USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD NoAdj-H: A 125 HIS HE2 : A 125 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD Set 1.1: A 108 ASN : amide:sc= 0.0649 K(o=1.3,f=-7.3!) USER MOD Set 1.2: A 137 LYS NZ :NH3+ -163:sc= 1.2 (180deg=1.16) USER MOD Set 2.1: A -1 HIS : no HE2:sc= -0.0449 K(o=0.05,f=-0.87) USER MOD Set 2.2: A -3 HIS : no HE2:sc= 0.0954 X(o=0.05,f=-0.16) USER MOD Single : A -2 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A -5 HIS : no HD1:sc= -2.13! X(o=-2.1!,f=-2) USER MOD Single : A -6 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A -8 MET CE :methyl 170:sc= -0.0124 (180deg=-0.183) USER MOD Single : A -8 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.818 K(o=-0.82,f=-2.3) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.23) USER MOD Single : A 63 ASN : amide:sc= 0.164 K(o=0.16,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ 136:sc= 0.0382 (180deg=-0.198) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 1.73 (180deg=1.61) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 131:sc= -2.11! USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.794) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0213 USER MOD Single : A 75 CYS SG : rot -99:sc= -5.6! USER MOD Single : A 76 THR OG1 : rot 29:sc= 2.32 USER MOD Single : A 78 GLN : amide:sc= -2.08 K(o=-2.1,f=-4.3!) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0629 F(o=-0.83!,f=-0.063) USER MOD Single : A 84 MET CE :methyl -167:sc= -0.0291 (180deg=-0.276) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.257 K(o=0.26,f=-4.6!) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 3:sc= 0.0426 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -161:sc= -5.59! USER MOD Single : A 107 CYS SG : rot 45:sc= -5.89! USER MOD Single : A 111 THR OG1 : rot -107:sc= -0.667 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -4.93! C(o=-4.9!,f=-7.3!) USER MOD Single : A 123 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.856) USER MOD Single : A 124 TYR OH : rot -164:sc= -1.87 USER MOD Single : A 130 ASN :FLIP amide:sc= -0.529 F(o=-3.4!,f=-0.53) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 164:sc= -0.0999 (180deg=-0.489) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= 0.0659 X(o=0.066,f=0) USER MOD Single : A 141 GLN : amide:sc= -4.59! C(o=-4.6!,f=-8.2!) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0025 USER MOD Single : A 146 GLN : amide:sc= -1.21! X(o=-1.2!,f=-0.73) USER MOD Single : A 147 THR OG1 : rot -159:sc= -2.93! USER MOD Single : A 149 ASN :FLIP amide:sc= -3.18! C(o=-4.9!,f=-3.2!) USER MOD Single : A 152 THR OG1 : rot -61:sc= 0.46 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 -13.569 16.625 -4.199 1.00 11.14 N ATOM 2 CA MET A -8 -14.453 17.244 -3.207 1.00 33.11 C ATOM 3 C MET A -8 -15.732 17.787 -3.839 1.00 51.24 C ATOM 4 O MET A -8 -16.834 17.327 -3.513 1.00 73.03 O ATOM 5 CB MET A -8 -13.725 18.350 -2.417 1.00 63.42 C ATOM 6 CG MET A -8 -14.617 19.123 -1.438 1.00 2.25 C ATOM 7 SD MET A -8 -15.441 18.084 -0.205 1.00 64.34 S ATOM 8 CE MET A -8 -14.037 17.396 0.681 1.00 4.51 C ATOM 0 H1 MET A -8 -12.713 16.270 -3.727 1.00 11.14 H new ATOM 0 H2 MET A -8 -14.064 15.835 -4.660 1.00 11.14 H new ATOM 0 H3 MET A -8 -13.302 17.331 -4.915 1.00 11.14 H new ATOM 0 HA MET A -8 -14.740 16.458 -2.508 1.00 33.11 H new ATOM 0 HB2 MET A -8 -12.902 17.901 -1.862 1.00 63.42 H new ATOM 0 HB3 MET A -8 -13.286 19.055 -3.123 1.00 63.42 H new ATOM 0 HG2 MET A -8 -14.011 19.868 -0.922 1.00 2.25 H new ATOM 0 HG3 MET A -8 -15.374 19.665 -2.004 1.00 2.25 H new ATOM 0 HE1 MET A -8 -14.388 16.881 1.575 1.00 4.51 H new ATOM 0 HE2 MET A -8 -13.512 16.690 0.038 1.00 4.51 H new ATOM 0 HE3 MET A -8 -13.359 18.199 0.968 1.00 4.51 H new ATOM 17 N ALA A -7 -15.597 18.754 -4.735 1.00 10.20 N ATOM 18 CA ALA A -7 -16.743 19.398 -5.341 1.00 65.32 C ATOM 19 C ALA A -7 -17.289 18.570 -6.490 1.00 3.14 C ATOM 20 O ALA A -7 -16.543 18.195 -7.406 1.00 62.44 O ATOM 21 CB ALA A -7 -16.382 20.798 -5.801 1.00 52.03 C ATOM 0 H ALA A -7 -14.697 19.109 -5.057 1.00 10.20 H new ATOM 0 HA ALA A -7 -17.528 19.477 -4.589 1.00 65.32 H new ATOM 0 HB1 ALA A -7 -17.255 21.268 -6.254 1.00 52.03 H new ATOM 0 HB2 ALA A -7 -16.055 21.389 -4.946 1.00 52.03 H new ATOM 0 HB3 ALA A -7 -15.577 20.744 -6.534 1.00 52.03 H new ATOM 27 N HIS A -6 -18.585 18.293 -6.413 1.00 20.12 N ATOM 28 CA HIS A -6 -19.335 17.496 -7.387 1.00 63.24 C ATOM 29 C HIS A -6 -19.014 16.012 -7.267 1.00 11.34 C ATOM 30 O HIS A -6 -17.851 15.589 -7.329 1.00 60.21 O ATOM 31 CB HIS A -6 -19.190 18.007 -8.853 1.00 60.43 C ATOM 32 CG HIS A -6 -19.900 17.148 -9.880 1.00 24.00 C ATOM 33 ND1 HIS A -6 -21.262 17.151 -10.078 1.00 72.11 N ATOM 34 CD2 HIS A -6 -19.406 16.220 -10.737 1.00 73.44 C ATOM 35 CE1 HIS A -6 -21.550 16.253 -11.015 1.00 5.42 C ATOM 36 NE2 HIS A -6 -20.457 15.654 -11.454 1.00 2.13 N ATOM 0 H HIS A -6 -19.167 18.627 -5.645 1.00 20.12 H new ATOM 0 HA HIS A -6 -20.387 17.628 -7.134 1.00 63.24 H new ATOM 0 HB2 HIS A -6 -19.580 19.023 -8.913 1.00 60.43 H new ATOM 0 HB3 HIS A -6 -18.131 18.057 -9.106 1.00 60.43 H new ATOM 0 HD2 HIS A -6 -18.363 15.961 -10.846 1.00 73.44 H new ATOM 0 HE1 HIS A -6 -22.547 16.041 -11.371 1.00 5.42 H new ATOM 0 HE2 HIS A -6 -20.396 14.929 -12.169 1.00 2.13 H new ATOM 44 N HIS A -5 -20.033 15.235 -7.085 1.00 32.21 N ATOM 45 CA HIS A -5 -19.884 13.821 -6.987 1.00 34.23 C ATOM 46 C HIS A -5 -20.867 13.172 -7.947 1.00 3.12 C ATOM 47 O HIS A -5 -20.458 12.582 -8.959 1.00 43.34 O ATOM 48 CB HIS A -5 -20.128 13.367 -5.533 1.00 23.13 C ATOM 49 CG HIS A -5 -19.828 11.919 -5.250 1.00 23.42 C ATOM 50 ND1 HIS A -5 -18.655 11.478 -4.678 1.00 40.43 N ATOM 51 CD2 HIS A -5 -20.592 10.815 -5.425 1.00 62.22 C ATOM 52 CE1 HIS A -5 -18.739 10.159 -4.518 1.00 41.05 C ATOM 53 NE2 HIS A -5 -19.902 9.700 -4.962 1.00 32.32 N ATOM 0 H HIS A -5 -20.994 15.565 -7.000 1.00 32.21 H new ATOM 0 HA HIS A -5 -18.872 13.520 -7.256 1.00 34.23 H new ATOM 0 HB2 HIS A -5 -19.519 13.983 -4.871 1.00 23.13 H new ATOM 0 HB3 HIS A -5 -21.170 13.561 -5.280 1.00 23.13 H new ATOM 0 HD2 HIS A -5 -21.582 10.802 -5.856 1.00 62.22 H new ATOM 0 HE1 HIS A -5 -17.964 9.545 -4.085 1.00 41.05 H new ATOM 0 HE2 HIS A -5 -20.223 8.732 -4.963 1.00 32.32 H new ATOM 61 N HIS A -4 -22.162 13.344 -7.638 1.00 53.00 N ATOM 62 CA HIS A -4 -23.322 12.810 -8.383 1.00 41.24 C ATOM 63 C HIS A -4 -23.341 11.277 -8.368 1.00 54.14 C ATOM 64 O HIS A -4 -24.284 10.666 -7.875 1.00 35.04 O ATOM 65 CB HIS A -4 -23.411 13.378 -9.818 1.00 43.43 C ATOM 66 CG HIS A -4 -24.682 13.015 -10.542 1.00 33.15 C ATOM 67 ND1 HIS A -4 -24.737 12.179 -11.628 1.00 40.31 N ATOM 68 CD2 HIS A -4 -25.961 13.410 -10.313 1.00 54.14 C ATOM 69 CE1 HIS A -4 -26.006 12.087 -12.024 1.00 61.33 C ATOM 70 NE2 HIS A -4 -26.800 12.818 -11.254 1.00 54.20 N ATOM 0 H HIS A -4 -22.447 13.886 -6.822 1.00 53.00 H new ATOM 0 HA HIS A -4 -24.218 13.150 -7.863 1.00 41.24 H new ATOM 0 HB2 HIS A -4 -23.327 14.464 -9.774 1.00 43.43 H new ATOM 0 HB3 HIS A -4 -22.560 13.016 -10.395 1.00 43.43 H new ATOM 0 HD2 HIS A -4 -26.278 14.078 -9.525 1.00 54.14 H new ATOM 0 HE1 HIS A -4 -26.343 11.495 -12.862 1.00 61.33 H new ATOM 0 HE2 HIS A -4 -27.811 12.924 -11.334 1.00 54.20 H new ATOM 78 N HIS A -3 -22.317 10.690 -8.905 1.00 23.34 N ATOM 79 CA HIS A -3 -22.103 9.274 -8.921 1.00 3.34 C ATOM 80 C HIS A -3 -20.653 9.025 -9.281 1.00 32.12 C ATOM 81 O HIS A -3 -20.290 8.969 -10.455 1.00 34.43 O ATOM 82 CB HIS A -3 -23.065 8.535 -9.896 1.00 33.35 C ATOM 83 CG HIS A -3 -22.812 7.044 -10.019 1.00 44.31 C ATOM 84 ND1 HIS A -3 -22.750 6.378 -11.219 1.00 71.54 N ATOM 85 CD2 HIS A -3 -22.589 6.103 -9.061 1.00 2.33 C ATOM 86 CE1 HIS A -3 -22.494 5.091 -10.972 1.00 41.22 C ATOM 87 NE2 HIS A -3 -22.385 4.866 -9.674 1.00 23.31 N ATOM 0 H HIS A -3 -21.571 11.210 -9.367 1.00 23.34 H new ATOM 0 HA HIS A -3 -22.323 8.869 -7.933 1.00 3.34 H new ATOM 0 HB2 HIS A -3 -24.091 8.690 -9.562 1.00 33.35 H new ATOM 0 HB3 HIS A -3 -22.980 8.988 -10.884 1.00 33.35 H new ATOM 0 HD1 HIS A -3 -22.878 6.795 -12.141 1.00 71.54 H new ATOM 0 HD2 HIS A -3 -22.573 6.285 -7.997 1.00 2.33 H new ATOM 0 HE1 HIS A -3 -22.390 4.332 -11.734 1.00 41.22 H new ATOM 95 N HIS A -2 -19.819 8.971 -8.287 1.00 74.11 N ATOM 96 CA HIS A -2 -18.430 8.685 -8.511 1.00 75.31 C ATOM 97 C HIS A -2 -18.240 7.194 -8.397 1.00 75.10 C ATOM 98 O HIS A -2 -18.217 6.635 -7.295 1.00 64.32 O ATOM 99 CB HIS A -2 -17.525 9.453 -7.518 1.00 3.43 C ATOM 100 CG HIS A -2 -16.033 9.201 -7.645 1.00 5.14 C ATOM 101 ND1 HIS A -2 -15.130 10.119 -8.132 1.00 33.21 N ATOM 102 CD2 HIS A -2 -15.296 8.117 -7.284 1.00 55.44 C ATOM 103 CE1 HIS A -2 -13.910 9.581 -8.061 1.00 2.03 C ATOM 104 NE2 HIS A -2 -13.957 8.362 -7.550 1.00 14.21 N ATOM 0 H HIS A -2 -20.074 9.121 -7.311 1.00 74.11 H new ATOM 0 HA HIS A -2 -18.138 9.020 -9.506 1.00 75.31 H new ATOM 0 HB2 HIS A -2 -17.705 10.521 -7.644 1.00 3.43 H new ATOM 0 HB3 HIS A -2 -17.832 9.196 -6.504 1.00 3.43 H new ATOM 0 HD2 HIS A -2 -15.691 7.207 -6.857 1.00 55.44 H new ATOM 0 HE1 HIS A -2 -13.004 10.076 -8.379 1.00 2.03 H new ATOM 0 HE2 HIS A -2 -13.171 7.733 -7.386 1.00 14.21 H new ATOM 112 N HIS A -1 -18.183 6.552 -9.515 1.00 22.11 N ATOM 113 CA HIS A -1 -17.958 5.155 -9.543 1.00 31.44 C ATOM 114 C HIS A -1 -16.460 4.977 -9.665 1.00 50.32 C ATOM 115 O HIS A -1 -15.852 5.463 -10.626 1.00 30.12 O ATOM 116 CB HIS A -1 -18.695 4.529 -10.729 1.00 5.51 C ATOM 117 CG HIS A -1 -18.928 3.061 -10.586 1.00 64.04 C ATOM 118 ND1 HIS A -1 -20.055 2.530 -10.004 1.00 61.43 N ATOM 119 CD2 HIS A -1 -18.164 2.006 -10.953 1.00 12.32 C ATOM 120 CE1 HIS A -1 -19.949 1.206 -10.025 1.00 30.43 C ATOM 121 NE2 HIS A -1 -18.815 0.828 -10.596 1.00 12.14 N ATOM 0 H HIS A -1 -18.292 6.985 -10.432 1.00 22.11 H new ATOM 0 HA HIS A -1 -18.333 4.661 -8.646 1.00 31.44 H new ATOM 0 HB2 HIS A -1 -19.655 5.030 -10.853 1.00 5.51 H new ATOM 0 HB3 HIS A -1 -18.121 4.710 -11.638 1.00 5.51 H new ATOM 0 HD1 HIS A -1 -20.838 3.061 -9.622 1.00 61.43 H new ATOM 0 HD2 HIS A -1 -17.204 2.068 -11.444 1.00 12.32 H new ATOM 0 HE1 HIS A -1 -20.690 0.527 -9.629 1.00 30.43 H new ATOM 129 N ASN A 60 -15.856 4.356 -8.686 1.00 61.33 N ATOM 130 CA ASN A 60 -14.401 4.227 -8.654 1.00 31.00 C ATOM 131 C ASN A 60 -13.965 2.892 -9.210 1.00 50.12 C ATOM 132 O ASN A 60 -12.804 2.536 -9.115 1.00 44.43 O ATOM 133 CB ASN A 60 -13.854 4.415 -7.212 1.00 43.31 C ATOM 134 CG ASN A 60 -14.103 3.235 -6.259 1.00 73.12 C ATOM 135 OD1 ASN A 60 -15.045 2.468 -6.409 1.00 11.23 O ATOM 136 ND2 ASN A 60 -13.264 3.106 -5.267 1.00 51.33 N ATOM 0 H ASN A 60 -16.338 3.928 -7.895 1.00 61.33 H new ATOM 0 HA ASN A 60 -13.986 5.015 -9.283 1.00 31.00 H new ATOM 0 HB2 ASN A 60 -12.781 4.596 -7.268 1.00 43.31 H new ATOM 0 HB3 ASN A 60 -14.306 5.309 -6.783 1.00 43.31 H new ATOM 0 HD21 ASN A 60 -13.385 2.351 -4.592 1.00 51.33 H new ATOM 0 HD22 ASN A 60 -12.488 3.760 -5.167 1.00 51.33 H new ATOM 143 N GLN A 61 -14.934 2.147 -9.776 1.00 14.34 N ATOM 144 CA GLN A 61 -14.739 0.803 -10.386 1.00 41.21 C ATOM 145 C GLN A 61 -14.016 -0.161 -9.448 1.00 53.50 C ATOM 146 O GLN A 61 -13.300 -1.075 -9.887 1.00 23.00 O ATOM 147 CB GLN A 61 -14.099 0.847 -11.814 1.00 35.44 C ATOM 148 CG GLN A 61 -12.739 1.519 -11.932 1.00 60.02 C ATOM 149 CD GLN A 61 -12.171 1.439 -13.324 1.00 51.50 C ATOM 150 OE1 GLN A 61 -11.436 0.506 -13.661 1.00 50.05 O ATOM 151 NE2 GLN A 61 -12.495 2.396 -14.144 1.00 73.34 N ATOM 0 H GLN A 61 -15.902 2.465 -9.827 1.00 14.34 H new ATOM 0 HA GLN A 61 -15.742 0.403 -10.535 1.00 41.21 H new ATOM 0 HB2 GLN A 61 -14.006 -0.177 -12.177 1.00 35.44 H new ATOM 0 HB3 GLN A 61 -14.791 1.360 -12.482 1.00 35.44 H new ATOM 0 HG2 GLN A 61 -12.829 2.565 -11.640 1.00 60.02 H new ATOM 0 HG3 GLN A 61 -12.045 1.051 -11.233 1.00 60.02 H new ATOM 0 HE21 GLN A 61 -13.105 3.151 -13.831 1.00 73.34 H new ATOM 0 HE22 GLN A 61 -12.139 2.391 -15.100 1.00 73.34 H new ATOM 160 N GLN A 62 -14.265 0.039 -8.146 1.00 63.03 N ATOM 