USER MOD reduce.3.24.130724 H: found=0, std=0, add=1284, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1284 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 133 GLN : amide:sc= -0.251 X(o=-0.14,f=-0.52) USER MOD Set 1.2: A 137 GLN : amide:sc= 0.116 X(o=-0.14,f=-0.18) USER MOD Set 2.1: A 100 TYR OH : rot 180:sc= 0.229 USER MOD Set 2.2: A 112 TYR OH : rot -160:sc= 0.0622 USER MOD Set 2.3: A 138 ASN : amide:sc= 0.454 K(o=0.75,f=0.088) USER MOD Set 3.1: A 84 LYS NZ :NH3+ 145:sc= 0.0405 (180deg=0) USER MOD Set 3.2: A 88 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 63 MET CE :methyl 152:sc= -2.54! (180deg=-3.25) USER MOD Set 4.2: A 82 CYS SG : rot 64:sc= 0.0667 USER MOD Set 5.1: A 74 ASN :FLIP amide:sc= -1.25 F(o=-1.8!,f=-1) USER MOD Set 5.2: A 106 THR OG1 : rot -2:sc= 0.249 USER MOD Set 6.1: A 16 ASN : amide:sc= -0.429 X(o=-0.83,f=-0.66) USER MOD Set 6.2: A 19 GLN : amide:sc= -0.401 X(o=-0.83,f=-0.43) USER MOD Set 7.1: A 8 HIS : no HD1:sc= 0.105 K(o=-0.062,f=-1.6!) USER MOD Set 7.2: A 10 HIS : no HE2:sc= -0.167 K(o=-0.062,f=-1.2) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.115 (180deg=-0.515) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.111 (180deg=-0.132) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0187 K(o=-0.019,f=-1.7) USER MOD Single : A 9 SER OG : rot -86:sc= 0.185 USER MOD Single : A 11 MET CE :methyl -168:sc= -0.0535 (180deg=-0.304) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -117:sc= -0.468 (180deg=-3.61!) USER MOD Single : A 24 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 25 MET CE :methyl -177:sc= 0 (180deg=-0.00628) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 40 TYR OH : rot -165:sc= 0.419 USER MOD Single : A 42 GLN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.927 X(o=-0.93,f=-0.62) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 134:sc= 0.298 (180deg=-0.694) USER MOD Single : A 54 TYR OH : rot -145:sc= 0.781 USER MOD Single : A 57 THR OG1 : rot 84:sc= 0.6 USER MOD Single : A 61 HIS : no HE2:sc= -0.512 K(o=-0.51,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= -0.0309 (180deg=-0.197) USER MOD Single : A 69 LYS NZ :NH3+ -121:sc= 1 (180deg=0.352) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -122:sc= 0.905 (180deg=-0.495) USER MOD Single : A 72 TYR OH : rot -13:sc= -1.32 USER MOD Single : A 73 HIS : no HD1:sc= -1.81! C(o=-1.8!,f=-4.2!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0.644 USER MOD Single : A 89 ASN : amide:sc= -0.0415 X(o=-0.041,f=-0.11) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : +bothHN:sc= -0.883 K(o=-0.88,f=-2.7!) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.571 F(o=-1.3,f=-0.57) USER MOD Single : A 102 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.6) USER MOD Single : A 108 SER OG : rot -170:sc= 0 USER MOD Single : A 109 SER OG : rot 158:sc= -1.31 USER MOD Single : A 118 HIS : no HD1:sc= -2.55 K(o=-2.5,f=-3.1!) USER MOD Single : A 122 GLN : amide:sc=-0.00147 X(o=-0.0015,f=-0.076) USER MOD Single : A 126 GLN :FLIP amide:sc= -0.0483 F(o=-0.64,f=-0.048) USER MOD Single : A 127 HIS : no HE2:sc= -0.26 K(o=-0.26,f=-2.6) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 139 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.46) USER MOD Single : A 147 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 148 GLN : amide:sc= -0.565 K(o=-0.56,f=-1.9!) USER MOD Single : A 149 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.1) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= -0.804 K(o=-0.8,f=-4.2!) USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.748 35.261 8.294 1.00 2.35 N ATOM 2 CA MET A 1 26.876 35.749 6.886 1.00 32.52 C ATOM 3 C MET A 1 27.232 34.604 5.897 1.00 22.25 C ATOM 4 O MET A 1 27.507 34.879 4.719 1.00 63.13 O ATOM 5 CB MET A 1 27.944 36.874 6.788 1.00 20.44 C ATOM 6 CG MET A 1 27.645 38.126 7.620 1.00 31.34 C ATOM 7 SD MET A 1 28.870 39.433 7.387 1.00 73.32 S ATOM 8 CE MET A 1 30.384 38.606 7.877 1.00 35.44 C ATOM 0 H1 MET A 1 26.444 36.044 8.907 1.00 2.35 H new ATOM 