USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 LYS NZ :NH3+ 167:sc= 0.932 (180deg=-0.111) USER MOD Set 1.2: A 131 SER OG : rot 92:sc= 1.95 USER MOD Set 2.1: A 107 ASN : amide:sc= 0.839 K(o=1.7,f=-0.41) USER MOD Set 2.2: A 109 SER OG : rot 103:sc= 0.905 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.958 K(o=1.9,f=-13!) USER MOD Set 3.2: A 105 LYS NZ :NH3+ 167:sc= 0.926 (180deg=0) USER MOD Set 4.1: A 85 ASN : amide:sc= -0.495 K(o=-2.2,f=-4.1) USER MOD Set 4.2: A 86 HIS : no HD1:sc= -1.69 X(o=-2.2,f=-2.2) USER MOD Set 5.1: A 48 TYR OH : rot -40:sc= 0.887 USER MOD Set 5.2: A 57 TYR OH : rot 180:sc= 0.184 USER MOD Set 5.3: A 76 CYS SG : rot -124:sc= -1.49! USER MOD Set 6.1: A 36 GLN :FLIP amide:sc= -0.221 F(o=-1,f=0.82) USER MOD Set 6.2: A 38 GLN : amide:sc= 0.103 K(o=0.82,f=-12!) USER MOD Set 6.3: A 50 LYS NZ :NH3+ -111:sc= 0.942 (180deg=0.627) USER MOD Set 7.1: A 40 SER OG : rot 48:sc= 0.631 USER MOD Set 7.2: A 132 SER OG : rot -110:sc= -1.16! USER MOD Set 8.1: A 34 HIS : no HD1:sc= 0.512 K(o=1.2,f=-4.7!) USER MOD Set 8.2: A 52 THR OG1 : rot -132:sc= 0.722 USER MOD Set 9.1: A 8 TYR OH : rot 172:sc= 0.221 USER MOD Set 9.2: A 14 HIS :FLIP no HD1:sc= 0.88 F(o=-0.047,f=1.1) USER MOD Set10.1: A 1 TYR OH : rot 2:sc= 0.994 USER MOD Set10.2: A 2 LYS NZ :NH3+ 175:sc= 1.2 (180deg=0.0123) USER MOD Single : A 1 TYR N :NH3+ -147:sc= 0.494 (180deg=-0.00787) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -22:sc= 0.566 USER MOD Single : A 27 THR OG1 : rot -40:sc= -3! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.822 K(o=0.82,f=-14!) USER MOD Single : A 43 SER OG : rot 131:sc= 1.39 USER MOD Single : A 51 SER OG : rot -150:sc= -0.0987 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0533 K(o=-0.053,f=-2) USER MOD Single : A 60 MET CE :methyl -147:sc= -4.54! (180deg=-7.28!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 45:sc= 1.11 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0299 USER MOD Single : A 70 GLN : amide:sc= -1.64 K(o=-1.6,f=-5.9!) USER MOD Single : A 71 THR OG1 : rot 69:sc= 1.12 USER MOD Single : A 73 ASN : amide:sc= -2.02! C(o=-2!,f=-10!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -1.06 F(o=-5.2!,f=-1.1) USER MOD Single : A 89 THR OG1 : rot -150:sc= -1.32 USER MOD Single : A 90 TYR OH : rot 61:sc= 1 USER MOD Single : A 92 SER OG : rot -106:sc= 0.632 USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 1.14 (180deg=0.838) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 1.16 (180deg=0.922) USER MOD Single : A 95 HIS : no HD1:sc= 0.156 K(o=0.16,f=-5.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.46) USER MOD Single : A 106 LYS NZ :NH3+ 149:sc= 1.08 (180deg=0.816) USER MOD Single : A 110 CYS SG : rot 170:sc= -1.75 USER MOD Single : A 111 LYS NZ :NH3+ -178:sc= 1.09 (180deg=1.07) USER MOD Single : A 116 THR OG1 : rot -165:sc= 0.423 USER MOD Single : A 117 HIS : no HD1:sc= -0.869 X(o=-0.87,f=-0.75) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 160:sc= 1.76 (180deg=-0.188!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.474 -1.538 -9.704 1.00 0.54 N ATOM 2 CA TYR A 1 15.245 -2.295 -9.348 1.00 0.51 C ATOM 3 C TYR A 1 14.566 -1.728 -8.095 1.00 0.43 C ATOM 4 O TYR A 1 13.344 -1.809 -7.967 1.00 0.59 O ATOM 5 CB TYR A 1 15.558 -3.787 -9.149 1.00 0.57 C ATOM 6 CG TYR A 1 16.460 -4.073 -7.970 1.00 0.55 C ATOM 7 CD1 TYR A 1 17.841 -4.009 -8.098 1.00 0.77 C ATOM 8 CD2 TYR A 1 15.931 -4.396 -6.726 1.00 0.53 C ATOM 9 CE1 TYR A 1 18.670 -4.260 -7.026 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.754 -4.643 -5.646 1.00 0.65 C ATOM 11 CZ TYR A 1 18.122 -4.574 -5.803 1.00 0.85 C ATOM 12 OH TYR A 1 18.947 -4.794 -4.723 1.00 1.08 O ATOM 0 H1 TYR A 1 16.589 -1.530 -10.738 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.393 -0.561 -9.357 1.00 0.54 H new ATOM 0 H3 TYR A 1 17.301 -1.993 -9.267 1.00 0.54 H new ATOM 0 HA TYR A 1 14.552 -2.187 -10.182 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.622 -4.330 -9.018 1.00 0.57 H new ATOM 0 HB3 TYR A 1 16.026 -4.174 -10.054 1.00 0.57 H new ATOM 0 HD1 TYR A 1 18.274 -3.758 -9.055 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.860 -4.455 -6.603 1.00 0.53 H new ATOM 0 HE1 TYR A 1 19.742 -4.211 -7.145 1.00 0.93 H new ATOM 0 HE2 TYR A 1 16.329 -4.889 -4.684 1.00 0.65 H new ATOM 0 HH TYR A 1 19.880 -4.665 -4.993 1.00 1.08 H new ATOM 24 N LYS A 2 15.338 -1.155 -7.166 1.00 0.35 N ATOM 25 CA LYS A 2 14.750 -0.590 -5.957 1.00 0.39 C ATOM 26 C LYS A 2 15.122 0.887 -5.819 1.00 0.34 C ATOM 27 O LYS A 2 16.298 1.253 -5.849 1.00 0.48 O ATOM 28 CB LYS A 2 15.156 -1.399 -4.705 1.00 0.54 C ATOM 29 CG LYS A 2 16.465 -0.976 -4.043 1.00 0.73 C ATOM 30 CD LYS A 2 17.682 -1.353 -4.875 1.00 1.05 C ATOM 31 CE LYS A 2 18.946 -1.411 -4.026 1.00 1.15 C ATOM 32 NZ LYS A 2 19.072 -2.691 -3.272 1.00 1.40 N ATOM 0 H LYS A 2 16.353 -1.073 -7.229 1.00 0.35 H new ATOM 0 HA LYS A 2 13.665 -0.655 -6.042 1.00 0.39 H new ATOM 0 HB2 LYS A 2 14.356 -1.322 -3.969 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.233 -2.450 -4.983 1.00 0.54 H new ATOM 0 HG2 LYS A 2 16.457 0.102 -3.883 1.00 0.73 H new ATOM 0 HG3 LYS A 2 16.540 -1.443 -3.061 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.515 -2.321 -5.347 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.815 -0.627 -5.677 1.00 1.05 H new ATOM 0 HE2 LYS A 2 19.817 -1.285 -4.669 1.00 1.15 H new ATOM 0 HE3 LYS A 2 18.946 -0.578 -3.323 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 19.987 -2.714 -2.778 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 18.302 -2.762 -2.577 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.015 -3.491 -3.934 1.00 1.40 H new ATOM 46 N LYS A 3 14.102 1.728 -5.690 1.00 0.28 N ATOM 47 CA LYS A 3 14.276 3.170 -5.547 1.00 0.26 C ATOM 48 C LYS A 3 13.201 3.725 -4.611 1.00 0.26 C ATOM 49 O LYS A 3 12.231 3.026 -4.302 1.00 0.29 O ATOM 50 CB LYS A 3 14.171 3.855 -6.914 1.00 0.30 C ATOM 51 CG LYS A 3 15.483 3.929 -7.683 1.00 0.49 C ATOM 52 CD LYS A 3 15.258 4.423 -9.105 1.00 0.55 C ATOM 53 CE LYS A 3 16.517 5.035 -9.709 1.00 0.78 C ATOM 54 NZ LYS A 3 17.609 4.040 -9.883 1.00 1.18 N ATOM 0 H LYS A 3 13.127 1.428 -5.682 1.00 0.28 H new ATOM 0 HA LYS A 3 15.263 3.368 -5.128 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.439 3.321 -7.519 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.790 4.866 -6.772 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.173 4.597 -7.168 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.950 2.945 -7.706 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.925 3.593 -9.728 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.459 5.164 -9.108 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.275 5.476 -10.676 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.867 5.845 -9.068 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.441 4.507 -10.297 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.862 3.637 -8.958 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 17.288 3.280 -10.516 1.00 1.18 H new ATOM 68 N PRO A 4 13.354 4.976 -4.142 1.00 0.28 N ATOM 69 CA PRO A 4 12.378 5.608 -3.248 1.00 0.30 C ATOM 70 C PRO A 4 10.995 5.701 -3.891 1.00 0.27 C ATOM 71 O PRO A 4 10.717 6.620 -4.665 1.00 0.35 O ATOM 72 CB PRO A 4 12.952 7.008 -2.999 1.00 0.35 C ATOM 73 CG PRO A 4 14.396 6.901 -3.346 1.00 0.43 C ATOM 74 CD PRO A 4 14.484 5.874 -4.439 1.00 0.37 C ATOM 0 HA PRO A 4 12.236 5.035 -2.332 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.452 7.755 -3.616 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.817 7.311 -1.961 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.789 7.861 -3.680 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.984 6.600 -2.479 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.391 6.326 -5.426 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.436 5.344 -4.419 1.00 0.37 H new ATOM 82 N LYS A 5 10.146 4.730 -3.581 1.00 0.24 N ATOM 83 CA LYS A 5 8.790 4.684 -4.116 1.00 0.22 C ATOM 84 C LYS A 5 7.817 5.364 -3.150 1.00 0.25 C ATOM 85 O LYS A 5 8.174 5.662 -2.009 1.00 0.48 O ATOM 86 CB LYS A 5 8.385 3.219 -4.351 1.00 0.24 C ATOM 87 CG LYS A 5 7.147 3.036 -5.222 1.00 0.24 C ATOM 88 CD LYS A 5 6.970 1.583 -5.646 1.00 0.34 C ATOM 89 CE LYS A 5 5.695 1.379 -6.455 1.00 0.35 C ATOM 90 NZ LYS A 5 5.669 0.060 -7.143 1.00 0.40 N ATOM 0 H LYS A 5 10.375 3.957 -2.956 1.00 0.24 H new ATOM 0 HA LYS A 5 8.756 5.219 -5.065 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.220 2.694 -4.815 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.207 2.745 -3.386 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.264 3.366 -4.675 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.228 3.667 -6.107 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.830 1.270 -6.238 1.00 0.34 H new ATOM 0 HD3 LYS A 5 6.944 0.947 -4.761 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.831 1.459 -5.795 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.605 2.174 -7.195 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.709 -0.129 -7.495 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.334 0.072 -7.942 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 5.946 -0.686 -6.474 1.00 0.40 H new ATOM 104 N LEU A 6 6.599 5.625 -3.613 1.00 0.22 N ATOM 105 CA LEU A 6 5.581 6.253 -2.780 1.00 0.23 C ATOM 106 C LEU A 6 4.207 5.666 -3.098 1.00 0.22 C ATOM 107 O LEU A 6 4.003 5.112 -4.183 1.00 0.25 O ATOM 108 CB LEU A 6 5.583 7.780 -2.968 1.00 0.27 C ATOM 109 CG LEU A 6 4.603 8.333 -4.011 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.490 9.845 -3.886 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.033 7.948 -5.419 1.00 0.50 C ATOM 0 H LEU A 6 6.293 5.411 -4.562 1.00 0.22 H new ATOM 0 HA LEU A 6 5.812 6.047 -1.735 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.360 8.244 -2.007 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.590 8.090 -3.245 1.00 0.27 H new ATOM 0 HG LEU A 6 3.624 7.893 -3.822 1.00 0.32 H new ATOM 0 HD11 LEU A 6 3.791 10.221 -4.633 1.00 0.45 H new ATOM 0 HD12 LEU A 6 4.129 10.102 -2.890 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.469 10.297 -4.045 1.00 0.45 H new ATOM 0 HD21 LEU A 6 4.322 8.352 -6.140 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.024 8.354 -5.621 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.061 6.862 -5.507 1.00 0.50 H new ATOM 123 N LEU A 7 3.280 5.789 -2.154 1.00 0.24 N ATOM 124 CA LEU A 7 1.927 5.274 -2.322 1.00 0.26 C ATOM 125 C LEU A 7 0.920 6.421 -2.285 1.00 0.22 C ATOM 126 O LEU A 7 0.448 6.811 -1.215 1.00 0.24 O ATOM 127 CB LEU A 7 1.614 4.252 -1.224 1.00 0.32 C ATOM 128 CG LEU A 7 0.183 3.704 -1.223 1.00 0.36 C ATOM 129 CD1 LEU A 7 -0.090 2.912 -2.493 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.055 2.839 0.007 1.00 0.46 C ATOM 0 H LEU A 7 3.444 6.245 -1.257 1.00 0.24 H new ATOM 0 HA LEU A 7 1.854 4.779 -3.290 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.305 3.415 -1.323 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.809 4.713 -0.256 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.507 4.547 -1.191 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -1.111 2.532 -2.472 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.039 3.560 -3.360 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.607 2.076 -2.558 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.076 2.458 -0.008 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.644 2.003 0.005 1.00 0.46 H new ATOM 0 HD23 LEU A 7 0.096 3.436 0.906 1.00 0.46 H new ATOM 142 N TYR A 8 0.600 6.961 -3.451 1.00 0.22 N ATOM 143 CA TYR A 8 -0.334 8.072 -3.549 1.00 0.21 C ATOM 144 C TYR A 8 -1.756 7.569 -3.783 1.00 0.21 C ATOM 145 O TYR A 8 -1.985 6.678 -4.607 1.00 0.29 O ATOM 146 CB TYR A 8 0.086 9.015 -4.683 1.00 0.24 C ATOM 147 CG TYR A 8 -0.431 10.428 -4.531 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.703 10.775 -4.966 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.357 11.414 -3.952 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.177 12.066 -4.826 1.00 0.46 C ATOM 151 CE2 TYR A 8 -0.108 12.706 -3.810 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.374 13.028 -4.247 1.00 0.50 C ATOM 153 OH TYR A 8 -1.842 14.314 -4.100 1.00 0.63 O ATOM 0 H TYR A 8 0.975 6.646 -4.346 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.316 8.618 -2.606 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.174 9.041 -4.736 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.269 8.609 -5.630 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.332 10.024 -5.421 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.350 11.166 -3.607 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.169 12.320 -5.168 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.518 13.461 -3.358 1.00 0.56 H new ATOM 0 HH TYR A 8 -1.205 14.835 -3.568 1.00 0.63 H new ATOM 163 N CYS A 9 -2.703 8.131 -3.045 1.00 0.23 N ATOM 164 CA CYS A 9 -4.103 7.755 -3.177 1.00 0.27 C ATOM 165 C CYS A 9 -4.917 8.945 -3.684 1.00 0.28 C ATOM 166 O CYS A 9 -4.940 10.007 -3.056 1.00 0.30 O ATOM 167 CB CYS A 9 -4.652 7.263 -1.837 1.00 0.30 C ATOM 168 SG CYS A 9 -3.698 5.912 -1.104 1.00 0.37 S ATOM 0 H CYS A 9 -2.526 8.852 -2.346 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.183 6.942 -3.899 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.677 8.098 -1.137 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.682 6.933 -1.977 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.236 5.565 0.027 1.00 0.37 H new ATOM 174 N SER A 10 -5.572 8.774 -4.826 1.00 0.37 N ATOM 175 CA SER A 10 -6.373 9.842 -5.409 1.00 0.42 C ATOM 176 C SER A 10 -7.719 9.964 -4.693 1.00 0.39 C ATOM 177 O SER A 10 -8.749 9.510 -5.198 1.00 0.51 O ATOM 178 CB SER A 10 -6.575 9.599 -6.912 1.00 0.56 C ATOM 179 OG SER A 10 -7.156 10.727 -7.548 1.00 1.23 O ATOM 0 H SER A 10 -5.564 7.908 -5.365 1.00 0.37 H new ATOM 0 HA SER A 10 -5.838 10.783 -5.281 1.00 0.42 H new ATOM 0 HB2 SER A 10 -5.616 9.372 -7.377 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.214 8.728 -7.058 1.00 0.56 H new ATOM 0 HG SER A 10 -7.270 10.541 -8.503 1.00 1.23 H new ATOM 185 N ASN A 11 -7.700 10.557 -3.502 1.00 0.33 N ATOM 186 CA ASN A 11 -8.923 10.746 -2.721 1.00 0.36 C ATOM 187 C ASN A 11 -8.945 12.133 -2.074 1.00 0.35 C ATOM 188 O ASN A 11 -9.437 12.302 -0.957 1.00 0.47 O ATOM 189 CB ASN A 11 -9.054 9.653 -1.655 1.00 0.44 C ATOM 190 CG ASN A 11 -10.493 9.440 -1.211 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.856 9.715 -0.064 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.329 8.948 -2.118 1.00 0.75 N ATOM 0 H ASN A 11 -6.855 10.914 -3.056 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.774 10.672 -3.397 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.657 8.717 -2.048 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.446 9.919 -0.790 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.306 8.786 -1.876 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.994 8.732 -3.057 1.00 0.75 H new ATOM 199 N GLY A 12 -8.409 13.119 -2.789 1.00 0.38 N ATOM 200 CA GLY A 12 -8.375 14.477 -2.284 1.00 0.45 C ATOM 201 C GLY A 12 -7.333 14.662 -1.198 1.00 0.46 C ATOM 202 O GLY A 12 -7.664 14.663 -0.010 1.00 0.87 O ATOM 0 H GLY A 12 -7.996 12.998 -3.714 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -8.166 15.162 -3.105 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -9.357 14.741 -1.891 1.00 0.45 H new ATOM 206 N GLY A 13 -6.078 14.812 -1.606 1.00 0.38 N ATOM 207 CA GLY A 13 -4.996 15.001 -0.656 1.00 0.36 C ATOM 208 C GLY A 13 -3.711 14.331 -1.112 1.00 0.31 C ATOM 209 O GLY A 13 -3.541 14.048 -2.300 1.00 0.40 O ATOM 0 H GLY A 13 -5.789 14.806 -2.584 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.819 16.067 -0.517 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -5.290 14.598 0.313 1.00 0.36 H new ATOM 213 N HIS A 14 -2.805 14.084 -0.173 1.00 0.26 N ATOM 214 CA HIS A 14 -1.529 13.439 -0.475 1.00 0.24 C ATOM 215 C HIS A 14 -1.294 12.294 0.503 1.00 0.22 C ATOM 216 O HIS A 14 -1.749 12.356 1.643 1.00 0.30 O ATOM 217 CB HIS A 14 -0.376 14.447 -0.390 1.00 0.28 C ATOM 218 CG HIS A 14 -0.548 15.641 -1.281 1.00 0.38 C ATOM 219 ND1 HIS A 14 -0.044 15.913 -2.507 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -1.322 16.731 -0.941 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 -0.519 17.145 -2.881 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -1.288 17.615 -1.920 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.930 14.322 0.811 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.566 13.048 -1.492 1.00 0.24 H new ATOM 0 HB2 HIS A 14 -0.278 14.786 0.641 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.555 13.943 -0.650 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.870 16.843 -0.017 1.00 0.53 H new ATOM 0 HE1 HIS A 14 -0.298 17.647 -3.811 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -1.775 18.511 -1.931 1.00 0.66 H new ATOM 231 N PHE A 15 -0.583 11.257 0.070 1.00 0.20 N ATOM 232 CA PHE A 15 -0.322 10.099 0.925 1.00 0.21 C ATOM 233 C PHE A 15 1.080 9.546 0.687 1.00 0.21 C ATOM 234 O PHE A 15 1.494 9.386 -0.464 1.00 0.23 O ATOM 235 CB PHE A 15 -1.356 9.002 0.656 1.00 0.27 C ATOM 236 CG PHE A 15 -2.775 9.420 