2001 N GLY B 47 1.361 1.764 -3.276 1.00 14.13 N ATOM 2002 CA GLY B 47 2.390 1.484 -2.261 1.00 22.21 C ATOM 2003 C GLY B 47 3.613 0.797 -2.870 1.00 30.10 C ATOM 2004 O GLY B 47 4.749 0.970 -2.409 1.00 25.43 O ATOM 0 H GLY B 47 0.527 1.184 -3.187 1.00 14.13 H new ATOM 0 HA2 GLY B 47 2.695 2.416 -1.786 1.00 22.21 H new ATOM 0 HA3 GLY B 47 1.968 0.851 -1.480 1.00 22.21 H new ATOM 2008 N TRP B 48 3.355 0.001 -3.925 1.00 3.24 N ATOM 2009 CA TRP B 48 4.396 -0.636 -4.744 1.00 51.24 C ATOM 2010 C TRP B 48 5.086 0.407 -5.669 1.00 22.22 C ATOM 2011 O TRP B 48 6.258 0.274 -5.997 1.00 23.32 O ATOM 2012 CB TRP B 48 3.777 -1.791 -5.577 1.00 23.43 C ATOM 2013 CG TRP B 48 4.785 -2.823 -6.016 1.00 3.05 C ATOM 2014 CD1 TRP B 48 5.633 -2.764 -7.084 1.00 30.43 C ATOM 2015 CD2 TRP B 48 5.047 -4.065 -5.364 1.00 30.24 C ATOM 2016 NE1 TRP B 48 6.415 -3.884 -7.121 1.00 3.12 N ATOM 2017 CE2 TRP B 48 6.066 -4.704 -6.083 1.00 15.25 C ATOM 2018 CE3 TRP B 48 4.511 -4.696 -4.236 1.00 32.01 C ATOM 2019 CZ2 TRP B 48 6.568 -5.940 -5.710 1.00 25.55 C ATOM 2020 CZ3 TRP B 48 5.007 -5.926 -3.866 1.00 44.01 C ATOM 2021 CH2 TRP B 48 6.029 -6.538 -4.603 1.00 5.22 C ATOM 0 H TRP B 48 2.408 -0.218 -4.233 1.00 3.24 H new ATOM 0 HA TRP B 48 5.159 -1.050 -4.084 1.00 51.24 H new ATOM 0 HB2 TRP B 48 3.002 -2.280 -4.986 1.00 23.43 H new ATOM 0 HB3 TRP B 48 3.290 -1.373 -6.458 1.00 23.43 H new ATOM 0 HD1 TRP B 48 5.679 -1.952 -7.795 1.00 30.43 H new ATOM 0 HE1 TRP B 48 7.141 -4.077 -7.811 1.00 3.12 H new ATOM 0 HE3 TRP B 48 3.723 -4.227 -3.666 1.00 32.01 H new ATOM 0 HZ2 TRP B 48 7.357 -6.415 -6.273 1.00 25.55 H new ATOM 0 HZ3 TRP B 48 4.603 -6.425 -2.997 1.00 44.01 H new ATOM 0 HH2 TRP B 48 6.400 -7.503 -4.291 1.00 5.22 H new ATOM 2032 N LEU B 49 4.337 1.442 -6.087 1.00 23.41 N ATOM 2033 CA LEU B 49 4.897 2.618 -6.811 1.00 62.12 C ATOM 2034 C LEU B 49 5.904 3.402 -5.917 1.00 22.13 C ATOM 2035 O LEU B 49 6.942 3.880 -6.400 1.00 12.45 O ATOM 2036 CB LEU B 49 3.741 3.550 -7.291 1.00 55.32 C ATOM 2037 CG LEU B 49 3.150 3.294 -8.715 1.00 63.31 C ATOM 2038 CD1 LEU B 49 2.805 1.835 -8.927 1.00 60.42 C ATOM 2039 CD2 LEU B 49 1.910 4.184 -8.972 1.00 43.41 C ATOM 0 H LEU B 49 3.329 1.496 -5.938 1.00 23.41 H new ATOM 0 HA LEU B 49 5.442 2.257 -7.683 1.00 62.12 H new ATOM 0 HB2 LEU B 49 2.927 3.474 -6.570 1.00 55.32 H new ATOM 0 HB3 LEU B 49 4.102 4.578 -7.257 1.00 55.32 H new ATOM 0 HG LEU B 49 3.924 3.561 -9.435 1.00 63.31 H new ATOM 0 HD11 LEU B 49 2.397 1.699 -9.929 1.00 60.42 H new ATOM 0 HD12 LEU B 49 3.704 1.229 -8.816 1.00 60.42 H new ATOM 0 HD13 LEU B 49 2.065 1.525 -8.189 1.00 60.42 H new ATOM 0 HD21 LEU B 49 1.520 3.985 -9.970 1.00 43.41 H new ATOM 0 HD22 LEU B 49 1.142 3.961 -8.231 1.00 43.41 H new ATOM 0 HD23 LEU B 49 2.194 5.234 -8.896 1.00 43.41 H new ATOM 2051 N LEU B 50 5.556 3.539 -4.621 1.00 34.03 N ATOM 2052 CA LEU B 50 6.453 4.107 -3.581 1.00 72.14 C ATOM 2053 C LEU B 50 7.672 3.190 -3.320 1.00 73.44 C ATOM 2054 O LEU B 50 8.764 3.679 -3.023 1.00 65.34 O ATOM 2055 CB LEU B 50 5.665 4.366 -2.266 1.00 54.01 C ATOM 2056 CG LEU B 50 4.658 5.559 -2.310 1.00 23.32 C ATOM 2057 CD1 LEU B 50 3.824 5.655 -1.009 1.00 14.24 C ATOM 2058 CD2 LEU B 50 5.399 6.886 -2.616 1.00 52.11 C ATOM 0 H LEU B 50 4.644 3.260 -4.260 1.00 34.03 H new ATOM 0 HA LEU B 50 6.833 5.059 -3.952 1.00 72.14 H new ATOM 0 HB2 LEU B 50 5.117 3.460 -2.007 1.00 54.01 H new ATOM 0 HB3 LEU B 50 6.380 4.546 -1.464 1.00 54.01 H new ATOM 0 HG LEU B 50 3.953 5.373 -3.120 1.00 23.32 H new ATOM 0 HD11 LEU B 50 3.136 6.497 -1.079 1.00 14.24 H new ATOM 0 HD12 LEU B 50 3.258 4.734 -0.871 1.00 14.24 H new ATOM 0 HD13 LEU B 50 4.491 5.801 -0.159 1.00 