161 CA GLN A 62 -13.692 -0.762 -7.064 1.00 13.30 C ATOM 162 C GLN A 62 -12.185 -0.556 -6.952 1.00 44.23 C ATOM 163 O GLN A 62 -11.448 -1.430 -6.483 1.00 34.30 O ATOM 164 CB GLN A 62 -14.069 -2.250 -7.187 1.00 35.21 C ATOM 165 CG GLN A 62 -15.572 -2.514 -7.098 1.00 3.14 C ATOM 166 CD GLN A 62 -16.185 -1.977 -5.813 1.00 30.02 C ATOM 167 OE1 GLN A 62 -16.243 -2.664 -4.798 1.00 24.13 O ATOM 168 NE2 GLN A 62 -16.660 -0.755 -5.843 1.00 60.55 N ATOM 0 H GLN A 62 -14.884 0.778 -7.813 1.00 63.03 H new ATOM 0 HA GLN A 62 -14.132 -0.407 -6.132 1.00 13.30 H new ATOM 0 HB2 GLN A 62 -13.698 -2.632 -8.138 1.00 35.21 H new ATOM 0 HB3 GLN A 62 -13.564 -2.810 -6.400 1.00 35.21 H new ATOM 0 HG2 GLN A 62 -16.069 -2.055 -7.953 1.00 3.14 H new ATOM 0 HG3 GLN A 62 -15.753 -3.587 -7.162 1.00 3.14 H new ATOM 0 HE21 GLN A 62 -16.599 -0.205 -6.700 1.00 60.55 H new ATOM 0 HE22 GLN A 62 -17.090 -0.354 -5.009 1.00 60.55 H new ATOM 177 N ASN A 63 -11.743 0.607 -7.376 1.00 50.34 N ATOM 178 CA ASN A 63 -10.362 1.029 -7.249 1.00 60.33 C ATOM 179 C ASN A 63 -10.336 2.405 -6.615 1.00 60.22 C ATOM 180 O ASN A 63 -10.683 3.406 -7.248 1.00 31.35 O ATOM 181 CB ASN A 63 -9.660 1.072 -8.616 1.00 75.40 C ATOM 182 CG ASN A 63 -8.217 1.562 -8.533 1.00 3.01 C ATOM 183 OD1 ASN A 63 -7.525 1.365 -7.531 1.00 73.11 O ATOM 184 ND2 ASN A 63 -7.757 2.196 -9.578 1.00 72.53 N ATOM 0 H ASN A 63 -12.342 1.299 -7.827 1.00 50.34 H new ATOM 0 HA ASN A 63 -9.828 0.310 -6.627 1.00 60.33 H new ATOM 0 HB2 ASN A 63 -9.674 0.075 -9.056 1.00 75.40 H new ATOM 0 HB3 ASN A 63 -10.221 1.724 -9.285 1.00 75.40 H new ATOM 0 HD21 ASN A 63 -6.799 2.545 -9.582 1.00 72.53 H new ATOM 0 HD22 ASN A 63 -8.356 2.342 -10.391 1.00 72.53 H new ATOM 191 N LYS A 64 -10.008 2.447 -5.358 1.00 5.10 N ATOM 192 CA LYS A 64 -9.924 3.680 -4.625 1.00 24.23 C ATOM 193 C LYS A 64 -8.643 4.366 -5.001 1.00 14.51 C ATOM 194 O LYS A 64 -8.654 5.522 -5.419 1.00 21.43 O ATOM 195 CB LYS A 64 -9.923 3.399 -3.119 1.00 12.22 C ATOM 196 CG LYS A 64 -9.879 4.646 -2.254 1.00 22.35 C ATOM 197 CD LYS A 64 -9.723 4.293 -0.786 1.00 43.12 C ATOM 198 CE LYS A 64 -9.734 5.537 0.090 1.00 74.34 C ATOM 199 NZ LYS A 64 -11.044 6.217 0.059 1.00 24.00 N ATOM 0 H LYS A 64 -9.788 1.619 -4.805 1.00 5.10 H new ATOM 0 HA LYS A 64 -10.781 4.310 -4.865 1.00 24.23 H new ATOM 0 HB2 LYS A 64 -10.816 2.827 -2.867 1.00 12.22 H new ATOM 0 HB3 LYS A 64 -9.064 2.773 -2.878 1.00 12.22 H new ATOM 0 HG2 LYS A 64 -9.050 5.280 -2.568 1.00 22.35 H new ATOM 0 HG3 LYS A 64 -10.793 5.223 -2.397 1.00 22.35 H new ATOM 0 HD2 LYS A 64 -10.530 3.626 -0.483 1.00 43.12 H new ATOM 0 HD3 LYS A 64 -8.789 3.751 -0.638 1.00 43.12 H new ATOM 0 HE2 LYS A 64 -9.492 5.261 1.116 1.00 74.34 H new ATOM 0 HE3 LYS A 64 -8.959 6.226 -0.246 1.00 74.34 H new ATOM 0 HZ1 LYS A 64 -11.315 6.493 1.024 1.00 24.00 H new ATOM 0 HZ2 LYS A 64 -10.981 7.065 -0.539 1.00 24.00 H new ATOM 0 HZ3 LYS A 64 -11.761 5.572 -0.330 1.00 24.00 H new ATOM 213 N LYS A 65 -7.560 3.614 -4.913 1.00 35.45 N ATOM 214 CA LYS A 65 -6.220 4.075 -5.186 1.00 13.05 C ATOM 215 C LYS A 65 -5.746 5.067 -4.111 1.00 44.24 C ATOM 216 O LYS A 65 -6.458 6.009 -3.742 1.00 64.35 O ATOM 217 CB LYS A 65 -6.048 4.581 -6.664 1.00 12.02 C ATOM 218 CG LYS A 65 -4.617 4.979 -7.079 1.00 3.52 C ATOM 219 CD LYS A 65 -4.228 6.341 -6.543 1.00 2.15 C ATOM 220 CE LYS A 65 -2.778 6.673 -6.800 1.00 32.53 C ATOM 221 NZ LYS A 65 -2.445 8.014 -6.270 1.00 72.43 N ATOM 0 H LYS A 65 -7.596 2.632 -4.640 1.00 35.45 H new ATOM 0 HA LYS A 65 -5.546 3.221 -5.117 1.00 13.05 H new ATOM 0 HB2 LYS A 65 -6.396 3.798 -7.338 1.00 12.02 H new ATOM 0 HB3 LYS A 65 -6.700 5.442 -6.811 1.00 12.02 H new ATOM 0 HG2 LYS A 65 -3.913 4.231 -6.714 1.00 3.52 H new ATOM 0 HG3 LYS A 65 -4.543 4.983 -8.166 1.00 3.52 H new ATOM 0 HD2 LYS A 65 -4.858 7.102 -7.003 1.00 2.15 H new ATOM 0 HD3 LYS A 65 -4.420 6.374 -5.471 1.00 2.15 H new ATOM 0 HE2 LYS A 65 -2.140 5.923 -6.332 1.00 32.53 H new ATOM 0 HE3 LYS A 65 -2.577 6.640 -7.871 1.00 32.53 H new ATOM 0 HZ1 LYS A 65 -1.418 8.168 -6.334 1.00 72.43 H new ATOM 0 HZ2 LYS A 65 -2.939 8.740 -6.827 1.00 72.43 H new ATOM 0 HZ3 LYS A 65 -2.743 8.078 -5.276 1.00 72.43 H new ATOM 235 N VAL A 66 -4.564 4.769 -3.589 1.00 11.14 N ATOM 236 CA VAL A 66 -3.855 5.530 -2.579 1.00 33.50 C ATOM 237 C VAL A 66 -4.094 7.042 -2.630 1.00 74.31 C ATOM 238 O VAL A 66 -3.858 7.717 -3.661 1.00 71.52 O ATOM 239 CB VAL A 66 -2.324 5.152 -2.565 1.00 13.43 C ATOM 240 CG1 VAL A 66 -1.391 6.358 -2.726 1.00 31.12 C ATOM 241 CG2 VAL A 66 -2.011 4.429 -1.278 1.00 44.15 C ATOM 0 H VAL A 66 -4.047 3.939 -3.879 1.00 11.14 H new ATOM 0 HA VAL A 66 -4.287 5.235 -1.623 1.00 33.50 H new ATOM 0 HB VAL A 66 -2.143 4.512 -3.429 1.00 13.43 H new ATOM 0 HG11 VAL A 66 -0.354 6.021 -2.707 1.00 31.12 H new ATOM 0 HG12 VAL A 66 -1.595 6.851 -3.676 1.00 31.12 H new ATOM 0 HG13 VAL A 66 -1.559 7.060 -1.909 1.00 31.12 H new ATOM 0 HG21 VAL A 66 -0.954 4.163 -1.258 1.00 44.15 H new ATOM 0 HG22 VAL A 66 -2.238 5.078 -0.432 1.00 44.15 H new ATOM 0 HG23 VAL A 66 -2.614 3.524 -1.213 1.00 44.15 H new ATOM 251 N GLU A 67 -4.656 7.538 -1.551 1.00 52.33 N ATOM 252 CA GLU A 67 -4.882 8.938 -1.404 1.00 14.13 C ATOM 253 C GLU A 67 -4.344 9.458 -0.074 1.00 34.52 C ATOM 254 O GLU A 67 -3.880 10.586 -0.006 1.00 5.45 O ATOM 255 CB GLU A 67 -6.354 9.288 -1.602 1.00 41.14 C ATOM 256 CG GLU A 67 -7.292 8.527 -0.700 1.00 1.43 C ATOM 257 CD GLU A 67 -8.732 8.881 -0.941 1.00 41.30 C ATOM 258 OE1 GLU A 67 -9.231 9.852 -0.339 1.00 71.01 O ATOM 259 OE2 GLU A 67 -9.398 8.196 -1.730 1.00 62.14 O ATOM 0 H GLU A 67 -4.965 6.975 -0.759 1.00 52.33 H new ATOM 0 HA GLU A 67 -4.323 9.445 -2.191 1.00 14.13 H new ATOM 0 HB2 GLU A 67 -6.489 10.356 -1.431 1.00 41.14 H new ATOM 0 HB3 GLU A 67 -6.627 9.094 -2.639 1.00 41.14 H new ATOM 0 HG2 GLU A 67 -7.153 7.457 -0.855 1.00 1.43 H new ATOM 0 HG3 GLU A 67 -7.039 8.734 0.340 1.00 1.43 H new ATOM 266 N GLY A 68 -4.402 8.653 0.984 1.00 13.45 N ATOM 267 CA GLY A 68 -3.834 9.129 2.227 1.00 62.21 C ATOM 268 C GLY A 68 -3.373 8.048 3.165 1.00 12.30 C ATOM 269 O GLY A 68 -2.303 8.155 3.751 1.00 31.21 O ATOM 0 H GLY A 68 -4.814 7.720 1.004 1.00 13.45 H new ATOM 0 HA2 GLY A 68 -2.988 9.777 1.999 1.00 62.21 H new ATOM 0 HA3 GLY A 68 -4.576 9.742 2.738 1.00 62.21 H new ATOM 273 N GLY A 69 -4.153 7.019 3.318 1.00 62.23 N ATOM 274 CA GLY A 69 -3.777 5.946 4.212 1.00 12.32 C ATOM 275 C GLY A 69 -3.064 4.816 3.531 1.00 72.14 C ATOM 276 O GLY A 69 -2.393 5.005 2.533 1.00 20.14 O ATOM 0 H GLY A 69 -5.047 6.893 2.844 1.00 62.23 H new ATOM 0 HA2 GLY A 69 -3.137 6.347 4.998 1.00 12.32 H new ATOM 0 HA3 GLY A 69 -4.673 5.559 4.698 1.00 12.32 H new ATOM 280 N TYR A 70 -3.256 3.631 4.025 1.00 33.11 N ATOM 281 CA TYR A 70 -2.606 2.473 3.477 1.00 34.12 C ATOM 282 C TYR A 70 -3.631 1.643 2.793 1.00 42.42 C ATOM 283 O TYR A 70 -4.613 1.215 3.411 1.00 31.54 O ATOM 284 CB TYR A 70 -1.933 1.668 4.578 1.00 3.31 C ATOM 285 CG TYR A 70 -1.137 2.520 5.530 1.00 73.54 C ATOM 286 CD1 TYR A 70 -0.090 3.314 5.082 1.00 0.01 C ATOM 287 CD2 TYR A 70 -1.472 2.568 6.868 1.00 71.53 C ATOM 288 CE1 TYR A 70 0.603 4.124 5.952 1.00 64.22 C ATOM 289 CE2 TYR A 70 -0.801 3.373 7.740 1.00 1.14 C ATOM 290 CZ TYR A 70 0.246 4.156 7.280 1.00 61.14 C ATOM 291 OH TYR A 70 0.928 4.980 8.144 1.00 41.54 O ATOM 0 H TYR A 70 -3.866 3.436 4.819 1.00 33.11 H new ATOM 0 HA TYR A 70 -1.837 2.783 2.769 1.00 34.12 H new ATOM 0 HB2 TYR A 70 -2.693 1.122 5.137 1.00 3.31 H new ATOM 0 HB3 TYR A 70 -1.275 0.926 4.127 1.00 3.31 H new ATOM 0 HD1 TYR A 70 0.184 3.296 4.037 1.00 0.01 H new ATOM 0 HD2 TYR A 70 -2.283 1.955 7.232 1.00 71.53 H new ATOM 0 HE1 TYR A 70 1.422 4.731 5.595 1.00 64.22 H new ATOM 0 HE2 TYR A 70 -1.083 3.400 8.782 1.00 1.14 H new ATOM 0 HH TYR A 70 0.555 4.889 9.046 1.00 41.54 H new ATOM 301 N GLU A 71 -3.458 1.486 1.526 1.00 43.43 N ATOM 302 CA GLU A 71 -4.334 0.693 0.736 1.00 3.11 C ATOM 303 C GLU A 71 -3.602 -0.564 0.411 1.00 13.15 C ATOM 304 O GLU A 71 -2.484 -0.507 -0.079 1.00 63.12 O ATOM 305 CB GLU A 71 -4.677 1.401 -0.556 1.00 61.30 C ATOM 306 CG GLU A 71 -5.699 0.664 -1.418 1.00 45.20 C ATOM 307 CD GLU A 71 -5.763 1.231 -2.798 1.00 63.42 C ATOM 308 OE1 GLU A 71 -5.005 2.144 -3.081 1.00 54.33 O ATOM 309 OE2 GLU A 71 -6.520 0.718 -3.660 1.00 4.42 O ATOM 0 H GLU A 71 -2.693 1.911 1.002 1.00 43.43 H new ATOM 0 HA GLU A 71 -5.260 0.501 1.279 1.00 3.11 H new ATOM 0 HB2 GLU A 71 -5.063 2.393 -0.323 1.00 61.30 H new ATOM 0 HB3 GLU A 71 -3.764 1.542 -1.134 1.00 61.30 H new ATOM 0 HG2 GLU A 71 -5.438 -0.393 -1.470 1.00 45.20 H new ATOM 0 HG3 GLU A 71 -6.682 0.727 -0.952 1.00 45.20 H new ATOM 316 N CYS A 72 -4.193 -1.662 0.732 1.00 14.02 N ATOM 317 CA CYS A 72 -3.628 -2.957 0.421 1.00 1.43 C ATOM 318 C CYS A 72 -3.592 -3.177 -1.093 1.00 42.34 C ATOM 319 O CYS A 72 -4.370 -2.601 -1.843 1.00 4.04 O ATOM 320 CB CYS A 72 -4.469 -4.076 1.016 1.00 44.54 C ATOM 321 SG CYS A 72 -4.837 -3.972 2.806 1.00 63.42 S ATOM 0 H CYS A 72 -5.087 -1.702 1.221 1.00 14.02 H new ATOM 0 HA CYS A 72 -2.622 -2.974 0.840 1.00 1.43 H new ATOM 0 HB2 CYS A 72 -5.415 -4.113 0.477 1.00 44.54 H new ATOM 0 HB3 CYS A 72 -3.958 -5.021 0.829 1.00 44.54 H new ATOM 0 HG CYS A 72 -6.109 -4.161 2.999 1.00 63.42 H new ATOM 326 N LYS A 73 -2.686 -3.994 -1.526 1.00 3.24 N ATOM 327 CA LYS A 73 -2.628 -4.389 -2.904 1.00 73.20 C ATOM 328 C LYS A 73 -3.835 -5.277 -3.224 1.00 71.32 C ATOM 329 O LYS A 73 -4.389 -5.225 -4.312 1.00 64.42 O ATOM 330 CB LYS A 73 -1.268 -5.113 -3.170 1.00 2.12 C ATOM 331 CG LYS A 73 -1.028 -5.632 -4.594 1.00 11.42 C ATOM 332 CD LYS A 73 -1.752 -6.932 -4.861 1.00 52.32 C ATOM 333 CE LYS A 73 -1.628 -7.361 -6.310 1.00 3.02 C ATOM 334 NZ LYS A 73 -2.439 -8.558 -6.586 1.00 74.42 N ATOM 0 H LYS A 73 -1.964 -4.408 -0.937 1.00 3.24 H new ATOM 0 HA LYS A 73 -2.675 -3.521 -3.562 1.00 73.20 H new ATOM 0 HB2 LYS A 73 -0.461 -4.424 -2.919 1.00 2.12 H new ATOM 0 HB3 LYS A 73 -1.192 -5.956 -2.484 1.00 2.12 H new ATOM 0 HG2 LYS A 73 -1.357 -4.881 -5.312 1.00 11.42 H new ATOM 0 HG3 LYS A 73 0.041 -5.775 -4.751 1.00 11.42 H new ATOM 0 HD2 LYS A 73 -1.348 -7.712 -4.216 1.00 52.32 H new ATOM 0 HD3 LYS A 73 -2.805 -6.820 -4.604 1.00 52.32 H new ATOM 0 HE2 LYS A 73 -1.945 -6.546 -6.961 1.00 3.02 H new ATOM 0 HE3 LYS A 73 -0.583 -7.566 -6.542 1.00 3.02 H new ATOM 0 HZ1 LYS A 73 -2.029 -9.078 -7.388 1.00 74.42 H new ATOM 0 HZ2 LYS A 73 -2.451 -9.171 -5.746 1.00 74.42 H new ATOM 0 HZ3 LYS A 73 -3.411 -8.272 -6.820 1.00 74.42 H new ATOM 348 N TYR A 74 -4.274 -6.030 -2.238 1.00 4.32 N ATOM 349 CA TYR A 74 -5.291 -7.034 -2.449 1.00 24.05 C ATOM 350 C TYR A 74 -6.673 -6.555 -2.075 1.00 63.20 C ATOM 351 O TYR A 74 -7.655 -7.253 -2.305 1.00 30.44 O ATOM 352 CB TYR A 74 -4.934 -8.357 -1.744 1.00 53.41 C ATOM 353 CG TYR A 74 -3.667 -8.312 -0.910 1.00 23.53 C ATOM 354 CD1 TYR A 74 -2.416 -8.407 -1.506 1.00 75.31 C ATOM 355 CD2 TYR A 74 -3.723 -8.190 0.466 1.00 13.03 C ATOM 356 CE1 TYR A 74 -1.263 -8.375 -0.754 1.00 11.22 C ATOM 357 CE2 TYR A 74 -2.576 -8.159 1.229 1.00 44.43 C ATOM 358 CZ TYR A 74 -1.347 -8.251 0.617 1.00 50.13 C ATOM 359 OH TYR A 74 -0.202 -8.216 1.374 1.00 32.34 O ATOM 0 H TYR A 74 -3.939 -5.964 -1.277 1.00 4.32 H new ATOM 0 HA TYR A 74 -5.317 -7.228 -3.521 1.00 24.05 H new ATOM 0 HB2 TYR A 74 -5.765 -8.646 -1.101 1.00 53.41 H new ATOM 0 HB3 TYR A 74 -4.828 -9.137 -2.498 1.00 53.41 H new ATOM 0 HD1 TYR A 74 -2.346 -8.508 -2.579 1.00 75.31 H new ATOM 0 HD2 TYR A 74 -4.685 -8.118 0.952 1.00 13.03 H new ATOM 0 HE1 TYR A 74 -0.299 -8.447 -1.235 1.00 11.22 H new ATOM 0 HE2 TYR A 74 -2.641 -8.063 2.303 1.00 44.43 H new ATOM 0 HH TYR A 74 -0.438 -8.124 2.321 1.00 32.34 H new ATOM 369 N CYS A 75 -6.751 -5.373 -1.537 1.00 22.13 N ATOM 370 CA CYS A 75 -8.017 -4.787 -1.211 1.00 63.15 C ATOM 371 C CYS A 75 -7.879 -3.297 -1.353 1.00 62.45 C ATOM 372 O CYS A 75 -6.923 -2.720 -0.850 1.00 22.31 O ATOM 373 CB CYS A 75 -8.506 -5.196 0.207 1.00 33.12 C ATOM 374 SG CYS A 75 -7.608 -4.467 1.660 1.00 74.21 