0.934 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.545 10.015 -0.056 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.338 9.222 2.184 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.848 10.400 0.198 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.640 9.606 2.443 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.396 10.196 1.449 1.00 0.45 C ATOM 0 H PHE A 15 -0.178 11.193 -0.864 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.396 10.424 1.963 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.277 8.689 -0.385 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.117 8.133 1.269 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -3.121 10.179 -1.036 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -2.752 8.762 2.966 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.437 10.860 -0.581 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.066 9.445 3.422 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.414 10.497 1.650 1.00 0.45 H new ATOM 251 N LEU A 16 1.804 9.270 1.776 1.00 0.20 N ATOM 252 CA LEU A 16 3.163 8.720 1.685 1.00 0.22 C ATOM 253 C LEU A 16 3.867 8.713 3.049 1.00 0.23 C ATOM 254 O LEU A 16 5.041 9.071 3.153 1.00 0.33 O ATOM 255 CB LEU A 16 4.005 9.502 0.659 1.00 0.23 C ATOM 256 CG LEU A 16 3.894 11.029 0.726 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.831 11.596 1.782 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.186 11.644 -0.637 1.00 0.45 C ATOM 0 H LEU A 16 1.474 9.418 2.730 1.00 0.20 H new ATOM 0 HA LEU A 16 3.069 7.687 1.350 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.051 9.227 0.792 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.715 9.180 -0.341 1.00 0.23 H new ATOM 0 HG LEU A 16 2.873 11.284 1.009 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.734 12.681 1.810 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.573 11.183 2.757 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.859 11.330 1.536 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.103 12.729 -0.572 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.195 11.375 -0.949 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.469 11.268 -1.367 1.00 0.45 H new ATOM 270 N ARG A 17 3.166 8.283 4.095 1.00 0.24 N ATOM 271 CA ARG A 17 3.762 8.246 5.428 1.00 0.26 C ATOM 272 C ARG A 17 3.211 7.101 6.266 1.00 0.22 C ATOM 273 O ARG A 17 2.016 6.806 6.231 1.00 0.29 O ATOM 274 CB ARG A 17 3.539 9.571 6.158 1.00 0.34 C ATOM 275 CG ARG A 17 4.059 9.577 7.588 1.00 0.47 C ATOM 276 CD ARG A 17 4.026 10.970 8.191 1.00 0.53 C ATOM 277 NE ARG A 17 2.680 11.539 8.192 1.00 0.54 N ATOM 278 CZ ARG A 17 2.417 12.848 8.266 1.00 0.72 C ATOM 279 NH1 ARG A 17 3.411 13.729 8.364 1.00 0.85 N ATOM 280 NH2 ARG A 17 1.159 13.273 8.237 1.00 0.86 N ATOM 0 H ARG A 17 2.200 7.960 4.048 1.00 0.24 H new ATOM 0 HA ARG A 17 4.831 8.083 5.293 1.00 0.26 H new ATOM 0 HB2 ARG A 17 4.027 10.370 5.600 1.00 0.34 H new ATOM 0 HB3 ARG A 17 2.472 9.795 6.168 1.00 0.34 H new ATOM 0 HG2 ARG A 17 3.457 8.902 8.197 1.00 0.47 H new ATOM 0 HG3 ARG A 17 5.080 9.197 7.606 1.00 0.47 H new ATOM 0 HD2 ARG A 17 4.403 10.931 9.213 1.00 0.53 H new ATOM 0 HD3 ARG A 17 4.694 11.623 7.630 1.00 0.53 H new ATOM 0 HE ARG A 17 1.890 10.896 8.132 1.00 0.54 H new ATOM 0 HH11 ARG A 17 4.378 13.406 8.383 1.00 0.85 H new ATOM 0 HH12 ARG A 17 3.205 14.726 8.420 1.00 0.85 H new ATOM 0 HH21 ARG A 17 0.395 12.601 8.158 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.956 14.271 8.293 1.00 0.86 H new ATOM 294 N ILE A 18 4.102 6.462 7.015 1.00 0.21 N ATOM 295 CA ILE A 18 3.736 5.361 7.892 1.00 0.20 C ATOM 296 C ILE A 18 4.166 5.686 9.319 1.00 0.20 C ATOM 297 O ILE A 18 5.326 6.040 9.559 1.00 0.26 O ATOM 298 CB ILE A 18 4.384 4.027 7.444 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.950 2.878 8.361 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.903 4.143 7.417 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.515 2.443 8.153 1.00 0.33 C ATOM 0 H ILE A 18 5.095 6.693 7.030 1.00 0.21 H new ATOM 0 HA ILE A 18 2.654 5.237 7.843 1.00 0.20 H new ATOM 0 HB ILE A 18 4.040 3.809 6.433 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.607 2.024 8.195 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.081 3.184 9.399 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.335 3.194 7.100 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.196 4.927 6.718 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.267 4.392 8.414 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.280 1.627 8.836 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.848 3.283 8.348 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.382 2.105 7.125 1.00 0.33 H new ATOM 313 N LEU A 19 3.233 5.593 10.254 1.00 0.21 N ATOM 314 CA LEU A 19 3.527 5.872 11.650 1.00 0.24 C ATOM 315 C LEU A 19 3.996 4.598 12.346 1.00 0.23 C ATOM 316 O LEU A 19 3.316 3.566 12.278 1.00 0.22 O ATOM 317 CB LEU A 19 2.297 6.441 12.373 1.00 0.30 C ATOM 318 CG LEU A 19 1.848 7.839 11.930 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.024 8.802 11.895 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.162 7.782 10.573 1.00 0.48 C ATOM 0 H LEU A 19 2.266 5.326 10.071 1.00 0.21 H new ATOM 0 HA LEU A 19 4.319 6.620 11.688 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.465 5.751 12.232 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.509 6.470 13.442 1.00 0.30 H new ATOM 0 HG LEU A 19 1.129 8.208 12.661 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.679 9.786 11.578 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.464 8.875 12.889 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.773 8.436 11.193 1.00 0.54 H new ATOM 0 HD21 LEU A 19 0.852 8.785 10.279 1.00 0.48 H new ATOM 0 HD22 LEU A 19 1.855 7.385 9.831 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.287 7.135 10.635 1.00 0.48 H new ATOM 332 N PRO A 20 5.155 4.654 13.032 1.00 0.29 N ATOM 333 CA PRO A 20 5.726 3.503 13.739 1.00 0.33 C ATOM 334 C PRO A 20 4.680 2.762 14.567 1.00 0.30 C ATOM 335 O PRO A 20 4.761 1.543 14.744 1.00 0.36 O ATOM 336 CB PRO A 20 6.803 4.121 14.649 1.00 0.41 C ATOM 337 CG PRO A 20 6.653 5.603 14.517 1.00 0.55 C ATOM 338 CD PRO A 20 5.999 5.844 13.188 1.00 0.38 C ATOM 0 HA PRO A 20 6.124 2.760 13.048 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.668 3.806 15.684 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.800 3.801 14.346 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.046 6.006 15.328 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.623 6.098 14.568 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.411 6.762 13.185 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.731 5.931 12.385 1.00 0.38 H new ATOM 346 N ASP A 21 3.699 3.508 15.074 1.00 0.27 N ATOM 347 CA ASP A 21 2.615 2.933 15.866 1.00 0.30 C ATOM 348 C ASP A 21 1.957 1.777 15.121 1.00 0.29 C ATOM 349 O ASP A 21 1.495 0.817 15.737 1.00 0.41 O ATOM 350 CB ASP A 21 1.559 3.997 16.182 1.00 0.36 C ATOM 351 CG ASP A 21 2.111 5.135 17.013 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.672 6.088 16.428 1.00 0.95 O ATOM 353 OD2 ASP A 21 1.992 5.081 18.253 1.00 0.96 O ATOM 0 H ASP A 21 3.634 4.518 14.949 1.00 0.27 H new ATOM 0 HA ASP A 21 3.042 2.561 16.797 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.158 4.394 15.249 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.729 3.533 16.714 1.00 0.36 H new ATOM 358 N GLY A 22 1.927 1.876 13.794 1.00 0.24 N ATOM 359 CA GLY A 22 1.321 0.845 12.977 1.00 0.27 C ATOM 360 C GLY A 22 0.148 1.370 12.173 1.00 0.27 C ATOM 361 O GLY A 22 -0.939 0.791 12.200 1.00 0.35 O ATOM 0 H GLY A 22 2.316 2.660 13.269 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.069 0.434 12.299 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.985 0.028 13.615 1.00 0.27 H new ATOM 365 N THR A 23 0.355 2.478 11.466 1.00 0.24 N ATOM 366 CA THR A 23 -0.698 3.077 10.652 1.00 0.27 C ATOM 367 C THR A 23 -0.112 3.997 9.580 1.00 0.22 C ATOM 368 O THR A 23 0.920 4.639 9.796 1.00 0.25 O ATOM 369 CB THR A 23 -1.697 3.886 11.516 1.00 0.34 C ATOM 370 OG1 THR A 23 -2.177 3.094 12.623 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.879 4.350 10.676 1.00 0.43 C ATOM 0 H THR A 23 1.243 2.979 11.441 1.00 0.24 H new ATOM 0 HA THR A 23 -1.228 2.254 10.174 1.00 0.27 H new ATOM 0 HB THR A 23 -1.170 4.757 11.905 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.072 2.142 12.414 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.569 4.916 11.301 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.522 4.983 9.864 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.393 3.483 10.261 1.00 0.43 H new ATOM 379 N VAL A 24 -0.768 4.035 8.426 1.00 0.25 N ATOM 380 CA VAL A 24 -0.350 4.883 7.313 1.00 0.24 C ATOM 381 C VAL A 24 -1.305 6.070 7.193 1.00 0.28 C ATOM 382 O VAL A 24 -2.517 5.909 7.381 1.00 0.37 O ATOM 383 CB VAL A 24 -0.318 4.094 5.980 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.675 3.484 5.675 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.138 4.980 4.830 1.00 0.32 C ATOM 0 H VAL A 24 -1.603 3.481 8.234 1.00 0.25 H new ATOM 0 HA VAL A 24 0.661 5.238 7.514 1.00 0.24 H new ATOM 0 HB VAL A 24 0.403 3.284 6.093 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.624 2.936 4.734 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.956 2.802 6.478 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.420 4.276 5.594 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.151 4.400 3.907 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.550 5.819 4.722 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.140 5.357 5.036 1.00 0.32 H new ATOM 395 N ASP A 25 -0.772 7.253 6.893 1.00 0.28 N ATOM 396 CA ASP A 25 -1.604 8.448 6.776 1.00 0.35 C ATOM 397 C ASP A 25 -1.196 9.310 5.580 1.00 0.27 C ATOM 398 O ASP A 25 -0.303 8.947 4.807 1.00 0.26 O ATOM 399 CB ASP A 25 -1.557 9.265 8.080 1.00 0.50 C ATOM 400 CG ASP A 25 -0.373 10.217 8.164 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.780 9.768 8.020 1.00 1.28 O ATOM 402 OD2 ASP A 25 -0.594 11.425 8.401 1.00 1.19 O ATOM 0 H ASP A 25 0.222 7.409 6.728 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.630 8.121 6.604 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -2.480 9.838 8.173 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -1.521 8.579 8.927 1.00 0.50 H new ATOM 407 N GLY A 26 -1.874 10.448 5.430 1.00 0.27 N ATOM 408 CA GLY A 26 -1.602 11.353 4.329 1.00 0.26 C ATOM 409 C GLY A 26 -0.428 12.274 4.596 1.00 0.32 C ATOM 410 O GLY A 26 -0.265 12.784 5.709 1.00 0.72 O ATOM 0 H GLY A 26 -2.614 10.759 6.060 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.403 10.772 3.429 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.490 11.953 4.131 1.00 0.26 H new ATOM 414 N THR A 27 0.388 12.500 3.573 1.00 0.25 N ATOM 415 CA THR A 27 1.561 13.360 3.692 1.00 0.23 C ATOM 416 C THR A 27 2.048 13.792 2.308 1.00 0.23 C ATOM 417 O THR A 27 1.641 13.218 1.294 1.00 0.26 O ATOM 418 CB THR A 27 2.707 12.636 4.432 1.00 0.30 C ATOM 419 OG1 THR A 27 2.178 11.801 5.468 1.00 0.60 O ATOM 420 CG2 THR A 27 3.689 13.629 5.041 1.00 0.65 C ATOM 0 H THR A 27 0.258 12.097 2.645 1.00 0.25 H new ATOM 0 HA THR A 27 1.270 14.239 4.267 1.00 0.23 H new ATOM 0 HB THR A 27 3.237 12.026 3.701 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.437 12.262 5.914 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.483 13.087 5.554 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.121 14.244 4.252 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.166 14.267 5.753 1.00 0.65 H new ATOM 428 N ARG A 28 2.904 14.808 2.268 1.00 0.26 N ATOM 429 CA ARG A 28 3.444 15.303 1.010 1.00 0.29 C ATOM 430 C ARG A 28 4.969 15.367 1.076 1.00 0.29 C ATOM 431 O ARG A 28 5.532 15.938 2.012 1.00 0.39 O ATOM 432 CB ARG A 28 2.861 16.685 0.686 1.00 0.36 C ATOM 433 CG ARG A 28 3.503 17.828 1.462 1.00 0.44 C ATOM 434 CD ARG A 28 2.663 19.092 1.407 1.00 0.57 C ATOM 435 NE ARG A 28 1.525 19.039 2.327 1.00 0.66 N ATOM 436 CZ ARG A 28 1.608 19.273 3.643 1.00 0.85 C ATOM 437 NH1 ARG A 28 2.782 19.539 4.211 1.00 1.04 N ATOM 438 NH2 ARG A 28 0.512 19.232 4.394 1.00 1.12 N ATOM 0 H ARG A 28 3.238 15.304 3.094 1.00 0.26 H new ATOM 0 HA ARG A 28 3.161 14.614 0.214 1.00 0.29 H new ATOM 0 HB2 ARG A 28 2.976 16.875 -0.381 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.791 16.674 0.894 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.641 17.529 2.501 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.493 18.032 1.055 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.287 19.952 1.652 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.300 19.241 0.390 1.00 0.57 H new ATOM 0 HE ARG A 28 0.610 18.809 1.940 1.00 0.66 H new ATOM 0 HH11 ARG A 28 3.629 19.566 3.643 1.00 1.04 H new ATOM 0 HH12 ARG A 28 2.835 19.716 5.214 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -0.391 19.023 3.968 1.00 1.12 H new ATOM 0 HH22 ARG A 28 0.574 19.410 5.396 1.00 1.12 H new ATOM 452 N ASP A 29 5.628 14.771 0.090 1.00 0.27 N ATOM 453 CA ASP A 29 7.090 14.768 0.028 1.00 0.29 C ATOM 454 C ASP A 29 7.549 14.734 -1.429 1.00 0.30 C ATOM 455 O ASP A 29 6.721 14.716 -2.347 1.00 0.37 O ATOM 456 CB ASP A 29 7.666 13.568 0.794 1.00 0.31 C ATOM 457 CG ASP A 29 9.055 13.840 1.359 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.999 14.055 0.566 1.00 0.47 O ATOM 459 OD2 ASP A 29 9.206 13.850 2.598 1.00 0.53 O ATOM 0 H ASP A 29 5.174 14.281 -0.681 1.00 0.27 H new ATOM 0 HA ASP A 29 7.458 15.680 0.497 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.992 13.306 1.609 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.712 12.706 0.129 1.00 0.31 H new ATOM 464 N ARG A 30 8.857 14.717 -1.641 1.00 0.35 N ATOM 465 CA ARG A 30 9.422 14.686 -2.980 1.00 0.39 C ATOM 466 C ARG A 30 9.493 13.246 -3.477 1.00 0.37 C ATOM 467 O ARG A 30 10.573 12.668 -3.594 1.00 0.41 O ATOM 468 CB ARG A 30 10.813 15.339 -2.983 1.00 0.48 C ATOM 469 CG ARG A 30 11.485 15.373 -4.348 1.00 0.53 C ATOM 470 CD ARG A 30 10.660 16.152 -5.361 1.00 0.62 C ATOM 471 NE ARG A 30 11.346 16.260 -6.651 1.00 0.72 N ATOM 472 CZ ARG A 30 10.772 16.694 -7.777 1.00 0.86 C ATOM 473 NH1 ARG A 30 9.495 17.066 -7.787 1.00 1.07 N ATOM 474 NH2 ARG A 30 11.484 16.764 -8.897 1.00 1.02 N ATOM 0 H ARG A 30 9.552 14.724 -0.894 1.00 0.35 H new ATOM 0 HA ARG A 30 8.781 15.253 -3.655 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.724 16.359 -2.609 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.456 14.800 -2.287 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.472 15.826 -4.257 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.634 14.354 -4.706 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.697 15.661 -5.501 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.455 17.150 -4.973 1.00 0.62 H new ATOM 0 HE ARG A 30 12.328 15.986 -6.692 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.944 17.022 -6.930 1.00 1.07 H new ATOM 0 HH12 ARG A 30 9.067 17.396 -8.652 1.00 1.07 H new ATOM 0 HH21 ARG A 30 12.466 16.487 -8.895 1.00 1.02 H new ATOM 0 HH22 ARG A 30 11.049 17.095 -9.758 1.00 1.02 H new ATOM 488 N SER A 31 8.328 12.665 -3.748 1.00 0.44 N ATOM 489 CA SER A 31 8.256 11.286 -4.223 1.00 0.51 C ATOM 490 C SER A 31 8.950 10.364 -3.220 1.00 0.51 C ATOM 491 O SER A 31 9.618 9.402 -3.597 1.00 0.86 O ATOM 492 CB SER A 31 8.915 11.174 -5.610 1.00 0.65 C ATOM 493 OG SER A 31 8.508 12.238 -6.468 1.00 0.74 O ATOM 0 H SER A 31 7.423 13.125 -3.647 1.00 0.44 H new ATOM 0 HA SER A 31 7.212 10.985 -4.313 1.00 0.51 H new ATOM 0 HB2 SER A 31 9.999 11.187 -5.501 1.00 0.65 H new ATOM 0 HB3 SER A 31 8.652 10.218 -6.063 1.00 0.65 H new ATOM 0 HG SER A 31 8.944 12.140 -7.340 1.00 0.74 H new ATOM 499 N ASP A 32 8.779 10.669 -1.935 1.00 0.47 N ATOM 500 CA ASP A 32 9.405 9.900 -0.871 1.00 0.47 C ATOM 501 C ASP A 32 8.364 9.410 0.134 1.00 0.49 C ATOM 502 O ASP A 32 7.167 9.408 -0.158 1.00 1.05 O ATOM 503 CB ASP A 32 10.452 10.766 -0.168 1.00 0.57 C ATOM 504 CG ASP A 32 11.698 9.990 0.198 1.00 0.73 C ATOM 505 OD1 ASP A 32 11.662 9.245 1.201 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.720 10.135 -0.510 1.00 0.83 O ATOM 0 H ASP A 32 8.208 11.449 -1.608 1.00 0.47 H new ATOM 0 HA ASP A 32 9.888 9.025 -1.307 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.724 11.599 -0.817 1.00 0.57 H new ATOM 0 HB3 ASP A 32 10.017 11.194 0.735 1.00 0.57 H new ATOM 511 N GLN A 33 8.822 9.004 1.315 1.00 0.35 N ATOM 512 CA GLN A 33 7.937 8.509 2.360 1.00 0.34 C ATOM 513 C GLN A 33 8.459 8.950 3.734 1.00 0.35 C ATOM 514 O GLN A 33 9.219 9.917 3.827 1.00 0.54 O ATOM 515 CB GLN A 33 7.851 6.979 2.272 1.00 0.45 C ATOM 516 CG GLN A 33 6.426 6.444 2.311 1.00 0.53 C ATOM 517 CD GLN A 33 6.074 5.788 3.634 1.00 0.71 C ATOM 518 OE1 GLN A 33 6.619 6.141 4.683 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.159 4.832 3.598 1.00 0.82 N ATOM 0 H GLN A 33 9.809 9.009 1.571 1.00 0.35 H new ATOM 0 HA GLN A 33 6.938 8.923 2.225 1.00 0.34 H new ATOM 0 HB2 GLN A 33 8.329 6.649 1.349 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.416 6.544 3.096 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.731 7.262 2.122 1.00 0.53 H new ATOM 0 HG3 GLN A 33 6.293 5.721 1.507 