14.24 H new ATOM 0 HD21 LEU B 50 4.681 7.706 -2.643 1.00 52.11 H new ATOM 0 HD22 LEU B 50 6.139 7.077 -1.839 1.00 52.11 H new ATOM 0 HD23 LEU B 50 5.898 6.810 -3.582 1.00 52.11 H new ATOM 2070 N ARG B 51 7.456 1.861 -3.413 1.00 13.51 N ATOM 2071 CA ARG B 51 8.542 0.849 -3.377 1.00 73.02 C ATOM 2072 C ARG B 51 9.565 1.084 -4.513 1.00 32.44 C ATOM 2073 O ARG B 51 10.784 1.094 -4.281 1.00 2.34 O ATOM 2074 CB ARG B 51 7.936 -0.599 -3.468 1.00 24.43 C ATOM 2075 CG ARG B 51 8.907 -1.686 -3.990 1.00 35.23 C ATOM 2076 CD ARG B 51 8.357 -3.118 -3.943 1.00 43.11 C ATOM 2077 NE ARG B 51 9.247 -4.040 -4.682 1.00 44.12 N ATOM 2078 CZ ARG B 51 9.901 -5.071 -4.182 1.00 50.04 C ATOM 2079 NH1 ARG B 51 9.794 -5.401 -2.938 1.00 61.51 N ATOM 2080 NH2 ARG B 51 10.671 -5.765 -4.942 1.00 51.42 N ATOM 0 H ARG B 51 6.526 1.456 -3.515 1.00 13.51 H new ATOM 0 HA ARG B 51 9.071 0.951 -2.429 1.00 73.02 H new ATOM 0 HB2 ARG B 51 7.585 -0.892 -2.478 1.00 24.43 H new ATOM 0 HB3 ARG B 51 7.063 -0.570 -4.120 1.00 24.43 H new ATOM 0 HG2 ARG B 51 9.176 -1.449 -5.019 1.00 35.23 H new ATOM 0 HG3 ARG B 51 9.825 -1.645 -3.403 1.00 35.23 H new ATOM 0 HD2 ARG B 51 8.265 -3.445 -2.907 1.00 43.11 H new ATOM 0 HD3 ARG B 51 7.357 -3.144 -4.376 1.00 43.11 H new ATOM 0 HE ARG B 51 9.367 -3.861 -5.679 1.00 44.12 H new ATOM 0 HH11 ARG B 51 9.193 -4.860 -2.317 1.00 61.51 H new ATOM 0 HH12 ARG B 51 10.311 -6.203 -2.577 1.00 61.51 H new ATOM 0 HH21 ARG B 51 10.774 -5.518 -5.926 1.00 51.42 H new ATOM 0 HH22 ARG B 51 11.179 -6.563 -4.561 1.00 51.42 H new ATOM 2094 N GLU B 52 9.056 1.282 -5.737 1.00 74.23 N ATOM 2095 CA GLU B 52 9.903 1.416 -6.939 1.00 35.44 C ATOM 2096 C GLU B 52 10.519 2.835 -7.062 1.00 51.31 C ATOM 2097 O GLU B 52 11.467 3.034 -7.835 1.00 65.34 O ATOM 2098 CB GLU B 52 9.082 1.101 -8.208 1.00 22.50 C ATOM 2099 CG GLU B 52 8.387 -0.280 -8.261 1.00 14.14 C ATOM 2100 CD GLU B 52 9.346 -1.478 -8.158 1.00 24.31 C ATOM 2101 OE1 GLU B 52 10.192 -1.651 -9.059 1.00 41.42 O ATOM 2102 OE2 GLU B 52 9.247 -2.265 -7.198 1.00 43.34 O ATOM 0 H GLU B 52 8.056 1.354 -5.925 1.00 74.23 H new ATOM 0 HA GLU B 52 10.720 0.701 -6.839 1.00 35.44 H new ATOM 0 HB2 GLU B 52 8.318 1.871 -8.319 1.00 22.50 H new ATOM 0 HB3 GLU B 52 9.744 1.182 -9.070 1.00 22.50 H new ATOM 0 HG2 GLU B 52 7.662 -0.340 -7.449 1.00 14.14 H new ATOM 0 HG3 GLU B 52 7.828 -0.356 -9.194 1.00 14.14 H new ATOM 2109 N ASP B 53 9.942 3.810 -6.315 1.00 21.12 N ATOM 2110 CA ASP B 53 10.358 5.242 -6.324 1.00 43.11 C ATOM 2111 C ASP B 53 10.181 5.905 -7.717 1.00 13.44 C ATOM 2112 O ASP B 53 10.849 6.889 -8.056 1.00 43.10 O ATOM 2113 CB ASP B 53 11.808 5.392 -5.794 1.00 51.54 C ATOM 2114 CG ASP B 53 11.951 4.931 -4.340 1.00 51.32 C ATOM 2115 OD1 ASP B 53 11.345 5.566 -3.464 1.00 23.51 O ATOM 2116 OD2 ASP B 53 12.646 3.930 -4.063 1.00 63.13 O ATOM 0 H ASP B 53 9.165 3.625 -5.681 1.00 21.12 H new ATOM 0 HA ASP B 53 9.692 5.779 -5.649 1.00 43.11 H new ATOM 0 HB2 ASP B 53 12.483 4.813 -6.424 1.00 51.54 H new ATOM 0 HB3 ASP B 53 12.114 6.435 -5.873 1.00 51.54 H new ATOM 2121 N LYS B 54 9.228 5.372 -8.492 1.00 63.13 N ATOM 2122 CA LYS B 54 8.926 5.844 -9.863 1.00 75.34 C ATOM 2123 C LYS B 54 7.833 6.939 -9.880 1.00 12.23 C ATOM 2124 O LYS B 54 7.576 7.535 -10.931 1.00 21.15 O ATOM 2125 CB LYS B 54 8.505 4.637 -10.750 1.00 43.34 C ATOM 2126 CG LYS B 54 7.380 3.756 -10.147 1.00 0.22 C ATOM 2127 CD LYS B 54 6.958 2.577 -11.062 1.00 34.23 C ATOM 2128 CE LYS B 54 8.139 1.746 -11.593 1.00 14.21 C ATOM 2129 NZ LYS B 54 7.675 0.575 -12.371 1.00 55.54 N ATOM 0 H LYS B 54 8.638 4.597 -8.190 1.00 63.13 H new ATOM 0 HA LYS B 54 9.832 6.297 -10.267 1.00 75.34 H new ATOM 0 HB2 