0 H2 MET A 1 26.044 34.497 8.334 1.00 2.35 H new ATOM 0 H3 MET A 1 27.667 34.902 8.622 1.00 2.35 H new ATOM 0 HA MET A 1 25.902 36.147 6.602 1.00 32.52 H new ATOM 0 HB2 MET A 1 28.906 36.469 7.102 1.00 20.44 H new ATOM 0 HB3 MET A 1 28.047 37.167 5.743 1.00 20.44 H new ATOM 0 HG2 MET A 1 26.659 38.507 7.353 1.00 31.34 H new ATOM 0 HG3 MET A 1 27.607 37.855 8.675 1.00 31.34 H new ATOM 0 HE1 MET A 1 31.157 39.349 8.075 1.00 35.44 H new ATOM 0 HE2 MET A 1 30.204 38.021 8.779 1.00 35.44 H new ATOM 0 HE3 MET A 1 30.713 37.945 7.076 1.00 35.44 H new ATOM 20 N GLY A 2 27.246 33.333 6.385 1.00 62.41 N ATOM 21 CA GLY A 2 27.514 32.155 5.530 1.00 3.45 C ATOM 22 C GLY A 2 26.527 32.044 4.364 1.00 52.44 C ATOM 23 O GLY A 2 25.359 31.710 4.575 1.00 32.41 O ATOM 0 H GLY A 2 27.075 33.104 7.364 1.00 62.41 H new ATOM 0 HA2 GLY A 2 28.529 32.217 5.138 1.00 3.45 H new ATOM 0 HA3 GLY A 2 27.460 31.250 6.135 1.00 3.45 H new ATOM 27 N HIS A 3 27.009 32.351 3.141 1.00 54.44 N ATOM 28 CA HIS A 3 26.163 32.502 1.932 1.00 21.23 C ATOM 29 C HIS A 3 25.500 31.166 1.502 1.00 33.23 C ATOM 30 O HIS A 3 26.051 30.394 0.715 1.00 74.15 O ATOM 31 CB HIS A 3 26.985 33.121 0.771 1.00 12.01 C ATOM 32 CG HIS A 3 27.551 34.487 1.078 1.00 70.23 C ATOM 33 ND1 HIS A 3 26.815 35.650 0.994 1.00 13.54 N ATOM 34 CD2 HIS A 3 28.795 34.873 1.460 1.00 62.21 C ATOM 35 CE1 HIS A 3 27.574 36.677 1.314 1.00 2.22 C ATOM 36 NE2 HIS A 3 28.776 36.234 1.599 1.00 51.22 N ATOM 0 H HIS A 3 28.001 32.502 2.961 1.00 54.44 H new ATOM 0 HA HIS A 3 25.350 33.182 2.186 1.00 21.23 H new ATOM 0 HB2 HIS A 3 27.805 32.447 0.521 1.00 12.01 H new ATOM 0 HB3 HIS A 3 26.350 33.192 -0.112 1.00 12.01 H new ATOM 0 HD2 HIS A 3 29.643 34.225 1.624 1.00 62.21 H new ATOM 0 HE1 HIS A 3 27.260 37.710 1.338 1.00 2.22 H new ATOM 0 HE2 HIS A 3 29.569 36.812 1.879 1.00 51.22 H new ATOM 45 N HIS A 4 24.327 30.897 2.092 1.00 74.33 N ATOM 46 CA HIS A 4 23.488 29.723 1.796 1.00 21.23 C ATOM 47 C HIS A 4 22.023 30.185 1.666 1.00 21.12 C ATOM 48 O HIS A 4 21.316 30.321 2.669 1.00 24.31 O ATOM 49 CB HIS A 4 23.624 28.650 2.912 1.00 11.51 C ATOM 50 CG HIS A 4 24.965 27.973 2.981 1.00 65.45 C ATOM 51 ND1 HIS A 4 25.268 26.838 2.261 1.00 34.12 N ATOM 52 CD2 HIS A 4 26.077 28.255 3.706 1.00 31.10 C ATOM 53 CE1 HIS A 4 26.495 26.454 2.537 1.00 33.31 C ATOM 54 NE2 HIS A 4 27.005 27.294 3.408 1.00 53.44 N ATOM 0 H HIS A 4 23.924 31.504 2.806 1.00 74.33 H new ATOM 0 HA HIS A 4 23.816 29.268 0.861 1.00 21.23 H new ATOM 0 HB2 HIS A 4 23.421 29.120 3.874 1.00 11.51 H new ATOM 0 HB3 HIS A 4 22.857 27.890 2.760 1.00 11.51 H new ATOM 0 HD2 HIS A 4 26.205 29.082 4.389 1.00 31.10 H new ATOM 0 HE1 HIS A 4 26.998 25.594 2.119 1.00 33.31 H new ATOM 0 HE2 HIS A 4 27.945 27.239 3.801 1.00 53.44 H new ATOM 63 N HIS A 5 21.583 30.468 0.430 1.00 53.33 N ATOM 64 CA HIS A 5 20.249 31.051 0.168 1.00 52.31 C ATOM 65 C HIS A 5 19.373 30.097 -0.677 1.00 53.51 C ATOM 66 O HIS A 5 19.847 29.494 -1.645 1.00 45.34 O ATOM 67 CB HIS A 5 20.415 32.419 -0.544 1.00 72.13 C ATOM 68 CG HIS A 5 19.149 33.242 -0.634 1.00 33.22 C ATOM 69 ND1 HIS A 5 18.746 34.104 0.362 1.00 52.41 N ATOM 70 CD2 HIS A 5 18.199 33.336 -1.600 1.00 14.45 C ATOM 71 CE1 HIS A 5 17.617 34.682 0.019 1.00 2.44 C ATOM 72 NE2 HIS A 5 17.263 34.235 -1.165 1.00 74.12 N ATOM 0 H HIS A 5 22.133 30.302 -0.413 1.00 53.33 H new ATOM 0 HA HIS A 5 19.740 31.199 1.121 1.00 52.31 H new ATOM 0 HB2 HIS A 5 21.172 32.999 -0.016 1.00 72.13 H new ATOM 0 HB3 HIS A 5 20.792 32.245 -1.552 1.00 72.13 H new ATOM 0 HD2 HIS A 5 18.185 32.801 -2.538 1.00 14.45 H new ATOM 0 HE1 HIS A 5 17.072 35.403 0.610 1.00 2.44 H new ATOM 0 HE2 HIS A 5 16.426 34.513 -1.677 1.00 74.12 H new ATOM 81 N HIS A 6 18.095 29.965 -0.284 1.00 0.12 N ATOM 82 CA HIS A 6 17.067 29.228 -1.046 1.00 12.54 C ATOM 83 C HIS A 6 16.098 30.222 -1.717 1.00 24.41 C ATOM 84 O HIS A 6 15.698 31.224 -1.100 1.00 33.35 O ATOM 85 CB HIS A 6 16.272 28.284 -0.112 1.00 75.54 C ATOM 86 CG HIS A 6 17.111 27.252 0.597 1.00 43.54 C ATOM 87 ND1 HIS A 6 16.869 26.847 1.893 1.00 