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.731 4.569 2.710 1.00 0.82 H new ATOM 0 HE22 GLN A 33 4.882 4.359 4.458 1.00 0.82 H new ATOM 528 N HIS A 34 8.054 8.249 4.801 1.00 0.34 N ATOM 529 CA HIS A 34 8.518 8.566 6.155 1.00 0.39 C ATOM 530 C HIS A 34 10.037 8.741 6.168 1.00 0.37 C ATOM 531 O HIS A 34 10.572 9.553 6.920 1.00 0.50 O ATOM 532 CB HIS A 34 8.111 7.452 7.131 1.00 0.48 C ATOM 533 CG HIS A 34 8.802 7.518 8.461 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.736 6.586 8.872 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.687 8.406 9.476 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.160 6.904 10.083 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.541 8.002 10.469 1.00 0.95 N ATOM 0 H HIS A 34 7.408 7.461 4.752 1.00 0.34 H new ATOM 0 HA HIS A 34 8.053 9.500 6.471 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.034 7.500 7.291 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.323 6.486 6.672 1.00 0.48 H new ATOM 0 HD2 HIS A 34 8.042 9.272 9.499 1.00 0.83 H new ATOM 0 HE1 HIS A 34 10.891 6.356 10.659 1.00 0.99 H new ATOM 0 HE2 HIS A 34 9.676 8.475 11.363 1.00 0.95 H new ATOM 546 N ILE A 35 10.711 7.961 5.325 1.00 0.31 N ATOM 547 CA ILE A 35 12.165 8.001 5.201 1.00 0.34 C ATOM 548 C ILE A 35 12.590 7.507 3.814 1.00 0.33 C ATOM 549 O ILE A 35 13.483 8.076 3.190 1.00 0.40 O ATOM 550 CB ILE A 35 12.862 7.151 6.291 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.793 7.862 7.647 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.312 6.872 5.912 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.531 7.145 8.759 1.00 0.51 C ATOM 0 H ILE A 35 10.263 7.283 4.708 1.00 0.31 H new ATOM 0 HA ILE A 35 12.475 9.038 5.335 1.00 0.34 H new ATOM 0 HB ILE A 35 12.339 6.198 6.369 1.00 0.39 H new ATOM 0 HG12 ILE A 35 13.205 8.866 7.540 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.747 7.975 7.933 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.783 6.273 6.692 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.343 6.328 4.968 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.848 7.815 5.805 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.434 7.712 9.685 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.105 6.151 8.896 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.585 7.055 8.497 1.00 0.51 H new ATOM 565 N GLN A 36 11.956 6.425 3.356 1.00 0.29 N ATOM 566 CA GLN A 36 12.242 5.843 2.047 1.00 0.30 C ATOM 567 C GLN A 36 11.384 4.596 1.846 1.00 0.30 C ATOM 568 O GLN A 36 11.475 3.654 2.631 1.00 0.64 O ATOM 569 CB GLN A 36 13.729 5.483 1.940 1.00 0.37 C ATOM 570 CG GLN A 36 14.100 4.758 0.660 1.00 0.40 C ATOM 571 CD GLN A 36 15.553 4.334 0.646 1.00 0.47 C ATOM 572 OE1 GLN A 36 15.835 3.182 1.229 1.00 0.76 O flip ATOM 573 NE2 GLN A 36 16.416 5.041 0.131 1.00 0.61 N flip ATOM 0 H GLN A 36 11.234 5.931 3.881 1.00 0.29 H new ATOM 0 HA GLN A 36 12.006 6.572 1.272 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.319 6.397 2.012 1.00 0.37 H new ATOM 0 HB3 GLN A 36 14.003 4.859 2.791 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.465 3.879 0.545 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.904 5.407 -0.194 1.00 0.40 H new ATOM 0 HE21 GLN A 36 16.156 5.924 -0.309 1.00 0.61 H new ATOM 0 HE22 GLN A 36 17.392 4.745 0.144 1.00 0.61 H new ATOM 582 N LEU A 37 10.540 4.593 0.824 1.00 0.27 N ATOM 583 CA LEU A 37 9.679 3.445 0.564 1.00 0.25 C ATOM 584 C LEU A 37 10.289 2.548 -0.505 1.00 0.22 C ATOM 585 O LEU A 37 10.468 2.967 -1.651 1.00 0.26 O ATOM 586 CB LEU A 37 8.284 3.900 0.127 1.00 0.33 C ATOM 587 CG LEU A 37 7.118 3.117 0.739 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.794 3.607 0.172 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.281 1.623 0.490 1.00 0.53 C ATOM 0 H LEU A 37 10.432 5.365 0.166 1.00 0.27 H new ATOM 0 HA LEU A 37 9.588 2.878 1.490 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.167 4.953 0.383 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.219 3.826 -0.959 1.00 0.33 H new ATOM 0 HG LEU A 37 7.121 3.287 1.816 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.976 3.041 0.617 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.669 4.665 0.401 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.787 3.467 -0.909 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.442 1.087 0.933 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.307 1.434 -0.583 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.211 1.278 0.942 1.00 0.53 H new ATOM 601 N GLN A 38 10.623 1.322 -0.119 1.00 0.23 N ATOM 602 CA GLN A 38 11.202 0.357 -1.041 1.00 0.27 C ATOM 603 C GLN A 38 10.180 -0.718 -1.388 1.00 0.24 C ATOM 604 O GLN A 38 9.776 -1.501 -0.525 1.00 0.32 O ATOM 605 CB GLN A 38 12.448 -0.288 -0.429 1.00 0.38 C ATOM 606 CG GLN A 38 13.730 0.485 -0.691 1.00 0.51 C ATOM 607 CD GLN A 38 14.631 0.547 0.529 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.165 0.739 1.653 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.928 0.386 0.322 1.00 0.75 N ATOM 0 H GLN A 38 10.501 0.973 0.832 1.00 0.23 H new ATOM 0 HA GLN A 38 11.490 0.881 -1.952 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.305 -0.383 0.647 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.556 -1.297 -0.826 1.00 0.38 H new ATOM 0 HG2 GLN A 38 14.270 0.018 -1.514 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.481 1.498 -1.007 1.00 0.51 H new ATOM 0 HE21 GLN A 38 16.278 0.229 -0.623 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.578 0.419 1.108 1.00 0.75 H new ATOM 618 N LEU A 39 9.750 -0.736 -2.640 1.00 0.24 N ATOM 619 CA LEU A 39 8.777 -1.717 -3.105 1.00 0.24 C ATOM 620 C LEU A 39 9.291 -2.379 -4.375 1.00 0.26 C ATOM 621 O LEU A 39 9.205 -1.797 -5.460 1.00 0.34 O ATOM 622 CB LEU A 39 7.423 -1.046 -3.363 1.00 0.26 C ATOM 623 CG LEU A 39 6.228 -1.996 -3.503 1.00 0.34 C ATOM 624 CD1 LEU A 39 4.931 -1.209 -3.588 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.386 -2.888 -4.727 1.00 0.41 C ATOM 0 H LEU A 39 10.060 -0.080 -3.357 1.00 0.24 H new ATOM 0 HA LEU A 39 8.640 -2.477 -2.336 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.220 -0.353 -2.546 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.500 -0.452 -4.273 1.00 0.26 H new ATOM 0 HG LEU A 39 6.194 -2.632 -2.618 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.093 -1.899 -3.687 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.806 -0.614 -2.683 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.962 -0.549 -4.455 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.526 -3.553 -4.806 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.449 -2.269 -5.622 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.296 -3.481 -4.630 1.00 0.41 H new ATOM 637 N SER A 40 9.847 -3.579 -4.234 1.00 0.25 N ATOM 638 CA SER A 40 10.397 -4.311 -5.372 1.00 0.28 C ATOM 639 C SER A 40 11.077 -5.606 -4.922 1.00 0.29 C ATOM 640 O SER A 40 10.961 -6.000 -3.761 1.00 0.38 O ATOM 641 CB SER A 40 11.396 -3.425 -6.124 1.00 0.36 C ATOM 642 OG SER A 40 10.756 -2.732 -7.182 1.00 0.55 O ATOM 0 H SER A 40 9.929 -4.066 -3.342 1.00 0.25 H new ATOM 0 HA SER A 40 9.575 -4.577 -6.037 1.00 0.28 H new ATOM 0 HB2 SER A 40 11.846 -2.710 -5.435 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.205 -4.038 -6.521 1.00 0.36 H new ATOM 0 HG SER A 40 9.930 -2.321 -6.851 1.00 0.55 H new ATOM 648 N ALA A 41 11.766 -6.268 -5.857 1.00 0.33 N ATOM 649 CA ALA A 41 12.484 -7.512 -5.573 1.00 0.37 C ATOM 650 C ALA A 41 11.526 -8.669 -5.289 1.00 0.36 C ATOM 651 O ALA A 41 11.295 -9.037 -4.135 1.00 0.76 O ATOM 652 CB ALA A 41 13.466 -7.320 -4.420 1.00 0.46 C ATOM 0 H ALA A 41 11.841 -5.958 -6.826 1.00 0.33 H new ATOM 0 HA ALA A 41 13.051 -7.773 -6.467 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.988 -8.257 -4.227 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.190 -6.549 -4.683 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.922 -7.017 -3.525 1.00 0.46 H new ATOM 658 N GLU A 42 10.965 -9.224 -6.360 1.00 0.35 N ATOM 659 CA GLU A 42 10.042 -10.352 -6.273 1.00 0.30 C ATOM 660 C GLU A 42 9.632 -10.804 -7.672 1.00 0.33 C ATOM 661 O GLU A 42 9.899 -10.108 -8.658 1.00 0.51 O ATOM 662 CB GLU A 42 8.798 -10.002 -5.450 1.00 0.32 C ATOM 663 CG GLU A 42 8.786 -10.619 -4.058 1.00 0.54 C ATOM 664 CD GLU A 42 9.355 -12.026 -4.036 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.870 -12.885 -4.801 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.297 -12.275 -3.255 1.00 1.05 O ATOM 0 H GLU A 42 11.138 -8.904 -7.313 1.00 0.35 H new ATOM 0 HA GLU A 42 10.560 -11.166 -5.766 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.729 -8.918 -5.357 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.911 -10.333 -5.991 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.361 -9.988 -3.380 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.763 -10.639 -3.683 1.00 0.54 H new ATOM 673 N SER A 43 8.983 -11.957 -7.751 1.00 0.31 N ATOM 674 CA SER A 43 8.549 -12.512 -9.028 1.00 0.38 C ATOM 675 C SER A 43 7.464 -11.645 -9.672 1.00 0.34 C ATOM 676 O SER A 43 6.586 -11.130 -8.978 1.00 0.61 O ATOM 677 CB SER A 43 8.038 -13.941 -8.829 1.00 0.52 C ATOM 678 OG SER A 43 7.897 -14.248 -7.449 1.00 1.04 O ATOM 0 H SER A 43 8.744 -12.530 -6.942 1.00 0.31 H new ATOM 0 HA SER A 43 9.406 -12.527 -9.701 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.078 -14.060 -9.331 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.729 -14.645 -9.292 1.00 0.52 H new ATOM 0 HG SER A 43 7.011 -14.634 -7.289 1.00 1.04 H new ATOM 684 N VAL A 44 7.532 -11.501 -11.001 1.00 0.39 N ATOM 685 CA VAL A 44 6.569 -10.697 -11.763 1.00 0.39 C ATOM 686 C VAL A 44 5.171 -10.759 -11.151 1.00 0.36 C ATOM 687 O VAL A 44 4.596 -11.839 -10.994 1.00 0.59 O ATOM 688 CB VAL A 44 6.502 -11.148 -13.245 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.222 -12.643 -13.352 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.457 -10.345 -14.014 1.00 0.58 C ATOM 0 H VAL A 44 8.253 -11.937 -11.576 1.00 0.39 H new ATOM 0 HA VAL A 44 6.923 -9.667 -11.721 1.00 0.39 H new ATOM 0 HB VAL A 44 7.476 -10.955 -13.695 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.180 -12.931 -14.402 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.017 -13.199 -12.855 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.268 -12.870 -12.876 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.430 -10.681 -15.051 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.477 -10.493 -13.559 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.716 -9.287 -13.982 1.00 0.58 H new ATOM 700 N GLY A 45 4.642 -9.595 -10.792 1.00 0.32 N ATOM 701 CA GLY A 45 3.320 -9.528 -10.199 1.00 0.33 C ATOM 702 C GLY A 45 3.379 -9.425 -8.689 1.00 0.28 C ATOM 703 O GLY A 45 2.676 -8.611 -8.085 1.00 0.33 O ATOM 0 H GLY A 45 5.107 -8.694 -10.902 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.786 -8.667 -10.600 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.752 -10.415 -10.480 1.00 0.33 H new ATOM 707 N GLU A 46 4.230 -10.237 -8.080 1.00 0.27 N ATOM 708 CA GLU A 46 4.387 -10.242 -6.636 1.00 0.28 C ATOM 709 C GLU A 46 5.435 -9.213 -6.238 1.00 0.24 C ATOM 710 O GLU A 46 6.436 -9.040 -6.934 1.00 0.31 O ATOM 711 CB GLU A 46 4.796 -11.634 -6.149 1.00 0.39 C ATOM 712 CG GLU A 46 3.905 -12.745 -6.685 1.00 0.51 C ATOM 713 CD GLU A 46 4.372 -14.120 -6.270 1.00 0.64 C ATOM 714 OE1 GLU A 46 5.503 -14.505 -6.629 1.00 0.86 O ATOM 715 OE2 GLU A 46 3.610 -14.828 -5.584 1.00 0.82 O ATOM 0 H GLU A 46 4.826 -10.905 -8.569 1.00 0.27 H new ATOM 0 HA GLU A 46 3.436 -9.984 -6.171 1.00 0.28 H new ATOM 0 HB2 GLU A 46 5.826 -11.828 -6.448 1.00 0.39 H new ATOM 0 HB3 GLU A 46 4.772 -11.652 -5.059 1.00 0.39 H new ATOM 0 HG2 GLU A 46 2.886 -12.590 -6.331 1.00 0.51 H new ATOM 0 HG3 GLU A 46 3.876 -12.689 -7.773 1.00 0.51 H new ATOM 722 N VAL A 47 5.207 -8.523 -5.130 1.00 0.22 N ATOM 723 CA VAL A 47 6.142 -7.504 -4.678 1.00 0.25 C ATOM 724 C VAL A 47 6.254 -7.452 -3.158 1.00 0.23 C ATOM 725 O VAL A 47 5.378 -7.930 -2.430 1.00 0.29 O ATOM 726 CB VAL A 47 5.741 -6.108 -5.191 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.894 -6.027 -6.704 1.00 0.35 C ATOM 728 CG2 VAL A 47 4.317 -5.772 -4.773 1.00 0.35 C ATOM 0 H VAL A 47 4.390 -8.648 -4.532 1.00 0.22 H new ATOM 0 HA VAL A 47 7.111 -7.784 -5.090 1.00 0.25 H new ATOM 0 HB VAL A 47 6.409 -5.373 -4.743 1.00 0.32 H new ATOM 0 HG11 VAL A 47 5.606 -5.033 -7.046 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.932 -6.217 -6.975 1.00 0.35 H new ATOM 0 HG13 VAL A 47 5.254 -6.773 -7.175 1.00 0.35 H new ATOM 0 HG21 VAL A 47 4.053 -4.782 -5.145 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.632 -6.511 -5.189 1.00 0.35 H new ATOM 0 HG23 VAL A 47 4.245 -5.782 -3.685 1.00 0.35 H new ATOM 738 N TYR A 48 7.350 -6.865 -2.700 1.00 0.22 N ATOM 739 CA TYR A 48 7.623 -6.703 -1.281 1.00 0.22 C ATOM 740 C TYR A 48 7.622 -5.216 -0.946 1.00 0.22 C ATOM 741 O TYR A 48 8.185 -4.413 -1.696 1.00 0.29 O ATOM 742 CB TYR A 48 8.976 -7.333 -0.940 1.00 0.25 C ATOM 743 CG TYR A 48 9.282 -7.393 0.540 1.00 0.35 C ATOM 744 CD1 TYR A 48 8.916 -8.497 1.298 1.00 0.49 C ATOM 745 CD2 TYR A 48 9.947 -6.352 1.171 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.204 -8.560 2.646 1.00 0.66 C ATOM 747 CE2 TYR A 48 10.237 -6.406 2.520 1.00 0.74 C ATOM 748 CZ TYR A 48 9.864 -7.512 3.252 1.00 0.72 C ATOM 749 OH TYR A 48 10.158 -7.569 4.596 1.00 0.92 O ATOM 0 H TYR A 48 8.078 -6.486 -3.306 1.00 0.22 H new ATOM 0 HA TYR A 48 6.855 -7.203 -0.692 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.005 -8.344 -1.346 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.763 -6.767 -1.439 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.398 -9.319 0.826 1.00 0.49 H new ATOM 0 HD2 TYR A 48 10.243 -5.485 0.598 1.00 0.58 H new ATOM 0 HE1 TYR A 48 8.914 -9.425 3.223 1.00 0.66 H new ATOM 0 HE2 TYR A 48 10.753 -5.587 2.998 1.00 0.74 H new ATOM 0 HH TYR A 48 9.406 -7.971 5.079 1.00 0.92 H new ATOM 759 N ILE A 49 6.996 -4.849 0.168 1.00 0.21 N ATOM 760 CA ILE A 49 6.911 -3.447 0.566 1.00 0.22 C ATOM 761 C ILE A 49 7.745 -3.158 1.812 1.00 0.23 C ATOM 762 O ILE A 49 7.420 -3.609 2.910 1.00 0.37 O ATOM 763 CB ILE A 49 5.451 -3.016 0.829 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.552 -3.423 -0.341 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.378 -1.510 1.057 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.080 -3.171 -0.090 1.00 0.38 C ATOM 0 H ILE A 49 6.542 -5.499 0.809 1.00 0.21 H new ATOM 0 HA ILE A 49 7.310 -2.871 -0.269 1.00 0.22 H new ATOM 0 HB ILE A 49 5.097 -3.522 1.727 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.859 -2.875 -1.232 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.700 -4.482 -0.551 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.344 -1.220 1.241 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.989 -1.242 1.919 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.749 -0.990 0.174 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.504 -3.483 -0.961 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.757 -3.740 0.782 1.00 0.38 H new ATOM 0 HD13 ILE A 49 2.918 -2.108 0.090 1.00 0.38 H new ATOM 778 N LYS A 50 8.820 -2.400 1.635 1.00 0.21 N ATOM 779 CA LYS A 50 9.688 -2.031 2.744 1.00 0.25 C ATOM 780 C LYS A 50 9.655 -0.518 2.961 1.00 0.21 C ATOM 781 O LYS A 50 10.320 0.239 2.247 1.00 0.26 O ATOM 782 CB LYS A 50 11.126 -2.503 2.498 1.00 0.34 C ATOM 783 CG LYS A 50 12.003 -2.431 3.741 1.00 0.49 C ATOM 784 CD LYS A 50 13.356 -3.093 3.519 1.00 0.73 C ATOM 785 CE LYS A 50 14.307 -2.194 2.743 1.00 1.35 C ATOM 786 NZ LYS A 50 14.680 -0.973 3.508 1.00 1.74 N ATOM 0 H LYS A 50 9.111 -2.028 0.731 1.00 0.21 H new ATOM 0 HA LYS A 50 9.319 -2.525 3.643 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.107 -3.530 2.134 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.572 -1.894 1.711 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.151 -1.388 4.022 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.494 -2.916 4.574 1.00 0.49 H new ATOM 0 HD2 LYS A 50 13.799 -3.345 4.482 1.00 0.73 H new ATOM 0 HD3 LYS A 50 13.218 -4.029 2.977 1.00 0.73 H new ATOM 0 HE2 LYS A 50 15.209 -2.753 2.493 1.00 1.35 H new ATOM 0 HE3 LYS A 50 13.841 -1.902 1.802 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 14.254 -0.138 3.058 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 14.332 -1.055 4.485 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 15.715 -0.871 3.517 1.00 1.74 H new ATOM 800 N SER A 51 8.857 -0.082 3.928 1.00 0.24 N ATOM 801 CA SER A 51 8.741 1.333 4.247 1.00 0.25 C ATOM 802 C SER A 51 9.865 1.742 5.193 1.00 0.25 C ATOM 803 O SER A 51 9.995 1.185 6.281 1.00 0.33 O ATOM 804 CB SER A 51 7.374 1.629 4.874 1.00 0.32 C ATOM 805 OG SER A 51 6.315 1.315 3.979 1.00 0.53 O ATOM 0 H SER A 51 8.279 -0.692 4.506 1.00 0.24 H new ATOM 0 HA SER A 51 8.826 1.913 3.328 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.260 1.052 5.792 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.319 2.682 5.150 1.00 0.32 H new ATOM 0 HG SER A 51 5.553 1.906 4.154 1.00 0.53 H new ATOM 811 N THR A 52 10.675 2.706 4.762 1.00 0.24 N ATOM 812 CA THR A 52 11.808 3.193 5.542 1.00 0.28 C ATOM 813 C THR A 52 12.990 2.235 5.387 1.00 0.28 C