LYS B 54 8.175 5.012 -11.719 1.00 43.34 H new ATOM 0 HB3 LYS B 54 9.380 4.013 -10.931 1.00 43.34 H new ATOM 0 HG2 LYS B 54 7.715 3.359 -9.188 1.00 0.22 H new ATOM 0 HG3 LYS B 54 6.509 4.380 -9.947 1.00 0.22 H new ATOM 0 HD2 LYS B 54 6.286 1.922 -10.507 1.00 34.23 H new ATOM 0 HD3 LYS B 54 6.394 2.970 -11.908 1.00 34.23 H new ATOM 0 HE2 LYS B 54 8.773 2.373 -12.221 1.00 14.21 H new ATOM 0 HE3 LYS B 54 8.752 1.409 -10.757 1.00 14.21 H new ATOM 0 HZ1 LYS B 54 8.497 0.038 -12.713 1.00 55.54 H new ATOM 0 HZ2 LYS B 54 7.091 -0.035 -11.765 1.00 55.54 H new ATOM 0 HZ3 LYS B 54 7.111 0.899 -13.182 1.00 55.54 H new ATOM 2143 N VAL B 55 7.194 7.207 -8.717 1.00 21.52 N ATOM 2144 CA VAL B 55 6.139 8.251 -8.605 1.00 30.30 C ATOM 2145 C VAL B 55 6.331 9.157 -7.366 1.00 11.22 C ATOM 2146 O VAL B 55 7.068 8.827 -6.429 1.00 13.25 O ATOM 2147 CB VAL B 55 4.675 7.655 -8.559 1.00 31.54 C ATOM 2148 CG1 VAL B 55 4.395 6.727 -9.768 1.00 1.21 C ATOM 2149 CG2 VAL B 55 4.384 6.971 -7.199 1.00 41.34 C ATOM 0 H VAL B 55 7.388 6.718 -7.843 1.00 21.52 H new ATOM 0 HA VAL B 55 6.251 8.844 -9.513 1.00 30.30 H new ATOM 0 HB VAL B 55 3.976 8.487 -8.645 1.00 31.54 H new ATOM 0 HG11 VAL B 55 3.379 6.337 -9.700 1.00 1.21 H new ATOM 0 HG12 VAL B 55 4.506 7.292 -10.694 1.00 1.21 H new ATOM 0 HG13 VAL B 55 5.103 5.898 -9.762 1.00 1.21 H new ATOM 0 HG21 VAL B 55 3.369 6.573 -7.202 1.00 41.34 H new ATOM 0 HG22 VAL B 55 5.093 6.158 -7.042 1.00 41.34 H new ATOM 0 HG23 VAL B 55 4.485 7.701 -6.396 1.00 41.34 H new ATOM 2159 N VAL B 56 5.650 10.314 -7.407 1.00 11.33 N ATOM 2160 CA VAL B 56 5.445 11.203 -6.256 1.00 52.44 C ATOM 2161 C VAL B 56 3.954 11.223 -5.854 1.00 4.12 C ATOM 2162 O VAL B 56 3.061 11.307 -6.709 1.00 2.31 O ATOM 2163 CB VAL B 56 5.972 12.667 -6.533 1.00 33.33 C ATOM 2164 CG1 VAL B 56 7.510 12.667 -6.707 1.00 25.15 C ATOM 2165 CG2 VAL B 56 5.274 13.312 -7.763 1.00 13.53 C ATOM 0 H VAL B 56 5.217 10.664 -8.262 1.00 11.33 H new ATOM 0 HA VAL B 56 6.030 10.806 -5.426 1.00 52.44 H new ATOM 0 HB VAL B 56 5.720 13.276 -5.665 1.00 33.33 H new ATOM 0 HG11 VAL B 56 7.855 13.683 -6.897 1.00 25.15 H new ATOM 0 HG12 VAL B 56 7.979 12.289 -5.799 1.00 25.15 H new ATOM 0 HG13 VAL B 56 7.781 12.029 -7.548 1.00 25.15 H new ATOM 0 HG21 VAL B 56 5.666 14.317 -7.918 1.00 13.53 H new ATOM 0 HG22 VAL B 56 5.466 12.707 -8.649 1.00 13.53 H new ATOM 0 HG23 VAL B 56 4.200 13.364 -7.586 1.00 13.53 H new ATOM 2175 N THR B 57 3.697 11.099 -4.540 1.00 21.44 N ATOM 2176 CA THR B 57 2.335 11.141 -3.966 1.00 74.44 C ATOM 2177 C THR B 57 2.088 12.500 -3.291 1.00 15.34 C ATOM 2178 O THR B 57 3.000 13.091 -2.706 1.00 72.44 O ATOM 2179 CB THR B 57 2.101 9.987 -2.920 1.00 45.51 C ATOM 2180 OG1 THR B 57 3.038 10.093 -1.827 1.00 74.24 O ATOM 2181 CG2 THR B 57 2.227 8.596 -3.568 1.00 21.41 C ATOM 0 H THR B 57 4.429 10.966 -3.842 1.00 21.44 H new ATOM 0 HA THR B 57 1.632 11.000 -4.787 1.00 74.44 H new ATOM 0 HB THR B 57 1.085 10.099 -2.541 1.00 45.51 H new ATOM 0 HG1 THR B 57 2.877 9.369 -1.186 1.00 74.24 H new ATOM 0 HG21 THR B 57 2.059 7.827 -2.814 1.00 21.41 H new ATOM 0 HG22 THR B 57 1.486 8.495 -4.361 1.00 21.41 H new ATOM 0 HG23 THR B 57 3.226 8.480 -3.989 1.00 21.41 H new ATOM 2189 N SER B 58 0.853 12.995 -3.392 1.00 45.33 N ATOM 2190 CA SER B 58 0.430 14.265 -2.761 1.00 20.43 C ATOM 2191 C SER B 58 -1.060 14.203 -2.385 1.00 13.43 C ATOM 2192 O SER B 58 -1.776 13.256 -2.740 1.00 62.45 O ATOM 2193 CB SER B 58 0.696 15.478 -3.701 1.00 71.04 C ATOM 2194 OG SER B 58 -0.100 15.423 -4.876 1.00 32.34 O ATOM 0 H SER B 58 0.109 12.531 -3.914 1.00 45.33 H new ATOM 0 HA SER B 58 1.021 14.403 -1.855 1.00 20.43 H new ATOM 0 HB2 SER B 