0.32 N ATOM 88 CD2 HIS A 6 18.160 26.506 0.170 1.00 24.44 C ATOM 89 CE1 HIS A 6 17.727 25.915 2.230 1.00 21.05 C ATOM 90 NE2 HIS A 6 18.521 25.687 1.205 1.00 51.23 N ATOM 0 H HIS A 6 17.740 30.371 0.582 1.00 0.12 H new ATOM 0 HA HIS A 6 17.565 28.632 -1.810 1.00 12.54 H new ATOM 0 HB2 HIS A 6 15.752 28.885 0.634 1.00 75.54 H new ATOM 0 HB3 HIS A 6 15.508 27.772 -0.698 1.00 75.54 H new ATOM 0 HD2 HIS A 6 18.624 26.550 -0.804 1.00 24.44 H new ATOM 0 HE1 HIS A 6 17.775 25.418 3.188 1.00 21.05 H new ATOM 0 HE2 HIS A 6 19.283 25.009 1.185 1.00 51.23 H new ATOM 99 N HIS A 7 15.729 29.945 -2.977 1.00 31.33 N ATOM 100 CA HIS A 7 14.735 30.758 -3.715 1.00 4.14 C ATOM 101 C HIS A 7 13.298 30.462 -3.210 1.00 23.50 C ATOM 102 O HIS A 7 13.043 29.387 -2.674 1.00 21.01 O ATOM 103 CB HIS A 7 14.859 30.493 -5.242 1.00 12.43 C ATOM 104 CG HIS A 7 14.592 29.068 -5.680 1.00 34.41 C ATOM 105 ND1 HIS A 7 15.579 28.104 -5.762 1.00 71.14 N ATOM 106 CD2 HIS A 7 13.442 28.444 -6.049 1.00 11.23 C ATOM 107 CE1 HIS A 7 15.051 26.970 -6.162 1.00 63.02 C ATOM 108 NE2 HIS A 7 13.761 27.150 -6.338 1.00 53.32 N ATOM 0 H HIS A 7 16.103 29.162 -3.513 1.00 31.33 H new ATOM 0 HA HIS A 7 14.938 31.813 -3.531 1.00 4.14 H new ATOM 0 HB2 HIS A 7 14.165 31.151 -5.765 1.00 12.43 H new ATOM 0 HB3 HIS A 7 15.864 30.771 -5.561 1.00 12.43 H new ATOM 0 HD2 HIS A 7 12.460 28.890 -6.103 1.00 11.23 H new ATOM 0 HE1 HIS A 7 15.586 26.045 -6.320 1.00 63.02 H new ATOM 0 HE2 HIS A 7 13.102 26.434 -6.643 1.00 53.32 H new ATOM 117 N HIS A 8 12.377 31.421 -3.360 1.00 10.14 N ATOM 118 CA HIS A 8 10.936 31.192 -3.068 1.00 23.42 C ATOM 119 C HIS A 8 10.325 30.206 -4.113 1.00 71.43 C ATOM 120 O HIS A 8 10.036 30.583 -5.258 1.00 35.45 O ATOM 121 CB HIS A 8 10.158 32.540 -2.983 1.00 23.21 C ATOM 122 CG HIS A 8 10.525 33.559 -4.034 1.00 23.55 C ATOM 123 ND1 HIS A 8 11.654 34.348 -3.939 1.00 35.34 N ATOM 124 CD2 HIS A 8 9.932 33.909 -5.201 1.00 31.54 C ATOM 125 CE1 HIS A 8 11.739 35.126 -4.995 1.00 52.44 C ATOM 126 NE2 HIS A 8 10.706 34.884 -5.770 1.00 30.32 N ATOM 0 H HIS A 8 12.592 32.365 -3.681 1.00 10.14 H new ATOM 0 HA HIS A 8 10.842 30.724 -2.088 1.00 23.42 H new ATOM 0 HB2 HIS A 8 9.091 32.331 -3.059 1.00 23.21 H new ATOM 0 HB3 HIS A 8 10.328 32.978 -1.999 1.00 23.21 H new ATOM 0 HD2 HIS A 8 9.020 33.496 -5.606 1.00 31.54 H new ATOM 0 HE1 HIS A 8 12.524 35.842 -5.192 1.00 52.44 H new ATOM 0 HE2 HIS A 8 10.511 35.350 -6.656 1.00 30.32 H new ATOM 135 N SER A 9 10.198 28.927 -3.691 1.00 2.22 N ATOM 136 CA SER A 9 9.824 27.789 -4.566 1.00 4.31 C ATOM 137 C SER A 9 8.402 27.904 -5.156 1.00 54.41 C ATOM 138 O SER A 9 7.406 27.900 -4.425 1.00 41.30 O ATOM 139 CB SER A 9 9.944 26.456 -3.789 1.00 61.04 C ATOM 140 OG SER A 9 11.297 26.161 -3.474 1.00 32.42 O ATOM 0 H SER A 9 10.354 28.652 -2.721 1.00 2.22 H new ATOM 0 HA SER A 9 10.522 27.812 -5.403 1.00 4.31 H new ATOM 0 HB2 SER A 9 9.359 26.514 -2.871 1.00 61.04 H new ATOM 0 HB3 SER A 9 9.522 25.646 -4.385 1.00 61.04 H new ATOM 0 HG SER A 9 11.713 25.691 -4.226 1.00 32.42 H new ATOM 146 N HIS A 10 8.325 28.002 -6.490 1.00 72.12 N ATOM 147 CA HIS A 10 7.055 27.958 -7.238 1.00 14.35 C ATOM 148 C HIS A 10 6.796 26.513 -7.730 1.00 13.04 C ATOM 149 O HIS A 10 5.915 25.826 -7.203 1.00 44.23 O ATOM 150 CB HIS A 10 7.089 28.965 -8.416 1.00 3.01 C ATOM 151 CG HIS A 10 7.292 30.396 -7.982 1.00 45.23 C ATOM 152 ND1 HIS A 10 6.305 31.146 -7.385 1.00 44.42 N ATOM 153 CD2 HIS A 10 8.371 31.213 -8.063 1.00 24.44 C ATOM 154 CE1 HIS A 10 6.766 32.347 -7.117 1.00 40.41 C ATOM 155 NE2 HIS A 10 8.014 32.419 -7.518 1.00 42.42 N ATOM 0 H HIS A 10 9.145 28.115 -7.086 1.00 72.12 H new ATOM 0 HA HIS A 10 6.234 28.249 -6.583 1.00 14.35 H new ATOM 0 HB2 HIS A 10 7.890 28.684 -9.100 1.00 3.01 H new ATOM 0 HB3 HIS A 10 6.155 28.892 -8.973 1.00 3.01 H new ATOM 0 HD1 HIS A 10 5.360 30.820 -7.182 1.00 44.42 H new ATOM 0 HD2 HIS A 10 9.335 30.960 -8.480 1.00 24.44 H new ATOM 0 HE1 HIS A 10 6.210 33.143 -6.645 1.00 40.41 H new ATOM 164 N MET A 11 7.578 26.051 -8.734 1.00 32.01 N ATOM 165 CA MET