ATOM 814 O THR A 52 12.837 1.021 5.535 1.00 0.34 O ATOM 815 CB THR A 52 11.458 3.370 7.043 1.00 0.32 C ATOM 816 OG1 THR A 52 10.310 4.229 7.189 1.00 0.35 O ATOM 817 CG2 THR A 52 12.634 3.957 7.812 1.00 0.38 C ATOM 0 H THR A 52 10.564 3.171 3.861 1.00 0.24 H new ATOM 0 HA THR A 52 12.075 4.177 5.156 1.00 0.28 H new ATOM 0 HB THR A 52 11.230 2.386 7.453 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.494 4.908 7.872 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.362 4.071 8.861 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.492 3.290 7.730 1.00 0.38 H new ATOM 0 HG23 THR A 52 12.891 4.931 7.396 1.00 0.38 H new ATOM 825 N GLU A 53 14.162 2.777 5.058 1.00 0.31 N ATOM 826 CA GLU A 53 15.355 1.953 4.878 1.00 0.35 C ATOM 827 C GLU A 53 15.514 0.988 6.050 1.00 0.31 C ATOM 828 O GLU A 53 15.625 -0.228 5.858 1.00 0.37 O ATOM 829 CB GLU A 53 16.605 2.828 4.735 1.00 0.43 C ATOM 830 CG GLU A 53 17.838 2.048 4.308 1.00 0.47 C ATOM 831 CD GLU A 53 17.637 1.321 2.993 1.00 0.57 C ATOM 832 OE1 GLU A 53 17.027 0.230 2.994 1.00 0.74 O ATOM 833 OE2 GLU A 53 18.087 1.834 1.947 1.00 0.73 O ATOM 0 H GLU A 53 14.310 3.776 4.912 1.00 0.31 H new ATOM 0 HA GLU A 53 15.236 1.375 3.961 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.409 3.613 4.005 1.00 0.43 H new ATOM 0 HB3 GLU A 53 16.806 3.321 5.686 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.683 2.731 4.217 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.094 1.326 5.083 1.00 0.47 H new ATOM 840 N THR A 54 15.506 1.538 7.255 1.00 0.28 N ATOM 841 CA THR A 54 15.629 0.750 8.471 1.00 0.31 C ATOM 842 C THR A 54 14.796 1.377 9.588 1.00 0.33 C ATOM 843 O THR A 54 14.796 2.600 9.758 1.00 0.52 O ATOM 844 CB THR A 54 17.104 0.630 8.917 1.00 0.40 C ATOM 845 OG1 THR A 54 17.885 1.686 8.333 1.00 0.63 O ATOM 846 CG2 THR A 54 17.687 -0.716 8.511 1.00 0.68 C ATOM 0 H THR A 54 15.414 2.541 7.417 1.00 0.28 H new ATOM 0 HA THR A 54 15.257 -0.253 8.261 1.00 0.31 H new ATOM 0 HB THR A 54 17.136 0.711 10.003 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.817 1.602 8.623 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.726 -0.776 8.836 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.114 -1.517 8.978 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.640 -0.821 7.427 1.00 0.68 H new ATOM 854 N GLY A 55 14.067 0.546 10.324 1.00 0.39 N ATOM 855 CA GLY A 55 13.240 1.043 11.412 1.00 0.44 C ATOM 856 C GLY A 55 11.759 0.745 11.229 1.00 0.42 C ATOM 857 O GLY A 55 10.971 0.924 12.162 1.00 0.76 O ATOM 0 H GLY A 55 14.033 -0.464 10.188 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.579 0.600 12.348 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.378 2.121 11.501 1.00 0.44 H new ATOM 861 N GLN A 56 11.367 0.297 10.037 1.00 0.34 N ATOM 862 CA GLN A 56 9.968 -0.014 9.763 1.00 0.30 C ATOM 863 C GLN A 56 9.849 -1.264 8.894 1.00 0.27 C ATOM 864 O GLN A 56 10.798 -1.645 8.204 1.00 0.38 O ATOM 865 CB GLN A 56 9.277 1.174 9.087 1.00 0.37 C ATOM 866 CG GLN A 56 8.920 2.302 10.044 1.00 0.49 C ATOM 867 CD GLN A 56 7.896 1.885 11.083 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.693 2.021 10.875 1.00 1.02 O ATOM 869 NE2 GLN A 56 8.367 1.369 12.209 1.00 0.89 N ATOM 0 H GLN A 56 11.997 0.142 9.250 1.00 0.34 H new ATOM 0 HA GLN A 56 9.472 -0.211 10.713 1.00 0.30 H new ATOM 0 HB2 GLN A 56 9.929 1.565 8.306 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.368 0.824 8.598 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.824 2.646 10.548 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.531 3.147 9.475 1.00 0.49 H new ATOM 0 HE21 GLN A 56 9.373 1.272 12.344 1.00 0.89 H new ATOM 0 HE22 GLN A 56 7.723 1.068 12.941 1.00 0.89 H new ATOM 878 N TYR A 57 8.684 -1.897 8.948 1.00 0.24 N ATOM 879 CA TYR A 57 8.409 -3.110 8.187 1.00 0.23 C ATOM 880 C TYR A 57 6.941 -3.123 7.766 1.00 0.25 C ATOM 881 O TYR A 57 6.057 -3.343 8.594 1.00 0.42 O ATOM 882 CB TYR A 57 8.729 -4.334 9.051 1.00 0.26 C ATOM 883 CG TYR A 57 8.672 -5.664 8.332 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.464 -6.207 7.915 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.832 -6.387 8.086 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.413 -7.429 7.272 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.789 -7.611 7.447 1.00 0.73 C ATOM 888 CZ TYR A 57 8.579 -8.128 7.041 1.00 0.79 C ATOM 889 OH TYR A 57 8.536 -9.350 6.402 1.00 1.03 O ATOM 0 H TYR A 57 7.901 -1.583 9.522 1.00 0.24 H new ATOM 0 HA TYR A 57 9.031 -3.137 7.293 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.726 -4.210 9.473 1.00 0.26 H new ATOM 0 HB3 TYR A 57 8.030 -4.361 9.887 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.548 -5.665 8.096 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.784 -5.985 8.400 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.465 -7.835 6.952 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.701 -8.160 7.267 1.00 0.73 H new ATOM 0 HH TYR A 57 9.445 -9.707 6.318 1.00 1.03 H new ATOM 899 N LEU A 58 6.680 -2.873 6.486 1.00 0.20 N ATOM 900 CA LEU A 58 5.310 -2.846 5.984 1.00 0.22 C ATOM 901 C LEU A 58 4.692 -4.240 6.041 1.00 0.23 C ATOM 902 O LEU A 58 5.128 -5.156 5.338 1.00 0.30 O ATOM 903 CB LEU A 58 5.267 -2.300 4.549 1.00 0.27 C ATOM 904 CG LEU A 58 3.932 -1.676 4.120 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.824 -2.721 4.097 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.563 -0.522 5.042 1.00 0.38 C ATOM 0 H LEU A 58 7.394 -2.687 5.782 1.00 0.20 H new ATOM 0 HA LEU A 58 4.727 -2.181 6.621 1.00 0.22 H new ATOM 0 HB2 LEU A 58 6.050 -1.550 4.440 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.506 -3.112 3.862 1.00 0.27 H new ATOM 0 HG LEU A 58 4.048 -1.287 3.108 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.889 -2.253 3.790 1.00 0.39 H new ATOM 0 HD12 LEU A 58 3.083 -3.511 3.392 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.706 -3.148 5.093 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.614 -0.091 4.724 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.470 -0.888 6.064 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.340 0.241 4.999 1.00 0.38 H new ATOM 918 N ALA A 59 3.681 -4.393 6.882 1.00 0.23 N ATOM 919 CA ALA A 59 3.000 -5.664 7.045 1.00 0.27 C ATOM 920 C ALA A 59 1.492 -5.464 7.057 1.00 0.24 C ATOM 921 O ALA A 59 0.994 -4.412 7.475 1.00 0.26 O ATOM 922 CB ALA A 59 3.462 -6.350 8.320 1.00 0.35 C ATOM 0 H ALA A 59 3.312 -3.643 7.467 1.00 0.23 H new ATOM 0 HA ALA A 59 3.251 -6.304 6.199 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.943 -7.302 8.429 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.536 -6.526 8.270 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.238 -5.714 9.177 1.00 0.35 H new ATOM 928 N MET A 60 0.767 -6.471 6.598 1.00 0.28 N ATOM 929 CA MET A 60 -0.686 -6.405 6.547 1.00 0.30 C ATOM 930 C MET A 60 -1.307 -7.147 7.726 1.00 0.26 C ATOM 931 O MET A 60 -0.682 -8.034 8.313 1.00 0.44 O ATOM 932 CB MET A 60 -1.205 -6.996 5.228 1.00 0.40 C ATOM 933 CG MET A 60 -1.222 -8.518 5.199 1.00 0.73 C ATOM 934 SD MET A 60 -1.841 -9.180 3.637 1.00 0.93 S ATOM 935 CE MET A 60 -0.343 -9.191 2.655 1.00 1.97 C ATOM 0 H MET A 60 1.161 -7.347 6.254 1.00 0.28 H new ATOM 0 HA MET A 60 -0.976 -5.356 6.605 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.215 -6.628 5.049 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.583 -6.634 4.409 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.213 -8.892 5.372 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.843 -8.886 6.016 1.00 0.73 H new ATOM 0 HE1 MET A 60 -0.590 -8.994 1.612 1.00 1.97 H new ATOM 0 HE2 MET A 60 0.336 -8.420 3.018 1.00 1.97 H new ATOM 0 HE3 MET A 60 0.138 -10.166 2.736 1.00 1.97 H new ATOM 945 N ASP A 61 -2.521 -6.748 8.088 1.00 0.30 N ATOM 946 CA ASP A 61 -3.261 -7.395 9.166 1.00 0.31 C ATOM 947 C ASP A 61 -4.210 -8.424 8.560 1.00 0.29 C ATOM 948 O ASP A 61 -4.881 -8.138 7.563 1.00 0.34 O ATOM 949 CB ASP A 61 -4.028 -6.350 9.998 1.00 0.42 C ATOM 950 CG ASP A 61 -5.397 -6.825 10.458 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.474 -7.840 11.185 1.00 0.94 O ATOM 952 OD2 ASP A 61 -6.400 -6.187 10.083 1.00 0.96 O ATOM 0 H ASP A 61 -3.017 -5.973 7.647 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.569 -7.900 9.839 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.432 -6.085 10.871 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.147 -5.443 9.406 1.00 0.42 H new ATOM 957 N THR A 62 -4.245 -9.617 9.131 1.00 0.37 N ATOM 958 CA THR A 62 -5.095 -10.687 8.620 1.00 0.44 C ATOM 959 C THR A 62 -6.541 -10.220 8.411 1.00 0.41 C ATOM 960 O THR A 62 -7.199 -10.635 7.455 1.00 0.50 O ATOM 961 CB THR A 62 -5.079 -11.923 9.554 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.626 -13.067 8.878 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.863 -11.654 10.836 1.00 0.74 C ATOM 0 H THR A 62 -3.694 -9.872 9.951 1.00 0.37 H new ATOM 0 HA THR A 62 -4.681 -10.971 7.653 1.00 0.44 H new ATOM 0 HB THR A 62 -4.042 -12.127 9.822 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.609 -13.841 9.479 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.835 -12.539 11.472 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.417 -10.812 11.365 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.898 -11.419 10.587 1.00 0.74 H new ATOM 971 N ASP A 63 -7.027 -9.349 9.295 1.00 0.36 N ATOM 972 CA ASP A 63 -8.399 -8.858 9.200 1.00 0.41 C ATOM 973 C ASP A 63 -8.579 -7.917 8.006 1.00 0.40 C ATOM 974 O ASP A 63 -9.231 -8.277 7.025 1.00 0.65 O ATOM 975 CB ASP A 63 -8.813 -8.156 10.496 1.00 0.47 C ATOM 976 CG ASP A 63 -10.183 -7.517 10.398 1.00 0.62 C ATOM 977 OD1 ASP A 63 -10.270 -6.344 9.984 1.00 0.75 O ATOM 978 OD2 ASP A 63 -11.180 -8.182 10.746 1.00 0.82 O ATOM 0 H ASP A 63 -6.495 -8.972 10.079 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.045 -9.722 9.046 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.810 -8.877 11.313 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.076 -7.392 10.743 1.00 0.47 H new ATOM 983 N GLY A 64 -7.993 -6.724 8.078 1.00 0.45 N ATOM 984 CA GLY A 64 -8.131 -5.771 6.989 1.00 0.50 C ATOM 985 C GLY A 64 -7.403 -4.457 7.230 1.00 0.43 C ATOM 986 O GLY A 64 -7.902 -3.397 6.849 1.00 0.64 O ATOM 0 H GLY A 64 -7.429 -6.402 8.865 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.752 -6.223 6.072 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -9.190 -5.566 6.830 1.00 0.50 H new ATOM 990 N LEU A 65 -6.220 -4.523 7.832 1.00 0.40 N ATOM 991 CA LEU A 65 -5.435 -3.324 8.126 1.00 0.34 C ATOM 992 C LEU A 65 -4.016 -3.450 7.566 1.00 0.33 C ATOM 993 O LEU A 65 -3.578 -4.545 7.187 1.00 0.60 O ATOM 994 CB LEU A 65 -5.387 -3.098 9.645 1.00 0.37 C ATOM 995 CG LEU A 65 -5.737 -1.683 10.134 1.00 0.71 C ATOM 996 CD1 LEU A 65 -4.551 -0.743 9.978 1.00 1.23 C ATOM 997 CD2 LEU A 65 -6.949 -1.139 9.391 1.00 1.16 C ATOM 0 H LEU A 65 -5.781 -5.395 8.127 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.913 -2.469 7.648 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.071 -3.802 10.118 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.385 -3.343 9.996 1.00 0.37 H new ATOM 0 HG LEU A 65 -5.983 -1.747 11.194 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -4.826 0.251 10.331 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -3.711 -1.117 10.563 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.266 -0.689 8.927 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.178 -0.137 9.753 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -6.733 -1.098 8.323 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -7.805 -1.792 9.563 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.319 -2.320 7.490 1.00 0.37 N ATOM 1010 CA LEU A 66 -1.946 -2.266 7.001 1.00 0.36 C ATOM 1011 C LEU A 66 -1.097 -1.491 8.007 1.00 0.34 C ATOM 1012 O LEU A 66 -1.548 -0.476 8.539 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.882 -1.585 5.629 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.577 -2.328 4.484 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.084 -2.116 4.542 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.020 -1.868 3.142 1.00 0.61 C ATOM 0 H LEU A 66 -3.693 -1.412 7.767 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.564 -3.281 6.891 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.325 -0.593 5.716 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.834 -1.444 5.363 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.381 -3.395 4.593 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.559 -2.652 3.720 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.468 -2.492 5.490 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.305 -1.052 4.457 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.522 -2.404 2.337 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.188 -0.797 3.026 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.950 -2.073 3.102 1.00 0.61 H new ATOM 1028 N TYR A 67 0.116 -1.964 8.272 1.00 0.28 N ATOM 1029 CA TYR A 67 0.998 -1.304 9.237 1.00 0.33 C ATOM 1030 C TYR A 67 2.466 -1.459 8.846 1.00 0.30 C ATOM 1031 O TYR A 67 2.800 -2.264 7.976 1.00 0.32 O ATOM 1032 CB TYR A 67 0.764 -1.885 10.637 1.00 0.43 C ATOM 1033 CG TYR A 67 0.748 -3.399 10.663 1.00 0.41 C ATOM 1034 CD1 TYR A 67 -0.415 -4.104 10.367 1.00 0.45 C ATOM 1035 CD2 TYR A 67 1.893 -4.125 10.968 1.00 0.55 C ATOM 1036 CE1 TYR A 67 -0.432 -5.483 10.372 1.00 0.55 C ATOM 1037 CE2 TYR A 67 1.879 -5.507 10.977 1.00 0.65 C ATOM 1038 CZ TYR A 67 0.714 -6.181 10.676 1.00 0.63 C ATOM 1039 OH TYR A 67 0.698 -7.559 10.673 1.00 0.80 O ATOM 0 H TYR A 67 0.512 -2.797 7.837 1.00 0.28 H new ATOM 0 HA TYR A 67 0.762 -0.240 9.239 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.545 -1.525 11.307 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.184 -1.512 11.024 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -1.319 -3.562 10.130 1.00 0.45 H new ATOM 0 HD2 TYR A 67 2.808 -3.601 11.202 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -1.343 -6.014 10.138 1.00 0.55 H new ATOM 0 HE2 TYR A 67 2.777 -6.057 11.219 1.00 0.65 H new ATOM 0 HH TYR A 67 0.228 -7.879 9.875 1.00 0.80 H new ATOM 1049 N GLY A 68 3.332 -0.683 9.492 1.00 0.34 N ATOM 1050 CA GLY A 68 4.754 -0.747 9.208 1.00 0.38 C ATOM 1051 C GLY A 68 5.573 -1.157 10.421 1.00 0.52 C ATOM 1052 O GLY A 68 6.801 -1.036 10.415 1.00 1.27 O ATOM 0 H GLY A 68 3.072 -0.008 10.211 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.928 -1.457 8.400 1.00 0.38 H new ATOM 0 HA3 GLY A 68 5.095 0.227 8.856 1.00 0.38 H new ATOM 1056 N SER A 69 4.902 -1.650 11.460 1.00 0.36 N ATOM 1057 CA SER A 69 5.577 -2.073 12.679 1.00 0.39 C ATOM 1058 C SER A 69 6.485 -3.273 12.401 1.00 0.32 C ATOM 1059 O SER A 69 6.005 -4.350 12.040 1.00 0.37 O ATOM 1060 CB SER A 69 4.537 -2.420 13.747 1.00 0.51 C ATOM 1061 OG SER A 69 3.399 -1.576 13.635 1.00 1.23 O ATOM 0 H SER A 69 3.889 -1.765 11.479 1.00 0.36 H new ATOM 0 HA SER A 69 6.200 -1.256 13.043 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.235 -3.462 13.642 1.00 0.51 H new ATOM 0 HB3 SER A 69 4.978 -2.314 14.738 1.00 0.51 H new ATOM 0 HG SER A 69 2.745 -1.815 14.325 1.00 1.23 H new ATOM 1067 N GLN A 70 7.793 -3.072 12.572 1.00 0.31 N ATOM 1068 CA GLN A 70 8.792 -4.116 12.328 1.00 0.33 C ATOM 1069 C GLN A 70 8.296 -5.497 12.771 1.00 0.32 C ATOM 1070 O GLN A 70 8.306 -5.822 13.959 1.00 0.45 O ATOM 1071 CB GLN A 70 10.108 -3.772 13.040 1.00 0.43 C ATOM 1072 CG GLN A 70 11.341 -3.916 12.157 1.00 0.61 C ATOM 1073 CD GLN A 70 11.490 -5.303 11.558 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.096 -6.303 12.159 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.070 -5.374 10.371 1.00 1.29 N ATOM 0 H GLN A 70 8.189 -2.185 12.882 1.00 0.31 H new ATOM 0 HA GLN A 70 8.965 -4.158 11.253 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.054 -2.747 13.408 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.219 -4.418 13.911 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.291 -3.183 11.352 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.229 -3.684 12.744 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.383 -4.523 9.905 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.204 -6.280 9.922 1.00 1.29 H new ATOM 1084 N THR A 71 7.842 -6.288 11.803 1.00 0.29 N ATOM 1085 CA THR A 71 7.349 -7.634 12.060 1.00 0.33 C ATOM 1086 C THR A 71 7.617 -8.538 10.851 1.00 0.30 C ATOM 1087 O THR A 71 6.819 -8.584 9.914 1.00 0.38 O ATOM 1088 CB THR A 71 5.833 -7.637 12.369 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.508 -6.589 13.301 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.408 -8.980 12.943 1.00 0.58 C ATOM 0 H THR A 71 7.806 -6.013 10.821 1.00 0.29 H new ATOM 0 HA THR A 71 7.881 -8.013 12.933 1.00 0.33 H new ATOM 0 HB THR A 71 5.296 -7.464 11.436 1.00 0.43 H new ATOM 0 HG1 THR A 71 5.615 -5.718 12.864 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.339 -8.963 13.154 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.623 -9.768 12.222 1.00 0.58 H new ATOM 0 HG23 THR A 71 5.957 -9.172 13.865 1.00 0.58 H new ATOM 1098 N PRO A 72 8.757 -9.247 10.841 1.00 0.30 N ATOM 1099 CA PRO A 72 9.115 -10.145 9.738 1.00 0.33 C ATOM 1100 C PRO A 72 8.116 -11.293 