58 0.489 16.404 -3.165 1.00 71.04 H new ATOM 0 HB3 SER B 58 1.750 15.499 -3.977 1.00 71.04 H new ATOM 0 HG SER B 58 -0.363 14.495 -5.050 1.00 32.34 H new ATOM 2200 N GLU B 59 -1.499 15.211 -1.639 1.00 63.22 N ATOM 2201 CA GLU B 59 -2.903 15.397 -1.249 1.00 55.11 C ATOM 2202 C GLU B 59 -3.427 16.713 -1.860 1.00 21.54 C ATOM 2203 O GLU B 59 -2.865 17.785 -1.611 1.00 33.21 O ATOM 2204 CB GLU B 59 -3.029 15.433 0.303 1.00 51.04 C ATOM 2205 CG GLU B 59 -4.455 15.719 0.829 1.00 72.52 C ATOM 2206 CD GLU B 59 -4.503 15.948 2.350 1.00 62.43 C ATOM 2207 OE1 GLU B 59 -3.925 16.953 2.825 1.00 21.53 O ATOM 2208 OE2 GLU B 59 -5.114 15.141 3.077 1.00 12.43 O ATOM 0 H GLU B 59 -0.882 15.939 -1.279 1.00 63.22 H new ATOM 0 HA GLU B 59 -3.498 14.563 -1.621 1.00 55.11 H new ATOM 0 HB2 GLU B 59 -2.694 14.476 0.703 1.00 51.04 H new ATOM 0 HB3 GLU B 59 -2.354 16.195 0.691 1.00 51.04 H new ATOM 0 HG2 GLU B 59 -4.853 16.598 0.323 1.00 72.52 H new ATOM 0 HG3 GLU B 59 -5.105 14.882 0.573 1.00 72.52 H new ATOM 2215 N VAL B 60 -4.485 16.616 -2.684 1.00 41.10 N ATOM 2216 CA VAL B 60 -5.216 17.787 -3.210 1.00 53.30 C ATOM 2217 C VAL B 60 -6.626 17.840 -2.587 1.00 73.34 C ATOM 2218 O VAL B 60 -7.495 17.015 -2.898 1.00 13.12 O ATOM 2219 CB VAL B 60 -5.299 17.785 -4.784 1.00 35.15 C ATOM 2220 CG1 VAL B 60 -6.261 18.888 -5.323 1.00 71.02 C ATOM 2221 CG2 VAL B 60 -3.883 17.943 -5.386 1.00 35.45 C ATOM 0 H VAL B 60 -4.859 15.723 -3.006 1.00 41.10 H new ATOM 0 HA VAL B 60 -4.660 18.682 -2.929 1.00 53.30 H new ATOM 0 HB VAL B 60 -5.714 16.827 -5.096 1.00 35.15 H new ATOM 0 HG11 VAL B 60 -6.286 18.848 -6.412 1.00 71.02 H new ATOM 0 HG12 VAL B 60 -7.264 18.720 -4.931 1.00 71.02 H new ATOM 0 HG13 VAL B 60 -5.906 19.868 -5.004 1.00 71.02 H new ATOM 0 HG21 VAL B 60 -3.948 17.941 -6.474 1.00 35.45 H new ATOM 0 HG22 VAL B 60 -3.448 18.884 -5.050 1.00 35.45 H new ATOM 0 HG23 VAL B 60 -3.254 17.115 -5.058 1.00 35.45 H new ATOM 2231 N GLU B 61 -6.804 18.823 -1.679 1.00 32.54 N ATOM 2232 CA GLU B 61 -8.096 19.192 -1.061 1.00 11.32 C ATOM 2233 C GLU B 61 -8.863 17.991 -0.422 1.00 1.24 C ATOM 2234 O GLU B 61 -10.096 17.911 -0.491 1.00 63.15 O ATOM 2235 CB GLU B 61 -8.956 19.961 -2.107 1.00 73.44 C ATOM 2236 CG GLU B 61 -8.208 21.133 -2.785 1.00 75.13 C ATOM 2237 CD GLU B 61 -9.114 21.991 -3.680 1.00 5.34 C ATOM 2238 OE1 GLU B 61 -9.744 22.945 -3.170 1.00 31.33 O ATOM 2239 OE2 GLU B 61 -9.198 21.725 -4.895 1.00 30.14 O ATOM 0 H GLU B 61 -6.031 19.399 -1.346 1.00 32.54 H new ATOM 0 HA GLU B 61 -7.885 19.845 -0.214 1.00 11.32 H new ATOM 0 HB2 GLU B 61 -9.290 19.262 -2.874 1.00 73.44 H new ATOM 0 HB3 GLU B 61 -9.850 20.347 -1.617 1.00 73.44 H new ATOM 0 HG2 GLU B 61 -7.764 21.765 -2.016 1.00 75.13 H new ATOM 0 HG3 GLU B 61 -7.389 20.735 -3.383 1.00 75.13 H new ATOM 2246 N GLY B 62 -8.108 17.093 0.250 1.00 65.43 N ATOM 2247 CA GLY B 62 -8.682 15.912 0.931 1.00 62.33 C ATOM 2248 C GLY B 62 -8.650 14.606 0.111 1.00 44.31 C ATOM 2249 O GLY B 62 -8.988 13.536 0.637 1.00 72.22 O ATOM 0 H GLY B 62 -7.094 17.165 0.335 1.00 65.43 H new ATOM 0 HA2 GLY B 62 -8.141 15.751 1.864 1.00 62.33 H new ATOM 0 HA3 GLY B 62 -9.716 16.131 1.196 1.00 62.33 H new ATOM 2253 N GLU B 63 -8.251 14.685 -1.176 1.00 63.45 N ATOM 2254 CA GLU B 63 -8.114 13.496 -2.069 1.00 65.23 C ATOM 2255 C GLU B 63 -6.630 13.189 -2.364 1.00 4.03 C ATOM 2256 O GLU B 63 -5.783 14.079 -2.307 1.00 63.13 O ATOM 2257 CB GLU B 63 -8.874 13.703 -3.411 1.00 53.23 C ATOM 2258 CG GLU B 63 -10.397 13.867 -3.270 1.00 70.33 C ATOM 2259 CD GLU B 63 -11.129 13.802 -4.620 1.00 42.42 C ATOM 2260 OE1 GLU B 63 -11.285 14.846 -5.288 1.00 41.25 O ATOM 2261 OE2 GLU B 63 -11.537 