S ATOM 0 H CYS A 75 -5.944 -4.791 -1.313 1.00 22.13 H new ATOM 0 HA CYS A 75 -8.782 -5.156 -1.894 1.00 63.15 H new ATOM 0 HB2 CYS A 75 -9.559 -4.927 0.291 1.00 33.12 H new ATOM 0 HB3 CYS A 75 -8.447 -6.282 0.284 1.00 33.12 H new ATOM 0 HG CYS A 75 -6.740 -5.325 2.109 1.00 74.21 H new ATOM 379 N THR A 76 -8.805 -2.683 -2.019 1.00 54.44 N ATOM 380 CA THR A 76 -8.728 -1.277 -2.287 1.00 21.11 C ATOM 381 C THR A 76 -9.241 -0.476 -1.069 1.00 10.32 C ATOM 382 O THR A 76 -9.296 0.759 -1.075 1.00 53.45 O ATOM 383 CB THR A 76 -9.513 -0.934 -3.584 1.00 71.04 C ATOM 384 OG1 THR A 76 -9.076 0.314 -4.103 1.00 34.35 O ATOM 385 CG2 THR A 76 -11.023 -0.880 -3.332 1.00 30.11 C ATOM 0 H THR A 76 -9.637 -3.140 -2.393 1.00 54.44 H new ATOM 0 HA THR A 76 -7.688 -0.995 -2.451 1.00 21.11 H new ATOM 0 HB THR A 76 -9.315 -1.725 -4.307 1.00 71.04 H new ATOM 0 HG1 THR A 76 -8.142 0.465 -3.849 1.00 34.35 H new ATOM 0 HG21 THR A 76 -11.539 -0.638 -4.261 1.00 30.11 H new ATOM 0 HG22 THR A 76 -11.366 -1.849 -2.969 1.00 30.11 H new ATOM 0 HG23 THR A 76 -11.240 -0.115 -2.586 1.00 30.11 H new ATOM 393 N PHE A 77 -9.607 -1.198 -0.034 1.00 20.41 N ATOM 394 CA PHE A 77 -10.043 -0.614 1.191 1.00 41.01 C ATOM 395 C PHE A 77 -8.829 -0.113 1.942 1.00 3.12 C ATOM 396 O PHE A 77 -7.943 -0.890 2.352 1.00 32.45 O ATOM 397 CB PHE A 77 -10.867 -1.615 2.002 1.00 33.43 C ATOM 398 CG PHE A 77 -12.106 -2.061 1.270 1.00 53.43 C ATOM 399 CD1 PHE A 77 -13.245 -1.275 1.270 1.00 54.24 C ATOM 400 CD2 PHE A 77 -12.126 -3.252 0.564 1.00 2.41 C ATOM 401 CE1 PHE A 77 -14.376 -1.669 0.584 1.00 53.44 C ATOM 402 CE2 PHE A 77 -13.255 -3.651 -0.120 1.00 50.33 C ATOM 403 CZ PHE A 77 -14.379 -2.860 -0.112 1.00 53.41 C ATOM 0 H PHE A 77 -9.606 -2.218 -0.030 1.00 20.41 H new ATOM 0 HA PHE A 77 -10.701 0.233 0.998 1.00 41.01 H new ATOM 0 HB2 PHE A 77 -10.252 -2.485 2.235 1.00 33.43 H new ATOM 0 HB3 PHE A 77 -11.152 -1.163 2.952 1.00 33.43 H new ATOM 0 HD1 PHE A 77 -13.249 -0.342 1.814 1.00 54.24 H new ATOM 0 HD2 PHE A 77 -11.245 -3.877 0.549 1.00 2.41 H new ATOM 0 HE1 PHE A 77 -15.258 -1.045 0.592 1.00 53.44 H new ATOM 0 HE2 PHE A 77 -13.256 -4.585 -0.662 1.00 50.33 H new ATOM 0 HZ PHE A 77 -15.263 -3.170 -0.650 1.00 53.41 H new ATOM 413 N GLN A 78 -8.784 1.169 2.102 1.00 40.20 N ATOM 414 CA GLN A 78 -7.653 1.842 2.644 1.00 10.34 C ATOM 415 C GLN A 78 -7.929 2.369 4.026 1.00 35.22 C ATOM 416 O GLN A 78 -9.047 2.790 4.331 1.00 44.03 O ATOM 417 CB GLN A 78 -7.242 2.975 1.686 1.00 63.41 C ATOM 418 CG GLN A 78 -6.337 4.019 2.284 1.00 14.33 C ATOM 419 CD GLN A 78 -5.751 4.967 1.269 1.00 71.33 C ATOM 420 OE1 GLN A 78 -6.316 5.978 0.918 1.00 12.34 O ATOM 421 NE2 GLN A 78 -4.571 4.688 0.891 1.00 1.04 N ATOM 0 H GLN A 78 -9.553 1.791 1.853 1.00 40.20 H new ATOM 0 HA GLN A 78 -6.831 1.133 2.742 1.00 10.34 H new ATOM 0 HB2 GLN A 78 -6.744 2.536 0.822 1.00 63.41 H new ATOM 0 HB3 GLN A 78 -8.144 3.465 1.319 1.00 63.41 H new ATOM 0 HG2 GLN A 78 -6.897 4.592 3.023 1.00 14.33 H new ATOM 0 HG3 GLN A 78 -5.525 3.522 2.815 1.00 14.33 H new ATOM 0 HE21 GLN A 78 -4.125 3.827 1.206 1.00 1.04 H new ATOM 0 HE22 GLN A 78 -4.070 5.325 0.272 1.00 1.04 H new ATOM 430 N THR A 79 -6.925 2.327 4.857 1.00 72.31 N ATOM 431 CA THR A 79 -7.019 2.852 6.167 1.00 63.52 C ATOM 432 C THR A 79 -5.670 3.491 6.545 1.00 1.13 C ATOM 433 O THR A 79 -4.618 2.897 6.352 1.00 50.20 O ATOM 434 CB THR A 79 -7.457 1.751 7.184 1.00 64.23 C ATOM 435 OG1 THR A 79 -7.667 2.302 8.487 1.00 24.05 O ATOM 436 CG2 THR A 79 -6.448 0.618 7.268 1.00 73.53 C ATOM 0 H THR A 79 -6.017 1.922 4.631 1.00 72.31 H new ATOM 0 HA THR A 79 -7.790 3.622 6.201 1.00 63.52 H new ATOM 0 HB THR A 79 -8.398 1.345 6.812 1.00 64.23 H new ATOM 0 HG1 THR A 79 -8.231 1.696 9.011 1.00 24.05 H new ATOM 0 HG21 THR A 79 -6.794 -0.125 7.987 1.00 73.53 H new ATOM 0 HG22 THR A 79 -6.341 0.152 6.288 1.00 73.53 H new ATOM 0 HG23 THR A 79 -5.484 1.012 7.589 1.00 73.53 H new ATOM 444 N PRO A 80 -5.681 4.769 6.934 1.00 34.34 N ATOM 445 CA PRO A 80 -4.477 5.486 7.398 1.00 3.31 C ATOM 446 C PRO A 80 -3.970 5.022 8.758 1.00 11.42 C ATOM 447 O PRO A 80 -2.933 5.477 9.234 1.00 15.11 O ATOM 448 CB PRO A 80 -4.922 6.950 7.452 1.00 75.23 C ATOM 449 CG PRO A 80 -6.405 6.895 7.559 1.00 43.12 C ATOM 450 CD PRO A 80 -6.838 5.663 6.825 1.00 2.30 C ATOM 0 HA PRO A 80 -3.635 5.305 6.730 1.00 3.31 H new ATOM 0 HB2 PRO A 80 -4.483 7.465 8.306 1.00 75.23 H new ATOM 0 HB3 PRO A 80 -4.610 7.491 6.559 1.00 75.23 H new ATOM 0 HG2 PRO A 80 -6.718 6.855 8.602 1.00 43.12 H new ATOM 0 HG3 PRO A 80 -6.859 7.786 7.124 1.00 43.12 H new ATOM 0 HD2 PRO A 80 -7.728 5.222 7.273 1.00 2.30 H new ATOM 0 HD3 PRO A 80 -7.079 5.881 5.785 1.00 2.30 H new ATOM 458 N ASP A 81 -4.692 4.135 9.371 1.00 3.42 N ATOM 459 CA ASP A 81 -4.292 3.579 10.637 1.00 2.22 C ATOM 460 C ASP A 81 -3.573 2.297 10.381 1.00 71.40 C ATOM 461 O ASP A 81 -4.181 1.340 9.897 1.00 43.54 O ATOM 462 CB ASP A 81 -5.494 3.301 11.542 1.00 72.04 C ATOM 463 CG ASP A 81 -6.210 4.535 12.011 1.00 73.31 C ATOM 464 OD1 ASP A 81 -5.859 5.078 13.081 1.00 42.12 O ATOM 465 OD2 ASP A 81 -7.166 4.965 11.344 1.00 4.50 O ATOM 0 H ASP A 81 -5.576 3.773 9.012 1.00 3.42 H new ATOM 0 HA ASP A 81 -3.651 4.301 11.144 1.00 2.22 H new ATOM 0 HB2 ASP A 81 -6.200 2.667 11.005 1.00 72.04 H new ATOM 0 HB3 ASP A 81 -5.157 2.737 12.412 1.00 72.04 H new ATOM 470 N LEU A 82 -2.287 2.275 10.673 1.00 21.24 N ATOM 471 CA LEU A 82 -1.444 1.112 10.483 1.00 61.21 C ATOM 472 C LEU A 82 -2.035 -0.080 11.239 1.00 32.22 C ATOM 473 O LEU A 82 -2.125 -1.171 10.697 1.00 4.55 O ATOM 474 CB LEU A 82 -0.021 1.410 11.000 1.00 23.43 C ATOM 475 CG LEU A 82 1.159 0.643 10.347 1.00 24.13 C ATOM 476 CD1 LEU A 82 0.972 -0.856 10.380 1.00 72.44 C ATOM 477 CD2 LEU A 82 1.362 1.107 8.932 1.00 51.51 C ATOM 0 H LEU A 82 -1.791 3.080 11.056 1.00 21.24 H new ATOM 0 HA LEU A 82 -1.393 0.872 9.421 1.00 61.21 H new ATOM 0 HB2 LEU A 82 0.164 2.477 10.877 1.00 23.43 H new ATOM 0 HB3 LEU A 82 -0.003 1.205 12.070 1.00 23.43 H new ATOM 0 HG LEU A 82 2.047 0.867 10.938 1.00 24.13 H new ATOM 0 HD11 LEU A 82 1.828 -1.340 9.909 1.00 72.44 H new ATOM 0 HD12 LEU A 82 0.890 -1.190 11.414 1.00 72.44 H new ATOM 0 HD13 LEU A 82 0.063 -1.121 9.840 1.00 72.44 H new ATOM 0 HD21 LEU A 82 2.193 0.561 8.486 1.00 51.51 H new ATOM 0 HD22 LEU A 82 0.455 0.923 8.355 1.00 51.51 H new ATOM 0 HD23 LEU A 82 1.585 2.174 8.927 1.00 51.51 H new ATOM 489 N ASN A 83 -2.476 0.159 12.469 1.00 24.12 N ATOM 490 CA ASN A 83 -3.048 -0.862 13.325 1.00 43.25 C ATOM 491 C ASN A 83 -4.228 -1.508 12.626 1.00 53.25 C ATOM 492 O ASN A 83 -4.340 -2.713 12.596 1.00 2.53 O ATOM 493 CB ASN A 83 -3.547 -0.227 14.613 1.00 21.20 C ATOM 494 CG ASN A 83 -3.765 -1.207 15.763 1.00 2.45 C ATOM 495 OD1 ASN A 83 -4.047 -2.439 15.478 1.00 10.43 O flip ATOM 496 ND2 ASN A 83 -3.659 -0.829 16.924 1.00 63.44 N flip ATOM 0 H ASN A 83 -2.444 1.082 12.901 1.00 24.12 H new ATOM 0 HA ASN A 83 -2.284 -1.608 13.544 1.00 43.25 H new ATOM 0 HB2 ASN A 83 -2.831 0.531 14.930 1.00 21.20 H new ATOM 0 HB3 ASN A 83 -4.486 0.287 14.409 1.00 21.20 H new ATOM 0 HD21 ASN A 83 -3.436 0.146 17.125 1.00 63.44 H new ATOM 0 HD22 ASN A 83 -3.793 -1.489 17.690 1.00 63.44 H new ATOM 503 N MET A 84 -5.081 -0.695 12.038 1.00 34.22 N ATOM 504 CA MET A 84 -6.264 -1.205 11.359 1.00 43.24 C ATOM 505 C MET A 84 -5.871 -1.843 10.058 1.00 62.54 C ATOM 506 O MET A 84 -6.507 -2.795 9.600 1.00 31.14 O ATOM 507 CB MET A 84 -7.279 -0.102 11.102 1.00 23.31 C ATOM 508 CG MET A 84 -7.723 0.610 12.354 1.00 35.41 C ATOM 509 SD MET A 84 -8.485 -0.492 13.576 1.00 12.42 S ATOM 510 CE MET A 84 -9.916 -1.103 12.676 1.00 53.33 C ATOM 0 H MET A 84 -4.982 0.320 12.014 1.00 34.22 H new ATOM 0 HA MET A 84 -6.728 -1.947 12.008 1.00 43.24 H new ATOM 0 HB2 MET A 84 -6.847 0.625 10.414 1.00 23.31 H new ATOM 0 HB3 MET A 84 -8.151 -0.530 10.608 1.00 23.31 H new ATOM 0 HG2 MET A 84 -6.863 1.104 12.807 1.00 35.41 H new ATOM 0 HG3 MET A 84 -8.435 1.391 12.086 1.00 35.41 H new ATOM 0 HE1 MET A 84 -10.595 -1.601 13.368 1.00 53.33 H new ATOM 0 HE2 MET A 84 -10.430 -0.268 12.200 1.00 53.33 H new ATOM 0 HE3 MET A 84 -9.591 -1.811 11.914 1.00 53.33 H new ATOM 520 N PHE A 85 -4.820 -1.316 9.461 1.00 61.45 N ATOM 521 CA PHE A 85 -4.292 -1.846 8.227 1.00 34.22 C ATOM 522 C PHE A 85 -3.802 -3.269 8.422 1.00 5.21 C ATOM 523 O PHE A 85 -4.314 -4.176 7.801 1.00 23.43 O ATOM 524 CB PHE A 85 -3.164 -0.936 7.690 1.00 13.43 C ATOM 525 CG PHE A 85 -2.419 -1.504 6.514 1.00 52.52 C ATOM 526 CD1 PHE A 85 -2.998 -1.556 5.252 1.00 71.02 C ATOM 527 CD2 PHE A 85 -1.133 -1.993 6.677 1.00 52.54 C ATOM 528 CE1 PHE A 85 -2.305 -2.082 4.182 1.00 1.33 C ATOM 529 CE2 PHE A 85 -0.439 -2.520 5.608 1.00 21.30 C ATOM 530 CZ PHE A 85 -1.027 -2.564 4.359 1.00 2.35 C ATOM 0 H PHE A 85 -4.311 -0.509 9.821 1.00 61.45 H new ATOM 0 HA PHE A 85 -5.092 -1.867 7.486 1.00 34.22 H new ATOM 0 HB2 PHE A 85 -3.593 0.024 7.404 1.00 13.43 H new ATOM 0 HB3 PHE A 85 -2.455 -0.742 8.495 1.00 13.43 H new ATOM 0 HD1 PHE A 85 -4.000 -1.181 5.108 1.00 71.02 H new ATOM 0 HD2 PHE A 85 -0.669 -1.961 7.652 1.00 52.54 H new ATOM 0 HE1 PHE A 85 -2.764 -2.116 3.205 1.00 1.33 H new ATOM 0 HE2 PHE A 85 0.563 -2.898 5.747 1.00 21.30 H new ATOM 0 HZ PHE A 85 -0.485 -2.976 3.521 1.00 2.35 H new ATOM 540 N THR A 86 -2.912 -3.464 9.367 1.00 13.52 N ATOM 541 CA THR A 86 -2.353 -4.785 9.621 1.00 70.10 C ATOM 542 C THR A 86 -3.411 -5.715 10.201 1.00 61.21 C ATOM 543 O THR A 86 -3.419 -6.915 9.916 1.00 30.44 O ATOM 544 CB THR A 86 -1.066 -4.743 10.519 1.00 5.21 C ATOM 545 OG1 THR A 86 -0.621 -6.067 10.843 1.00 0.32 O ATOM 546 CG2 THR A 86 -1.299 -3.961 11.795 1.00 64.15 C ATOM 0 H THR A 86 -2.555 -2.728 9.977 1.00 13.52 H new ATOM 0 HA THR A 86 -2.033 -5.185 8.659 1.00 70.10 H new ATOM 0 HB THR A 86 -0.293 -4.237 9.940 1.00 5.21 H new ATOM 0 HG1 THR A 86 0.183 -6.015 11.402 1.00 0.32 H new ATOM 0 HG21 THR A 86 -0.386 -3.955 12.390 1.00 64.15 H new ATOM 0 HG22 THR A 86 -1.578 -2.937 11.548 1.00 64.15 H new ATOM 0 HG23 THR A 86 -2.101 -4.428 12.367 1.00 64.15 H new ATOM 554 N PHE A 87 -4.338 -5.142 10.951 1.00 72.52 N ATOM 555 CA PHE A 87 -5.407 -5.904 11.540 1.00 73.12 C ATOM 556 C PHE A 87 -6.299 -6.496 10.475 1.00 31.02 C ATOM 557 O PHE A 87 -6.475 -7.710 10.424 1.00 23.42 O ATOM 558 CB PHE A 87 -6.217 -5.070 12.551 1.00 44.41 C ATOM 559 CG PHE A 87 -7.527 -5.693 12.944 1.00 74.15 C ATOM 560 CD1 PHE A 87 -7.572 -6.969 13.481 1.00 73.22 C ATOM 561 CD2 PHE A 87 -8.714 -5.001 12.769 1.00 45.41 C ATOM 562 CE1 PHE A 87 -8.775 -7.544 13.831 1.00 53.35 C ATOM 563 CE2 PHE A 87 -9.920 -5.568 13.120 1.00 10.21 C ATOM 564 CZ PHE A 87 -9.952 -6.840 13.650 1.00 70.31 C ATOM 0 H PHE A 87 -4.364 -4.145 11.162 1.00 72.52 H new ATOM 0 HA PHE A 87 -4.955 -6.726 12.095 1.00 73.12 H new ATOM 0 HB2 PHE A 87 -5.615 -4.918 13.447 1.00 44.41 H new ATOM 0 HB3 PHE A 87 -6.408 -4.085 12.125 1.00 44.41 H new ATOM 0 HD1 PHE A 87 -6.654 -7.520 13.627 1.00 73.22 H new ATOM 0 HD2 PHE A 87 -8.694 -4.005 12.352 1.00 45.41 H new ATOM 0 HE1 PHE A 87 -8.799 -8.541 14.245 1.00 53.35 H new ATOM 0 HE2 PHE A 87 -10.838 -5.017 12.980 1.00 10.21 H new ATOM 0 HZ PHE A 87 -10.896 -7.287 13.924 1.00 70.31 H new ATOM 574 N HIS A 88 -6.819 -5.656 9.596 1.00 45.54 N ATOM 575 CA HIS A 88 -7.725 -6.131 8.579 1.00 71.42 C ATOM 576 C HIS A 88 -6.986 -7.053 7.611 1.00 3.15 C ATOM 577 O HIS A 88 -7.557 -7.960 7.046 1.00 42.35 O ATOM 578 CB HIS A 88 -8.486 -4.975 7.868 1.00 44.40 C ATOM 579 CG HIS A 88 -7.802 -4.299 6.703 1.00 15.31 C ATOM 580 ND1 HIS A 88 -7.241 -3.046 6.746 1.00 34.23 N ATOM 581 CD2 HIS A 88 -7.669 -4.724 5.431 1.00 43.32 C ATOM 582 CE1 HIS A 88 -6.799 -2.742 5.528 1.00 65.04 C ATOM 583 NE2 HIS A 88 -7.035 -3.754 4.665 1.00 53.20 N ATOM 0 H HIS A 88 -6.629 -4.654 9.570 1.00 45.54 H new ATOM 0 HA HIS A 88 -8.506 -6.718 9.062 1.00 71.42 H new ATOM 0 HB2 HIS A 88 -9.440 -5.368 7.516 1.00 44.40 H new ATOM 0 HB3 HIS A 88 -8.711 -4.213 8.614 1.00 44.40 H new ATOM 0 HD1 HIS A 88 -7.174 -2.450 7.571 1.00 34.23 H new ATOM 0 HD2 HIS A 88 -8.007 -5.681 5.061 1.00 43.32 H new ATOM 0 HE1 HIS A 88 -6.317 -1.812 5.265 1.00 65.04 H new ATOM 591 N VAL A 89 -5.695 -6.810 7.452 1.00 33.33 N ATOM 592 CA VAL A 89 -4.869 -7.639 6.615 1.00 3.24 C ATOM 593 C VAL A 89 -4.782 -9.024 7.192 1.00 61.55 C ATOM 594 O VAL A 89 -5.268 -9.938 6.598 1.00 70.14 O ATOM 595 CB VAL A 89 -3.443 -7.054 6.389 1.00 71.55 C ATOM 596 CG1 VAL A 89 -2.513 -8.086 5.754 1.00 54.14 C ATOM 597 CG2 VAL A 89 -3.504 -5.844 5.487 1.00 34.22 C ATOM 0 H VAL A 89 -5.201 -6.037 7.899 1.00 33.33 H new ATOM 0 HA VAL A 89 -5.346 -7.675 5.635 1.00 3.24 H new ATOM 0 HB VAL A 89 -3.052 -6.772 7.367 1.00 71.55 H new ATOM 0 HG11 VAL A 89 -1.526 -7.646 5.610 1.00 54.14 H new ATOM 0 HG12 VAL A 89 -2.431 -8.954 6.409 1.00 54.14 H new ATOM 0 HG13 VAL A 89 -2.917 -8.395 4.790 1.00 54.14 H new ATOM 0 HG21 VAL A 89 -2.499 -5.449 5.340 1.00 34.22 H new ATOM 0 HG22 VAL A 89 -3.926 -6.129 4.523 1.00 34.22 H new ATOM 0 HG23 VAL A 89 -4.131 -5.080 5.946 1.00 34.22 H new ATOM 607 N ASP A 90 -4.280 -9.147 8.404 1.00 24.43 N ATOM 608 CA ASP A 90 -4.034 -10.465 8.999 1.00 3.05 C ATOM 609 C ASP A 90 -5.347 -11.213 9.224 1.00 21.11 C ATOM 610 O ASP A 90 -5.392 -12.440 9.239 1.00 74.10 O ATOM 611 CB ASP A 90 -3.273 -10.318 10.320 1.00 70.34 C ATOM 612 CG ASP A 90 -2.729 -11.632 10.842 1.00 32.43 C ATOM 613 OD1 ASP A 90 -3.422 -12.336 11.609 1.00 12.03 O ATOM 614 OD2 ASP A 90 -1.568 -11.969 10.529 1.00 40.53 O ATOM 0 H ASP A 90 -4.032 -8.359 9.002 1.00 24.43 H new ATOM 0 HA ASP A 90 -3.425 -11.045 8.305 1.00 3.05 H new ATOM 0 HB2 ASP A 90 -2.448 -9.620 10.181 1.00 70.34 H new ATOM 0 HB3 ASP A 90 -3.936 -9.883 11.068 1.00 70.34 H new ATOM 619 N SER A 91 -6.411 -10.463 9.335 1.00 62.10 N ATOM 620 CA SER A 91 -7.706 -11.020 9.589 1.00 44.43 C ATOM 621 C SER A 91 -8.379 -11.475 8.281 1.00 34.44 C ATOM 622 O SER A 91 -9.000 -12.539 8.228 1.00 55.21 O ATOM 623 CB SER A 91 -8.566 -9.974 10.311 1.00 0.30 C ATOM 624 OG SER A 91 -9.792 -10.508 10.772 1.00 24.22 O ATOM 0 H SER A 91 -6.400 -9.447 9.251 1.00 62.10 H new ATOM 0 HA SER A 91 -7.600 -11.901 10.222 1.00 44.43 H new ATOM 0 HB2 SER A 91 -8.008 -9.570 11.156 1.00 0.30 H new ATOM 0 HB3 SER A 91 -8.766 -9.143 9.635 1.00 0.30 H new ATOM 0 HG SER A 91 -10.304 -9.807 11.226 1.00 24.22 H new ATOM 630 N GLU A 92 -8.242 -10.696 7.233 1.00 31.12 N ATOM 631 CA GLU A 92 -8.960 -10.985 5.994 1.00 63.15 C ATOM 632 C GLU A 92 -8.077 -11.598 4.928 1.00 15.55 C ATOM 633 O GLU A 92 -8.432 -12.616 4.311 1.00 54.31 O ATOM 634 CB GLU A 92 -9.616 -9.722 5.480 1.00 10.14 C ATOM 635 CG GLU A 92 -10.647 -9.168 6.433 1.00 70.10 C ATOM 636 CD GLU A 92 -11.120 -7.809 6.045 1.00 55.23 C ATOM 637 OE1 GLU A 92 -11.568 -7.617 4.896 1.00 11.34 O ATOM 638 OE2 GLU A 92 -11.055 -6.895 6.875 1.00 33.52 O ATOM 0 H GLU A 92 -7.650 -9.866 7.203 1.00 31.12 H new ATOM 0 HA GLU A 92 -9.721 -11.730 6.226 1.00 63.15 H new ATOM 0 HB2 GLU A 92 -8.850 -8.967 5.302 1.00 10.14 H new ATOM 0 HB3 GLU A 92 -10.089 -9.929 4.520 1.00 10.14 H new ATOM 0 HG2 GLU A 92 -11.499 -9.846 6.474 1.00 70.10 H new ATOM 0 HG3 GLU A 92 -10.223 -9.128 7.436 1.00 70.10 H new ATOM 645 N HIS A 93 -6.938 -11.008 4.735 1.00 21.05 N ATOM 646 CA HIS A 93 -5.987 -11.408 3.723 1.00 14.44 C ATOM 647 C HIS A 93 -4.581 -11.529 4.317 1.00 72.23 C ATOM 648 O HIS A 93 -3.706 -10.722 4.001 1.00 73.23 O ATOM 649 CB HIS A 93 -6.004 -10.416 2.518 1.00 1.50 C ATOM 650 CG HIS A 93 -6.451 -8.980 2.824 1.00 40.10 C ATOM 651 ND1 HIS A 93 -7.768 -8.575 2.782 1.00 50.25 N ATOM 652 CD2 HIS A 93 -5.734 -7.865 3.172 1.00 62.21 C ATOM 653 CE1 HIS A 93 -7.836 -7.292 3.089 1.00 33.42 C ATOM 654 NE2 HIS A 93 -6.616 -6.773 3.341 1.00 25.32 N ATOM 0 H HIS A 93 -6.627 -10.210 5.290 1.00 21.05 H new ATOM 0 HA HIS A 93 -6.281 -12.389 3.351 1.00 14.44 H new ATOM 0 HB2 HIS A 93 -5.001 -10.378 2.092 1.00 1.50 H new ATOM 0 HB3 HIS A 93 -6.662 -10.822 1.750 1.00 1.50 H new ATOM 0 HD1 HIS A 93 -8.563 -9.171 2.551 1.00 50.25 H new ATOM 0 HD2 HIS A 93 -4.662 -7.827 3.298 1.00 62.21 H new ATOM 0 HE1 HIS A 93 -8.756 -6.727 3.133 1.00 33.42 H new ATOM 662 N PRO A 94 -4.360 -12.514 5.241 1.00 22.43 N ATOM 663 CA PRO A 94 -3.076 -12.675 5.927 1.00 44.13 C ATOM 664 C PRO A 94 -1.949 -13.003 4.966 1.00 12.13 C ATOM 665 O PRO A 94 -0.842 -12.486 5.088 1.00 32.14 O ATOM 666 CB PRO A 94 -3.314 -13.841 6.897 1.00 34.12 C ATOM 667 CG PRO A 94 -4.504 -14.557 6.366 1.00 21.40 C ATOM 668 CD PRO A 94 -5.350 -13.515 5.709 1.00 62.45 C ATOM 0 HA PRO A 94 -2.769 -11.756 6.426 1.00 44.13 H new ATOM 0 HB2 PRO A 94 -2.446 -14.499 6.941 1.00 34.12 H new ATOM 0 HB3 PRO A 94 -3.492 -13.480 7.910 1.00 34.12 H new ATOM 0 HG2 PRO A 94 -4.210 -15.328 5.653 1.00 21.40 H new ATOM 0 HG3 PRO A 94 -5.050 -15.055 7.167 1.00 21.40 H new ATOM 0 HD2 PRO A 94 -5.926 -13.928 4.881 1.00 62.45 H new ATOM 0 HD3 PRO A 94 -6.064 -13.078 6.407 1.00 62.45 H new ATOM 676 N ASN A 95 -2.243 -13.842 4.014 1.00 23.31 N ATOM 677 CA ASN A 95 -1.287 -14.243 3.026 1.00 12.22 C ATOM 678 C ASN A 95 -2.071 -14.541 1.772 1.00 55.51 C ATOM 679 O ASN A 95 -3.117 -15.209 1.837 1.00 52.41 O ATOM 680 CB ASN A 95 -0.521 -15.476 3.508 1.00 23.55 C ATOM 681 CG ASN A 95 0.760 -15.712 2.750 1.00 54.43 C ATOM 682 OD1 ASN A 95 0.881 -15.384 1.569 1.00 14.32 O ATOM 683 ND2 ASN A 95 1.724 -16.272 3.421 1.00 51.24 N ATOM 0 H ASN A 95 -3.162 -14.270 3.902 1.00 23.31 H new ATOM 0 HA ASN A 95 -0.548 -13.464 2.839 1.00 12.22 H new ATOM 0 HB2 ASN A 95 -0.293 -15.363 4.568 1.00 23.55 H new ATOM 0 HB3 ASN A 95 -1.160 -16.354 3.411 1.00 23.55 H new ATOM 0 HD21 ASN A 95 2.620 -16.454 2.970 1.00 51.24 H new ATOM 0 HD22 ASN A 95 1.583 -16.529 4.398 1.00 51.24 H new ATOM 690 N VAL A 96 -1.613 -14.048 0.659 1.00 41.10 N ATOM 691 CA VAL A 96 -2.360 -14.094 -0.590 1.00 0.43 C ATOM 692 C VAL A 96 -1.499 -14.499 -1.761 1.00 4.55 C ATOM 693 O VAL A 96 -0.312 -14.813 -1.601 1.00 14.04 O ATOM 694 CB VAL A 96 -3.009 -12.727 -0.894 1.00 33.35 C ATOM 695 CG1 VAL A 96 -4.268 -12.547 -0.092 1.00 1.14 C ATOM 696 CG2 VAL A 96 -2.048 -11.627 -0.544 1.00 74.24 C ATOM 0 H VAL A 96 -0.702 -13.595 0.579 1.00 41.10 H new ATOM 0 HA VAL A 96 -3.133 -14.850 -0.456 1.00 0.43 H new ATOM 0 HB VAL A 96 -3.255 -12.690 -1.955 1.00 33.35 H new ATOM 0 HG11 VAL A 96 -4.710 -11.577 -0.321 1.00 1.14 H new ATOM 0 HG12 VAL A 96 -4.976 -13.337 -0.344 1.00 1.14 H new ATOM 0 HG13 VAL A 96 -4.032 -12.596 0.971 1.00 1.14 H new ATOM 0 HG21 VAL A 96 -2.506 -10.662 -0.759 1.00 74.24 H new ATOM 0 HG22 VAL A 96 -1.801 -11.684 0.516 1.00 74.24 H new ATOM 0 HG23 VAL A 96 -1.139 -11.736 -1.135 1.00 74.24 H new ATOM 706 N VAL A 97 -2.099 -14.487 -2.936 1.00 22.30 N ATOM 707 CA VAL A 97 -1.419 -14.856 -4.145 1.00 31.13 C ATOM 708 C VAL A 97 -1.382 -13.680 -5.120 1.00 32.03 C ATOM 709 O VAL A 97 -2.382 -12.966 -5.288 1.00 55.51 O ATOM 710 CB VAL A 97 -2.023 -16.129 -4.821 1.00 12.24 C ATOM 711 CG1 VAL A 97 -1.845 -17.344 -3.923 1.00 43.12 C ATOM 712 CG2 VAL A 97 -3.505 -15.938 -5.152 1.00 22.43 C ATOM 0 H VAL A 97 -3.074 -14.219 -3.070 1.00 22.30 H new ATOM 0 HA VAL A 97 -0.398 -15.115 -3.866 1.00 31.13 H new ATOM 0 HB VAL A 97 -1.485 -16.292 -5.755 1.00 12.24 H new ATOM 0 HG11 VAL A 97 -2.271 -18.221 -4.409 1.00 43.12 H new ATOM 0 HG12 VAL A 97 -0.783 -17.510 -3.741 1.00 43.12 H new ATOM 0 HG13 VAL A 97 -2.353 -17.173 -2.974 1.00 43.12 H new ATOM 0 HG21 VAL A 97 -3.893 -16.842 -5.621 1.00 22.43 H new ATOM 0 HG22 VAL A 97 -4.060 -15.738 -4.235 1.00 22.43 H new ATOM 0 HG23 VAL A 97 -3.620 -15.097 -5.836 1.00 22.43 H new ATOM 722 N LEU A 98 -0.226 -13.452 -5.714 1.00 52.45 N ATOM 723 CA LEU A 98 -0.007 -12.342 -6.644 1.00 33.13 C ATOM 724 C LEU A 98 1.270 -12.557 -7.436 1.00 13.11 C ATOM 725 O LEU A 98 2.087 -13.413 -7.078 1.00 35.31 O ATOM 726 CB LEU A 98 0.042 -10.955 -5.936 1.00 32.12 C ATOM 727 CG LEU A 98 1.006 -10.780 -4.752 1.00 45.34 C ATOM 728 CD1 LEU A 98 1.268 -9.307 -4.518 1.00 50.23 C ATOM 729 CD2 LEU A 98 0.405 -11.364 -3.485 1.00 42.44 C ATOM 0 H LEU A 98 0.600 -14.033 -5.568 1.00 52.45 H new ATOM 0 HA LEU A 98 -0.864 -12.331 -7.317 1.00 33.13 H new ATOM 0 HB2 LEU A 98 0.296 -10.206 -6.686 1.00 32.12 H new ATOM 0 HB3 LEU A 98 -0.964 -10.725 -5.584 1.00 32.12 H new ATOM 0 HG LEU A 98 1.935 -11.298 -4.990 1.00 45.34 H new ATOM 0 HD11 LEU A 98 1.952 -9.188 -3.678 1.00 50.23 H new ATOM 0 HD12 LEU A 98 1.712 -8.870 -5.412 1.00 50.23 H new ATOM 0 HD13 LEU A 98 0.328 -8.801 -4.295 1.00 50.23 H new ATOM 0 HD21 LEU A 98 1.101 -11.231 -2.657 1.00 42.44 H new ATOM 0 HD22 LEU A 98 -0.531 -10.854 -3.257 1.00 42.44 H new ATOM 0 HD23 LEU A 98 0.213 -12.427 -3.630 1.00 42.44 H new ATOM 741 N ASN A 99 1.434 -11.796 -8.506 1.00 22.22 N ATOM 742 CA ASN A 99 2.620 -11.890 -9.364 1.00 62.30 C ATOM 743 C ASN A 99 3.780 -11.087 -8.769 1.00 31.14 C ATOM 744 O ASN A 99 4.738 -11.657 -8.229 1.00 73.13 O ATOM 745 CB ASN A 99 2.310 -11.374 -10.781 1.00 14.40 C ATOM 746 CG ASN A 99 3.494 -11.487 -11.728 1.00 64.02 C ATOM 747 OD1 ASN A 99 4.284 -12.420 -11.648 1.00 74.42 O ATOM 748 ND2 ASN A 99 3.648 -10.521 -12.593 1.00 51.33 N ATOM 0 H ASN A 99 0.756 -11.097 -8.809 1.00 22.22 H new ATOM 0 HA ASN A 99 2.907 -12.940 -9.424 1.00 62.30 H new ATOM 0 HB2 ASN A 99 1.470 -11.935 -11.190 1.00 14.40 H new ATOM 0 HB3 ASN A 99 1.998 -10.331 -10.722 1.00 14.40 H new ATOM 0 HD21 ASN A 99 4.445 -10.528 -13.229 1.00 51.33 H new ATOM 0 HD22 ASN A 99 2.971 -9.759 -12.633 1.00 51.33 H new ATOM 755 N SER A 100 3.668 -9.766 -8.836 1.00 72.24 N ATOM 756 CA SER A 100 4.665 -8.873 -8.306 1.00 21.55 C ATOM 757 C SER A 100 4.005 -7.537 -8.001 1.00 63.44 C ATOM 758 O SER A 100 3.026 -7.169 -8.656 1.00 65.44 O ATOM 759 CB SER A 100 5.853 -8.713 -9.286 1.00 34.22 C ATOM 760 OG SER A 100 5.438 -8.236 -10.570 1.00 71.34 O ATOM 0 H SER A 100 2.874 -9.291 -9.265 1.00 72.24 H new ATOM 0 HA SER A 100 5.078 -9.288 -7.386 1.00 21.55 H new ATOM 0 HB2 SER A 100 6.580 -8.021 -8.862 1.00 34.22 H new ATOM 0 HB3 SER A 100 6.356 -9.673 -9.403 1.00 34.22 H new ATOM 0 HG SER A 100 6.220 -8.149 -11.155 1.00 71.34 H new ATOM 766 N SER A 101 4.486 -6.860 -6.995 1.00 42.31 N ATOM 767 CA SER A 101 3.963 -5.620 -6.552 1.00 34.33 C ATOM 768 C SER A 101 5.050 -4.903 -5.776 1.00 65.11 C ATOM 769 O SER A 101 6.136 -5.472 -5.565 1.00 4.41 O ATOM 770 CB SER A 101 2.757 -5.879 -5.654 1.00 61.13 C ATOM 771 OG SER A 101 1.690 -6.488 -6.368 1.00 31.35 O ATOM 0 H SER A 101 5.285 -7.179 -6.447 1.00 42.31 H new ATOM 0 HA SER A 101 3.646 -5.007 -7.396 1.00 34.33 H new ATOM 0 HB2 SER A 101 3.053 -6.521 -4.824 1.00 61.13 H new ATOM 0 HB3 SER A 101 2.416 -4.938 -5.223 1.00 61.13 H new ATOM 0 HG SER A 101 1.972 -6.665 -7.290 1.00 31.35 H new ATOM 777 N TYR A 102 4.780 -3.692 -5.374 1.00 32.54 N ATOM 778 CA TYR A 102 5.713 -2.898 -4.607 1.00 41.14 C ATOM 779 C TYR A 102 5.157 -2.621 -3.227 1.00 61.21 C ATOM 780 O TYR A 102 3.932 -2.452 -3.057 1.00 65.14 O ATOM 781 CB TYR A 102 5.987 -1.568 -5.284 1.00 13.15 C ATOM 782 CG TYR A 102 6.992 -1.533 -6.411 1.00 64.23 C ATOM 783 CD1 TYR A 102 7.109 -2.560 -7.337 1.00 21.21 C ATOM 784 CD2 TYR A 102 7.831 -0.434 -6.542 1.00 32.31 C ATOM 785 CE1 TYR A 102 8.028 -2.495 -8.362 1.00 52.22 C ATOM 786 CE2 TYR A 102 8.751 -0.359 -7.569 1.00 1.21 C ATOM 787 CZ TYR A 102 8.846 -1.393 -8.474 1.00 41.51 C ATOM 788 OH TYR A 102 9.746 -1.318 -9.508 1.00 11.00 O ATOM 0 H TYR A 102 3.898 -3.219 -5.569 1.00 32.54 H new ATOM 0 HA TYR A 102 6.640 -3.466 -4.535 1.00 41.14 H new ATOM 0 HB2 TYR A 102 5.040 -1.190 -5.671 1.00 13.15 H new ATOM 0 HB3 TYR A 102 6.321 -0.868 -4.519 1.00 13.15 H new ATOM 0 HD1 TYR A 102 6.469 -3.426 -7.253 1.00 21.21 H new ATOM 0 HD2 TYR A 102 7.763 0.375 -5.829 1.00 32.31 H new ATOM 0 HE1 TYR A 102 8.106 -3.304 -9.073 1.00 52.22 H new ATOM 0 HE2 TYR A 102 9.392 0.505 -7.662 1.00 1.21 H new ATOM 0 HH TYR A 102 10.247 -0.478 -9.446 1.00 11.00 H new ATOM 798 N VAL A 103 6.033 -2.571 -2.258 1.00 74.45 N ATOM 799 CA VAL A 103 5.662 -2.295 -0.894 1.00 61.13 C ATOM 800 C VAL A 103 6.584 -1.214 -0.333 1.00 1.12 C ATOM 801 O VAL A 103 7.779 -1.214 -0.584 1.00 35.03 O ATOM 802 CB VAL A 103 5.739 -3.605 -0.007 1.00 34.31 C ATOM 803 CG1 VAL A 103 7.106 -4.106 0.103 1.00 70.25 C ATOM 804 CG2 VAL A 103 5.216 -3.430 1.378 1.00 13.21 C ATOM 0 H VAL A 103 7.033 -2.722 -2.394 1.00 74.45 H new ATOM 0 HA VAL A 103 4.631 -1.942 -0.872 1.00 61.13 H new ATOM 0 HB VAL A 103 5.103 -4.317 -0.533 1.00 34.31 H new ATOM 0 HG11 VAL A 103 7.116 -5.005 0.719 1.00 70.25 H new ATOM 0 HG12 VAL A 103 7.488 -4.343 -0.890 1.00 70.25 H new ATOM 0 HG13 VAL A 103 7.737 -3.345 0.562 1.00 70.25 H new ATOM 0 HG21 VAL A 103 5.303 -4.371 1.921 1.00 13.21 H new ATOM 0 HG22 VAL A 103 5.793 -2.660 1.890 1.00 13.21 H new ATOM 0 HG23 VAL A 103 4.169 -3.131 1.336 1.00 13.21 H new ATOM 814 N CYS A 104 6.033 -0.282 0.372 1.00 32.45 N ATOM 815 CA CYS A 104 6.839 0.695 1.058 1.00 41.32 C ATOM 816 C CYS A 104 7.311 0.004 2.281 1.00 1.44 C ATOM 817 O CYS A 104 6.528 -0.206 3.144 1.00 52.10 O ATOM 818 CB CYS A 104 5.965 1.921 1.435 1.00 62.55 C ATOM 819 SG CYS A 104 6.713 3.242 2.552 1.00 22.04 S ATOM 0 H CYS A 104 5.027 -0.169 0.493 1.00 32.45 H new ATOM 0 HA CYS A 104 7.666 1.060 0.449 1.00 41.32 H new ATOM 0 HB2 CYS A 104 5.655 2.405 0.509 1.00 62.55 H new ATOM 0 HB3 CYS A 104 5.062 1.549 1.919 1.00 62.55 H new ATOM 0 HG CYS A 104 5.761 3.951 3.083 1.00 22.04 H new ATOM 824 N VAL A 105 8.558 -0.436 2.315 1.00 2.33 N ATOM 825 CA VAL A 105 9.121 -1.147 3.483 1.00 51.23 C ATOM 826 C VAL A 105 8.943 -0.320 4.739 1.00 3.33 C ATOM 827 O VAL A 105 8.659 -0.848 5.814 1.00 12.20 O ATOM 828 CB VAL A 105 10.628 -1.425 3.324 1.00 60.12 C ATOM 829 CG1 VAL A 105 10.947 -2.836 3.615 1.00 72.11 C ATOM 830 CG2 VAL A 105 11.129 -1.064 1.967 1.00 54.31 C ATOM 0 H VAL A 105 9.217 -0.318 1.545 1.00 2.33 H new ATOM 0 HA VAL A 105 8.585 -2.093 3.554 1.00 51.23 H new ATOM 0 HB VAL A 105 11.135 -0.790 4.050 1.00 60.12 H new ATOM 0 HG11 VAL A 105 12.018 -2.999 3.494 1.00 72.11 H new ATOM 0 HG12 VAL A 105 10.658 -3.071 4.639 1.00 72.11 H new ATOM 0 HG13 VAL A 105 10.401 -3.482 2.927 1.00 72.11 H new ATOM 0 HG21 VAL A 105 12.196 -1.278 1.904 1.00 54.31 H new ATOM 0 HG22 VAL A 105 10.597 -1.647 1.216 1.00 54.31 H new ATOM 0 HG23 VAL A 105 10.961 -0.002 1.788 1.00 54.31 H new ATOM 840 N GLU A 106 9.033 0.986 4.546 1.00 10.33 N ATOM 841 CA GLU A 106 8.928 1.983 5.599 1.00 62.21 C ATOM 842 C GLU A 106 7.581 1.866 6.322 1.00 52.44 C ATOM 843 O GLU A 106 7.484 2.011 7.531 1.00 72.14 O ATOM 844 CB GLU A 106 9.054 3.379 4.978 1.00 24.23 C ATOM 845 CG GLU A 106 10.282 3.583 4.085 1.00 52.11 C ATOM 846 CD GLU A 106 11.598 3.612 4.834 1.00 71.30 C ATOM 847 OE1 GLU A 106 11.687 3.009 5.918 1.00 33.13 O ATOM 848 OE2 GLU A 106 12.555 4.265 4.342 1.00 52.41 O ATOM 0 H GLU A 106 9.186 1.394 3.624 1.00 10.33 H new ATOM 0 HA GLU A 106 9.726 1.819 6.324 1.00 62.21 H new ATOM 0 HB2 GLU A 106 8.159 3.581 4.390 1.00 24.23 H new ATOM 0 HB3 GLU A 106 9.081 4.116 5.781 1.00 24.23 H new ATOM 0 HG2 GLU A 106 10.316 2.783 3.345 1.00 52.11 H new ATOM 0 HG3 GLU A 106 10.168 4.519 3.538 1.00 52.11 H new ATOM 855 N CYS A 107 6.555 1.605 5.563 1.00 14.22 N ATOM 856 CA CYS A 107 5.201 1.467 6.146 1.00 15.11 C ATOM 857 C CYS A 107 4.800 0.016 6.215 1.00 41.11 C ATOM 858 O CYS A 107 3.943 -0.381 6.988 1.00 54.44 O ATOM 859 CB CYS A 107 4.230 2.169 5.239 1.00 62.31 C ATOM 860 SG CYS A 107 4.768 3.842 4.801 1.00 73.32 S ATOM 0 H CYS A 107 6.602 1.481 4.552 1.00 14.22 H new ATOM 0 HA CYS A 107 5.199 1.892 7.150 1.00 15.11 H new ATOM 0 HB2 CYS A 107 4.101 1.583 4.329 1.00 62.31 H new ATOM 0 HB3 CYS A 107 3.256 2.221 5.726 1.00 62.31 H new ATOM 0 HG CYS A 107 6.031 3.825 4.493 1.00 73.32 H new ATOM 865 N ASN A 108 5.480 -0.737 5.416 1.00 4.22 N ATOM 866 CA ASN A 108 5.198 -2.107 5.099 1.00 4.31 C ATOM 867 C ASN A 108 3.794 -2.248 4.580 1.00 20.23 C ATOM 868 O ASN A 108 2.920 -2.863 5.193 1.00 14.13 O ATOM 869 CB ASN A 108 5.510 -3.031 6.223 1.00 62.45 C ATOM 870 CG ASN A 108 6.032 -4.299 5.741 1.00 44.30 C ATOM 871 OD1 ASN A 108 5.318 -5.280 5.562 1.00 3.33 O ATOM 872 ND2 ASN A 108 7.238 -4.267 5.410 1.00 3.31 N ATOM 0 H ASN A 108 6.307 -0.391 4.930 1.00 4.22 H new ATOM 0 HA ASN A 108 5.869 -2.413 4.296 1.00 4.31 H new ATOM 0 HB2 ASN A 108 6.238 -2.565 6.887 1.00 62.45 H new ATOM 0 HB3 ASN A 108 4.609 -3.207 6.811 1.00 62.45 H new ATOM 0 HD21 ASN A 108 7.668 -5.081 4.970 1.00 3.31 H new ATOM 0 HD22 ASN A 108 7.791 -3.427 5.580 1.00 3.31 H new ATOM 879 N PHE A 109 3.584 -1.647 3.434 1.00 34.41 N ATOM 880 CA PHE A 109 2.269 -1.630 2.845 1.00 54.55 C ATOM 881 C PHE A 109 2.384 -1.931 1.352 1.00 61.34 C ATOM 882 O PHE A 109 3.185 -1.294 0.640 1.00 61.40 O ATOM 883 CB PHE A 109 1.506 -0.281 3.102 1.00 12.42 C ATOM 884 CG PHE A 109 1.434 0.679 1.916 1.00 11.01 C ATOM 885 CD1 PHE A 109 2.412 1.619 1.701 1.00 44.43 C ATOM 886 CD2 PHE A 109 0.377 0.612 1.023 1.00 75.45 C ATOM 887 CE1 PHE A 109 2.346 2.480 0.610 1.00 13.21 C ATOM 888 CE2 PHE A 109 0.308 1.471 -0.068 1.00 12.52 C ATOM 889 CZ PHE A 109 1.296 2.405 -0.269 1.00 65.04 C ATOM 0 H PHE A 109 4.303 -1.166 2.894 1.00 34.41 H new ATOM 0 HA PHE A 109 1.671 -2.403 3.327 1.00 54.55 H new ATOM 0 HB2 PHE A 109 0.489 -0.515 3.418 1.00 12.42 H new ATOM 0 HB3 PHE A 109 1.987 0.234 3.933 1.00 12.42 H new ATOM 0 HD1 PHE A 109 3.243 1.691 2.387 1.00 44.43 H new ATOM 0 HD2 PHE A 109 -0.404 -0.118 1.176 1.00 75.45 H new ATOM 0 HE1 PHE A 109 3.126 3.211 0.455 1.00 13.21 H new ATOM 0 HE2 PHE A 109 -0.521 1.404 -0.757 1.00 12.52 H new ATOM 0 HZ PHE A 109 1.246 3.076 -1.114 1.00 65.04 H new ATOM 899 N LEU A 110 1.653 -2.901 0.903 1.00 24.33 N ATOM 900 CA LEU A 110 1.665 -3.306 -0.489 1.00 23.40 C ATOM 901 C LEU A 110 0.581 -2.586 -1.232 1.00 51.20 C ATOM 902 O LEU A 110 -0.507 -2.455 -0.723 1.00 20.12 O ATOM 903 CB LEU A 110 1.471 -4.828 -0.609 1.00 63.03 C ATOM 904 CG LEU A 110 2.735 -5.662 -0.712 1.00 75.41 C ATOM 905 CD1 LEU A 110 2.399 -7.124 -0.526 1.00 42.21 C ATOM 906 CD2 LEU A 110 3.351 -5.463 -2.089 1.00 72.41 C ATOM 0 H LEU A 110 1.021 -3.447 1.488 1.00 24.33 H new ATOM 0 HA LEU A 110 2.631 -3.048 -0.924 1.00 23.40 H new ATOM 0 HB2 LEU A 110 0.905 -5.170 0.258 1.00 63.03 H new ATOM 0 HB3 LEU A 110 0.858 -5.026 -1.488 1.00 63.03 H new ATOM 0 HG LEU A 110 3.438 -5.352 0.061 1.00 75.41 H new ATOM 0 HD11 LEU A 110 3.309 -7.719 -0.601 1.00 42.21 H new ATOM 0 HD12 LEU A 110 1.948 -7.272 0.455 1.00 42.21 H new ATOM 0 HD13 LEU A 110 1.697 -7.437 -1.298 1.00 42.21 H new ATOM 0 HD21 LEU A 110 4.260 -6.059 -2.171 1.00 72.41 H new ATOM 0 HD22 LEU A 110 2.641 -5.777 -2.854 1.00 72.41 H new ATOM 0 HD23 LEU A 110 3.594 -4.410 -2.230 1.00 72.41 H new ATOM 918 N THR A 111 0.887 -2.133 -2.413 1.00 52.14 N ATOM 919 CA THR A 111 -0.058 -1.421 -3.254 1.00 24.42 C ATOM 920 C THR A 111 -0.138 -2.066 -4.630 1.00 44.30 C ATOM 921 O THR A 111 0.826 -2.686 -5.093 1.00 11.03 O ATOM 922 CB THR A 111 0.280 0.104 -3.346 1.00 20.54 C ATOM 923 OG1 THR A 111 -0.332 0.743 -4.493 1.00 63.34 O ATOM 924 CG2 THR A 111 1.766 0.339 -3.358 1.00 53.45 C ATOM 0 H THR A 111 1.810 -2.244 -2.833 1.00 52.14 H new ATOM 0 HA THR A 111 -1.042 -1.494 -2.791 1.00 24.42 H new ATOM 0 HB THR A 111 -0.142 0.560 -2.450 1.00 20.54 H new ATOM 0 HG1 THR A 111 0.355 0.939 -5.163 1.00 63.34 H new ATOM 0 HG21 THR A 111 1.965 1.409 -3.423 1.00 53.45 H new ATOM 0 HG22 THR A 111 2.204 -0.057 -2.442 1.00 53.45 H new ATOM 0 HG23 THR A 111 2.207 -0.165 -4.218 1.00 53.45 H new ATOM 932 N LYS A 112 -1.287 -1.912 -5.277 1.00 64.21 N ATOM 933 CA LYS A 112 -1.570 -2.561 -6.544 1.00 72.23 C ATOM 934 C LYS A 112 -1.043 -1.733 -7.731 1.00 25.02 C ATOM 935 O LYS A 112 -1.170 -2.129 -8.882 1.00 71.42 O ATOM 936 CB LYS A 112 -3.090 -2.826 -6.636 1.00 2.33 C ATOM 937 CG LYS A 112 -3.527 -3.830 -7.699 1.00 55.23 C ATOM 938 CD LYS A 112 -5.007 -4.166 -7.535 1.00 63.20 C ATOM 939 CE LYS A 112 -5.452 -5.274 -8.477 1.00 75.30 C ATOM 940 NZ LYS A 112 -6.869 -5.663 -8.245 1.00 45.20 N ATOM 0 H LYS A 112 -2.050 -1.330 -4.933 1.00 64.21 H new ATOM 0 HA LYS A 112 -1.046 -3.516 -6.594 1.00 72.23 H new ATOM 0 HB2 LYS A 112 -3.437 -3.179 -5.665 1.00 2.33 H new ATOM 0 HB3 LYS A 112 -3.594 -1.879 -6.829 1.00 2.33 H new ATOM 0 HG2 LYS A 112 -3.349 -3.419 -8.692 1.00 55.23 H new ATOM 0 HG3 LYS A 112 -2.930 -4.738 -7.618 1.00 55.23 H new ATOM 0 HD2 LYS A 112 -5.197 -4.469 -6.505 1.00 63.20 H new ATOM 0 HD3 LYS A 112 -5.603 -3.273 -7.720 1.00 63.20 H new ATOM 0 HE2 LYS A 112 -5.330 -4.944 -9.509 1.00 75.30 H new ATOM 0 HE3 LYS A 112 -4.810 -6.144 -8.343 1.00 75.30 H new ATOM 0 HZ1 LYS A 112 -7.134 -6.420 -8.907 1.00 45.20 H new ATOM 0 HZ2 LYS A 112 -6.980 -6.002 -7.268 1.00 45.20 H new ATOM 0 HZ3 LYS A 112 -7.485 -4.839 -8.398 1.00 45.20 H new ATOM 954 N ARG A 113 -0.436 -0.598 -7.444 1.00 44.35 N ATOM 955 CA ARG A 113 0.168 0.208 -8.494 1.00 44.01 C ATOM 956 C ARG A 113 1.464 0.828 -7.976 1.00 41.53 C ATOM 957 O ARG A 113 1.565 1.160 -6.774 1.00 13.13 O ATOM 958 CB ARG A 113 -0.799 1.282 -9.081 1.00 0.32 C ATOM 959 CG ARG A 113 -1.032 2.543 -8.239 1.00 5.43 C ATOM 960 CD ARG A 113 -1.684 2.292 -6.912 1.00 4.22 C ATOM 961 NE ARG A 113 -3.007 1.680 -7.013 1.00 0.32 N ATOM 962 CZ ARG A 113 -3.756 1.412 -5.958 1.00 10.34 C ATOM 963 NH1 ARG A 113 -3.191 1.393 -4.759 1.00 75.21 N ATOM 964 NH2 ARG A 113 -5.035 1.075 -6.092 1.00 14.53 N ATOM 0 H ARG A 113 -0.347 -0.214 -6.503 1.00 44.35 H new ATOM 0 HA ARG A 113 0.396 -0.453 -9.331 1.00 44.01 H new ATOM 0 HB2 ARG A 113 -0.414 1.590 -10.053 1.00 0.32 H new ATOM 0 HB3 ARG A 113 -1.765 0.808 -9.257 1.00 0.32 H new ATOM 0 HG2 ARG A 113 -0.074 3.035 -8.072 1.00 5.43 H new ATOM 0 HG3 ARG A 113 -1.651 3.236 -8.809 1.00 5.43 H new ATOM 0 HD2 ARG A 113 -1.039 1.645 -6.317 1.00 4.22 H new ATOM 0 HD3 ARG A 113 -1.771 3.237 -6.375 1.00 4.22 H new ATOM 0 HE ARG A 113 -3.368 1.450 -7.939 1.00 0.32 H new ATOM 0 HH11 ARG A 113 -2.194 1.583 -4.662 1.00 75.21 H new ATOM 0 HH12 ARG A 113 -3.754 1.188 -3.933 1.00 75.21 H new ATOM 0 HH21 ARG A 113 -5.453 1.020 -7.021 1.00 14.53 H new ATOM 0 HH22 ARG A 113 -5.598 0.871 -5.266 1.00 14.53 H new ATOM 978 N TYR A 114 2.429 0.992 -8.865 1.00 63.41 N ATOM 979 CA TYR A 114 3.782 1.454 -8.521 1.00 74.23 C ATOM 980 C TYR A 114 3.844 2.932 -8.113 1.00 71.04 C ATOM 981 O TYR A 114 4.710 3.331 -7.336 1.00 13.44 O ATOM 982 CB TYR A 114 4.766 1.168 -9.677 1.00 11.05 C ATOM 983 CG TYR A 114 4.382 1.796 -11.014 1.00 44.25 C ATOM 984 CD1 TYR A 114 4.790 3.085 -11.350 1.00 74.12 C ATOM 985 CD2 TYR A 114 3.618 1.095 -11.939 1.00 32.11 C ATOM 986 CE1 TYR A 114 4.445 3.653 -12.559 1.00 4.14 C ATOM 987 CE2 TYR A 114 3.274 1.655 -13.150 1.00 0.14 C ATOM 988 CZ TYR A 114 3.688 2.935 -13.455 1.00 20.55 C ATOM 989 OH TYR A 114 3.348 3.496 -14.671 1.00 61.33 O ATOM 0 H TYR A 114 2.303 0.808 -9.860 1.00 63.41 H new ATOM 0 HA TYR A 114 4.080 0.884 -7.641 1.00 74.23 H new ATOM 0 HB2 TYR A 114 5.754 1.529 -9.392 1.00 11.05 H new ATOM 0 HB3 TYR A 114 4.847 0.089 -9.808 1.00 11.05 H new ATOM 0 HD1 TYR A 114 5.388 3.650 -10.651 1.00 74.12 H new ATOM 0 HD2 TYR A 114 3.288 0.094 -11.705 1.00 32.11 H new ATOM 0 HE1 TYR A 114 4.767 4.655 -12.800 1.00 4.14 H new ATOM 0 HE2 TYR A 114 2.682 1.094 -13.858 1.00 0.14 H new ATOM 0 HH TYR A 114 2.813 2.858 -15.187 1.00 61.33 H new ATOM 999 N ASP A 115 2.929 3.729 -8.614 1.00 24.52 N ATOM 1000 CA ASP A 115 2.942 5.159 -8.329 1.00 11.23 C ATOM 1001 C ASP A 115 2.717 5.488 -6.882 1.00 43.24 C ATOM 1002 O ASP A 115 3.309 6.411 -6.388 1.00 4.44 O ATOM 1003 CB ASP A 115 2.016 5.957 -9.235 1.00 30.42 C ATOM 1004 CG ASP A 115 0.643 5.376 -9.373 1.00 14.14 C ATOM 1005 OD1 ASP A 115 0.503 4.385 -10.110 1.00 23.43 O ATOM 1006 OD2 ASP A 115 -0.319 5.892 -8.760 1.00 63.04 O ATOM 0 H ASP A 115 2.167 3.421 -9.218 1.00 24.52 H new ATOM 0 HA ASP A 115 3.960 5.473 -8.559 1.00 11.23 H new ATOM 0 HB2 ASP A 115 1.932 6.972 -8.846 1.00 30.42 H new ATOM 0 HB3 ASP A 115 2.468 6.031 -10.224 1.00 30.42 H new ATOM 1011 N ALA A 116 1.945 4.675 -6.179 1.00 42.11 N ATOM 1012 CA ALA A 116 1.663 4.909 -4.748 1.00 14.40 C ATOM 1013 C ALA A 116 2.957 4.964 -3.909 1.00 3.34 C ATOM 1014 O ALA A 116 2.984 5.553 -2.836 1.00 33.20 O ATOM 1015 CB ALA A 116 0.718 3.841 -4.213 1.00 12.04 C ATOM 0 H ALA A 116 1.497 3.844 -6.564 1.00 42.11 H new ATOM 0 HA ALA A 116 1.180 5.882 -4.661 1.00 14.40 H new ATOM 0 HB1 ALA A 116 0.519 4.027 -3.157 1.00 12.04 H new ATOM 0 HB2 ALA A 116 -0.219 3.872 -4.769 1.00 12.04 H new ATOM 0 HB3 ALA A 116 1.176 2.859 -4.329 1.00 12.04 H new ATOM 1021 N LEU A 117 4.007 4.334 -4.410 1.00 50.53 N ATOM 1022 CA LEU A 117 5.321 4.336 -3.770 1.00 5.31 C ATOM 1023 C LEU A 117 6.112 5.581 -4.133 1.00 2.22 C ATOM 1024 O LEU A 117 6.909 6.076 -3.357 1.00 43.23 O ATOM 1025 CB LEU A 117 6.137 3.114 -4.160 1.00 55.03 C ATOM 1026 CG LEU A 117 5.527 1.752 -3.879 1.00 0.00 C ATOM 1027 CD1 LEU A 117 4.909 1.691 -2.494 1.00 73.13 C ATOM 1028 CD2 LEU A 117 4.537 1.370 -4.947 1.00 65.25 C ATOM 0 H LEU A 117 3.976 3.801 -5.279 1.00 50.53 H new ATOM 0 HA LEU A 117 5.139 4.319 -2.695 1.00 5.31 H new ATOM 0 HB2 LEU A 117 6.348 3.176 -5.228 1.00 55.03 H new ATOM 0 HB3 LEU A 117 7.095 3.168 -3.642 1.00 55.03 H new ATOM 0 HG LEU A 117 6.333 1.019 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.483 0.701 -2.329 1.00 73.13 H new ATOM 0 HD12 LEU A 117 5.676 1.885 -1.744 1.00 73.13 H new ATOM 0 HD13 LEU A 117 4.124 2.443 -2.413 1.00 73.13 H new ATOM 0 HD21 LEU A 117 4.116 0.390 -4.720 1.00 65.25 H new ATOM 0 HD22 LEU A 117 3.737 2.109 -4.982 1.00 65.25 H new ATOM 0 HD23 LEU A 117 5.040 1.333 -5.913 1.00 65.25 H new ATOM 1040 N SER A 118 5.883 6.057 -5.303 1.00 33.31 N ATOM 1041 CA SER A 118 6.569 7.218 -5.832 1.00 71.53 C ATOM 1042 C SER A 118 6.036 8.508 -5.255 1.00 64.42 C ATOM 1043 O SER A 118 6.771 9.457 -5.007 1.00 12.40 O ATOM 1044 CB SER A 118 6.410 7.220 -7.317 1.00 41.32 C ATOM 1045 OG SER A 118 7.327 6.334 -7.933 1.00 33.12 O ATOM 0 H SER A 118 5.202 5.654 -5.947 1.00 33.31 H new ATOM 0 HA SER A 118 7.621 7.157 -5.553 1.00 71.53 H new ATOM 0 HB2 SER A 118 5.391 6.931 -7.576 1.00 41.32 H new ATOM 0 HB3 SER A 118 6.562 8.229 -7.700 1.00 41.32 H new ATOM 0 HG SER A 118 7.199 6.354 -8.904 1.00 33.12 H new ATOM 1051 N GLU A 119 4.762 8.552 -5.109 1.00 25.32 N ATOM 1052 CA GLU A 119 4.091 9.679 -4.509 1.00 32.21 C ATOM 1053 C GLU A 119 4.201 9.576 -3.013 1.00 54.11 C ATOM 1054 O GLU A 119 3.943 10.516 -2.300 1.00 70.15 O ATOM 1055 CB GLU A 119 2.640 9.734 -4.894 1.00 65.53 C ATOM 1056 CG GLU A 119 2.373 9.143 -6.242 1.00 31.33 C ATOM 1057 CD GLU A 119 0.973 9.337 -6.703 1.00 43.44 C ATOM 1058 OE1 GLU A 119 0.052 8.780 -6.091 1.00 41.31 O ATOM 1059 OE2 GLU A 119 0.754 10.058 -7.695 1.00 22.20 O ATOM 0 H GLU A 119 4.135 7.803 -5.402 1.00 25.32 H new ATOM 0 HA GLU A 119 4.570 10.589 -4.870 1.00 32.21 H new ATOM 0 HB2 GLU A 119 2.051 9.203 -4.147 1.00 65.53 H new ATOM 0 HB3 GLU A 119 2.306 10.771 -4.885 1.00 65.53 H new ATOM 0 HG2 GLU A 119 3.052 9.590 -6.968 1.00 31.33 H new ATOM 0 HG3 GLU A 119 2.594 8.076 -6.213 1.00 31.33 H new ATOM 1066 N HIS A 120 4.483 8.393 -2.555 1.00 0.14 N ATOM 1067 CA HIS A 120 4.590 8.097 -1.146 1.00 33.23 C ATOM 1068 C HIS A 120 5.501 9.106 -0.415 1.00 73.14 C ATOM 1069 O HIS A 120 5.075 9.755 0.452 1.00 52.12 O ATOM 1070 CB HIS A 120 5.106 6.708 -0.970 1.00 20.14 C ATOM 1071 CG HIS A 120 4.815 6.141 0.327 1.00 42.11 C ATOM 1072 ND1 HIS A 120 3.644 5.508 0.638 1.00 51.12 N ATOM 1073 CD2 HIS A 120 5.552 6.126 1.403 1.00 14.03 C ATOM 1074 CE1 HIS A 120 3.705 5.132 1.899 1.00 33.30 C ATOM 1075 NE2 HIS A 120 4.874 5.486 2.431 1.00 45.33 N ATOM 0 H HIS A 120 4.649 7.587 -3.157 1.00 0.14 H new ATOM 0 HA HIS A 120 3.597 8.180 -0.703 1.00 33.23 H new ATOM 0 HB2 HIS A 120 4.675 6.069 -1.741 1.00 20.14 H new ATOM 0 HB3 HIS A 120 6.185 6.709 -1.123 1.00 20.14 H new ATOM 0 HD1 HIS A 120 2.860 5.354 0.004 1.00 51.12 H new ATOM 0 HD2 HIS A 120 6.543 6.549 1.482 1.00 14.03 H new ATOM 0 HE1 HIS A 120 2.919 4.611 2.426 1.00 33.30 H new ATOM 1083 N ASN A 121 6.718 9.239 -0.820 1.00 12.30 N ATOM 1084 CA ASN A 121 7.671 10.236 -0.254 1.00 32.50 C ATOM 1085 C ASN A 121 7.249 11.679 -0.540 1.00 14.01 C ATOM 1086 O ASN A 121 7.828 12.633 -0.046 1.00 43.04 O ATOM 1087 CB ASN A 121 9.116 9.939 -0.626 1.00 52.34 C ATOM 1088 CG ASN A 121 9.383 9.825 -2.099 1.00 31.22 C ATOM 1089 OD1 ASN A 121 8.509 9.536 -2.892 1.00 64.01 O ATOM 1090 ND2 ASN A 121 10.600 9.945 -2.452 1.00 23.41 N ATOM 0 H ASN A 121 7.121 8.668 -1.563 1.00 12.30 H new ATOM 0 HA ASN A 121 7.624 10.131 0.830 1.00 32.50 H new ATOM 0 HB2 ASN A 121 9.749 10.726 -0.217 1.00 52.34 H new ATOM 0 HB3 ASN A 121 9.415 9.008 -0.145 1.00 52.34 H new ATOM 0 HD21 ASN A 121 10.866 9.797 -3.426 1.00 23.41 H new ATOM 0 HD22 ASN A 121 11.310 10.189 -1.761 1.00 23.41 H new ATOM 1097 N LEU A 122 6.342 11.824 -1.443 1.00 21.04 N ATOM 1098 CA LEU A 122 5.770 13.106 -1.758 1.00 25.30 C ATOM 1099 C LEU A 122 4.723 13.487 -0.681 1.00 2.21 C ATOM 1100 O LEU A 122 4.762 14.571 -0.107 1.00 62.45 O ATOM 1101 CB LEU A 122 5.171 13.045 -3.199 1.00 12.41 C ATOM 1102 CG LEU A 122 3.998 13.960 -3.562 1.00 21.40 C ATOM 1103 CD1 LEU A 122 4.357 15.427 -3.402 1.00 35.45 C ATOM 1104 CD2 LEU A 122 3.552 13.693 -4.989 1.00 21.11 C ATOM 0 H LEU A 122 5.966 11.053 -1.995 1.00 21.04 H new ATOM 0 HA LEU A 122 6.528 13.890 -1.748 1.00 25.30 H new ATOM 0 HB2 LEU A 122 5.980 13.255 -3.899 1.00 12.41 H new ATOM 0 HB3 LEU A 122 4.853 12.018 -3.379 1.00 12.41 H new ATOM 0 HG LEU A 122 3.182 13.738 -2.874 1.00 21.40 H new ATOM 0 HD11 LEU A 122 3.498 16.043 -3.669 1.00 35.45 H new ATOM 0 HD12 LEU A 122 4.636 15.623 -2.367 1.00 35.45 H new ATOM 0 HD13 LEU A 122 5.195 15.670 -4.055 1.00 35.45 H new ATOM 0 HD21 LEU A 122 2.717 14.348 -5.238 1.00 21.11 H new ATOM 0 HD22 LEU A 122 4.380 13.885 -5.671 1.00 21.11 H new ATOM 0 HD23 LEU A 122 3.238 12.654 -5.084 1.00 21.11 H new ATOM 1116 N LYS A 123 3.796 12.599 -0.427 1.00 20.21 N ATOM 1117 CA LYS A 123 2.709 12.871 0.513 1.00 15.40 C ATOM 1118 C LYS A 123 2.780 12.130 1.846 1.00 73.12 C ATOM 1119 O LYS A 123 2.451 12.675 2.898 1.00 21.31 O ATOM 1120 CB LYS A 123 1.356 12.739 -0.168 1.00 73.31 C ATOM 1121 CG LYS A 123 1.332 11.802 -1.361 1.00 1.35 C ATOM 1122 CD LYS A 123 0.036 11.936 -2.143 1.00 52.04 C ATOM 1123 CE LYS A 123 -1.199 11.692 -1.279 1.00 75.34 C ATOM 1124 NZ LYS A 123 -2.462 11.877 -2.032 1.00 30.53 N ATOM 0 H LYS A 123 3.762 11.673 -0.854 1.00 20.21 H new ATOM 0 HA LYS A 123 2.846 13.910 0.811 1.00 15.40 H new ATOM 0 HB2 LYS A 123 0.629 12.390 0.565 1.00 73.31 H new ATOM 0 HB3 LYS A 123 1.031 13.727 -0.494 1.00 73.31 H new ATOM 0 HG2 LYS A 123 2.177 12.020 -2.014 1.00 1.35 H new ATOM 0 HG3 LYS A 123 1.449 10.773 -1.020 1.00 1.35 H new ATOM 0 HD2 LYS A 123 -0.020 12.934 -2.577 1.00 52.04 H new ATOM 0 HD3 LYS A 123 0.041 11.228 -2.971 1.00 52.04 H new ATOM 0 HE2 LYS A 123 -1.164 10.679 -0.878 1.00 75.34 H new ATOM 0 HE3 LYS A 123 -1.184 12.373 -0.428 1.00 75.34 H new ATOM 0 HZ1 LYS A 123 -3.253 11.478 -1.487 1.00 30.53 H new ATOM 0 HZ2 LYS A 123 -2.627 12.892 -2.189 1.00 30.53 H new ATOM 0 HZ3 LYS A 123 -2.394 11.392 -2.949 1.00 30.53 H new ATOM 1138 N TYR A 124 3.169 10.907 1.781 1.00 74.14 N ATOM 1139 CA TYR A 124 3.235 10.005 2.937 1.00 32.24 C ATOM 1140 C TYR A 124 4.513 10.193 3.733 1.00 73.30 C ATOM 1141 O TYR A 124 4.478 10.329 4.958 1.00 23.12 O ATOM 1142 CB TYR A 124 3.123 8.564 2.478 1.00 21.51 C ATOM 1143 CG TYR A 124 1.790 8.178 1.899 1.00 2.14 C ATOM 1144 CD1 TYR A 124 1.275 8.831 0.797 1.00 20.14 C ATOM 1145 CD2 TYR A 124 1.058 7.147 2.447 1.00 34.52 C ATOM 1146 CE1 TYR A 124 0.075 8.483 0.268 1.00 34.45 C ATOM 1147 CE2 TYR A 124 -0.145 6.785 1.916 1.00 42.21 C ATOM 1148 CZ TYR A 124 -0.639 7.454 0.834 1.00 60.40 C ATOM 1149 OH TYR A 124 -1.858 7.093 0.339 1.00 63.01 O ATOM 0 H TYR A 124 3.464 10.468 0.909 1.00 74.14 H new ATOM 0 HA TYR A 124 2.398 10.250 3.591 1.00 32.24 H new ATOM 0 HB2 TYR A 124 3.894 8.377 1.730 1.00 21.51 H new ATOM 0 HB3 TYR A 124 3.336 7.912 3.325 1.00 21.51 H new ATOM 0 HD1 TYR A 124 1.839 9.635 0.347 1.00 20.14 H new ATOM 0 HD2 TYR A 124 1.442 6.619 3.308 1.00 34.52 H new ATOM 0 HE1 TYR A 124 -0.316 9.010 -0.590 1.00 34.45 H new ATOM 0 HE2 TYR A 124 -0.705 5.971 2.351 1.00 42.21 H new ATOM 0 HH TYR A 124 -2.325 6.534 0.995 1.00 63.01 H new ATOM 1159 N HIS A 125 5.641 10.163 3.044 1.00 41.44 N ATOM 1160 CA HIS A 125 6.939 10.431 3.685 1.00 61.42 C ATOM 1161 C HIS A 125 7.587 11.649 3.041 1.00 55.05 C ATOM 1162 O HIS A 125 8.566 11.510 2.350 1.00 40.31 O ATOM 1163 CB HIS A 125 7.911 9.234 3.567 1.00 21.44 C ATOM 1164 CG HIS A 125 7.468 7.948 4.205 1.00 5.22 C ATOM 1165 ND1 HIS A 125 6.910 7.840 5.455 1.00 54.41 N ATOM 1166 CD2 HIS A 125 7.479 6.707 3.697 1.00 72.43 C ATOM 1167 CE1 HIS A 125 6.590 6.567 5.663 1.00 21.11 C ATOM 1168 NE2 HIS A 125 6.914 5.810 4.590 1.00 4.41 N ATOM 0 H HIS A 125 5.696 9.958 2.046 1.00 41.44 H new ATOM 0 HA HIS A 125 6.744 10.608 4.743 1.00 61.42 H new ATOM 0 HB2 HIS A 125 8.094 9.045 2.509 1.00 21.44 H new ATOM 0 HB3 HIS A 125 8.865 9.524 4.008 1.00 21.44 H new ATOM 0 HD1 HIS A 125 6.766 8.607 6.112 1.00 54.41 H new ATOM 0 HD2 HIS A 125 7.873 6.443 2.727 1.00 72.43 H new ATOM 0 HE1 HIS A 125 6.134 6.189 6.566 1.00 21.11 H new ATOM 1176 N PRO A 126 7.037 12.840 3.243 1.00 13.51 N ATOM 1177 CA PRO A 126 7.495 14.053 2.561 1.00 52.02 C ATOM 1178 C PRO A 126 8.812 14.616 3.080 1.00 40.24 C ATOM 1179 O PRO A 126 9.180 14.436 4.262 1.00 55.53 O ATOM 1180 CB PRO A 126 6.363 15.025 2.806 1.00 5.41 C ATOM 1181 CG PRO A 126 5.831 14.608 4.132 1.00 32.04 C ATOM 1182 CD PRO A 126 5.933 13.125 4.154 1.00 75.21 C ATOM 0 HA PRO A 126 7.708 13.853 1.511 1.00 52.02 H new ATOM 0 HB2 PRO A 126 6.715 16.056 2.821 1.00 5.41 H new ATOM 0 HB3 PRO A 126 5.602 14.959 2.029 1.00 5.41 H new ATOM 0 HG2 PRO A 126 6.407 15.053 4.943 1.00 32.04 H new ATOM 0 HG3 PRO A 126 4.798 14.932 4.260 1.00 32.04 H new ATOM 0 HD2 PRO A 126 6.136 12.753 5.158 1.00 75.21 H new ATOM 0 HD3 PRO A 126 5.008 12.655 3.821 1.00 75.21 H new ATOM 1190 N GLY A 127 9.505 15.308 2.193 1.00 11.45 N ATOM 1191 CA GLY A 127 10.765 15.922 2.518 1.00 1.25 C ATOM 1192 C GLY A 127 11.734 15.893 1.351 1.00 11.21 C ATOM 1193 O GLY A 127 12.292 16.922 0.961 1.00 43.31 O ATOM 0 H GLY A 127 9.204 15.456 1.230 1.00 11.45 H new ATOM 0 HA2 GLY A 127 10.596 16.955 2.822 1.00 1.25 H new ATOM 0 HA3 GLY A 127 11.209 15.407 3.370 1.00 1.25 H new ATOM 1197 N GLU A 128 11.906 14.731 0.774 1.00 2.35 N ATOM 1198 CA GLU A 128 12.839 14.533 -0.318 1.00 45.33 C ATOM 1199 C GLU A 128 12.347 13.412 -1.195 1.00 14.13 C ATOM 1200 O GLU A 128 11.357 12.753 -0.854 1.00 42.34 O ATOM 1201 CB GLU A 128 14.266 14.274 0.228 1.00 2.31 C ATOM 1202 CG GLU A 128 14.411 13.065 1.148 1.00 72.00 C ATOM 1203 CD GLU A 128 15.072 11.886 0.480 1.00 21.00 C ATOM 1204 OE1 GLU A 128 14.389 11.132 -0.215 1.00 21.23 O ATOM 1205 OE2 GLU A 128 16.321 11.723 0.616 1.00 21.44 O ATOM 0 H GLU A 128 11.402 13.887 1.047 1.00 2.35 H new ATOM 0 HA GLU A 128 12.896 15.435 -0.927 1.00 45.33 H new ATOM 0 HB2 GLU A 128 14.942 14.147 -0.618 1.00 2.31 H new ATOM 0 HB3 GLU A 128 14.595 15.161 0.769 1.00 2.31 H new ATOM 0 HG2 GLU A 128 14.993 13.351 2.024 1.00 72.00 H new ATOM 0 HG3 GLU A 128 13.425 12.767 1.504 1.00 72.00 H new ATOM 1212 N GLU A 129 12.980 13.197 -2.309 1.00 11.53 N ATOM 1213 CA GLU A 129 12.541 12.155 -3.173 1.00 52.12 C ATOM 1214 C GLU A 129 13.690 11.291 -3.604 1.00 54.42 C ATOM 1215 O GLU A 129 14.369 11.578 -4.605 1.00 73.13 O ATOM 1216 CB GLU A 129 11.854 12.747 -4.375 1.00 22.21 C ATOM 1217 CG GLU A 129 11.292 11.728 -5.348 1.00 52.24 C ATOM 1218 CD GLU A 129 10.615 12.382 -6.504 1.00 62.53 C ATOM 1219 OE1 GLU A 129 11.310 12.831 -7.427 1.00 41.01 O ATOM 1220 OE2 GLU A 129 9.373 12.450 -6.516 1.00 10.14 O ATOM 0 H GLU A 129 13.791 13.724 -2.634 1.00 11.53 H new ATOM 0 HA GLU A 129 11.836 