9.595 1.00 0.31 C ATOM 1101 O PRO A 72 8.076 -12.201 10.432 1.00 0.44 O ATOM 1102 CB PRO A 72 10.502 -10.672 10.132 1.00 0.44 C ATOM 1103 CG PRO A 72 10.577 -10.480 11.608 1.00 0.50 C ATOM 1104 CD PRO A 72 9.776 -9.244 11.903 1.00 0.41 C ATOM 0 HA PRO A 72 9.109 -9.637 8.774 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.617 -11.722 9.863 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.293 -10.124 9.621 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.172 -11.343 12.135 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.610 -10.363 11.935 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.325 -9.283 12.895 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.393 -8.346 11.868 1.00 0.41 H new ATOM 1112 N ASN A 73 7.304 -11.243 8.544 1.00 0.28 N ATOM 1113 CA ASN A 73 6.303 -12.276 8.301 1.00 0.31 C ATOM 1114 C ASN A 73 5.814 -12.249 6.851 1.00 0.28 C ATOM 1115 O ASN A 73 5.910 -11.225 6.167 1.00 0.31 O ATOM 1116 CB ASN A 73 5.116 -12.100 9.252 1.00 0.38 C ATOM 1117 CG ASN A 73 4.106 -13.227 9.124 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.263 -13.214 8.229 1.00 1.01 O ATOM 1119 ND2 ASN A 73 4.181 -14.209 10.013 1.00 1.26 N ATOM 0 H ASN A 73 7.319 -10.498 7.847 1.00 0.28 H new ATOM 0 HA ASN A 73 6.773 -13.242 8.485 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.479 -12.055 10.279 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.625 -11.149 9.045 1.00 0.38 H new ATOM 0 HD21 ASN A 73 3.525 -14.989 9.968 1.00 1.26 H new ATOM 0 HD22 ASN A 73 4.895 -14.184 10.741 1.00 1.26 H new ATOM 1126 N GLU A 74 5.280 -13.385 6.400 1.00 0.28 N ATOM 1127 CA GLU A 74 4.763 -13.533 5.039 1.00 0.30 C ATOM 1128 C GLU A 74 3.768 -12.427 4.683 1.00 0.28 C ATOM 1129 O GLU A 74 3.616 -12.080 3.510 1.00 0.31 O ATOM 1130 CB GLU A 74 4.088 -14.893 4.872 1.00 0.37 C ATOM 1131 CG GLU A 74 4.978 -16.068 5.251 1.00 0.45 C ATOM 1132 CD GLU A 74 4.688 -17.299 4.424 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.650 -17.951 4.666 1.00 0.66 O ATOM 1134 OE2 GLU A 74 5.489 -17.619 3.524 1.00 0.79 O ATOM 0 H GLU A 74 5.194 -14.228 6.968 1.00 0.28 H new ATOM 0 HA GLU A 74 5.614 -13.457 4.362 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.187 -14.919 5.484 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.772 -15.007 3.835 1.00 0.37 H new ATOM 0 HG2 GLU A 74 6.023 -15.785 5.123 1.00 0.45 H new ATOM 0 HG3 GLU A 74 4.838 -16.301 6.307 1.00 0.45 H new ATOM 1141 N GLU A 75 3.097 -11.873 5.696 1.00 0.28 N ATOM 1142 CA GLU A 75 2.120 -10.801 5.483 1.00 0.30 C ATOM 1143 C GLU A 75 2.711 -9.644 4.662 1.00 0.34 C ATOM 1144 O GLU A 75 1.971 -8.793 4.165 1.00 0.60 O ATOM 1145 CB GLU A 75 1.610 -10.268 6.826 1.00 0.37 C ATOM 1146 CG GLU A 75 0.845 -11.293 7.653 1.00 0.49 C ATOM 1147 CD GLU A 75 -0.313 -11.922 6.902 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.083 -12.882 6.140 1.00 1.21 O ATOM 1149 OE2 GLU A 75 -1.464 -11.469 7.083 1.00 1.26 O ATOM 0 H GLU A 75 3.212 -12.148 6.671 1.00 0.28 H new ATOM 0 HA GLU A 75 1.290 -11.228 4.920 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.459 -9.908 7.408 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.963 -9.410 6.642 1.00 0.37 H new ATOM 0 HG2 GLU A 75 1.531 -12.077 7.973 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.467 -10.813 8.555 1.00 0.49 H new ATOM 1156 N CYS A 76 4.037 -9.603 4.534 1.00 0.25 N ATOM 1157 CA CYS A 76 4.702 -8.556 3.765 1.00 0.28 C ATOM 1158 C CYS A 76 4.671 -8.846 2.252 1.00 0.28 C ATOM 1159 O CYS A 76 5.119 -8.022 1.450 1.00 0.36 O ATOM 1160 CB CYS A 76 6.151 -8.404 4.239 1.00 0.31 C ATOM 1161 SG CYS A 76 6.866 -6.770 3.935 1.00 0.49 S ATOM 0 H CYS A 76 4.670 -10.284 4.954 1.00 0.25 H new ATOM 0 HA CYS A 76 4.160 -7.626 3.933 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.195 -8.614 5.308 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.765 -9.155 3.741 1.00 0.31 H new ATOM 0 HG CYS A 76 7.959 -6.897 3.242 1.00 0.49 H new ATOM 1167 N LEU A 77 4.159 -10.015 1.858 1.00 0.27 N ATOM 1168 CA LEU A 77 4.085 -10.373 0.442 1.00 0.31 C ATOM 1169 C LEU A 77 2.802 -9.836 -0.186 1.00 0.25 C ATOM 1170 O LEU A 77 1.696 -10.293 0.131 1.00 0.31 O ATOM 1171 CB LEU A 77 4.171 -11.894 0.259 1.00 0.41 C ATOM 1172 CG LEU A 77 5.474 -12.402 -0.364 1.00 0.54 C ATOM 1173 CD1 LEU A 77 5.686 -11.787 -1.740 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.656 -12.106 0.549 1.00 0.58 C ATOM 0 H LEU A 77 3.793 -10.723 2.494 1.00 0.27 H new ATOM 0 HA LEU A 77 4.935 -9.916 -0.065 1.00 0.31 H new ATOM 0 HB2 LEU A 77 4.043 -12.369 1.232 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.338 -12.217 -0.366 1.00 0.41 H new ATOM 0 HG LEU A 77 5.399 -13.483 -0.483 1.00 0.54 H new ATOM 0 HD11 LEU A 77 6.617 -12.161 -2.166 1.00 0.76 H new ATOM 0 HD12 LEU A 77 4.855 -12.057 -2.391 1.00 0.76 H new ATOM 0 HD13 LEU A 77 5.738 -10.702 -1.650 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.573 -12.475 0.089 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.735 -11.030 0.704 1.00 0.58 H new ATOM 0 HD23 LEU A 77 6.507 -12.601 1.509 1.00 0.58 H new ATOM 1186 N PHE A 78 2.953 -8.875 -1.091 1.00 0.21 N ATOM 1187 CA PHE A 78 1.810 -8.265 -1.756 1.00 0.21 C ATOM 1188 C PHE A 78 1.882 -8.440 -3.267 1.00 0.19 C ATOM 1189 O PHE A 78 2.951 -8.690 -3.830 1.00 0.23 O ATOM 1190 CB PHE A 78 1.735 -6.770 -1.424 1.00 0.26 C ATOM 1191 CG PHE A 78 1.527 -6.475 0.036 1.00 0.29 C ATOM 1192 CD1 PHE A 78 2.607 -6.394 0.898 1.00 0.32 C ATOM 1193 CD2 PHE A 78 0.252 -6.273 0.540 1.00 0.46 C ATOM 1194 CE1 PHE A 78 2.423 -6.117 2.237 1.00 0.38 C ATOM 1195 CE2 PHE A 78 0.060 -5.994 1.881 1.00 0.53 C ATOM 1196 CZ PHE A 78 1.148 -5.916 2.730 1.00 0.45 C ATOM 0 H PHE A 78 3.857 -8.502 -1.380 1.00 0.21 H new ATOM 0 HA PHE A 78 0.915 -8.769 -1.391 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.656 -6.289 -1.753 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.921 -6.323 -1.994 1.00 0.26 H new ATOM 0 HD1 PHE A 78 3.606 -6.550 0.518 1.00 0.32 H new ATOM 0 HD2 PHE A 78 -0.600 -6.334 -0.121 1.00 0.46 H new ATOM 0 HE1 PHE A 78 3.274 -6.057 2.899 1.00 0.38 H new ATOM 0 HE2 PHE A 78 -0.938 -5.837 2.264 1.00 0.53 H new ATOM 0 HZ PHE A 78 1.002 -5.698 3.778 1.00 0.45 H new ATOM 1206 N LEU A 79 0.729 -8.320 -3.911 1.00 0.21 N ATOM 1207 CA LEU A 79 0.629 -8.429 -5.359 1.00 0.21 C ATOM 1208 C LEU A 79 0.399 -7.037 -5.946 1.00 0.20 C ATOM 1209 O LEU A 79 -0.607 -6.392 -5.636 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.527 -9.365 -5.740 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.458 -9.988 -7.142 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.477 -8.913 -8.222 1.00 0.34 C ATOM 1213 CD2 LEU A 79 0.774 -10.870 -7.279 1.00 0.35 C ATOM 0 H LEU A 79 -0.161 -8.145 -3.445 1.00 0.21 H new ATOM 0 HA LEU A 79 1.553 -8.845 -5.760 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.571 -10.171 -5.008 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.461 -8.808 -5.657 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.342 -10.612 -7.276 1.00 0.30 H new ATOM 0 HD11 LEU A 79 -0.427 -9.383 -9.204 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.397 -8.334 -8.143 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.380 -8.252 -8.092 1.00 0.34 H new ATOM 0 HD21 LEU A 79 0.803 -11.301 -8.280 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.670 -10.271 -7.116 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.733 -11.670 -6.540 1.00 0.35 H new ATOM 1225 N GLU A 80 1.334 -6.574 -6.771 1.00 0.21 N ATOM 1226 CA GLU A 80 1.230 -5.250 -7.381 1.00 0.22 C ATOM 1227 C GLU A 80 0.683 -5.363 -8.800 1.00 0.22 C ATOM 1228 O GLU A 80 1.371 -5.830 -9.710 1.00 0.35 O ATOM 1229 CB GLU A 80 2.590 -4.533 -7.380 1.00 0.28 C ATOM 1230 CG GLU A 80 2.581 -3.199 -8.119 1.00 0.33 C ATOM 1231 CD GLU A 80 3.660 -2.241 -7.639 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.838 -2.643 -7.553 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.335 -1.063 -7.357 1.00 0.45 O ATOM 0 H GLU A 80 2.171 -7.094 -7.033 1.00 0.21 H new ATOM 0 HA GLU A 80 0.537 -4.654 -6.787 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.901 -4.365 -6.349 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.335 -5.185 -7.835 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.714 -3.381 -9.185 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.605 -2.729 -7.995 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.562 -4.940 -8.980 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.210 -4.993 -10.283 1.00 0.23 C ATOM 1242 C ARG A 81 -1.310 -3.593 -10.887 1.00 0.20 C ATOM 1243 O ARG A 81 -2.296 -2.875 -10.682 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.596 -5.639 -10.157 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.404 -5.640 -11.447 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.712 -6.392 -11.273 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.627 -6.186 -12.396 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.850 -6.720 -12.470 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -7.291 -7.529 -11.507 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -7.628 -6.453 -13.512 1.00 1.02 N ATOM 0 H ARG A 81 -1.145 -4.555 -8.236 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.607 -5.605 -10.953 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.475 -6.667 -9.816 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.161 -5.113 -9.388 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.609 -4.614 -11.752 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.820 -6.099 -12.245 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.505 -7.457 -11.167 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.194 -6.068 -10.351 1.00 0.50 H new ATOM 0 HE ARG A 81 -5.313 -5.599 -13.169 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.694 -7.744 -10.708 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -8.225 -7.934 -11.569 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -7.292 -5.841 -14.255 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -8.561 -6.860 -13.569 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.273 -3.198 -11.613 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.232 -1.890 -12.254 1.00 0.24 C ATOM 1266 C LEU A 82 -0.698 -1.997 -13.702 1.00 0.27 C ATOM 1267 O LEU A 82 -0.159 -2.790 -14.478 1.00 0.40 O ATOM 1268 CB LEU A 82 1.186 -1.312 -12.196 1.00 0.32 C ATOM 1269 CG LEU A 82 1.381 0.018 -12.933 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.584 1.132 -12.263 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.857 0.378 -12.996 1.00 0.54 C ATOM 0 H LEU A 82 0.557 -3.769 -11.774 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.904 -1.219 -11.718 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.462 -1.173 -11.151 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.877 -2.045 -12.613 1.00 0.32 H new ATOM 0 HG LEU A 82 1.009 -0.098 -13.951 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.738 2.066 -12.804 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.476 0.878 -12.273 1.00 0.43 H new ATOM 0 HD13 LEU A 82 0.919 1.250 -11.232 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.978 1.325 -13.522 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.252 0.472 -11.984 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.400 -0.404 -13.526 1.00 0.54 H new ATOM 1283 N GLU A 83 -1.713 -1.213 -14.059 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.244 -1.222 -15.417 1.00 0.36 C ATOM 1285 C GLU A 83 -1.453 -0.248 -16.296 1.00 0.44 C ATOM 1286 O GLU A 83 -0.547 -0.661 -17.023 1.00 1.00 O ATOM 1287 CB GLU A 83 -3.734 -0.866 -15.413 1.00 0.42 C ATOM 1288 CG GLU A 83 -4.366 -0.882 -16.792 1.00 0.67 C ATOM 1289 CD GLU A 83 -5.414 0.196 -16.954 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -5.042 1.388 -16.990 1.00 1.24 O ATOM 1291 OE2 GLU A 83 -6.613 -0.144 -17.043 1.00 1.19 O ATOM 0 H GLU A 83 -2.183 -0.565 -13.427 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.138 -2.225 -15.830 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.265 -1.569 -14.771 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -3.861 0.124 -14.976 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -3.591 -0.749 -17.546 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -4.820 -1.857 -16.970 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.796 1.039 -16.219 1.00 0.37 N ATOM 1299 CA GLU A 84 -1.109 2.076 -16.991 1.00 0.38 C ATOM 1300 C GLU A 84 -1.800 3.432 -16.840 1.00 0.31 C ATOM 1301 O GLU A 84 -1.135 4.468 -16.822 1.00 0.32 O ATOM 1302 CB GLU A 84 -1.005 1.708 -18.475 1.00 0.50 C ATOM 1303 CG GLU A 84 -2.340 1.559 -19.182 1.00 0.90 C ATOM 1304 CD GLU A 84 -2.180 1.020 -20.586 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -1.908 1.820 -21.510 1.00 1.23 O ATOM 1306 OE2 GLU A 84 -2.311 -0.209 -20.772 1.00 1.14 O ATOM 0 H GLU A 84 -2.549 1.389 -15.627 1.00 0.37 H new ATOM 0 HA GLU A 84 -0.100 2.149 -16.586 1.00 0.38 H new ATOM 0 HB2 GLU A 84 -0.421 2.474 -18.986 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.453 0.772 -18.566 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -2.982 0.891 -18.608 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -2.840 2.527 -19.220 1.00 0.90 H new ATOM 1313 N ASN A 85 -3.130 3.432 -16.735 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.882 4.678 -16.579 1.00 0.37 C ATOM 1315 C ASN A 85 -3.640 5.290 -15.194 1.00 0.29 C ATOM 1316 O ASN A 85 -4.570 5.465 -14.408 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.383 4.434 -16.796 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.203 5.712 -16.709 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.735 6.790 -17.084 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.425 5.605 -16.209 1.00 0.79 N ATOM 0 H ASN A 85 -3.705 2.590 -16.755 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.530 5.382 -17.334 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.535 3.975 -17.773 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.743 3.724 -16.051 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.015 6.432 -16.123 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.776 4.695 -15.910 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.374 5.605 -14.907 1.00 0.28 N ATOM 1328 CA HIS A 86 -1.969 6.196 -13.626 1.00 0.33 C ATOM 1329 C HIS A 86 -2.727 5.563 -12.456 1.00 0.30 C ATOM 1330 O HIS A 86 -3.135 6.253 -11.520 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.177 7.717 -13.643 1.00 0.45 C ATOM 1332 CG HIS A 86 -3.605 8.137 -13.794 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -4.196 8.353 -15.017 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -4.564 8.365 -12.868 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -5.457 8.693 -14.839 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -5.706 8.708 -13.544 1.00 0.71 N ATOM 0 H HIS A 86 -1.600 5.458 -15.555 1.00 0.28 H new ATOM 0 HA HIS A 86 -0.908 5.992 -13.486 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -1.782 8.137 -12.718 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -1.596 8.143 -14.461 1.00 0.45 H new ATOM 0 HD2 HIS A 86 -4.451 8.291 -11.796 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -6.166 8.921 -15.621 1.00 0.78 H new ATOM 0 HE2 HIS A 86 -6.603 8.938 -13.115 1.00 0.71 H new ATOM 1345 N TYR A 87 -2.895 4.245 -12.509 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.608 3.518 -11.466 1.00 0.34 C ATOM 1347 C TYR A 87 -3.086 2.084 -11.362 1.00 0.24 C ATOM 1348 O TYR A 87 -2.602 1.514 -12.348 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.122 3.528 -11.748 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.724 2.156 -11.987 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -5.767 1.602 -13.263 1.00 0.83 C ATOM 1352 CD2 TYR A 87 -6.238 1.413 -10.933 1.00 0.51 C ATOM 1353 CE1 TYR A 87 -6.305 0.347 -13.478 1.00 1.03 C ATOM 1354 CE2 TYR A 87 -6.779 0.159 -11.140 1.00 0.75 C ATOM 1355 CZ TYR A 87 -6.810 -0.370 -12.414 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.347 -1.624 -12.626 1.00 1.27 O ATOM 0 H TYR A 87 -2.545 3.658 -13.266 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.433 4.015 -10.512 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.633 3.994 -10.905 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.313 4.152 -12.621 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.374 2.162 -14.099 1.00 0.83 H new ATOM 0 HD2 TYR A 87 -6.214 1.822 -9.934 1.00 0.51 H new ATOM 0 HE1 TYR A 87 -6.330 -0.070 -14.474 1.00 1.03 H new ATOM 0 HE2 TYR A 87 -7.176 -0.405 -10.309 1.00 0.75 H new ATOM 0 HH TYR A 87 -7.657 -1.995 -11.774 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.187 1.511 -10.169 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.740 0.145 -9.922 1.00 0.20 C ATOM 1368 C ASN A 88 -3.584 -0.483 -8.817 1.00 0.20 C ATOM 1369 O ASN A 88 -4.384 0.205 -8.177 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.255 0.127 -9.533 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.036 0.156 -8.031 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.191 1.325 -7.428 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.758 -0.867 -7.416 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.578 