12.691 -5.033 1.00 55.24 O ATOM 0 H GLU B 63 -8.014 15.566 -1.631 1.00 63.45 H new ATOM 0 HA GLU B 63 -8.555 12.650 -1.542 1.00 65.23 H new ATOM 0 HB2 GLU B 63 -8.472 14.586 -3.908 1.00 53.23 H new ATOM 0 HB3 GLU B 63 -8.673 12.852 -4.062 1.00 53.23 H new ATOM 0 HG2 GLU B 63 -10.783 13.087 -2.614 1.00 70.33 H new ATOM 0 HG3 GLU B 63 -10.612 14.822 -2.790 1.00 70.33 H new ATOM 2268 N ILE B 64 -6.330 11.917 -2.685 1.00 52.25 N ATOM 2269 CA ILE B 64 -4.976 11.492 -3.094 1.00 4.34 C ATOM 2270 C ILE B 64 -4.745 11.818 -4.589 1.00 11.44 C ATOM 2271 O ILE B 64 -5.452 11.302 -5.447 1.00 11.23 O ATOM 2272 CB ILE B 64 -4.758 9.947 -2.857 1.00 22.41 C ATOM 2273 CG1 ILE B 64 -5.031 9.567 -1.365 1.00 2.21 C ATOM 2274 CG2 ILE B 64 -3.337 9.500 -3.295 1.00 2.30 C ATOM 2275 CD1 ILE B 64 -4.878 8.082 -1.039 1.00 3.22 C ATOM 0 H ILE B 64 -7.013 11.159 -2.669 1.00 52.25 H new ATOM 0 HA ILE B 64 -4.260 12.039 -2.481 1.00 4.34 H new ATOM 0 HB ILE B 64 -5.476 9.413 -3.479 1.00 22.41 H new ATOM 0 HG12 ILE B 64 -4.350 10.135 -0.731 1.00 2.21 H new ATOM 0 HG13 ILE B 64 -6.043 9.878 -1.106 1.00 2.21 H new ATOM 0 HG21 ILE B 64 -3.221 8.431 -3.118 1.00 2.30 H new ATOM 0 HG22 ILE B 64 -3.201 9.709 -4.356 1.00 2.30 H new ATOM 0 HG23 ILE B 64 -2.590 10.046 -2.719 1.00 2.30 H new ATOM 0 HD11 ILE B 64 -5.087 7.918 0.018 1.00 3.22 H new ATOM 0 HD12 ILE B 64 -5.578 7.503 -1.642 1.00 3.22 H new ATOM 0 HD13 ILE B 64 -3.859 7.764 -1.261 1.00 3.22 H new ATOM 2287 N PHE B 65 -3.757 12.679 -4.877 1.00 35.34 N ATOM 2288 CA PHE B 65 -3.300 12.978 -6.255 1.00 63.51 C ATOM 2289 C PHE B 65 -1.852 12.486 -6.412 1.00 73.53 C ATOM 2290 O PHE B 65 -0.994 12.797 -5.586 1.00 3.13 O ATOM 2291 CB PHE B 65 -3.388 14.498 -6.563 1.00 42.44 C ATOM 2292 CG PHE B 65 -2.868 14.884 -7.957 1.00 24.53 C ATOM 2293 CD1 PHE B 65 -3.666 14.724 -9.086 1.00 74.31 C ATOM 2294 CD2 PHE B 65 -1.568 15.378 -8.139 1.00 32.14 C ATOM 2295 CE1 PHE B 65 -3.194 15.048 -10.342 1.00 44.20 C ATOM 2296 CE2 PHE B 65 -1.097 15.695 -9.400 1.00 14.41 C ATOM 2297 CZ PHE B 65 -1.910 15.528 -10.501 1.00 14.10 C ATOM 0 H PHE B 65 -3.246 13.194 -4.160 1.00 35.34 H new ATOM 0 HA PHE B 65 -3.949 12.464 -6.963 1.00 63.51 H new ATOM 0 HB2 PHE B 65 -4.426 14.817 -6.472 1.00 42.44 H new ATOM 0 HB3 PHE B 65 -2.820 15.044 -5.810 1.00 42.44 H new ATOM 0 HD1 PHE B 65 -4.670 14.341 -8.978 1.00 74.31 H new ATOM 0 HD2 PHE B 65 -0.925 15.513 -7.282 1.00 32.14 H new ATOM 0 HE1 PHE B 65 -3.833 14.925 -11.204 1.00 44.20 H new ATOM 0 HE2 PHE B 65 -0.093 16.073 -9.522 1.00 14.41 H new ATOM 0 HZ PHE B 65 -1.542 15.773 -11.487 1.00 14.10 H new ATOM 2307 N VAL B 66 -1.576 11.724 -7.478 1.00 54.03 N ATOM 2308 CA VAL B 66 -0.242 11.120 -7.716 1.00 62.32 C ATOM 2309 C VAL B 66 0.187 11.282 -9.190 1.00 64.23 C ATOM 2310 O VAL B 66 -0.661 11.430 -10.082 1.00 15.25 O ATOM 2311 CB VAL B 66 -0.221 9.597 -7.302 1.00 52.31 C ATOM 2312 CG1 VAL B 66 -0.542 9.422 -5.800 1.00 4.22 C ATOM 2313 CG2 VAL B 66 -1.196 8.765 -8.160 1.00 51.53 C ATOM 0 H VAL B 66 -2.261 11.505 -8.201 1.00 54.03 H new ATOM 0 HA VAL B 66 0.473 11.653 -7.090 1.00 62.32 H new ATOM 0 HB VAL B 66 0.788 9.228 -7.483 1.00 52.31 H new ATOM 0 HG11 VAL B 66 -0.520 8.363 -5.544 1.00 4.22 H new ATOM 0 HG12 VAL B 66 0.200 9.954 -5.205 1.00 4.22 H new ATOM 0 HG13 VAL B 66 -1.533 9.826 -5.590 1.00 4.22 H new ATOM 0 HG21 VAL B 66 -1.156 7.721 -7.848 1.00 51.53 H new ATOM 0 HG22 VAL B 66 -2.210 9.144 -8.030 1.00 51.53 H new ATOM 0 HG23 VAL B 66 -0.913 8.841 -9.210 1.00 51.53 H new ATOM 2323 N LYS B 67 1.514 11.271 -9.425 1.00 23.33 N ATOM 2324 CA LYS B 67 2.100 11.340 -10.790 1.00 3.51 C ATOM 2325 C LYS B 67 3.553 10.833 -10.769 