A 11 7.546 24.646 -9.221 1.00 65.24 C ATOM 166 C MET A 11 8.984 24.144 -9.530 1.00 2.24 C ATOM 167 O MET A 11 9.494 24.346 -10.637 1.00 15.40 O ATOM 168 CB MET A 11 6.638 24.478 -10.486 1.00 22.54 C ATOM 169 CG MET A 11 5.165 24.883 -10.303 1.00 41.45 C ATOM 170 SD MET A 11 4.136 24.528 -11.747 1.00 51.42 S ATOM 171 CE MET A 11 4.978 25.420 -13.058 1.00 63.40 C ATOM 0 H MET A 11 8.248 26.638 -9.230 1.00 32.01 H new ATOM 0 HA MET A 11 7.115 24.042 -8.423 1.00 65.24 H new ATOM 0 HB2 MET A 11 7.061 25.071 -11.297 1.00 22.54 H new ATOM 0 HB3 MET A 11 6.673 23.435 -10.801 1.00 22.54 H new ATOM 0 HG2 MET A 11 4.757 24.360 -9.438 1.00 41.45 H new ATOM 0 HG3 MET A 11 5.114 25.949 -10.083 1.00 41.45 H new ATOM 0 HE1 MET A 11 4.339 25.460 -13.940 1.00 63.40 H new ATOM 0 HE2 MET A 11 5.199 26.434 -12.724 1.00 63.40 H new ATOM 0 HE3 MET A 11 5.908 24.909 -13.307 1.00 63.40 H new ATOM 181 N ASP A 12 9.638 23.529 -8.527 1.00 51.41 N ATOM 182 CA ASP A 12 10.943 22.833 -8.708 1.00 21.42 C ATOM 183 C ASP A 12 10.735 21.420 -9.279 1.00 2.15 C ATOM 184 O ASP A 12 9.612 20.967 -9.416 1.00 65.32 O ATOM 185 CB ASP A 12 11.707 22.741 -7.366 1.00 63.01 C ATOM 186 CG ASP A 12 12.272 24.094 -6.930 1.00 75.14 C ATOM 187 OD1 ASP A 12 11.579 24.849 -6.217 1.00 70.22 O ATOM 188 OD2 ASP A 12 13.416 24.411 -7.309 1.00 40.40 O ATOM 0 H ASP A 12 9.286 23.496 -7.570 1.00 51.41 H new ATOM 0 HA ASP A 12 11.534 23.417 -9.414 1.00 21.42 H new ATOM 0 HB2 ASP A 12 11.037 22.363 -6.594 1.00 63.01 H new ATOM 0 HB3 ASP A 12 12.521 22.023 -7.462 1.00 63.01 H new ATOM 193 N THR A 13 11.831 20.734 -9.617 1.00 24.31 N ATOM 194 CA THR A 13 11.780 19.327 -10.063 1.00 23.22 C ATOM 195 C THR A 13 11.437 18.380 -8.871 1.00 52.44 C ATOM 196 O THR A 13 11.890 18.629 -7.739 1.00 4.03 O ATOM 197 CB THR A 13 13.129 18.902 -10.748 1.00 43.22 C ATOM 198 OG1 THR A 13 13.013 17.598 -11.333 1.00 14.13 O ATOM 199 CG2 THR A 13 14.309 18.906 -9.769 1.00 30.53 C ATOM 0 H THR A 13 12.772 21.128 -9.592 1.00 24.31 H new ATOM 0 HA THR A 13 10.987 19.238 -10.805 1.00 23.22 H new ATOM 0 HB THR A 13 13.326 19.642 -11.523 1.00 43.22 H new ATOM 0 HG1 THR A 13 13.862 17.352 -11.756 1.00 14.13 H new ATOM 0 HG21 THR A 13 15.217 18.605 -10.292 1.00 30.53 H new ATOM 0 HG22 THR A 13 14.440 19.908 -9.361 1.00 30.53 H new ATOM 0 HG23 THR A 13 14.110 18.207 -8.956 1.00 30.53 H new ATOM 207 N PRO A 14 10.588 17.309 -9.096 1.00 10.31 N ATOM 208 CA PRO A 14 10.261 16.280 -8.058 1.00 41.34 C ATOM 209 C PRO A 14 11.492 15.772 -7.256 1.00 34.23 C ATOM 210 O PRO A 14 11.420 15.564 -6.028 1.00 14.00 O ATOM 211 CB PRO A 14 9.651 15.134 -8.897 1.00 40.22 C ATOM 212 CG PRO A 14 8.997 15.818 -10.060 1.00 4.31 C ATOM 213 CD PRO A 14 9.833 17.054 -10.361 1.00 51.14 C ATOM 0 HA PRO A 14 9.604 16.687 -7.289 1.00 41.34 H new ATOM 0 HB2 PRO A 14 10.419 14.435 -9.230 1.00 40.22 H new ATOM 0 HB3 PRO A 14 8.928 14.561 -8.317 1.00 40.22 H new ATOM 0 HG2 PRO A 14 8.956 15.157 -10.926 1.00 4.31 H new ATOM 0 HG3 PRO A 14 7.970 16.093 -9.821 1.00 4.31 H new ATOM 0 HD2 PRO A 14 10.508 16.882 -11.199 1.00 51.14 H new ATOM 0 HD3 PRO A 14 9.204 17.904 -10.627 1.00 51.14 H new ATOM 221 N GLU A 15 12.625 15.592 -7.975 1.00 21.10 N ATOM 222 CA GLU A 15 13.912 15.163 -7.386 1.00 32.22 C ATOM 223 C GLU A 15 14.363 16.040 -6.201 1.00 54.53 C ATOM 224 O GLU A 15 14.670 15.503 -5.150 1.00 73.35 O ATOM 225 CB GLU A 15 15.015 15.073 -8.482 1.00 14.13 C ATOM 226 CG GLU A 15 14.856 13.845 -9.402 1.00 41.51 C ATOM 227 CD GLU A 15 15.814 13.837 -10.603 1.00 75.24 C ATOM 228 OE1 GLU A 15 16.986 13.442 -10.438 1.00 44.21 O ATOM 229 OE2 GLU A 15 15.396 14.225 -11.717 1.00 74.41 O ATOM 0 H GLU A 15 12.670 15.741 -8.983 1.00 21.10 H new ATOM 0 HA GLU A 15 13.750 14.168 -6.972 1.00 32.22 H new ATOM 0 HB2 GLU A 15 14.991 15.979 -9.088 1.00 14.13 H new ATOM 0 HB3 GLU A 15 15.993 15.036 -8.002 1.00 14.13 H new ATOM 0 HG2 GLU A 15 15.017 12.941 -8.815 1.00 41.51 H new ATOM 0 HG3 GLU A 15 13.830 13.808 -9.768 1.00 41.51 H new ATOM 236 N ASN A 16 14.377 17.380 -6.356 1.00 21.20 N