11.528 -2.627 1.00 52.12 H new ATOM 0 HB2 GLU A 129 11.042 13.389 -4.033 1.00 22.21 H new ATOM 0 HB3 GLU A 129 12.563 13.383 -4.905 1.00 22.21 H new ATOM 0 HG2 GLU A 129 12.097 11.090 -5.712 1.00 52.24 H new ATOM 0 HG3 GLU A 129 10.583 11.082 -4.829 1.00 52.24 H new ATOM 1227 N ASN A 130 13.919 10.244 -2.843 1.00 11.40 N ATOM 1228 CA ASN A 130 14.979 9.295 -3.100 1.00 33.43 C ATOM 1229 C ASN A 130 14.574 7.954 -2.522 1.00 21.05 C ATOM 1230 O ASN A 130 14.758 7.689 -1.339 1.00 61.52 O ATOM 1231 CB ASN A 130 16.288 9.756 -2.409 1.00 42.23 C ATOM 1232 CG ASN A 130 16.804 11.097 -2.905 1.00 2.53 C ATOM 1233 OD1 ASN A 130 16.283 12.156 -2.329 1.00 23.04 O flip ATOM 1234 ND2 ASN A 130 17.644 11.177 -3.818 1.00 61.51 N flip ATOM 0 H ASN A 130 13.365 10.025 -2.015 1.00 11.40 H new ATOM 0 HA ASN A 130 15.146 9.221 -4.175 1.00 33.43 H new ATOM 0 HB2 ASN A 130 16.118 9.818 -1.334 1.00 42.23 H new ATOM 0 HB3 ASN A 130 17.057 9.000 -2.567 1.00 42.23 H new ATOM 0 HD21 ASN A 130 18.023 10.328 -4.238 1.00 61.51 H new ATOM 0 HD22 ASN A 130 17.954 12.091 -4.147 1.00 61.51 H new ATOM 1241 N PHE A 131 13.984 7.144 -3.332 1.00 1.04 N ATOM 1242 CA PHE A 131 13.595 5.812 -2.935 1.00 40.44 C ATOM 1243 C PHE A 131 14.536 4.794 -3.555 1.00 3.13 C ATOM 1244 O PHE A 131 15.083 5.024 -4.642 1.00 3.44 O ATOM 1245 CB PHE A 131 12.160 5.513 -3.370 1.00 4.52 C ATOM 1246 CG PHE A 131 11.110 5.557 -2.286 1.00 62.43 C ATOM 1247 CD1 PHE A 131 11.002 4.522 -1.387 1.00 63.24 C ATOM 1248 CD2 PHE A 131 10.201 6.586 -2.208 1.00 24.10 C ATOM 1249 CE1 PHE A 131 10.012 4.508 -0.431 1.00 22.25 C ATOM 1250 CE2 PHE A 131 9.195 6.574 -1.248 1.00 64.43 C ATOM 1251 CZ PHE A 131 9.103 5.533 -0.365 1.00 65.52 C ATOM 0 H PHE A 131 13.751 7.378 -4.297 1.00 1.04 H new ATOM 0 HA PHE A 131 13.650 5.748 -1.848 1.00 40.44 H new ATOM 0 HB2 PHE A 131 11.882 6.227 -4.145 1.00 4.52 H new ATOM 0 HB3 PHE A 131 12.140 4.523 -3.826 1.00 4.52 H new ATOM 0 HD1 PHE A 131 11.707 3.705 -1.432 1.00 63.24 H new ATOM 0 HD2 PHE A 131 10.269 7.412 -2.900 1.00 24.10 H new ATOM 0 HE1 PHE A 131 9.951 3.688 0.269 1.00 22.25 H new ATOM 0 HE2 PHE A 131 8.486 7.387 -1.199 1.00 64.43 H new ATOM 0 HZ PHE A 131 8.320 5.518 0.379 1.00 65.52 H new ATOM 1261 N LYS A 132 14.730 3.700 -2.868 1.00 61.50 N ATOM 1262 CA LYS A 132 15.562 2.612 -3.322 1.00 52.44 C ATOM 1263 C LYS A 132 14.642 1.406 -3.543 1.00 24.13 C ATOM 1264 O LYS A 132 13.522 1.411 -3.057 1.00 24.22 O ATOM 1265 CB LYS A 132 16.612 2.267 -2.249 1.00 64.20 C ATOM 1266 CG LYS A 132 16.188 1.149 -1.309 1.00 21.31 C ATOM 1267 CD LYS A 132 17.276 0.743 -0.367 1.00 42.11 C ATOM 1268 CE LYS A 132 16.925 -0.591 0.255 1.00 64.02 C ATOM 1269 NZ LYS A 132 17.912 -1.046 1.258 1.00 75.51 N ATOM 0 H LYS A 132 14.305 3.534 -1.956 1.00 61.50 H new ATOM 0 HA LYS A 132 16.086 2.883 -4.239 1.00 52.44 H new ATOM 0 HB2 LYS A 132 17.541 1.981 -2.742 1.00 64.20 H new ATOM 0 HB3 LYS A 132 16.825 3.161 -1.662 1.00 64.20 H new ATOM 0 HG2 LYS A 132 15.319 1.472 -0.736 1.00 21.31 H new ATOM 0 HG3 LYS A 132 15.880 0.284 -1.896 1.00 21.31 H new ATOM 0 HD2 LYS A 132 18.225 0.671 -0.898 1.00 42.11 H new ATOM 0 HD3 LYS A 132 17.401 1.498 0.409 1.00 42.11 H new ATOM 0 HE2 LYS A 132 15.945 -0.518 0.727 1.00 64.02 H new ATOM 0 HE3 LYS A 132 16.845 -1.341 -0.532 1.00 64.02 H new ATOM 0 HZ1 LYS A 132 17.615 -1.964 1.646 1.00 75.51 H new ATOM 0 HZ2 LYS A 132 18.844 -1.146 0.807 1.00 75.51 H new ATOM 0 HZ3 LYS A 132 17.972 -0.348 2.027 1.00 75.51 H new ATOM 1283 N LEU A 133 15.100 0.389 -4.220 1.00 21.13 N ATOM 1284 CA LEU A 133 14.286 -0.776 -4.456 1.00 22.34 C ATOM 1285 C LEU A 133 15.035 -2.025 -4.019 1.00 55.02 C ATOM 1286 O LEU A 133 16.213 -2.206 -4.346 1.00 60.52 O ATOM 1287 CB LEU A 133 13.813 -0.899 -5.928 1.00 70.54 C ATOM 1288 CG LEU A 133 14.899 -0.978 -7.018 1.00 31.22 C ATOM 1289 CD1 LEU A 133 14.313 -1.566 -8.292 1.00 12.34 C ATOM 1290 CD2 LEU A 133 15.468 0.402 -7.332 1.00 32.31 C ATOM 0 H LEU A 133 16.037 0.342 -4.620 1.00 21.13 H new ATOM 0 HA LEU A 133 13.382 -0.665 -3.858 1.00 22.34 H new ATOM 0 HB2 LEU A 133 13.190 -1.790 -6.008 1.00 70.54 H new ATOM 0 HB3 LEU A 133 13.175 -0.043 -6.149 1.00 70.54 H new ATOM 0 HG LEU A 133 15.700 -1.614 -6.642 1.00 31.22 H new ATOM 0 HD11 LEU A 133 15.087 -1.619 -9.058 1.00 12.34 H new ATOM 0 HD12 LEU A 133 13.934 -2.568 -8.090 1.00 12.34 H new ATOM 0 HD13 LEU A 133 13.498 -0.934 -8.643 1.00 12.34 H new ATOM 0 HD21 LEU A 133 16.232 0.313 -8.105 1.00 32.31 H new ATOM 0 HD22 LEU A 133 14.669 1.053 -7.685 1.00 32.31 H new ATOM 0 HD23 LEU A 133 15.911 0.827 -6.431 1.00 32.31 H new ATOM 1302 N THR A 134 14.379 -2.840 -3.254 1.00 12.11 N ATOM 1303 CA THR A 134 14.937 -4.059 -2.748 1.00 72.43 C ATOM 1304 C THR A 134 13.836 -5.124 -2.748 1.00 1.01 C ATOM 1305 O THR A 134 12.797 -4.924 -2.160 1.00 64.22 O ATOM 1306 CB THR A 134 15.507 -3.831 -1.298 1.00 63.04 C ATOM 1307 OG1 THR A 134 16.055 -5.038 -0.747 1.00 20.34 O ATOM 1308 CG2 THR A 134 14.463 -3.237 -0.341 1.00 11.52 C ATOM 0 H THR A 134 13.418 -2.674 -2.956 1.00 12.11 H new ATOM 0 HA THR A 134 15.763 -4.391 -3.377 1.00 72.43 H new ATOM 0 HB THR A 134 16.311 -3.102 -1.403 1.00 63.04 H new ATOM 0 HG1 THR A 134 16.401 -4.859 0.152 1.00 20.34 H new ATOM 0 HG21 THR A 134 14.909 -3.100 0.644 1.00 11.52 H new ATOM 0 HG22 THR A 134 14.125 -2.274 -0.723 1.00 11.52 H new ATOM 0 HG23 THR A 134 13.613 -3.915 -0.264 1.00 11.52 H new ATOM 1316 N MET A 135 14.000 -6.229 -3.431 1.00 40.21 N ATOM 1317 CA MET A 135 12.917 -7.173 -3.370 1.00 33.14 C ATOM 1318 C MET A 135 13.242 -8.213 -2.376 1.00 65.34 C ATOM 1319 O MET A 135 14.084 -9.084 -2.622 1.00 4.42 O ATOM 1320 CB MET A 135 12.689 -7.842 -4.726 1.00 2.04 C ATOM 1321 CG MET A 135 11.600 -8.917 -4.707 1.00 54.45 C ATOM 1322 SD MET A 135 11.302 -9.680 -6.315 1.00 43.55 S ATOM 1323 CE MET A 135 12.915 -10.391 -6.675 1.00 31.13 C ATOM 0 H MET A 135 14.810 -6.485 -3.996 1.00 40.21 H new ATOM 0 HA MET A 135 12.010 -6.638 -3.089 1.00 33.14 H new ATOM 0 HB2 MET A 135 12.421 -7.079 -5.457 1.00 2.04 H new ATOM 0 HB3 MET A 135 13.624 -8.291 -5.062 1.00 2.04 H new ATOM 0 HG2 MET A 135 11.880 -9.692 -3.994 1.00 54.45 H new ATOM 0 HG3 MET A 135 10.671 -8.474 -4.348 1.00 54.45 H new ATOM 0 HE1 MET A 135 12.819 -11.123 -7.477 1.00 31.13 H new ATOM 0 HE2 MET A 135 13.600 -9.601 -6.984 1.00 31.13 H new ATOM 0 HE3 MET A 135 13.304 -10.881 -5.782 1.00 31.13 H new ATOM 1333 N VAL A 136 12.582 -8.130 -1.262 1.00 33.34 N ATOM 1334 CA VAL A 136 12.648 -9.117 -0.240 1.00 44.02 C ATOM 1335 C VAL A 136 11.316 -9.179 0.478 1.00 43.53 C ATOM 1336 O VAL A 136 11.010 -8.326 1.254 1.00 72.13 O ATOM 1337 CB VAL A 136 13.814 -8.818 0.772 1.00 64.13 C ATOM 1338 CG1 VAL A 136 15.122 -9.361 0.235 1.00 74.21 C ATOM 1339 CG2 VAL A 136 13.968 -7.303 0.993 1.00 42.11 C ATOM 0 H VAL A 136 11.966 -7.349 -1.037 1.00 33.34 H new ATOM 0 HA VAL A 136 12.859 -10.083 -0.697 1.00 44.02 H new ATOM 0 HB VAL A 136 13.568 -9.301 1.718 1.00 64.13 H new ATOM 0 HG11 VAL A 136 15.922 -9.148 0.944 1.00 74.21 H new ATOM 0 HG12 VAL A 136 15.038 -10.439 0.095 1.00 74.21 H new ATOM 0 HG13 VAL A 136 15.348 -8.887 -0.720 1.00 74.21 H new ATOM 0 HG21 VAL A 136 14.780 -7.119 1.696 1.00 42.11 H new ATOM 0 HG22 VAL A 136 14.193 -6.818 0.043 1.00 42.11 H new ATOM 0 HG23 VAL A 136 13.040 -6.898 1.396 1.00 42.11 H new ATOM 1349 N LYS A 137 10.555 -10.172 0.280 1.00 23.03 N ATOM 1350 CA LYS A 137 9.334 -10.250 1.015 1.00 53.12 C ATOM 1351 C LYS A 137 9.175 -11.659 1.430 1.00 22.45 C ATOM 1352 O LYS A 137 9.117 -12.556 0.591 1.00 12.34 O ATOM 1353 CB LYS A 137 8.156 -9.734 0.202 1.00 52.42 C ATOM 1354 CG LYS A 137 6.942 -9.296 1.007 1.00 33.43 C ATOM 1355 CD LYS A 137 7.313 -8.110 1.873 1.00 24.21 C ATOM 1356 CE LYS A 137 6.134 -7.237 2.312 1.00 63.43 C ATOM 1357 NZ LYS A 137 6.592 -6.354 3.365 1.00 1.33 N ATOM 0 H LYS A 137 10.735 -10.938 -0.369 1.00 23.03 H new ATOM 0 HA LYS A 137 9.364 -9.608 1.896 1.00 53.12 H new ATOM 0 HB2 LYS A 137 8.495 -8.890 -0.399 1.00 52.42 H new ATOM 0 HB3 LYS A 137 7.847 -10.516 -0.492 1.00 52.42 H new ATOM 0 HG2 LYS A 137 6.125 -9.029 0.337 1.00 33.43 H new ATOM 0 HG3 LYS A 137 6.589 -10.118 1.629 1.00 33.43 H new ATOM 0 HD2 LYS A 137 7.827 -8.475 2.762 1.00 24.21 H new ATOM 0 HD3 LYS A 137 8.023 -7.488 1.327 1.00 24.21 H new ATOM 0 HE2 LYS A 137 5.755 -6.659 1.469 1.00 63.43 H new ATOM 0 HE3 LYS A 137 5.312 -7.859 2.668 1.00 63.43 H new ATOM 0 HZ1 LYS A 137 5.772 -5.964 3.872 1.00 1.33 H new ATOM 0 HZ2 LYS A 137 7.189 -6.887 4.030 1.00 1.33 H new ATOM 0 HZ3 LYS A 137 7.144 -5.576 2.950 1.00 1.33 H new ATOM 1371 N ARG A 138 9.172 -11.893 2.681 1.00 50.20 N ATOM 1372 CA ARG A 138 9.139 -13.228 3.132 1.00 25.31 C ATOM 1373 C ARG A 138 7.799 -13.563 3.725 1.00 14.44 C ATOM 1374 O ARG A 138 7.001 -12.653 3.998 1.00 11.34 O ATOM 1375 CB ARG A 138 10.349 -13.567 4.029 1.00 35.21 C ATOM 1376 CG ARG A 138 11.700 -13.501 3.272 1.00 22.32 C ATOM 1377 CD ARG A 138 12.230 -12.067 3.074 1.00 45.13 C ATOM 1378 NE ARG A 138 12.787 -11.474 4.298 1.00 14.42 N ATOM 1379 CZ ARG A 138 12.963 -10.151 4.516 1.00 43.43 C ATOM 1380 NH1 ARG A 138 12.387 -9.246 3.725 1.00 54.24 N ATOM 1381 NH2 ARG A 138 13.689 -9.745 5.545 1.00 51.20 N ATOM 0 H ARG A 138 9.192 -11.182 3.412 1.00 50.20 H new ATOM 0 HA ARG A 138 9.250 -13.890 2.273 1.00 25.31 H new ATOM 0 HB2 ARG A 138 10.376 -12.875 4.871 1.00 35.21 H new ATOM 0 HB3 ARG A 138 10.219 -14.567 4.443 1.00 35.21 H new ATOM 0 HG2 ARG A 138 12.442 -14.081 3.821 1.00 22.32 H new ATOM 0 HG3 ARG A 138 11.583 -13.974 2.297 1.00 22.32 H new ATOM 0 HD2 ARG A 138 12.999 -12.076 2.301 1.00 45.13 H new ATOM 0 HD3 ARG A 138 11.420 -11.436 2.710 1.00 45.13 H new ATOM 0 HE ARG A 138 13.063 -12.112 5.044 1.00 14.42 H new ATOM 0 HH11 ARG A 138 11.805 -9.548 2.944 1.00 54.24 H new ATOM 0 HH12 ARG A 138 12.528 -8.251 3.901 1.00 54.24 H new ATOM 0 HH21 ARG A 138 14.114 -10.429 6.171 1.00 51.20 H new ATOM 0 HH22 ARG A 138 13.824 -8.748 5.712 1.00 51.20 H new ATOM 1395 N ASN A 139 7.518 -14.858 3.809 1.00 35.14 N ATOM 1396 CA ASN A 139 6.247 -15.432 4.304 1.00 73.02 C ATOM 1397 C ASN A 139 5.104 -15.277 3.292 1.00 3.23 C ATOM 1398 O ASN A 139 4.452 -16.256 2.925 1.00 3.42 O ATOM 1399 CB ASN A 139 5.847 -14.884 5.700 1.00 4.42 C ATOM 1400 CG ASN A 139 4.508 -15.421 6.202 1.00 12.52 C ATOM 1401 OD1 ASN A 139 3.450 -14.814 5.993 1.00 75.01 O ATOM 1402 ND2 ASN A 139 4.539 -16.558 6.849 1.00 31.33 N ATOM 0 H ASN A 139 8.187 -15.574 3.526 1.00 35.14 H new ATOM 0 HA ASN A 139 6.429 -16.500 4.424 1.00 73.02 H new ATOM 0 HB2 ASN A 139 6.625 -15.140 6.419 1.00 4.42 H new ATOM 0 HB3 ASN A 139 5.800 -13.796 5.655 1.00 4.42 H new ATOM 0 HD21 ASN A 139 3.674 -16.970 7.198 1.00 31.33 H new ATOM 0 HD22 ASN A 139 5.429 -17.032 7.004 1.00 31.33 H new ATOM 1409 N ASN A 140 4.912 -14.074 2.821 1.00 2.02 N ATOM 1410 CA ASN A 140 3.806 -13.742 1.930 1.00 54.43 C ATOM 1411 C ASN A 140 4.089 -14.167 0.481 1.00 5.23 C ATOM 1412 O ASN A 140 3.616 -15.198 0.015 1.00 12.43 O ATOM 1413 CB ASN A 140 3.530 -12.229 1.952 1.00 34.21 C ATOM 1414 CG ASN A 140 3.356 -11.635 3.326 1.00 34.32 C ATOM 1415 OD1 ASN A 140 2.265 -11.579 3.854 1.00 51.43 O ATOM 1416 ND2 ASN A 140 4.441 -11.164 3.904 1.00 3.33 N ATOM 0 H ASN A 140 5.517 -13.283 3.040 1.00 2.02 H new ATOM 0 HA ASN A 140 2.936 -14.289 2.293 1.00 54.43 H new ATOM 0 HB2 ASN A 140 4.353 -11.717 1.453 1.00 34.21 H new ATOM 0 HB3 ASN A 140 2.630 -12.030 1.370 1.00 34.21 H new ATOM 0 HD21 ASN A 140 4.381 -10.734 4.827 1.00 3.33 H new ATOM 0 HD22 ASN A 140 5.341 -11.229 3.429 1.00 3.33 H new ATOM 1423 N GLN A 141 4.893 -13.372 -0.206 1.00 4.44 N ATOM 1424 CA GLN A 141 5.217 -13.562 -1.608 1.00 23.31 C ATOM 1425 C GLN A 141 6.438 -12.736 -1.882 1.00 75.12 C ATOM 1426 O GLN A 141 6.801 -11.950 -1.037 1.00 43.24 O ATOM 1427 CB GLN A 141 4.079 -13.036 -2.506 1.00 24.01 C ATOM 1428 CG GLN A 141 3.906 -11.515 -2.575 1.00 25.13 C ATOM 1429 CD GLN A 141 3.417 -10.868 -1.302 1.00 62.41 C ATOM 1430 