1.00 33.54 C ATOM 2326 O LYS B 67 4.039 10.455 -9.723 1.00 13.35 O ATOM 2327 CB LYS B 67 2.032 12.784 -11.357 1.00 63.44 C ATOM 2328 CG LYS B 67 2.796 13.855 -10.541 1.00 70.12 C ATOM 2329 CD LYS B 67 2.770 15.243 -11.226 1.00 63.33 C ATOM 2330 CE LYS B 67 3.393 15.210 -12.630 1.00 22.41 C ATOM 2331 NZ LYS B 67 3.325 16.520 -13.315 1.00 61.23 N ATOM 0 H LYS B 67 2.211 11.215 -8.683 1.00 23.33 H new ATOM 0 HA LYS B 67 1.513 10.698 -11.447 1.00 3.51 H new ATOM 0 HB2 LYS B 67 2.427 12.776 -12.373 1.00 63.44 H new ATOM 0 HB3 LYS B 67 0.985 13.081 -11.424 1.00 63.44 H new ATOM 0 HG2 LYS B 67 2.356 13.934 -9.547 1.00 70.12 H new ATOM 0 HG3 LYS B 67 3.830 13.538 -10.407 1.00 70.12 H new ATOM 0 HD2 LYS B 67 1.740 15.592 -11.296 1.00 63.33 H new ATOM 0 HD3 LYS B 67 3.309 15.961 -10.608 1.00 63.33 H new ATOM 0 HE2 LYS B 67 4.435 14.898 -12.554 1.00 22.41 H new ATOM 0 HE3 LYS B 67 2.879 14.462 -13.234 1.00 22.41 H new ATOM 0 HZ1 LYS B 67 3.759 16.442 -14.257 1.00 61.23 H new ATOM 0 HZ2 LYS B 67 2.331 16.809 -13.414 1.00 61.23 H new ATOM 0 HZ3 LYS B 67 3.838 17.231 -12.756 1.00 61.23 H new ATOM 2345 N LEU B 68 4.251 10.855 -11.918 1.00 61.24 N ATOM 2346 CA LEU B 68 5.630 10.300 -12.028 1.00 63.32 C ATOM 2347 C LEU B 68 6.699 11.234 -11.398 1.00 15.20 C ATOM 2348 O LEU B 68 6.372 12.284 -10.837 1.00 12.55 O ATOM 2349 CB LEU B 68 5.982 10.028 -13.519 1.00 14.43 C ATOM 2350 CG LEU B 68 4.953 9.196 -14.350 1.00 71.53 C ATOM 2351 CD1 LEU B 68 5.558 8.716 -15.687 1.00 12.41 C ATOM 2352 CD2 LEU B 68 4.388 8.018 -13.538 1.00 24.03 C ATOM 0 H LEU B 68 3.892 11.249 -12.788 1.00 61.24 H new ATOM 0 HA LEU B 68 5.642 9.365 -11.468 1.00 63.32 H new ATOM 0 HB2 LEU B 68 6.120 10.989 -14.015 1.00 14.43 H new ATOM 0 HB3 LEU B 68 6.941 9.511 -13.552 1.00 14.43 H new ATOM 0 HG LEU B 68 4.121 9.859 -14.586 1.00 71.53 H new ATOM 0 HD11 LEU B 68 4.814 8.141 -16.238 1.00 12.41 H new ATOM 0 HD12 LEU B 68 5.861 9.579 -16.280 1.00 12.41 H new ATOM 0 HD13 LEU B 68 6.427 8.089 -15.489 1.00 12.41 H new ATOM 0 HD21 LEU B 68 3.676 7.463 -14.149 1.00 24.03 H new ATOM 0 HD22 LEU B 68 5.202 7.358 -13.240 1.00 24.03 H new ATOM 0 HD23 LEU B 68 3.884 8.397 -12.649 1.00 24.03 H new ATOM 2364 N VAL B 69 7.981 10.809 -11.472 1.00 5.35 N ATOM 2365 CA VAL B 69 9.162 11.669 -11.156 1.00 12.35 C ATOM 2366 C VAL B 69 9.986 11.966 -12.456 1.00 31.12 C ATOM 2367 O VAL B 69 10.968 12.717 -12.436 1.00 63.11 O ATOM 2368 CB VAL B 69 10.115 10.984 -10.083 1.00 71.35 C ATOM 2369 CG1 VAL B 69 11.123 11.987 -9.457 1.00 75.15 C ATOM 2370 CG2 VAL B 69 9.318 10.263 -8.973 1.00 44.32 C ATOM 0 H VAL B 69 8.234 9.861 -11.752 1.00 5.35 H new ATOM 0 HA VAL B 69 8.780 12.601 -10.739 1.00 12.35 H new ATOM 0 HB VAL B 69 10.687 10.236 -10.631 1.00 71.35 H new ATOM 0 HG11 VAL B 69 11.749 11.468 -8.731 1.00 75.15 H new ATOM 0 HG12 VAL B 69 11.750 12.410 -10.242 1.00 75.15 H new ATOM 0 HG13 VAL B 69 10.577 12.788 -8.958 1.00 75.15 H new ATOM 0 HG21 VAL B 69 10.011 9.810 -8.263 1.00 44.32 H new ATOM 0 HG22 VAL B 69 8.685 10.983 -8.454 1.00 44.32 H new ATOM 0 HG23 VAL B 69 8.695 9.487 -9.418 1.00 44.32 H new ATOM 2380 N LEU B 70 9.538 11.404 -13.599 1.00 13.42 N ATOM 2381 CA LEU B 70 10.351 11.303 -14.835 1.00 72.41 C ATOM 2382 C LEU B 70 9.566 11.753 -16.101 1.00 12.15 C ATOM 2383 O LEU B 70 9.620 11.090 -17.151 1.00 61.45 O ATOM 2384 CB LEU B 70 10.876 9.837 -15.000 1.00 10.14 C ATOM 2385 CG LEU B 70 9.787 8.693 -15.065 1.00 75.12 C ATOM 2386 CD1 LEU B 70 10.277 7.500 -15.922 1.00 10.30 C ATOM 2387 CD2 LEU B 70 9.362 8.212 -13.652 1.00 4.44 C ATOM 0 H LEU B 70 8.603 11.007 -13.693 1.00 13.42 H new ATOM 0 HA LEU B 70 11.196 11.985 -14.734 