ATOM 237 CA ASN A 16 14.774 18.304 -5.250 1.00 41.32 C ATOM 238 C ASN A 16 13.747 18.290 -4.091 1.00 22.22 C ATOM 239 O ASN A 16 14.134 18.374 -2.912 1.00 60.12 O ATOM 240 CB ASN A 16 14.978 19.744 -5.776 1.00 13.24 C ATOM 241 CG ASN A 16 16.099 19.847 -6.807 1.00 2.25 C ATOM 242 OD1 ASN A 16 17.033 19.052 -6.824 1.00 63.31 O ATOM 243 ND2 ASN A 16 16.026 20.834 -7.664 1.00 21.11 N ATOM 0 H ASN A 16 14.122 17.852 -7.224 1.00 21.20 H new ATOM 0 HA ASN A 16 15.723 17.942 -4.855 1.00 41.32 H new ATOM 0 HB2 ASN A 16 14.048 20.098 -6.221 1.00 13.24 H new ATOM 0 HB3 ASN A 16 15.201 20.404 -4.937 1.00 13.24 H new ATOM 0 HD21 ASN A 16 16.756 20.955 -8.366 1.00 21.11 H new ATOM 0 HD22 ASN A 16 15.239 21.482 -7.630 1.00 21.11 H new ATOM 250 N VAL A 17 12.446 18.147 -4.446 1.00 53.11 N ATOM 251 CA VAL A 17 11.337 17.998 -3.467 1.00 61.54 C ATOM 252 C VAL A 17 11.603 16.820 -2.493 1.00 11.50 C ATOM 253 O VAL A 17 11.295 16.901 -1.295 1.00 65.12 O ATOM 254 CB VAL A 17 9.950 17.817 -4.199 1.00 74.11 C ATOM 255 CG1 VAL A 17 8.789 17.587 -3.199 1.00 53.12 C ATOM 256 CG2 VAL A 17 9.657 19.029 -5.122 1.00 64.33 C ATOM 0 H VAL A 17 12.135 18.132 -5.417 1.00 53.11 H new ATOM 0 HA VAL A 17 11.291 18.916 -2.881 1.00 61.54 H new ATOM 0 HB VAL A 17 10.021 16.921 -4.815 1.00 74.11 H new ATOM 0 HG11 VAL A 17 7.855 17.468 -3.747 1.00 53.12 H new ATOM 0 HG12 VAL A 17 8.984 16.687 -2.615 1.00 53.12 H new ATOM 0 HG13 VAL A 17 8.710 18.444 -2.530 1.00 53.12 H new ATOM 0 HG21 VAL A 17 8.697 18.885 -5.617 1.00 64.33 H new ATOM 0 HG22 VAL A 17 9.625 19.941 -4.526 1.00 64.33 H new ATOM 0 HG23 VAL A 17 10.443 19.114 -5.872 1.00 64.33 H new ATOM 266 N LEU A 18 12.197 15.739 -3.020 1.00 64.12 N ATOM 267 CA LEU A 18 12.635 14.593 -2.197 1.00 10.21 C ATOM 268 C LEU A 18 14.026 14.814 -1.527 1.00 13.01 C ATOM 269 O LEU A 18 14.157 14.673 -0.315 1.00 52.52 O ATOM 270 CB LEU A 18 12.646 13.322 -3.066 1.00 10.13 C ATOM 271 CG LEU A 18 13.044 12.003 -2.343 1.00 63.44 C ATOM 272 CD1 LEU A 18 12.172 11.747 -1.102 1.00 50.14 C ATOM 273 CD2 LEU A 18 12.983 10.822 -3.312 1.00 44.35 C ATOM 0 H LEU A 18 12.387 15.631 -4.016 1.00 64.12 H new ATOM 0 HA LEU A 18 11.923 14.484 -1.379 1.00 10.21 H new ATOM 0 HB2 LEU A 18 11.653 13.192 -3.496 1.00 10.13 H new ATOM 0 HB3 LEU A 18 13.335 13.480 -3.896 1.00 10.13 H new ATOM 0 HG LEU A 18 14.071 12.112 -1.996 1.00 63.44 H new ATOM 0 HD11 LEU A 18 12.481 10.817 -0.625 1.00 50.14 H new ATOM 0 HD12 LEU A 18 12.289 12.571 -0.399 1.00 50.14 H new ATOM 0 HD13 LEU A 18 11.127 11.671 -1.401 1.00 50.14 H new ATOM 0 HD21 LEU A 18 13.264 9.908 -2.789 1.00 44.35 H new ATOM 0 HD22 LEU A 18 11.969 10.721 -3.699 1.00 44.35 H new ATOM 0 HD23 LEU A 18 13.672 10.994 -4.139 1.00 44.35 H new ATOM 285 N GLN A 19 15.052 15.175 -2.320 1.00 13.32 N ATOM 286 CA GLN A 19 16.464 15.276 -1.842 1.00 11.05 C ATOM 287 C GLN A 19 16.644 16.291 -0.684 1.00 61.41 C ATOM 288 O GLN A 19 17.629 16.213 0.061 1.00 2.04 O ATOM 289 CB GLN A 19 17.416 15.662 -3.012 1.00 15.31 C ATOM 290 CG GLN A 19 17.480 14.649 -4.170 1.00 73.42 C ATOM 291 CD GLN A 19 18.380 15.117 -5.318 1.00 61.31 C ATOM 292 OE1 GLN A 19 19.564 14.802 -5.371 1.00 60.44 O ATOM 293 NE2 GLN A 19 17.838 15.915 -6.213 1.00 54.53 N ATOM 0 H GLN A 19 14.938 15.406 -3.307 1.00 13.32 H new ATOM 0 HA GLN A 19 16.721 14.289 -1.458 1.00 11.05 H new ATOM 0 HB2 GLN A 19 17.101 16.626 -3.412 1.00 15.31 H new ATOM 0 HB3 GLN A 19 18.421 15.795 -2.612 1.00 15.31 H new ATOM 0 HG2 GLN A 19 17.847 13.695 -3.792 1.00 73.42 H new ATOM 0 HG3 GLN A 19 16.474 14.475 -4.551 1.00 73.42 H new ATOM 0 HE21 GLN A 19 16.850 16.161 -6.145 1.00 54.53 H new ATOM 0 HE22 GLN A 19 18.405 16.287 -6.974 1.00 54.53 H new ATOM 302 N MET A 20 15.704 17.258 -0.553 1.00 11.52 N ATOM 303 CA MET A 20 15.740 18.250 0.540 1.00 44.52 C ATOM 304 C MET A 20 15.496 17.588 1.925 1.00 71.41 C ATOM 305 O MET A 20 16.188 17.905 2.899 1.00 72.21 O ATOM 306 CB MET A 20 14.730 19.399 0.295 1.00 33.25 C ATOM 307 CG MET A 20 13.257 19.000 0.363 1.00 22.52 C ATOM 308 SD MET A 20 12.135 20.414 