1.976 -9.350 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.862 -0.436 -10.836 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.788 -0.767 -9.946 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.756 0.985 -9.984 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.647 -1.749 -7.917 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.638 -0.837 -6.404 1.00 0.24 H new ATOM 1380 N THR A 89 -3.411 -1.779 -8.601 1.00 0.23 N ATOM 1381 CA THR A 89 -4.153 -2.492 -7.569 1.00 0.26 C ATOM 1382 C THR A 89 -3.227 -3.386 -6.742 1.00 0.21 C ATOM 1383 O THR A 89 -2.332 -4.041 -7.287 1.00 0.25 O ATOM 1384 CB THR A 89 -5.289 -3.342 -8.180 1.00 0.34 C ATOM 1385 OG1 THR A 89 -4.926 -3.798 -9.493 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.582 -2.543 -8.257 1.00 0.72 C ATOM 0 H THR A 89 -2.761 -2.361 -9.129 1.00 0.23 H new ATOM 0 HA THR A 89 -4.594 -1.741 -6.914 1.00 0.26 H new ATOM 0 HB THR A 89 -5.447 -4.204 -7.532 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.733 -3.898 -10.040 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.367 -3.162 -8.691 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.877 -2.231 -7.255 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.429 -1.662 -8.881 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.441 -3.400 -5.428 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.634 -4.204 -4.517 1.00 0.21 C ATOM 1396 C TYR A 90 -3.501 -5.237 -3.804 1.00 0.23 C ATOM 1397 O TYR A 90 -4.580 -4.909 -3.305 1.00 0.28 O ATOM 1398 CB TYR A 90 -1.952 -3.318 -3.468 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.874 -2.409 -4.015 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.349 -2.919 -4.430 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.074 -1.036 -4.097 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.342 -2.089 -4.912 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.086 -0.198 -4.581 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.121 -0.729 -4.987 1.00 0.31 C ATOM 1405 OH TYR A 90 2.110 0.103 -5.465 1.00 0.36 O ATOM 0 H TYR A 90 -4.173 -2.858 -4.969 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.873 -4.712 -5.110 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.711 -2.707 -2.979 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.515 -3.957 -2.701 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.527 -3.983 -4.375 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.017 -0.617 -3.777 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.288 -2.503 -5.229 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.258 0.866 -4.641 1.00 0.31 H new ATOM 0 HH TYR A 90 2.324 -0.141 -6.390 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.031 -6.479 -3.757 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.761 -7.553 -3.091 1.00 0.26 C ATOM 1417 C ILE A 91 -2.805 -8.449 -2.306 1.00 0.27 C ATOM 1418 O ILE A 91 -1.619 -8.559 -2.641 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.588 -8.405 -4.080 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.707 -8.945 -5.209 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.741 -7.587 -4.640 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.447 -9.841 -6.181 1.00 0.31 C ATOM 0 H ILE A 91 -2.146 -6.768 -4.173 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.460 -7.078 -2.402 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.997 -9.259 -3.540 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.278 -8.106 -5.756 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.876 -9.502 -4.775 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.316 -8.198 -5.336 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.386 -7.261 -3.824 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.348 -6.715 -5.162 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.760 -10.186 -6.953 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.853 -10.700 -5.647 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.261 -9.283 -6.643 1.00 0.31 H new ATOM 1434 N SER A 92 -3.323 -9.068 -1.252 1.00 0.33 N ATOM 1435 CA SER A 92 -2.533 -9.944 -0.396 1.00 0.37 C ATOM 1436 C SER A 92 -2.111 -11.220 -1.131 1.00 0.31 C ATOM 1437 O SER A 92 -2.948 -12.059 -1.462 1.00 0.44 O ATOM 1438 CB SER A 92 -3.344 -10.305 0.851 1.00 0.50 C ATOM 1439 OG SER A 92 -4.084 -9.187 1.319 1.00 0.82 O ATOM 0 H SER A 92 -4.298 -8.977 -0.968 1.00 0.33 H new ATOM 0 HA SER A 92 -1.626 -9.411 -0.109 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.024 -11.125 0.622 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.674 -10.656 1.636 1.00 0.50 H new ATOM 0 HG SER A 92 -3.668 -8.838 2.135 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.808 -11.364 -1.369 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.276 -12.542 -2.055 1.00 0.31 C ATOM 1447 C LYS A 93 -0.484 -13.794 -1.205 1.00 0.29 C ATOM 1448 O LYS A 93 -0.852 -14.853 -1.719 1.00 0.35 O ATOM 1449 CB LYS A 93 1.214 -12.343 -2.370 1.00 0.42 C ATOM 1450 CG LYS A 93 1.897 -13.552 -3.004 1.00 0.55 C ATOM 1451 CD LYS A 93 2.391 -14.530 -1.948 1.00 0.74 C ATOM 1452 CE LYS A 93 3.721 -15.165 -2.336 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.570 -16.146 -3.444 1.00 0.80 N ATOM 0 H LYS A 93 -0.101 -10.680 -1.097 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.814 -12.674 -2.994 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.319 -11.490 -3.040 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.736 -12.090 -1.447 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.199 -14.057 -3.671 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.737 -13.219 -3.614 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.501 -14.011 -0.996 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.645 -15.311 -1.800 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.421 -14.385 -2.636 1.00 0.80 H new ATOM 0 HE3 LYS A 93 4.152 -15.663 -1.467 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 4.482 -16.615 -3.619 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.859 -16.858 -3.183 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 3.264 -15.651 -4.306 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.243 -13.669 0.101 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.413 -14.790 1.022 1.00 0.31 C ATOM 1469 C LYS A 94 -1.893 -15.129 1.199 1.00 0.31 C ATOM 1470 O LYS A 94 -2.264 -16.300 1.271 1.00 0.56 O ATOM 1471 CB LYS A 94 0.219 -14.484 2.389 1.00 0.36 C ATOM 1472 CG LYS A 94 -0.267 -15.398 3.508 1.00 0.55 C ATOM 1473 CD LYS A 94 0.880 -15.925 4.353 1.00 0.55 C ATOM 1474 CE LYS A 94 0.398 -16.985 5.334 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.524 -17.648 6.048 1.00 0.69 N ATOM 0 H LYS A 94 0.070 -12.804 0.542 1.00 0.28 H new ATOM 0 HA LYS A 94 0.096 -15.651 0.589 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.302 -14.571 2.306 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.002 -13.450 2.656 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.965 -14.853 4.144 1.00 0.55 H new ATOM 0 HG3 LYS A 94 -0.816 -16.236 3.079 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.648 -16.347 3.705 1.00 0.55 H new ATOM 0 HD3 LYS A 94 1.341 -15.102 4.900 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.271 -16.526 6.062 1.00 0.63 H new ATOM 0 HE3 LYS A 94 -0.182 -17.736 4.798 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 1.163 -18.460 6.588 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.228 -17.977 5.357 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.969 -16.970 6.699 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.736 -14.103 1.269 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.170 -14.310 1.448 1.00 0.28 C ATOM 1491 C HIS A 95 -4.881 -14.350 0.100 1.00 0.27 C ATOM 1492 O HIS A 95 -5.792 -13.563 -0.158 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.780 -13.218 2.339 1.00 0.36 C ATOM 1494 CG HIS A 95 -4.209 -13.173 3.721 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.403 -14.168 4.656 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -3.439 -12.239 4.324 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.778 -13.844 5.773 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -3.187 -12.680 5.597 1.00 0.50 N ATOM 0 H HIS A 95 -2.453 -13.125 1.205 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.308 -15.271 1.944 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.630 -12.249 1.863 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.856 -13.377 2.406 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -3.088 -11.317 3.884 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.755 -14.433 6.678 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -2.631 -12.186 6.296 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.464 -15.277 -0.757 1.00 0.31 N ATOM 1508 CA ALA A 96 -5.057 -15.420 -2.085 1.00 0.35 C ATOM 1509 C ALA A 96 -6.536 -15.785 -1.992 1.00 0.34 C ATOM 1510 O ALA A 96 -7.339 -15.375 -2.830 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.307 -16.468 -2.897 1.00 0.44 C ATOM 0 H ALA A 96 -3.717 -15.942 -0.556 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.975 -14.458 -2.591 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.764 -16.560 -3.883 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.265 -16.167 -3.006 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.355 -17.429 -2.384 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.890 -16.561 -0.970 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.273 -16.992 -0.767 1.00 0.38 C ATOM 1519 C GLU A 97 -9.125 -15.871 -0.162 1.00 0.37 C ATOM 1520 O GLU A 97 -10.354 -15.955 -0.155 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.314 -18.232 0.134 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.322 -19.317 -0.266 1.00 0.57 C ATOM 1523 CD GLU A 97 -7.681 -19.999 -1.572 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -7.775 -19.312 -2.606 1.00 0.93 O ATOM 1525 OE2 GLU A 97 -7.882 -21.229 -1.567 1.00 0.97 O ATOM 0 H GLU A 97 -6.236 -16.906 -0.267 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.692 -17.243 -1.741 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -8.112 -17.930 1.162 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.321 -18.649 0.116 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.328 -18.878 -0.353 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.272 -20.065 0.526 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.470 -14.829 0.347 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.165 -13.693 0.941 1.00 0.38 C ATOM 1534 C LYS A 98 -8.507 -12.390 0.494 1.00 0.37 C ATOM 1535 O LYS A 98 -8.201 -11.514 1.310 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.166 -13.796 2.472 1.00 0.48 C ATOM 1537 CG LYS A 98 -10.036 -14.923 3.011 1.00 0.60 C ATOM 1538 CD LYS A 98 -10.179 -14.842 4.524 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.970 -13.613 4.951 1.00 0.78 C ATOM 1540 NZ LYS A 98 -11.127 -13.531 6.427 1.00 0.89 N ATOM 0 H LYS A 98 -7.453 -14.750 0.359 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.201 -13.701 0.601 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.143 -13.942 2.818 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.512 -12.851 2.890 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -11.022 -14.876 2.548 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.600 -15.884 2.737 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -10.676 -15.740 4.891 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -9.190 -14.815 4.982 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.467 -12.716 4.591 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.954 -13.636 4.483 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.671 -12.679 6.671 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -11.630 -14.374 6.770 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.189 -13.482 6.874 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.287 -12.273 -0.808 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.660 -11.085 -1.374 1.00 0.48 C ATOM 1556 C ASN A 99 -8.652 -9.926 -1.441 1.00 0.44 C ATOM 1557 O ASN A 99 -9.683 -10.012 -2.111 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.084 -11.384 -2.770 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.143 -11.444 -3.859 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -8.826 -12.454 -4.025 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -8.275 -10.367 -4.622 1.00 1.07 N ATOM 0 H ASN A 99 -8.533 -12.987 -1.494 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.839 -10.794 -0.719 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.353 -10.617 -3.026 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.551 -12.334 -2.739 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -8.961 -10.358 -5.377 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -7.691 -9.548 -4.454 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.344 -8.856 -0.720 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.189 -7.669 -0.693 1.00 0.32 C ATOM 1570 C TRP A 100 -8.340 -6.422 -0.904 1.00 0.32 C ATOM 1571 O TRP A 100 -7.257 -6.295 -0.325 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.955 -7.583 0.631 1.00 0.38 C ATOM 1573 CG TRP A 100 -11.064 -8.589 0.741 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.975 -9.858 1.233 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.428 -8.406 0.344 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -12.199 -10.479 1.164 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -13.108 -9.608 0.625 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -13.143 -7.346 -0.219 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.465 -9.775 0.362 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.489 -7.513 -0.480 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -15.138 -8.718 -0.188 1.00 1.08 C ATOM 0 H TRP A 100 -7.507 -8.786 -0.141 1.00 0.33 H new ATOM 0 HA TRP A 100 -9.917 -7.738 -1.501 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -9.258 -7.729 1.456 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.371 -6.581 0.738 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -10.074 -10.309 1.621 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.398 -11.433 1.465 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.651 -6.412 -0.446 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.968 -10.705 0.584 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -15.050 -6.700 -0.917 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -16.192 -8.816 -0.401 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.828 -5.514 -1.738 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.099 -4.288 -2.041 1.00 0.29 C ATOM 1594 C PHE A 101 -7.943 -3.418 -0.797 1.00 0.29 C ATOM 1595 O PHE A 101 -8.862 -3.301 0.021 1.00 0.38 O ATOM 1596 CB PHE A 101 -8.791 -3.507 -3.163 1.00 0.34 C ATOM 1597 CG PHE A 101 -8.819 -4.243 -4.472 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -7.647 -4.474 -5.177 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.015 -4.709 -4.995 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -7.671 -5.157 -6.378 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.043 -5.389 -6.195 1.00 0.64 C ATOM 1602 CZ PHE A 101 -8.869 -5.614 -6.887 1.00 0.64 C ATOM 0 H PHE A 101 -9.724 -5.602 -2.217 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.102 -4.568 -2.382 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.813 -3.280 -2.860 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.280 -2.554 -3.301 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -6.707 -4.117 -4.784 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -10.936 -4.538 -4.457 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -6.752 -5.333 -6.918 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -10.982 -5.745 -6.593 1.00 0.64 H new ATOM 0 HZ PHE A 101 -8.889 -6.147 -7.826 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.766 -2.818 -0.667 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.447 -1.964 0.471 1.00 0.35 C ATOM 1614 C VAL A 102 -6.888 -0.514 0.216 1.00 0.55 C ATOM 1615 O VAL A 102 -7.890 -0.276 -0.466 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.931 -2.025 0.790 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.511 -3.451 1.115 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.104 -1.476 -0.366 1.00 0.82 C ATOM 0 H VAL A 102 -6.009 -2.909 -1.344 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.998 -2.336 1.335 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.746 -1.400 1.663 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.444 -3.475 1.336 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -5.069 -3.806 1.981 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.719 -4.095 0.261 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.045 -1.531 -0.114 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.295 -2.066 -1.262 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.380 -0.437 -0.550 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.167 0.453 0.787 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.506 1.851 0.592 1.00 0.46 C ATOM 1630 C GLY A 103 -6.799 2.551 1.900 1.00 0.41 C ATOM 