1.00 72.41 H new ATOM 0 HB2 LEU B 70 11.473 9.790 -15.911 1.00 10.14 H new ATOM 0 HB3 LEU B 70 11.547 9.621 -14.168 1.00 10.14 H new ATOM 0 HG LEU B 70 8.907 9.122 -15.544 1.00 75.12 H new ATOM 0 HD11 LEU B 70 9.506 6.730 -15.948 1.00 10.30 H new ATOM 0 HD12 LEU B 70 10.483 7.841 -16.937 1.00 10.30 H new ATOM 0 HD13 LEU B 70 11.187 7.088 -15.486 1.00 10.30 H new ATOM 0 HD21 LEU B 70 8.613 7.426 -13.745 1.00 4.44 H new ATOM 0 HD22 LEU B 70 10.232 7.823 -13.123 1.00 4.44 H new ATOM 0 HD23 LEU B 70 8.942 9.049 -13.094 1.00 4.44 H new ATOM 2399 N GLU B 71 8.877 12.905 -16.019 1.00 20.44 N ATOM 2400 CA GLU B 71 8.162 13.480 -17.188 1.00 51.21 C ATOM 2401 C GLU B 71 9.177 13.926 -18.271 1.00 62.22 C ATOM 2402 O GLU B 71 9.899 14.914 -18.093 1.00 62.24 O ATOM 2403 CB GLU B 71 7.241 14.673 -16.781 1.00 74.14 C ATOM 2404 CG GLU B 71 6.145 14.342 -15.736 1.00 73.11 C ATOM 2405 CD GLU B 71 6.644 14.405 -14.281 1.00 53.14 C ATOM 2406 OE1 GLU B 71 6.585 15.497 -13.671 1.00 52.34 O ATOM 2407 OE2 GLU B 71 7.109 13.379 -13.752 1.00 22.14 O ATOM 0 H GLU B 71 8.796 13.458 -15.165 1.00 20.44 H new ATOM 0 HA GLU B 71 7.521 12.699 -17.597 1.00 51.21 H new ATOM 0 HB2 GLU B 71 7.866 15.474 -16.385 1.00 74.14 H new ATOM 0 HB3 GLU B 71 6.758 15.059 -17.679 1.00 74.14 H new ATOM 0 HG2 GLU B 71 5.316 15.039 -15.858 1.00 73.11 H new ATOM 0 HG3 GLU B 71 5.754 13.344 -15.935 1.00 73.11 H new ATOM 2414 N HIS B 72 9.221 13.172 -19.385 1.00 34.21 N ATOM 2415 CA HIS B 72 10.214 13.374 -20.463 1.00 63.30 C ATOM 2416 C HIS B 72 9.984 14.711 -21.200 1.00 32.23 C ATOM 2417 O HIS B 72 8.984 14.879 -21.912 1.00 4.10 O ATOM 2418 CB HIS B 72 10.186 12.176 -21.447 1.00 10.22 C ATOM 2419 CG HIS B 72 10.543 10.866 -20.795 1.00 51.15 C ATOM 2420 ND1 HIS B 72 11.832 10.386 -20.743 1.00 24.43 N ATOM 2421 CD2 HIS B 72 9.785 9.951 -20.143 1.00 22.21 C ATOM 2422 CE1 HIS B 72 11.854 9.246 -20.092 1.00 41.10 C ATOM 2423 NE2 HIS B 72 10.631 8.959 -19.715 1.00 63.43 N ATOM 0 H HIS B 72 8.572 12.406 -19.565 1.00 34.21 H new ATOM 0 HA HIS B 72 11.204 13.425 -20.010 1.00 63.30 H new ATOM 0 HB2 HIS B 72 9.191 12.097 -21.886 1.00 10.22 H new ATOM 0 HB3 HIS B 72 10.881 12.369 -22.265 1.00 10.22 H new ATOM 0 HD2 HIS B 72 8.717 9.994 -19.989 1.00 22.21 H new ATOM 0 HE1 HIS B 72 12.731 8.646 -19.899 1.00 41.10 H new ATOM 0 HE2 HIS B 72 10.353 8.131 -19.188 1.00 63.43 H new ATOM 2432 N HIS B 73 10.903 15.671 -20.973 1.00 23.42 N ATOM 2433 CA HIS B 73 10.863 17.005 -21.601 1.00 63.33 C ATOM 2434 C HIS B 73 11.228 16.886 -23.102 1.00 71.50 C ATOM 2435 O HIS B 73 12.397 17.014 -23.476 1.00 22.24 O ATOM 2436 CB HIS B 73 11.832 17.966 -20.855 1.00 41.20 C ATOM 2437 CG HIS B 73 11.540 18.115 -19.378 1.00 64.01 C ATOM 2438 ND1 HIS B 73 11.883 17.159 -18.441 1.00 64.23 N ATOM 2439 CD2 HIS B 73 10.942 19.107 -18.681 1.00 13.44 C ATOM 2440 CE1 HIS B 73 11.509 17.556 -17.246 1.00 32.20 C ATOM 2441 NE2 HIS B 73 10.939 18.734 -17.362 1.00 4.13 N ATOM 0 H HIS B 73 11.697 15.541 -20.346 1.00 23.42 H new ATOM 0 HA HIS B 73 9.857 17.418 -21.529 1.00 63.33 H new ATOM 0 HB2 HIS B 73 12.852 17.603 -20.978 1.00 41.20 H new ATOM 0 HB3 HIS B 73 11.785 18.949 -21.325 1.00 41.20 H new ATOM 0 HD2 HIS B 73 10.541 20.023 -19.088 1.00 13.44 H new ATOM 0 HE1 HIS B 73 11.647 17.008 -16.326 1.00 32.20 H new ATOM 0 HE2 HIS B 73 10.555 19.283 -16.593 1.00 4.13 H new ATOM 2450 N HIS B 74 10.216 16.576 -23.944 1.00 12.12 N ATOM 2451 CA HIS B 74 10.405 16.361 -25.393 1.00 72.24 C ATOM 2452 C HIS B 74 10.542 17.720 -26.130 1.00 33.21 C ATOM 2453 O HIS B 74 9.607 18.225 -26.762 1.00 14.22 O ATOM 2454 CB HIS B 74 9.249 15.489 -25.955 1.00 55.42 C ATOM 2455 CG