0.299 1.00 22.15 S ATOM 309 CE MET A 20 12.330 20.936 -1.390 1.00 34.32 C ATOM 0 H MET A 20 14.915 17.369 -1.190 1.00 11.52 H new ATOM 0 HA MET A 20 16.742 18.678 0.549 1.00 44.52 H new ATOM 0 HB2 MET A 20 14.911 20.183 1.031 1.00 33.25 H new ATOM 0 HB3 MET A 20 14.927 19.831 -0.686 1.00 33.25 H new ATOM 0 HG2 MET A 20 13.031 18.327 -0.464 1.00 22.52 H new ATOM 0 HG3 MET A 20 13.080 18.445 1.284 1.00 22.52 H new ATOM 0 HE1 MET A 20 12.749 21.942 -1.414 1.00 34.32 H new ATOM 0 HE2 MET A 20 13.002 20.251 -1.907 1.00 34.32 H new ATOM 0 HE3 MET A 20 11.359 20.935 -1.885 1.00 34.32 H new ATOM 319 N LEU A 21 14.521 16.643 2.007 1.00 63.15 N ATOM 320 CA LEU A 21 14.263 15.901 3.257 1.00 52.44 C ATOM 321 C LEU A 21 15.382 14.869 3.490 1.00 23.31 C ATOM 322 O LEU A 21 15.761 14.604 4.634 1.00 51.22 O ATOM 323 CB LEU A 21 12.833 15.255 3.268 1.00 43.12 C ATOM 324 CG LEU A 21 12.475 14.125 2.220 1.00 0.23 C ATOM 325 CD1 LEU A 21 13.001 12.738 2.632 1.00 25.02 C ATOM 326 CD2 LEU A 21 10.959 14.059 1.934 1.00 52.30 C ATOM 0 H LEU A 21 13.912 16.384 1.231 1.00 63.15 H new ATOM 0 HA LEU A 21 14.275 16.603 4.091 1.00 52.44 H new ATOM 0 HB2 LEU A 21 12.671 14.840 4.263 1.00 43.12 H new ATOM 0 HB3 LEU A 21 12.111 16.061 3.137 1.00 43.12 H new ATOM 0 HG LEU A 21 12.986 14.408 1.300 1.00 0.23 H new ATOM 0 HD11 LEU A 21 12.725 12.004 1.875 1.00 25.02 H new ATOM 0 HD12 LEU A 21 14.087 12.773 2.724 1.00 25.02 H new ATOM 0 HD13 LEU A 21 12.565 12.453 3.589 1.00 25.02 H new ATOM 0 HD21 LEU A 21 10.759 13.270 1.209 1.00 52.30 H new ATOM 0 HD22 LEU A 21 10.423 13.846 2.859 1.00 52.30 H new ATOM 0 HD23 LEU A 21 10.623 15.014 1.531 1.00 52.30 H new ATOM 338 N GLU A 22 15.913 14.319 2.374 1.00 20.31 N ATOM 339 CA GLU A 22 16.957 13.284 2.392 1.00 34.02 C ATOM 340 C GLU A 22 18.302 13.804 2.909 1.00 60.32 C ATOM 341 O GLU A 22 18.994 13.075 3.602 1.00 52.54 O ATOM 342 CB GLU A 22 17.139 12.639 0.996 1.00 22.42 C ATOM 343 CG GLU A 22 15.904 11.871 0.488 1.00 42.34 C ATOM 344 CD GLU A 22 16.210 11.000 -0.737 1.00 14.44 C ATOM 345 OE1 GLU A 22 16.461 11.558 -1.821 1.00 71.24 O ATOM 346 OE2 GLU A 22 16.233 9.755 -0.615 1.00 74.23 O ATOM 0 H GLU A 22 15.623 14.586 1.433 1.00 20.31 H new ATOM 0 HA GLU A 22 16.611 12.523 3.091 1.00 34.02 H new ATOM 0 HB2 GLU A 22 17.388 13.420 0.277 1.00 22.42 H new ATOM 0 HB3 GLU A 22 17.988 11.956 1.032 1.00 22.42 H new ATOM 0 HG2 GLU A 22 15.518 11.241 1.289 1.00 42.34 H new ATOM 0 HG3 GLU A 22 15.118 12.582 0.235 1.00 42.34 H new ATOM 353 N ALA A 23 18.658 15.061 2.580 1.00 34.33 N ATOM 354 CA ALA A 23 19.921 15.691 3.044 1.00 3.00 C ATOM 355 C ALA A 23 20.009 15.738 4.590 1.00 35.04 C ATOM 356 O ALA A 23 21.081 15.549 5.173 1.00 24.14 O ATOM 357 CB ALA A 23 20.059 17.099 2.454 1.00 52.55 C ATOM 0 H ALA A 23 18.088 15.668 1.991 1.00 34.33 H new ATOM 0 HA ALA A 23 20.747 15.074 2.691 1.00 3.00 H new ATOM 0 HB1 ALA A 23 20.989 17.550 2.802 1.00 52.55 H new ATOM 0 HB2 ALA A 23 20.070 17.038 1.366 1.00 52.55 H new ATOM 0 HB3 ALA A 23 19.217 17.712 2.774 1.00 52.55 H new ATOM 363 N HIS A 24 18.856 15.975 5.235 1.00 1.22 N ATOM 364 CA HIS A 24 18.726 15.914 6.704 1.00 45.03 C ATOM 365 C HIS A 24 18.526 14.462 7.194 1.00 45.13 C ATOM 366 O HIS A 24 19.011 14.102 8.263 1.00 15.31 O ATOM 367 CB HIS A 24 17.553 16.801 7.169 1.00 1.11 C ATOM 368 CG HIS A 24 17.748 18.257 6.837 1.00 53.04 C ATOM 369 ND1 HIS A 24 18.590 19.086 7.548 1.00 23.35 N ATOM 370 CD2 HIS A 24 17.232 19.020 5.846 1.00 15.04 C ATOM 371 CE1 HIS A 24 18.589 20.285 7.004 1.00 73.30 C ATOM 372 NE2 HIS A 24 17.770 20.272 5.972 1.00 13.22 N ATOM 0 H HIS A 24 17.988 16.214 4.756 1.00 1.22 H new ATOM 0 HA HIS A 24 19.653 16.287 7.139 1.00 45.03 H new ATOM 0 HB2 HIS A 24 16.632 16.448 6.705 1.00 1.11 H new ATOM 0 HB3 HIS A 24 17.428 16.693 8.246 1.00 1.11 H new ATOM 0 HD2 HIS A 24 16.526 18.700 5.094 1.00 15.04 H new ATOM 0 HE1 HIS A 24 19.162 21.134 7.346 1.00 73.30 H new ATOM 0 HE2 HIS A 24 17.569 21.067 5.365 1.00 13.22 H new ATOM 381 N MET A 25 17.833 13.636 6.379 1.00 43.40 N ATOM 382 