OE1 GLN A 141 2.244 -10.741 -1.068 1.00 2.25 O ATOM 1431 NE2 GLN A 141 4.314 -10.427 -0.496 1.00 0.11 N ATOM 0 H GLN A 141 5.348 -12.558 0.207 1.00 4.44 H new ATOM 0 HA GLN A 141 5.369 -14.621 -1.816 1.00 23.31 H new ATOM 0 HB2 GLN A 141 4.245 -13.406 -3.518 1.00 24.01 H new ATOM 0 HB3 GLN A 141 3.142 -13.470 -2.157 1.00 24.01 H new ATOM 0 HG2 GLN A 141 4.862 -11.068 -2.847 1.00 25.13 H new ATOM 0 HG3 GLN A 141 3.205 -11.281 -3.376 1.00 25.13 H new ATOM 0 HE21 GLN A 141 5.302 -10.547 -0.718 1.00 0.11 H new ATOM 0 HE22 GLN A 141 4.038 -9.956 0.366 1.00 0.11 H new ATOM 1440 N THR A 142 7.020 -12.848 -3.044 1.00 71.42 N ATOM 1441 CA THR A 142 8.156 -12.032 -3.377 1.00 23.04 C ATOM 1442 C THR A 142 7.750 -10.805 -4.197 1.00 35.43 C ATOM 1443 O THR A 142 7.317 -10.903 -5.339 1.00 20.11 O ATOM 1444 CB THR A 142 9.275 -12.840 -4.044 1.00 12.03 C ATOM 1445 OG1 THR A 142 8.719 -13.765 -5.017 1.00 64.23 O ATOM 1446 CG2 THR A 142 10.080 -13.593 -2.983 1.00 13.51 C ATOM 0 H THR A 142 6.727 -13.495 -3.776 1.00 71.42 H new ATOM 0 HA THR A 142 8.569 -11.660 -2.439 1.00 23.04 H new ATOM 0 HB THR A 142 9.943 -12.155 -4.567 1.00 12.03 H new ATOM 0 HG1 THR A 142 9.444 -14.273 -5.437 1.00 64.23 H new ATOM 0 HG21 THR A 142 10.873 -14.164 -3.466 1.00 13.51 H new ATOM 0 HG22 THR A 142 10.520 -12.880 -2.286 1.00 13.51 H new ATOM 0 HG23 THR A 142 9.422 -14.272 -2.441 1.00 13.51 H new ATOM 1454 N ILE A 143 7.868 -9.675 -3.562 1.00 13.13 N ATOM 1455 CA ILE A 143 7.471 -8.381 -4.061 1.00 13.00 C ATOM 1456 C ILE A 143 8.551 -7.359 -3.761 1.00 42.15 C ATOM 1457 O ILE A 143 9.359 -7.580 -2.852 1.00 34.44 O ATOM 1458 CB ILE A 143 6.061 -7.930 -3.592 1.00 30.21 C ATOM 1459 CG1 ILE A 143 5.894 -8.070 -2.111 1.00 51.13 C ATOM 1460 CG2 ILE A 143 4.961 -8.652 -4.329 1.00 24.11 C ATOM 1461 CD1 ILE A 143 6.556 -6.972 -1.348 1.00 45.41 C ATOM 0 H ILE A 143 8.268 -9.625 -2.625 1.00 13.13 H new ATOM 0 HA ILE A 143 7.370 -8.467 -5.143 1.00 13.00 H new ATOM 0 HB ILE A 143 5.979 -6.871 -3.836 1.00 30.21 H new ATOM 0 HG12 ILE A 143 4.831 -8.084 -1.870 1.00 51.13 H new ATOM 0 HG13 ILE A 143 6.306 -9.027 -1.792 1.00 51.13 H new ATOM 0 HG21 ILE A 143 3.993 -8.305 -3.968 1.00 24.11 H new ATOM 0 HG22 ILE A 143 5.045 -8.449 -5.397 1.00 24.11 H new ATOM 0 HG23 ILE A 143 5.050 -9.724 -4.155 1.00 24.11 H new ATOM 0 HD11 ILE A 143 6.401 -7.126 -0.280 1.00 45.41 H new ATOM 0 HD12 ILE A 143 7.624 -6.972 -1.564 1.00 45.41 H new ATOM 0 HD13 ILE A 143 6.126 -6.014 -1.642 1.00 45.41 H new ATOM 1473 N PHE A 144 8.610 -6.305 -4.518 1.00 24.31 N ATOM 1474 CA PHE A 144 9.701 -5.366 -4.439 1.00 11.44 C ATOM 1475 C PHE A 144 9.385 -4.320 -3.393 1.00 14.44 C ATOM 1476 O PHE A 144 8.356 -3.651 -3.452 1.00 61.52 O ATOM 1477 CB PHE A 144 9.820 -4.640 -5.786 1.00 43.22 C ATOM 1478 CG PHE A 144 10.163 -5.511 -6.953 1.00 63.02 C ATOM 1479 CD1 PHE A 144 9.164 -6.114 -7.711 1.00 11.33 C ATOM 1480 CD2 PHE A 144 11.481 -5.719 -7.301 1.00 1.03 C ATOM 1481 CE1 PHE A 144 9.485 -6.909 -8.792 1.00 24.13 C ATOM 1482 CE2 PHE A 144 11.809 -6.511 -8.381 1.00 11.41 C ATOM 1483 CZ PHE A 144 10.809 -7.107 -9.127 1.00 44.33 C ATOM 0 H PHE A 144 7.902 -6.066 -5.213 1.00 24.31 H new ATOM 0 HA PHE A 144 10.620 -5.897 -4.190 1.00 11.44 H new ATOM 0 HB2 PHE A 144 8.875 -4.137 -5.994 1.00 43.22 H new ATOM 0 HB3 PHE A 144 10.581 -3.865 -5.696 1.00 43.22 H new ATOM 0 HD1 PHE A 144 8.127 -5.958 -7.451 1.00 11.33 H new ATOM 0 HD2 PHE A 144 12.266 -5.256 -6.721 1.00 1.03 H new ATOM 0 HE1 PHE A 144 8.703 -7.375 -9.374 1.00 24.13 H new ATOM 0 HE2 PHE A 144 12.845 -6.666 -8.644 1.00 11.41 H new ATOM 0 HZ PHE A 144 11.064 -7.728 -9.973 1.00 44.33 H new ATOM 1493 N GLU A 145 10.255 -4.212 -2.424 1.00 33.23 N ATOM 1494 CA GLU A 145 10.096 -3.292 -1.362 1.00 61.32 C ATOM 1495 C GLU A 145 10.858 -2.035 -1.720 1.00 73.23 C ATOM 1496 O GLU A 145 11.928 -2.094 -2.333 1.00 62.53 O ATOM 1497 CB GLU A 145 10.610 -3.878 -0.028 1.00 40.43 C ATOM 1498 CG GLU A 145 10.101 -5.269 0.313 1.00 50.11 C ATOM 1499 CD GLU A 145 10.005 -5.499 1.814 1.00 12.15 C ATOM 1500 OE1 GLU A 145 11.007 -5.820 2.459 1.00 21.31 O ATOM 1501 OE2 GLU A 145 8.873 -5.351 2.391 1.00 33.22 O ATOM 0 H GLU A 145 11.103 -4.776 -2.362 1.00 33.23 H new ATOM 0 HA GLU A 145 9.038 -3.070 -1.223 1.00 61.32 H new ATOM 0 HB2 GLU A 145 11.699 -3.906 -0.059 1.00 40.43 H new ATOM 0 HB3 GLU A 145 10.331 -3.200 0.778 1.00 40.43 H new ATOM 0 HG2 GLU A 145 9.119 -5.414 -0.138 1.00 50.11 H new ATOM 0 HG3 GLU A 145 10.766 -6.014 -0.124 1.00 50.11 H new ATOM 1508 N GLN A 146 10.315 -0.922 -1.385 1.00 50.43 N ATOM 1509 CA GLN A 146 10.910 0.324 -1.731 1.00 3.24 C ATOM 1510 C GLN A 146 11.158 1.119 -0.448 1.00 14.31 C ATOM 1511 O GLN A 146 10.201 1.476 0.260 1.00 73.02 O ATOM 1512 CB GLN A 146 9.956 1.059 -2.691 1.00 32.14 C ATOM 1513 CG GLN A 146 10.649 2.050 -3.586 1.00 50.42 C ATOM 1514 CD GLN A 146 9.743 2.713 -4.594 1.00 42.01 C ATOM 1515 OE1 GLN A 146 9.561 2.223 -5.697 1.00 74.20 O ATOM 1516 NE2 GLN A 146 9.189 3.842 -4.241 1.00 62.33 N ATOM 0 H GLN A 146 9.443 -0.845 -0.862 1.00 50.43 H new ATOM 0 HA GLN A 146 11.868 0.191 -2.233 1.00 3.24 H new ATOM 0 HB2 GLN A 146 9.438 0.325 -3.308 1.00 32.14 H new ATOM 0 HB3 GLN A 146 9.196 1.578 -2.108 1.00 32.14 H new ATOM 0 HG2 GLN A 146 11.111 2.820 -2.968 1.00 50.42 H new ATOM 0 HG3 GLN A 146 11.454 1.542 -4.117 1.00 50.42 H new ATOM 0 HE21 GLN A 146 9.361 4.226 -3.312 1.00 62.33 H new ATOM 0 HE22 GLN A 146 8.585 4.340 -4.895 1.00 62.33 H new ATOM 1525 N THR A 147 12.423 1.333 -0.111 1.00 63.32 N ATOM 1526 CA THR A 147 12.803 2.048 1.110 1.00 33.44 C ATOM 1527 C THR A 147 13.426 3.364 0.753 1.00 21.12 C ATOM 1528 O THR A 147 13.851 3.570 -0.378 1.00 34.44 O ATOM 1529 CB THR A 147 13.831 1.247 1.938 1.00 55.22 C ATOM 1530 OG1 THR A 147 14.071 -0.020 1.302 1.00 20.53 O ATOM 1531 CG2 THR A 147 13.331 1.024 3.368 1.00 31.41 C ATOM 0 H THR A 147 13.215 1.019 -0.671 1.00 63.32 H new ATOM 0 HA THR A 147 11.897 2.190 1.700 1.00 33.44 H new ATOM 0 HB THR A 147 14.758 1.818 1.988 1.00 55.22 H new ATOM 0 HG1 THR A 147 14.439 -0.650 1.956 1.00 20.53 H new ATOM 0 HG21 THR A 147 14.074 0.457 3.929 1.00 31.41 H new ATOM 0 HG22 THR A 147 13.169 1.988 3.851 1.00 31.41 H new ATOM 0 HG23 THR A 147 12.394 0.468 3.343 1.00 31.41 H new ATOM 1539 N ILE A 148 13.484 4.236 1.691 1.00 43.05 N ATOM 1540 CA ILE A 148 14.059 5.531 1.504 1.00 53.21 C ATOM 1541 C ILE A 148 15.384 5.546 2.206 1.00 71.31 C ATOM 1542 O ILE A 148 15.637 4.722 3.073 1.00 40.04 O ATOM 1543 CB ILE A 148 13.152 6.615 2.096 1.00 15.33 C ATOM 1544 CG1 ILE A 148 11.732 6.289 1.695 1.00 72.44 C ATOM 1545 CG2 ILE A 148 13.546 7.966 1.509 1.00 22.31 C ATOM 1546 CD1 ILE A 148 10.659 6.919 2.507 1.00 60.04 C ATOM 0 H ILE A 148 13.128 4.073 2.633 1.00 43.05 H new ATOM 0 HA ILE A 148 14.178 5.735 0.440 1.00 53.21 H new ATOM 0 HB ILE A 148 13.246 6.654 3.181 1.00 15.33 H new ATOM 0 HG12 ILE A 148 11.593 6.585 0.655 1.00 72.44 H new ATOM 0 HG13 ILE A 148 11.604 5.207 1.738 1.00 72.44 H new ATOM 0 HG21 ILE A 148 12.906 8.744 1.925 1.00 22.31 H new ATOM 0 HG22 ILE A 148 14.586 8.181 1.756 1.00 22.31 H new ATOM 0 HG23 ILE A 148 13.429 7.940 0.426 1.00 22.31 H new ATOM 0 HD11 ILE A 148 9.686 6.611 2.125 1.00 60.04 H new ATOM 0 HD12 ILE A 148 10.757 6.605 3.546 1.00 60.04 H new ATOM 0 HD13 ILE A 148 10.746 8.004 2.446 1.00 60.04 H new ATOM 1558 N ASN A 149 16.239 6.403 1.782 1.00 50.13 N ATOM 1559 CA ASN A 149 17.547 6.551 2.363 1.00 31.14 C ATOM 1560 C ASN A 149 17.555 7.667 3.399 1.00 74.12 C ATOM 1561 O ASN A 149 18.595 7.996 3.959 1.00 62.04 O ATOM 1562 CB ASN A 149 18.570 6.851 1.244 1.00 52.42 C ATOM 1563 CG ASN A 149 18.140 7.959 0.264 1.00 42.02 C ATOM 1564 OD1 ASN A 149 17.422 8.969 0.733 1.00 51.23 O flip ATOM 1565 ND2 ASN A 149 18.470 7.904 -0.909 1.00 50.34 N flip ATOM 0 H ASN A 149 16.057 7.040 1.006 1.00 50.13 H new ATOM 0 HA ASN A 149 17.819 5.623 2.867 1.00 31.14 H new ATOM 0 HB2 ASN A 149 19.517 7.136 1.702 1.00 52.42 H new ATOM 0 HB3 ASN A 149 18.752 5.936 0.681 1.00 52.42 H new ATOM 0 HD21 ASN A 149 19.023 7.116 -1.247 1.00 50.34 H new ATOM 0 HD22 ASN A 149 18.193 8.646 -1.552 1.00 50.34 H new ATOM 1572 N ASP A 150 16.387 8.243 3.664 1.00 42.51 N ATOM 1573 CA ASP A 150 16.333 9.443 4.495 1.00 25.22 C ATOM 1574 C ASP A 150 15.033 9.571 5.249 1.00 1.23 C ATOM 1575 O ASP A 150 15.021 9.726 6.466 1.00 33.13 O ATOM 1576 CB ASP A 150 16.479 10.636 3.607 1.00 70.23 C ATOM 1577 CG ASP A 150 16.690 11.906 4.388 1.00 22.10 C ATOM 1578 OD1 ASP A 150 17.802 12.099 4.929 1.00 72.41 O ATOM 1579 OD2 ASP A 150 15.775 12.731 4.479 1.00 21.24 O ATOM 0 H ASP A 150 15.484 7.909 3.325 1.00 42.51 H new ATOM 0 HA ASP A 150 17.137 9.375 5.228 1.00 25.22 H new ATOM 0 HB2 ASP A 150 17.321 10.483 2.932 1.00 70.23 H new ATOM 0 HB3 ASP A 150 15.588 10.737 2.988 1.00 70.23 H new ATOM 1584 N LEU A 151 13.934 9.449 4.526 1.00 73.03 N ATOM 1585 CA LEU A 151 12.573 9.619 5.071 1.00 2.52 C ATOM 1586 C LEU A 151 12.125 8.327 5.767 1.00 32.51 C ATOM 1587 O LEU A 151 10.942 8.061 5.951 1.00 52.44 O ATOM 1588 CB LEU A 151 11.633 9.950 3.918 1.00 32.34 C ATOM 1589 CG LEU A 151 12.061 11.099 3.017 1.00 71.35 C ATOM 1590 CD1 LEU A 151 11.566 10.853 1.621 1.00 3.32 C ATOM 1591 CD2 LEU A 151 11.493 12.396 3.508 1.00 34.12 C ATOM 0 H LEU A 151 13.948 9.227 3.531 1.00 73.03 H new ATOM 0 HA LEU A 151 12.558 10.426 5.804 1.00 2.52 H new ATOM 0 HB2 LEU A 151 11.515 9.057 3.304 1.00 32.34 H new ATOM 0 HB3 LEU A 151 10.652 10.184 4.331 1.00 32.34 H new ATOM 0 HG LEU A 151 13.149 11.158 3.028 1.00 71.35 H new ATOM 0 HD11 LEU A 151 11.873 11.676 0.976 1.00 3.32 H new ATOM 0 HD12 LEU A 151 11.987 9.921 1.245 1.00 3.32 H new ATOM 0 HD13 LEU A 151 10.478 10.783 1.628 1.00 3.32 H new ATOM 0 HD21 LEU A 151 11.811 13.205 2.850 1.00 34.12 H new ATOM 0 HD22 LEU A 151 10.405 12.338 3.512 1.00 34.12 H new ATOM 0 HD23 LEU A 151 11.850 12.590 4.520 1.00 34.12 H new ATOM 1603 N THR A 152 13.102 7.555 6.139 1.00 55.43 N ATOM 1604 CA THR A 152 12.974 6.312 6.850 1.00 71.30 C ATOM 1605 C THR A 152 12.550 6.588 8.314 1.00 55.30 C ATOM 1606 O THR A 152 12.088 5.695 9.028 1.00 51.12 O ATOM 1607 CB THR A 152 14.357 5.648 6.815 1.00 53.43 C ATOM 1608 OG1 THR A 152 14.835 5.761 5.478 1.00 54.41 O ATOM 1609 CG2 THR A 152 14.312 4.167 7.183 1.00 22.00 C ATOM 0 H THR A 152 14.075 7.790 5.942 1.00 55.43 H new ATOM 0 HA THR A 152 12.218 5.669 6.399 1.00 71.30 H new ATOM 0 HB THR A 152 15.000 6.142 7.544 1.00 53.43 H new ATOM 0 HG1 THR A 152 14.229 5.285 4.873 1.00 54.41 H new ATOM 0 HG21 THR A 152 15.319 3.751 7.141 1.00 22.00 H new ATOM 0 HG22 THR A 152 13.915 4.055 8.192 1.00 22.00 H new ATOM 0 HG23 THR A 152 13.671 3.637 6.479 1.00 22.00 H new ATOM 1617 N PHE A 153 12.740 7.826 8.743 1.00 74.21 N ATOM 1618 CA PHE A 153 12.342 8.277 10.068 1.00 21.42 C ATOM 1619 C PHE A 153 11.658 9.626 9.945 1.00 33.21 C ATOM 1620 O PHE A 153 11.951 10.386 8.991 1.00 41.44 O ATOM 1621 CB PHE A 153 13.558 8.409 10.996 1.00 61.25 C ATOM 1622 CG PHE A 153 14.281 7.119 11.275 1.00 74.32 C ATOM 1623 CD1 PHE A 153 13.881 6.300 12.316 1.00 53.50 C ATOM 1624 CD2 PHE A 153 15.361 6.728 10.497 1.00 30.41 C ATOM 1625 CE1 PHE A 153 14.543 5.118 12.579 1.00 12.23 C ATOM 1626 CE2 PHE A 153 16.024 5.548 10.756 1.00 1.45 C ATOM 1627 CZ PHE A 153 15.615 4.743 11.799 1.00 60.35 C ATOM 0 H PHE A 153 13.178 8.552 8.177 1.00 74.21 H new ATOM 0 HA PHE A 153 11.662 7.541 10.496 1.00 21.42 H new ATOM 0 HB2 PHE A 153 14.261 9.115 10.553 1.00 61.25 H new ATOM 0 HB3 PHE A 153 13.230 8.838 11.943 1.00 61.25 H new ATOM 0 HD1 PHE A 153 13.041 6.589 12.930 1.00 53.50 H new ATOM 0 HD2 PHE A 153 15.686 7.355 9.680 1.00 30.41 H new ATOM 0 HE1 PHE A 153 14.221 4.488 13.395 1.00 12.23 H new ATOM 0 HE2 PHE A 153 16.863 5.254 10.143 1.00 1.45 H new ATOM 0 HZ PHE A 153 16.135 3.819 12.004 1.00 60.35 H new TER 1637 PHE A 153 HETATM 1638 ZN ZN A 205 -6.546 -4.428 3.086 1.00 23.42 ZN HETATM 1639 ZN ZN A 305 5.920 4.529 3.625 1.00 1.10 ZN