1631 O GLY A 103 -7.761 2.200 2.596 1.00 0.59 O ATOM 0 H GLY A 103 -5.354 0.290 1.381 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -5.683 2.356 0.087 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.375 1.925 -0.062 1.00 0.46 H new ATOM 1635 N LEU A 104 -5.969 3.528 2.236 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.133 4.285 3.468 1.00 0.34 C ATOM 1637 C LEU A 104 -6.889 5.582 3.196 1.00 0.34 C ATOM 1638 O LEU A 104 -7.046 5.989 2.043 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.772 4.589 4.106 1.00 0.38 C ATOM 1640 CG LEU A 104 -3.881 5.557 3.319 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.281 6.601 4.246 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -2.781 4.805 2.581 1.00 0.66 C ATOM 0 H LEU A 104 -5.171 3.816 1.669 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.711 3.680 4.166 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -4.940 5.002 5.100 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.233 3.651 4.238 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.501 6.064 2.580 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.651 7.280 3.671 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.081 7.166 4.724 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.679 6.107 5.009 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.162 5.514 2.030 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.163 4.266 3.300 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.229 4.096 1.884 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.365 6.215 4.256 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.099 7.464 4.134 1.00 0.41 C ATOM 1656 C LYS A 105 -7.424 8.558 4.952 1.00 0.32 C ATOM 1657 O LYS A 105 -7.066 8.337 6.114 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.542 7.280 4.613 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.486 8.384 4.161 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.017 8.122 2.759 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.385 8.751 2.551 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.301 10.125 1.996 1.00 0.60 N ATOM 0 H LYS A 105 -7.256 5.883 5.214 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.105 7.758 3.084 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.916 6.323 4.249 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.550 7.232 5.702 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.320 8.460 4.859 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -9.965 9.341 4.181 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.317 8.520 2.024 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.081 7.047 2.589 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.970 8.126 1.877 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -12.917 8.779 3.502 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -13.241 10.425 1.668 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.967 10.778 2.734 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.636 10.136 1.197 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.269 9.740 4.354 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.644 10.867 5.050 1.00 0.46 C ATOM 1678 C LYS A 106 -7.360 11.145 6.373 1.00 0.51 C ATOM 1679 O LYS A 106 -6.823 11.827 7.247 1.00 0.67 O ATOM 1680 CB LYS A 106 -6.619 12.120 4.167 1.00 0.60 C ATOM 1681 CG LYS A 106 -7.990 12.675 3.813 1.00 0.67 C ATOM 1682 CD LYS A 106 -7.864 13.872 2.888 1.00 0.90 C ATOM 1683 CE LYS A 106 -9.171 14.646 2.766 1.00 1.14 C ATOM 1684 NZ LYS A 106 -9.062 15.761 1.786 1.00 1.43 N ATOM 0 H LYS A 106 -7.564 9.942 3.399 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.611 10.597 5.269 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.048 12.896 4.677 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.087 11.887 3.245 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -8.588 11.900 3.333 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.515 12.966 4.723 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -7.084 14.536 3.260 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -7.550 13.534 1.900 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -9.968 13.968 2.459 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -9.450 15.045 3.741 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -9.986 15.919 1.336 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -8.763 16.627 2.278 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -8.360 15.516 1.058 1.00 1.43 H new ATOM 1698 N ASN A 107 -8.583 10.623 6.506 1.00 0.53 N ATOM 1699 CA ASN A 107 -9.359 10.752 7.737 1.00 0.70 C ATOM 1700 C ASN A 107 -8.541 10.232 8.928 1.00 0.65 C ATOM 1701 O ASN A 107 -8.808 10.588 10.075 1.00 0.82 O ATOM 1702 CB ASN A 107 -10.694 9.984 7.595 1.00 0.83 C ATOM 1703 CG ASN A 107 -10.965 8.994 8.722 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -10.278 7.977 8.852 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -11.990 9.260 9.519 1.00 1.38 N ATOM 0 H ASN A 107 -9.058 10.103 5.768 1.00 0.53 H new ATOM 0 HA ASN A 107 -9.587 11.802 7.918 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -11.512 10.703 7.553 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -10.693 9.447 6.646 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -12.233 8.614 10.270 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -12.536 10.111 9.382 1.00 1.38 H new ATOM 1712 N GLY A 108 -7.540 9.391 8.640 1.00 0.49 N ATOM 1713 CA GLY A 108 -6.690 8.840 9.679 1.00 0.55 C ATOM 1714 C GLY A 108 -6.975 7.374 9.933 1.00 0.52 C ATOM 1715 O GLY A 108 -6.790 6.888 11.049 1.00 1.00 O ATOM 0 H GLY A 108 -7.307 9.084 7.696 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -5.645 8.961 9.394 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -6.836 9.402 10.602 1.00 0.55 H new ATOM 1719 N SER A 109 -7.409 6.661 8.894 1.00 0.52 N ATOM 1720 CA SER A 109 -7.734 5.248 9.025 1.00 0.56 C ATOM 1721 C SER A 109 -7.599 4.531 7.681 1.00 0.51 C ATOM 1722 O SER A 109 -7.759 5.142 6.622 1.00 0.81 O ATOM 1723 CB SER A 109 -9.168 5.087 9.550 1.00 0.75 C ATOM 1724 OG SER A 109 -9.504 6.108 10.481 1.00 0.97 O ATOM 0 H SER A 109 -7.542 7.041 7.957 1.00 0.52 H new ATOM 0 HA SER A 109 -7.034 4.801 9.731 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.867 5.112 8.714 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.275 4.112 10.025 1.00 0.75 H new ATOM 0 HG SER A 109 -10.076 6.773 10.045 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.283 3.243 7.730 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.168 2.429 6.529 1.00 0.38 C ATOM 1732 C CYS A 110 -8.448 1.614 6.366 1.00 0.36 C ATOM 1733 O CYS A 110 -9.102 1.289 7.362 1.00 0.54 O ATOM 1734 CB CYS A 110 -5.952 1.506 6.627 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.416 2.346 7.082 1.00 0.61 S ATOM 0 H CYS A 110 -7.101 2.737 8.597 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.031 3.072 5.659 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.159 0.728 7.362 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -5.810 1.008 5.668 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.500 1.462 7.347 1.00 0.61 H new ATOM 1741 N LYS A 111 -8.823 1.295 5.129 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.046 0.533 4.892 1.00 0.44 C ATOM 1743 C LYS A 111 -9.846 -0.576 3.866 1.00 0.47 C ATOM 1744 O LYS A 111 -9.860 -0.331 2.659 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.176 1.463 4.443 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.552 2.509 5.481 1.00 0.69 C ATOM 1747 CD LYS A 111 -11.953 1.867 6.805 1.00 0.79 C ATOM 1748 CE LYS A 111 -11.545 2.724 7.994 1.00 0.94 C ATOM 1749 NZ LYS A 111 -10.921 1.915 9.075 1.00 1.27 N ATOM 0 H LYS A 111 -8.306 1.548 4.287 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.317 0.061 5.837 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -10.877 1.967 3.524 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.056 0.864 4.207 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.710 3.181 5.642 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.376 3.115 5.105 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.032 1.712 6.822 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.488 0.885 6.888 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -10.844 3.491 7.665 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -12.421 3.240 8.387 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -10.689 2.531 9.880 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -11.586 1.177 9.384 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -10.052 1.470 8.718 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.639 -1.786 4.361 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.469 -2.955 3.503 1.00 0.36 C ATOM 1765 C ARG A 112 -10.385 -4.094 3.959 1.00 0.37 C ATOM 1766 O ARG A 112 -10.929 -4.828 3.136 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.010 -3.420 3.496 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.731 -4.545 2.503 1.00 0.42 C ATOM 1769 CD ARG A 112 -7.441 -5.861 3.208 1.00 0.55 C ATOM 1770 NE ARG A 112 -6.242 -5.788 4.045 1.00 0.81 N ATOM 1771 CZ ARG A 112 -5.891 -6.715 4.944 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -6.613 -7.826 5.092 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -4.817 -6.533 5.701 1.00 1.57 N ATOM 0 H ARG A 112 -9.584 -1.988 5.359 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.744 -2.670 2.487 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.368 -2.571 3.260 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.740 -3.755 4.497 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -8.589 -4.668 1.842 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.882 -4.274 1.876 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -8.296 -6.137 3.825 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.316 -6.649 2.465 1.00 0.55 H new ATOM 0 HE ARG A 112 -5.634 -4.977 3.936 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -7.442 -7.976 4.517 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -6.336 -8.526 5.780 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -4.258 -5.686 5.598 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -4.550 -7.240 6.386 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.538 -4.245 5.276 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.390 -5.290 5.818 1.00 0.43 C ATOM 1789 C GLY A 113 -12.862 -4.906 5.868 1.00 0.41 C ATOM 1790 O GLY A 113 -13.707 -5.667 5.395 1.00 0.46 O ATOM 0 H GLY A 113 -10.085 -3.659 5.977 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.277 -6.190 5.213 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.053 -5.538 6.824 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.202 -3.725 6.434 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.587 -3.263 6.558 1.00 0.50 C ATOM 1796 C PRO A 114 -15.464 -3.629 5.362 1.00 0.41 C ATOM 1797 O PRO A 114 -16.472 -4.322 5.519 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.419 -1.751 6.673 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.140 -1.585 7.418 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.260 -2.741 7.007 1.00 0.52 C ATOM 0 HA PRO A 114 -15.099 -3.727 7.401 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.373 -1.279 5.692 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.254 -1.296 7.207 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.669 -0.632 7.176 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.313 -1.591 8.494 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.512 -2.433 6.276 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.721 -3.155 7.859 1.00 0.52 H new ATOM 1808 N ARG A 115 -15.079 -3.180 4.169 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.853 -3.457 2.963 1.00 0.39 C ATOM 1810 C ARG A 115 -15.264 -2.736 1.752 1.00 0.44 C ATOM 1811 O ARG A 115 -15.600 -1.577 1.483 1.00 0.81 O ATOM 1812 CB ARG A 115 -17.316 -3.038 3.169 1.00 0.51 C ATOM 1813 CG ARG A 115 -18.146 -3.011 1.894 1.00 0.57 C ATOM 1814 CD ARG A 115 -19.102 -1.828 1.885 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.404 -0.558 2.105 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.003 0.572 2.505 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.317 0.598 2.723 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.283 1.676 2.682 1.00 1.47 N ATOM 0 H ARG A 115 -14.238 -2.624 4.013 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.811 -4.529 2.771 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.782 -3.724 3.877 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -17.337 -2.047 3.623 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.486 -2.955 1.028 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.711 -3.939 1.805 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.627 -1.793 0.930 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.857 -1.966 2.659 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.397 -0.533 1.943 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.874 -0.246 2.586 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -20.766 1.462 3.027 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.277 1.661 2.513 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -18.737 2.537 2.986 1.00 1.47 H new ATOM 1832 N THR A 116 -14.375 -3.416 1.038 1.00 0.36 N ATOM 1833 CA THR A 116 -13.762 -2.849 -0.153 1.00 0.38 C ATOM 1834 C THR A 116 -14.525 -3.294 -1.397 1.00 0.39 C ATOM 1835 O THR A 116 -14.719 -4.488 -1.624 1.00 0.51 O ATOM 1836 CB THR A 116 -12.280 -3.256 -0.285 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.553 -2.873 0.890 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.650 -2.604 -1.507 1.00 0.58 C ATOM 0 H THR A 116 -14.064 -4.361 1.264 1.00 0.36 H new ATOM 0 HA THR A 116 -13.807 -1.764 -0.059 1.00 0.38 H new ATOM 0 HB THR A 116 -12.235 -4.339 -0.400 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.591 -2.914 0.707 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.605 -2.904 -1.581 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.183 -2.920 -2.404 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.710 -1.520 -1.413 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.966 -2.325 -2.193 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.727 -2.599 -3.415 1.00 0.39 C ATOM 1848 C HIS A 117 -16.205 -1.295 -4.042 1.00 0.36 C ATOM 1849 O HIS A 117 -16.124 -1.113 -5.257 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.936 -3.496 -3.119 1.00 0.43 C ATOM 1851 CG HIS A 117 -16.752 -4.920 -3.544 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -17.119 -5.993 -2.762 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -16.239 -5.445 -4.682 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.841 -7.114 -3.399 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -16.306 -6.810 -4.566 1.00 0.89 N ATOM 0 H HIS A 117 -14.809 -1.333 -2.014 1.00 0.37 H new ATOM 0 HA HIS A 117 -15.068 -3.117 -4.111 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -17.142 -3.470 -2.049 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.812 -3.087 -3.623 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -15.850 -4.892 -5.524 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -17.021 -8.112 -3.028 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -15.993 -7.481 -5.268 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.711 -0.398 -3.202 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.201 0.896 -3.657 1.00 0.41 C ATOM 1866 C TYR A 118 -16.216 1.996 -3.273 1.00 0.39 C ATOM 1867 O TYR A 118 -15.542 1.901 -2.241 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.578 1.197 -3.048 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.583 0.076 -3.215 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.543 -1.047 -2.397 1.00 0.75 C ATOM 1871 CD2 TYR A 118 -20.571 0.140 -4.190 1.00 0.79 C ATOM 1872 CE1 TYR A 118 -20.457 -2.071 -2.547 1.00 0.87 C ATOM 1873 CE2 TYR A 118 -21.489 -0.881 -4.345 1.00 0.92 C ATOM 1874 CZ TYR A 118 -21.428 -1.985 -3.521 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.341 -3.007 -3.668 1.00 1.05 O ATOM 0 H TYR A 118 -16.792 -0.546 -2.196 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.297 0.864 -4.742 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.456 1.407 -1.985 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.978 2.101 -3.508 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -18.785 -1.120 -1.632 1.00 0.75 H new ATOM 0 HD2 TYR A 118 -20.622 1.003 -4.838 1.00 0.79 H new ATOM 0 HE1 TYR A 118 -20.411 -2.937 -1.903 1.00 0.87 H new ATOM 0 HE2 TYR A 118 -22.251 -0.815 -5.108 1.00 0.92 H new ATOM 0 HH TYR A 118 -22.959 -2.791 -4.398 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.128 3.026 -4.107 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.229 4.128 -3.837 1.00 0.39 C ATOM 1887 C GLY A 119 -13.912 3.985 -4.573 1.00 0.37 C ATOM 1888 O GLY A 119 -13.155 3.045 -4.315 1.00 0.44 O ATOM 0 H GLY A 119 -16.667 3.116 -4.969 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.706 5.064 -4.128 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.040 4.186 -2.765 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.630 4.925 -5.471 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.398 