CA MET A 25 17.500 12.231 6.712 1.00 31.13 C ATOM 383 C MET A 25 18.776 11.358 6.850 1.00 51.31 C ATOM 384 O MET A 25 18.771 10.363 7.581 1.00 64.20 O ATOM 385 CB MET A 25 16.548 11.637 5.632 1.00 40.11 C ATOM 386 CG MET A 25 15.791 10.341 6.027 1.00 3.34 C ATOM 387 SD MET A 25 14.021 10.595 6.355 1.00 30.23 S ATOM 388 CE MET A 25 14.002 11.866 7.624 1.00 32.32 C ATOM 0 H MET A 25 17.486 13.927 5.465 1.00 43.40 H new ATOM 0 HA MET A 25 16.993 12.226 7.677 1.00 31.13 H new ATOM 0 HB2 MET A 25 15.813 12.397 5.368 1.00 40.11 H new ATOM 0 HB3 MET A 25 17.132 11.433 4.735 1.00 40.11 H new ATOM 0 HG2 MET A 25 15.901 9.609 5.227 1.00 3.34 H new ATOM 0 HG3 MET A 25 16.258 9.915 6.915 1.00 3.34 H new ATOM 0 HE1 MET A 25 12.974 12.056 7.933 1.00 32.32 H new ATOM 0 HE2 MET A 25 14.583 11.531 8.483 1.00 32.32 H new ATOM 0 HE3 MET A 25 14.437 12.783 7.227 1.00 32.32 H new ATOM 398 N GLN A 26 19.856 11.750 6.123 1.00 11.34 N ATOM 399 CA GLN A 26 21.220 11.164 6.271 1.00 43.54 C ATOM 400 C GLN A 26 21.683 11.116 7.753 1.00 23.41 C ATOM 401 O GLN A 26 22.345 10.166 8.179 1.00 2.11 O ATOM 402 CB GLN A 26 22.273 11.974 5.452 1.00 13.11 C ATOM 403 CG GLN A 26 21.942 12.226 3.962 1.00 20.12 C ATOM 404 CD GLN A 26 21.721 10.966 3.114 1.00 11.43 C ATOM 405 OE1 GLN A 26 22.318 9.926 3.342 1.00 41.52 O ATOM 406 NE2 GLN A 26 20.864 11.055 2.114 1.00 63.43 N ATOM 0 H GLN A 26 19.807 12.483 5.415 1.00 11.34 H new ATOM 0 HA GLN A 26 21.152 10.145 5.889 1.00 43.54 H new ATOM 0 HB2 GLN A 26 22.415 12.939 5.938 1.00 13.11 H new ATOM 0 HB3 GLN A 26 23.226 11.447 5.506 1.00 13.11 H new ATOM 0 HG2 GLN A 26 21.045 12.843 3.906 1.00 20.12 H new ATOM 0 HG3 GLN A 26 22.754 12.803 3.520 1.00 20.12 H new ATOM 0 HE21 GLN A 26 20.374 11.932 1.939 1.00 63.43 H new ATOM 0 HE22 GLN A 26 20.691 10.246 1.517 1.00 63.43 H new ATOM 415 N SER A 27 21.318 12.158 8.524 1.00 1.54 N ATOM 416 CA SER A 27 21.732 12.320 9.941 1.00 50.21 C ATOM 417 C SER A 27 20.521 12.457 10.905 1.00 41.52 C ATOM 418 O SER A 27 20.713 12.721 12.098 1.00 21.52 O ATOM 419 CB SER A 27 22.653 13.561 10.062 1.00 65.13 C ATOM 420 OG SER A 27 23.799 13.444 9.229 1.00 12.35 O ATOM 0 H SER A 27 20.726 12.916 8.186 1.00 1.54 H new ATOM 0 HA SER A 27 22.269 11.418 10.237 1.00 50.21 H new ATOM 0 HB2 SER A 27 22.095 14.457 9.791 1.00 65.13 H new ATOM 0 HB3 SER A 27 22.967 13.683 11.099 1.00 65.13 H new ATOM 0 HG SER A 27 24.358 14.243 9.327 1.00 12.35 H new ATOM 426 N TYR A 28 19.283 12.249 10.401 1.00 43.43 N ATOM 427 CA TYR A 28 18.054 12.405 11.220 1.00 2.43 C ATOM 428 C TYR A 28 17.736 11.118 12.017 1.00 34.44 C ATOM 429 O TYR A 28 17.609 10.029 11.440 1.00 70.23 O ATOM 430 CB TYR A 28 16.839 12.787 10.331 1.00 4.10 C ATOM 431 CG TYR A 28 15.568 13.163 11.122 1.00 45.24 C ATOM 432 CD1 TYR A 28 15.378 14.465 11.591 1.00 12.54 C ATOM 433 CD2 TYR A 28 14.575 12.218 11.416 1.00 15.21 C ATOM 434 CE1 TYR A 28 14.255 14.807 12.316 1.00 74.14 C ATOM 435 CE2 TYR A 28 13.453 12.559 12.140 1.00 25.54 C ATOM 436 CZ TYR A 28 13.299 13.854 12.587 1.00 31.41 C ATOM 437 OH TYR A 28 12.182 14.198 13.311 1.00 53.40 O ATOM 0 H TYR A 28 19.107 11.974 9.435 1.00 43.43 H new ATOM 0 HA TYR A 28 18.241 13.211 11.930 1.00 2.43 H new ATOM 0 HB2 TYR A 28 17.119 13.627 9.695 1.00 4.10 H new ATOM 0 HB3 TYR A 28 16.608 11.950 9.672 1.00 4.10 H new ATOM 0 HD1 TYR A 28 16.124 15.218 11.382 1.00 12.54 H new ATOM 0 HD2 TYR A 28 14.692 11.202 11.068 1.00 15.21 H new ATOM 0 HE1 TYR A 28 14.126 15.819 12.670 1.00 74.14 H new ATOM 0 HE2 TYR A 28 12.699 11.816 12.356 1.00 25.54 H new ATOM 0 HH TYR A 28 11.605 13.413 13.415 1.00 53.40 H new ATOM 447 N LYS A 29 17.588 11.263 13.341 1.00 43.01 N ATOM 448 CA LYS A 29 17.128 10.187 14.242 1.00 31.03 C ATOM 449 C LYS A 29 15.748 10.560 14.843 1.00 52.25 C ATOM 450 O LYS A 29 15.587 11.643 15.415 1.00 32.31 O ATOM 451 CB LYS A 29 18.181 9.949 15.360 1.00 52.43 C ATOM 452 CG LYS A 29 17.817 8.845 16.387 1.00 2.00 C ATOM 453 CD LYS A 29 17.586 7.450 15.746 1.00 74.43 C ATOM 454 CE LYS A 29 18.829 6.891 15.032 1.00 34.21 