HIS B 74 9.407 15.092 -27.401 1.00 61.31 C ATOM 2456 ND1 HIS B 74 10.584 14.599 -27.922 1.00 43.14 N ATOM 2457 CD2 HIS B 74 8.532 15.116 -28.433 1.00 31.12 C ATOM 2458 CE1 HIS B 74 10.429 14.341 -29.200 1.00 51.24 C ATOM 2459 NE2 HIS B 74 9.194 14.643 -29.539 1.00 11.34 N ATOM 0 H HIS B 74 9.249 16.469 -23.637 1.00 12.12 H new ATOM 0 HA HIS B 74 11.334 15.816 -25.564 1.00 72.24 H new ATOM 0 HB2 HIS B 74 9.166 14.585 -25.351 1.00 55.42 H new ATOM 0 HB3 HIS B 74 8.312 16.035 -25.842 1.00 55.42 H new ATOM 0 HD2 HIS B 74 7.504 15.446 -28.394 1.00 31.12 H new ATOM 0 HE1 HIS B 74 11.187 13.947 -29.861 1.00 51.24 H new ATOM 0 HE2 HIS B 74 8.794 14.542 -30.472 1.00 11.34 H new ATOM 2468 N HIS B 75 11.735 18.316 -25.966 1.00 35.24 N ATOM 2469 CA HIS B 75 12.125 19.621 -26.537 1.00 33.25 C ATOM 2470 C HIS B 75 13.639 19.610 -26.855 1.00 14.23 C ATOM 2471 O HIS B 75 14.435 19.040 -26.099 1.00 13.23 O ATOM 2472 CB HIS B 75 11.800 20.784 -25.551 1.00 23.23 C ATOM 2473 CG HIS B 75 10.330 21.080 -25.392 1.00 74.40 C ATOM 2474 ND1 HIS B 75 9.610 20.762 -24.261 1.00 75.13 N ATOM 2475 CD2 HIS B 75 9.450 21.680 -26.229 1.00 65.50 C ATOM 2476 CE1 HIS B 75 8.360 21.145 -24.407 1.00 30.24 C ATOM 2477 NE2 HIS B 75 8.232 21.705 -25.594 1.00 73.44 N ATOM 0 H HIS B 75 12.480 17.891 -25.415 1.00 35.24 H new ATOM 0 HA HIS B 75 11.556 19.784 -27.452 1.00 33.25 H new ATOM 0 HB2 HIS B 75 12.216 20.541 -24.573 1.00 23.23 H new ATOM 0 HB3 HIS B 75 12.304 21.687 -25.896 1.00 23.23 H new ATOM 0 HD2 HIS B 75 9.666 22.067 -27.214 1.00 65.50 H new ATOM 0 HE1 HIS B 75 7.572 21.022 -23.678 1.00 30.24 H new ATOM 0 HE2 HIS B 75 7.370 22.093 -25.978 1.00 73.44 H new ATOM 2486 N HIS B 76 14.030 20.255 -27.967 1.00 74.54 N ATOM 2487 CA HIS B 76 15.436 20.298 -28.435 1.00 21.21 C ATOM 2488 C HIS B 76 16.218 21.484 -27.795 1.00 64.25 C ATOM 2489 O HIS B 76 17.452 21.530 -27.851 1.00 21.13 O ATOM 2490 CB HIS B 76 15.444 20.389 -29.984 1.00 44.54 C ATOM 2491 CG HIS B 76 16.787 20.165 -30.630 1.00 53.12 C ATOM 2492 ND1 HIS B 76 17.357 18.916 -30.755 1.00 62.11 N ATOM 2493 CD2 HIS B 76 17.672 21.029 -31.185 1.00 73.23 C ATOM 2494 CE1 HIS B 76 18.522 19.017 -31.356 1.00 10.23 C ATOM 2495 NE2 HIS B 76 18.739 20.285 -31.627 1.00 24.34 N ATOM 0 H HIS B 76 13.384 20.763 -28.571 1.00 74.54 H new ATOM 0 HA HIS B 76 15.945 19.386 -28.122 1.00 21.21 H new ATOM 0 HB2 HIS B 76 14.741 19.656 -30.379 1.00 44.54 H new ATOM 0 HB3 HIS B 76 15.077 21.373 -30.277 1.00 44.54 H new ATOM 0 HD2 HIS B 76 17.559 22.100 -31.265 1.00 73.23 H new ATOM 0 HE1 HIS B 76 19.187 18.198 -31.588 1.00 10.23 H new ATOM 0 HE2 HIS B 76 19.567 20.657 -32.091 1.00 24.34 H new ATOM 2504 N HIS B 77 15.484 22.437 -27.189 1.00 4.32 N ATOM 2505 CA HIS B 77 16.082 23.605 -26.490 1.00 72.33 C ATOM 2506 C HIS B 77 16.413 23.260 -25.021 1.00 74.45 C ATOM 2507 O HIS B 77 17.382 22.551 -24.730 1.00 11.42 O ATOM 2508 CB HIS B 77 15.109 24.807 -26.578 1.00 1.02 C ATOM 2509 CG HIS B 77 15.578 26.058 -25.885 1.00 50.23 C ATOM 2510 ND1 HIS B 77 14.986 26.545 -24.742 1.00 53.50 N ATOM 2511 CD2 HIS B 77 16.570 26.931 -26.187 1.00 43.22 C ATOM 2512 CE1 HIS B 77 15.584 27.655 -24.371 1.00 74.30 C ATOM 2513 NE2 HIS B 77 16.550 27.913 -25.226 1.00 4.34 N ATOM 0 H HIS B 77 14.464 22.425 -27.167 1.00 4.32 H new ATOM 0 HA HIS B 77 17.020 23.873 -26.977 1.00 72.33 H new ATOM 0 HB2 HIS B 77 14.933 25.036 -27.629 1.00 1.02 H new ATOM 0 HB3 HIS B 77 14.151 24.511 -26.151 1.00 1.02 H new ATOM 0 HD2 HIS B 77 17.248 26.867 -27.025 1.00 43.22 H new ATOM 0 HE1 HIS B 77 15.326 28.254 -23.510 1.00 74.30 H new ATOM 0 HE2 HIS B 77 17.182 28.713 -25.183 1.00 4.34 H new TER 2522 HIS B 77