4.907 -6.265 1.00 0.38 C ATOM 1894 C GLN A 120 -11.187 4.511 -5.417 1.00 0.37 C ATOM 1895 O GLN A 120 -10.342 3.737 -5.858 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.148 6.275 -6.902 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.270 6.741 -7.820 1.00 0.64 C ATOM 1898 CD GLN A 120 -13.086 8.173 -8.282 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -12.516 8.430 -9.342 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.574 9.121 -7.495 1.00 1.00 N ATOM 0 H GLN A 120 -14.242 5.716 -5.670 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.530 4.160 -7.048 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.008 7.013 -6.112 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.219 6.236 -7.470 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.319 6.086 -8.690 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -14.223 6.651 -7.298 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -14.041 8.870 -6.623 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -13.483 10.102 -7.761 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.122 5.029 -4.190 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.014 4.733 -3.281 1.00 0.61 C ATOM 1911 C LYS A 121 -9.744 3.223 -3.200 1.00 0.58 C ATOM 1912 O LYS A 121 -8.611 2.798 -2.978 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.307 5.300 -1.878 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.030 4.334 -0.946 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.051 3.408 -0.234 1.00 1.39 C ATOM 1916 CE LYS A 121 -10.702 2.086 0.140 1.00 1.34 C ATOM 1917 NZ LYS A 121 -9.711 1.097 0.639 1.00 1.70 N ATOM 0 H LYS A 121 -11.826 5.657 -3.802 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.119 5.212 -3.678 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.365 5.596 -1.415 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -10.908 6.203 -1.983 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -11.602 4.897 -0.209 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -11.744 3.741 -1.517 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.192 3.222 -0.878 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -9.676 3.897 0.665 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.459 2.259 0.906 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.216 1.677 -0.730 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.201 0.361 1.188 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.221 0.659 -0.167 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -9.017 1.577 1.246 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.790 2.420 -3.385 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.664 0.969 -3.316 1.00 0.65 C ATOM 1933 C ALA A 122 -9.920 0.400 -4.524 1.00 0.57 C ATOM 1934 O ALA A 122 -9.354 -0.691 -4.444 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.038 0.327 -3.204 1.00 0.77 C ATOM 0 H ALA A 122 -11.734 2.752 -3.584 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.078 0.735 -2.427 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.930 -0.756 -3.153 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.534 0.685 -2.302 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.636 0.592 -4.076 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.913 1.135 -5.638 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.246 0.668 -6.852 1.00 0.48 C ATOM 1943 C ILE A 123 -8.569 1.829 -7.592 1.00 0.41 C ATOM 1944 O ILE A 123 -8.547 1.865 -8.823 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.241 -0.039 -7.813 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.267 -0.872 -7.037 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.488 -0.928 -8.791 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.475 -0.080 -6.582 1.00 0.79 C ATOM 0 H ILE A 123 -10.358 2.049 -5.723 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.488 -0.050 -6.539 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.776 0.733 -8.366 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.601 -1.698 -7.665 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.781 -1.310 -6.165 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.197 -1.417 -9.458 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.798 -0.321 -9.377 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.929 -1.683 -8.239 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -13.157 -0.735 -6.040 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.153 0.730 -5.928 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.985 0.336 -7.451 1.00 0.79 H new ATOM 1960 N LEU A 124 -8.007 2.776 -6.841 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.339 3.927 -7.445 1.00 0.29 C ATOM 1962 C LEU A 124 -6.093 4.326 -6.651 1.00 0.26 C ATOM 1963 O LEU A 124 -6.094 5.325 -5.919 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.307 5.111 -7.559 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.825 6.267 -8.445 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.586 5.789 -9.872 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -8.833 7.409 -8.423 1.00 0.58 C ATOM 0 H LEU A 124 -8.001 2.769 -5.821 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.019 3.641 -8.447 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.257 4.746 -7.950 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.502 5.498 -6.559 1.00 0.33 H new ATOM 0 HG LEU A 124 -6.879 6.634 -8.047 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.245 6.624 -10.483 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.827 5.006 -9.871 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.515 5.394 -10.284 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.476 8.221 -9.056 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.794 7.053 -8.795 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -8.951 7.770 -7.401 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.033 3.536 -6.800 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.771 3.785 -6.109 1.00 0.23 C ATOM 1981 C PHE A 125 -2.709 4.244 -7.107 1.00 0.17 C ATOM 1982 O PHE A 125 -2.576 3.658 -8.189 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.289 2.515 -5.396 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.355 1.820 -4.590 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.279 0.995 -5.210 1.00 0.41 C ATOM 1986 CD2 PHE A 125 -4.427 1.987 -3.218 1.00 0.40 C ATOM 1987 CE1 PHE A 125 -6.255 0.350 -4.478 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.401 1.343 -2.481 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.316 0.523 -3.111 1.00 0.54 C ATOM 0 H PHE A 125 -5.024 2.710 -7.399 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.933 4.567 -5.367 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.899 1.820 -6.139 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.461 2.774 -4.736 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -5.235 0.855 -6.280 1.00 0.41 H new ATOM 0 HD2 PHE A 125 -3.715 2.627 -2.719 1.00 0.40 H new ATOM 0 HE1 PHE A 125 -6.970 -0.289 -4.975 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -5.447 1.481 -1.411 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.077 0.018 -2.535 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.955 5.277 -6.742 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.910 5.819 -7.607 1.00 0.19 C ATOM 2001 C LEU A 126 0.469 5.667 -6.960 1.00 0.20 C ATOM 2002 O LEU A 126 0.841 6.441 -6.072 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.199 7.295 -7.911 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.182 7.998 -8.820 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.152 7.347 -10.197 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.510 9.480 -8.934 1.00 0.59 C ATOM 0 H LEU A 126 -2.049 5.758 -5.848 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.907 5.257 -8.541 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.183 7.366 -8.375 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.252 7.838 -6.967 1.00 0.32 H new ATOM 0 HG LEU A 126 0.808 7.896 -8.375 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.575 7.860 -10.826 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.130 6.299 -10.098 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.139 7.416 -10.654 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.220 9.965 -9.582 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.507 9.600 -9.357 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.478 9.937 -7.945 1.00 0.59 H new ATOM 2018 N PRO A 127 1.230 4.637 -7.369 1.00 0.21 N ATOM 2019 CA PRO A 127 2.561 4.373 -6.861 1.00 0.29 C ATOM 2020 C PRO A 127 3.649 4.893 -7.800 1.00 0.25 C ATOM 2021 O PRO A 127 3.413 5.058 -8.999 1.00 0.38 O ATOM 2022 CB PRO A 127 2.574 2.847 -6.828 1.00 0.42 C ATOM 2023 CG PRO A 127 1.736 2.435 -8.000 1.00 0.43 C ATOM 2024 CD PRO A 127 0.846 3.611 -8.349 1.00 0.32 C ATOM 0 HA PRO A 127 2.762 4.857 -5.905 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.589 2.458 -6.910 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.162 2.467 -5.893 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.366 2.164 -8.847 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.137 1.558 -7.755 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.013 3.951 -9.371 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.210 3.353 -8.267 1.00 0.32 H new ATOM 2032 N LEU A 128 4.836 5.144 -7.260 1.00 0.22 N ATOM 2033 CA LEU A 128 5.946 5.630 -8.076 1.00 0.21 C ATOM 2034 C LEU A 128 6.402 4.534 -9.041 1.00 0.23 C ATOM 2035 O LEU A 128 6.613 3.394 -8.626 1.00 0.26 O ATOM 2036 CB LEU A 128 7.120 6.077 -7.202 1.00 0.23 C ATOM 2037 CG LEU A 128 8.099 7.040 -7.883 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.432 8.381 -8.152 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.338 7.229 -7.028 1.00 0.37 C ATOM 0 H LEU A 128 5.055 5.021 -6.271 1.00 0.22 H new ATOM 0 HA LEU A 128 5.598 6.493 -8.644 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.726 6.556 -6.306 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.669 5.194 -6.876 1.00 0.23 H new ATOM 0 HG LEU A 128 8.398 6.606 -8.837 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.143 9.051 -8.636 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.571 8.235 -8.804 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.104 8.820 -7.210 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.023 7.916 -7.526 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.053 7.640 -6.060 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.830 6.267 -6.883 1.00 0.37 H new ATOM 2051 N PRO A 129 6.543 4.865 -10.339 1.00 0.27 N ATOM 2052 CA PRO A 129 6.962 3.925 -11.376 1.00 0.33 C ATOM 2053 C PRO A 129 7.970 2.886 -10.880 1.00 0.33 C ATOM 2054 O PRO A 129 7.755 1.686 -11.049 1.00 0.67 O ATOM 2055 CB PRO A 129 7.606 4.829 -12.437 1.00 0.45 C ATOM 2056 CG PRO A 129 7.196 6.234 -12.113 1.00 0.47 C ATOM 2057 CD PRO A 129 6.284 6.187 -10.912 1.00 0.30 C ATOM 0 HA PRO A 129 6.120 3.337 -11.741 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.691 4.730 -12.423 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.273 4.550 -13.437 1.00 0.45 H new ATOM 0 HG2 PRO A 129 8.072 6.848 -11.903 1.00 0.47 H new ATOM 0 HG3 PRO A 129 6.685 6.688 -12.962 1.00 0.47 H new ATOM 0 HD2 PRO A 129 6.512 6.983 -10.203 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.238 6.303 -11.197 1.00 0.30 H new ATOM 2065 N VAL A 130 9.056 3.359 -10.264 1.00 0.37 N ATOM 2066 CA VAL A 130 10.116 2.481 -9.750 1.00 0.35 C ATOM 2067 C VAL A 130 9.559 1.190 -9.141 1.00 0.38 C ATOM 2068 O VAL A 130 9.118 1.166 -7.989 1.00 0.57 O ATOM 2069 CB VAL A 130 10.993 3.209 -8.708 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.849 4.269 -9.380 1.00 0.47 C ATOM 2071 CG2 VAL A 130 10.137 3.834 -7.614 1.00 0.44 C ATOM 0 H VAL A 130 9.227 4.352 -10.107 1.00 0.37 H new ATOM 0 HA VAL A 130 10.731 2.212 -10.609 1.00 0.35 H new ATOM 0 HB VAL A 130 11.649 2.471 -8.246 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.460 4.772 -8.631 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.496 3.799 -10.120 1.00 0.47 H new ATOM 0 HG13 VAL A 130 11.205 4.998 -9.872 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.780 4.340 -6.894 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.450 4.555 -8.057 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.568 3.055 -7.107 1.00 0.44 H new ATOM 2081 N SER A 131 9.580 0.121 -9.933 1.00 0.34 N ATOM 2082 CA SER A 131 9.081 -1.181 -9.501 1.00 0.40 C ATOM 2083 C SER A 131 9.792 -2.304 -10.267 1.00 0.39 C ATOM 2084 O SER A 131 10.341 -2.072 -11.348 1.00 0.47 O ATOM 2085 CB SER A 131 7.566 -1.262 -9.731 1.00 0.50 C ATOM 2086 OG SER A 131 6.916 -0.061 -9.320 1.00 0.88 O ATOM 0 H SER A 131 9.941 0.133 -10.887 1.00 0.34 H new ATOM 0 HA SER A 131 9.286 -1.302 -8.437 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.365 -1.444 -10.787 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.156 -2.108 -9.178 1.00 0.50 H new ATOM 0 HG SER A 131 6.847 0.551 -10.082 1.00 0.88 H new ATOM 2092 N SER A 132 9.790 -3.509 -9.707 1.00 0.48 N ATOM 2093 CA SER A 132 10.440 -4.653 -10.336 1.00 0.54 C ATOM 2094 C SER A 132 9.522 -5.334 -11.353 1.00 0.49 C ATOM 2095 O SER A 132 8.361 -5.623 -11.058 1.00 0.96 O ATOM 2096 CB SER A 132 10.875 -5.664 -9.270 1.00 0.76 C ATOM 2097 OG SER A 132 11.771 -5.076 -8.335 1.00 1.03 O ATOM 0 H SER A 132 9.343 -3.719 -8.814 1.00 0.48 H new ATOM 0 HA SER A 132 11.317 -4.284 -10.868 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.998 -6.044 -8.747 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.355 -6.517 -9.749 1.00 0.76 H new ATOM 0 HG SER A 132 12.668 -5.451 -8.461 1.00 1.03 H new ATOM 2103 N ASP A 133 10.052 -5.583 -12.547 1.00 0.56 N ATOM 2104 CA ASP A 133 9.297 -6.241 -13.607 1.00 0.58 C ATOM 2105 C ASP A 133 9.688 -7.713 -13.684 1.00 0.63 C ATOM 2106 O ASP A 133 10.896 -8.002 -13.835 1.00 0.80 O ATOM 2107 CB ASP A 133 9.539 -5.551 -14.957 1.00 0.80 C ATOM 2108 CG ASP A 133 9.108 -6.401 -16.142 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.937 -6.292 -16.564 1.00 1.06 O ATOM 2110 OD2 ASP A 133 9.939 -7.169 -16.668 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.796 -8.573 -13.567 1.00 0.75 O ATOM 0 H ASP A 133 11.008 -5.337 -12.805 1.00 0.56 H new ATOM 0 HA ASP A 133 8.234 -6.167 -13.376 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.997 -4.606 -14.978 1.00 0.80 H new ATOM 0 HB3 ASP A 133 10.598 -5.313 -15.053 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -15.974 4.229 4.067 1.00 3.43 C HETATM 2118 C2 IHP A 134 -15.983 3.878 2.570 1.00 3.47 C HETATM 2119 C3 IHP A 134 -16.712 4.991 1.775 1.00 3.73 C HETATM 2120 C4 IHP A 134 -15.968 6.314 1.976 1.00 3.79 C HETATM 2121 C5 IHP A 134 -15.929 6.682 3.470 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.242 5.573 4.277 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.302 3.206 4.814 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.089 2.421 5.993 1.00 4.66 P HETATM 2125 O21 IHP A 134 -17.346 1.781 5.538 1.00 4.95 O HETATM 2126 O31 IHP A 134 -16.373 3.512 7.134 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.073 1.352 6.622 1.00 5.52 O HETATM 2128 O12 IHP A 134 -14.674 3.730 2.057 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.202 2.336 1.396 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.194 1.688 2.265 1.00 4.60 O HETATM 2131 O32 IHP A 134 -15.513 1.420 1.242 1.00 4.76 O HETATM 2132 O42 IHP A 134 -13.625 2.703 -0.047 1.00 4.45 O HETATM 2133 O13 IHP A 134 -16.717 4.670 0.382 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.100 4.532 -0.436 1.00 5.22 P HETATM 2135 O23 IHP A 134 -18.988 5.662 -0.078 1.00 5.53 O HETATM 2136 O33 IHP A 134 -18.724 3.115 -0.005 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.768 4.524 -2.008 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.646 7.362 1.269 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.910 8.209 0.109 1.00 5.38 P HETATM 2140 O24 IHP A 134 -16.324 7.707 -1.222 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.340 7.997 0.373 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.276 9.760 0.309 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.212 7.897 3.651 1.00 4.36 O HETATM 2144 P5 IHP A 134 -15.911 9.179 4.321 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.103 9.559 3.532 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.313 8.761 5.827 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.821 10.352 4.361 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.225 5.947 5.667 1.00 4.02 O HETATM 2149 P6 IHP A 134 -13.842 6.159 6.474 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.073 6.545 7.893 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.092 7.326 5.656 1.00 4.84 O HETATM 2152 O46 IHP A 134 -12.989 4.810 6.366 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.215 5.446 3.934 1.00 3.46 H new HETATM 0 H5 IHP A 134 -16.954 6.801 3.821 1.00 3.74 H new HETATM 0 H4 IHP A 134 -14.952 6.199 1.599 1.00 3.79 H new HETATM 0 H3 IHP A 134 -17.739 5.076 2.131 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.504 2.927 2.460 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.004 4.308 4.415 1.00 3.43 H new