C ATOM 455 NZ LYS A 29 18.589 5.539 14.465 1.00 43.53 N ATOM 0 H LYS A 29 17.785 12.138 13.826 1.00 43.01 H new ATOM 0 HA LYS A 29 17.016 9.261 13.678 1.00 31.03 H new ATOM 0 HB2 LYS A 29 19.131 9.689 14.893 1.00 52.43 H new ATOM 0 HB3 LYS A 29 18.335 10.885 15.897 1.00 52.43 H new ATOM 0 HG2 LYS A 29 18.616 8.769 17.124 1.00 2.00 H new ATOM 0 HG3 LYS A 29 16.916 9.143 16.923 1.00 2.00 H new ATOM 0 HD2 LYS A 29 17.276 6.749 16.521 1.00 74.43 H new ATOM 0 HD3 LYS A 29 16.766 7.518 15.031 1.00 74.43 H new ATOM 0 HE2 LYS A 29 19.124 7.571 14.233 1.00 34.21 H new ATOM 0 HE3 LYS A 29 19.661 6.846 15.735 1.00 34.21 H new ATOM 0 HZ1 LYS A 29 19.453 5.202 13.994 1.00 43.53 H new ATOM 0 HZ2 LYS A 29 18.333 4.882 15.230 1.00 43.53 H new ATOM 0 HZ3 LYS A 29 17.813 5.585 13.774 1.00 43.53 H new ATOM 469 N GLY A 30 14.759 9.661 14.693 1.00 11.34 N ATOM 470 CA GLY A 30 13.401 9.894 15.211 1.00 73.45 C ATOM 471 C GLY A 30 12.621 8.606 15.469 1.00 25.21 C ATOM 472 O GLY A 30 12.794 7.610 14.751 1.00 41.12 O ATOM 0 H GLY A 30 14.876 8.766 14.217 1.00 11.34 H new ATOM 0 HA2 GLY A 30 13.467 10.462 16.139 1.00 73.45 H new ATOM 0 HA3 GLY A 30 12.849 10.508 14.499 1.00 73.45 H new ATOM 476 N ASN A 31 11.759 8.625 16.510 1.00 23.12 N ATOM 477 CA ASN A 31 10.832 7.507 16.830 1.00 1.14 C ATOM 478 C ASN A 31 9.733 7.373 15.740 1.00 63.04 C ATOM 479 O ASN A 31 9.160 6.300 15.543 1.00 5.54 O ATOM 480 CB ASN A 31 10.169 7.723 18.217 1.00 41.21 C ATOM 481 CG ASN A 31 11.163 7.844 19.378 1.00 71.20 C ATOM 482 OD1 ASN A 31 12.247 7.274 19.355 1.00 53.35 O ATOM 483 ND2 ASN A 31 10.799 8.581 20.406 1.00 42.44 N ATOM 0 H ASN A 31 11.683 9.413 17.153 1.00 23.12 H new ATOM 0 HA ASN A 31 11.416 6.587 16.857 1.00 1.14 H new ATOM 0 HB2 ASN A 31 9.560 8.626 18.179 1.00 41.21 H new ATOM 0 HB3 ASN A 31 9.493 6.892 18.417 1.00 41.21 H new ATOM 0 HD21 ASN A 31 11.424 8.686 21.205 1.00 42.44 H new ATOM 0 HD22 ASN A 31 9.892 9.047 20.404 1.00 42.44 H new ATOM 490 N ASP A 32 9.456 8.495 15.048 1.00 62.21 N ATOM 491 CA ASP A 32 8.529 8.550 13.901 1.00 32.01 C ATOM 492 C ASP A 32 9.139 9.391 12.742 1.00 60.25 C ATOM 493 O ASP A 32 8.896 10.604 12.641 1.00 33.04 O ATOM 494 CB ASP A 32 7.146 9.098 14.351 1.00 33.10 C ATOM 495 CG ASP A 32 6.156 9.320 13.192 1.00 63.51 C ATOM 496 OD1 ASP A 32 5.930 8.379 12.404 1.00 10.14 O ATOM 497 OD2 ASP A 32 5.628 10.441 13.047 1.00 71.34 O ATOM 0 H ASP A 32 9.874 9.398 15.272 1.00 62.21 H new ATOM 0 HA ASP A 32 8.375 7.540 13.521 1.00 32.01 H new ATOM 0 HB2 ASP A 32 6.705 8.402 15.064 1.00 33.10 H new ATOM 0 HB3 ASP A 32 7.293 10.042 14.876 1.00 33.10 H new ATOM 502 N PRO A 33 9.997 8.768 11.876 1.00 31.21 N ATOM 503 CA PRO A 33 10.431 9.401 10.615 1.00 41.24 C ATOM 504 C PRO A 33 9.319 9.405 9.531 1.00 3.52 C ATOM 505 O PRO A 33 9.422 10.153 8.555 1.00 4.14 O ATOM 506 CB PRO A 33 11.655 8.555 10.191 1.00 13.40 C ATOM 507 CG PRO A 33 11.452 7.205 10.827 1.00 43.24 C ATOM 508 CD PRO A 33 10.651 7.442 12.091 1.00 41.41 C ATOM 0 HA PRO A 33 10.669 10.457 10.743 1.00 41.24 H new ATOM 0 HB2 PRO A 33 11.718 8.472 9.106 1.00 13.40 H new ATOM 0 HB3 PRO A 33 12.584 9.013 10.530 1.00 13.40 H new ATOM 0 HG2 PRO A 33 10.922 6.534 10.152 1.00 43.24 H new ATOM 0 HG3 PRO A 33 12.409 6.736 11.056 1.00 43.24 H new ATOM 0 HD2 PRO A 33 9.912 6.656 12.246 1.00 41.41 H new ATOM 0 HD3 PRO A 33 11.293 7.454 12.972 1.00 41.41 H new ATOM 516 N LEU A 34 8.264 8.564 9.712 1.00 73.33 N ATOM 517 CA LEU A 34 7.129 8.479 8.760 1.00 53.44 C ATOM 518 C LEU A 34 6.405 9.827 8.669 1.00 52.41 C ATOM 519 O LEU A 34 6.197 10.335 7.573 1.00 13.14 O ATOM 520 CB LEU A 34 6.132 7.351 9.157 1.00 13.42 C ATOM 521 CG LEU A 34 4.960 7.060 8.150 1.00 23.50 C ATOM 522 CD1 LEU A 34 5.489 6.592 6.780 1.00 51.20 C ATOM 523 CD2 LEU A 34 3.946 6.039 8.723 1.00 34.12 C ATOM 0 H LEU A 34 8.179 7.936 10.511 1.00 73.33 H new ATOM 0 HA LEU A 34 7.536 8.231 7.780 1.00 53.44 H new ATOM 0 HB2 LEU A 34 6.698 6.430 9.296 1.00 13.42 H new ATOM 0 HB3 LEU A 34 5.696 7.606 10.123 1.00 13.42 H new ATOM 0 HG LEU A 34 4.434 8.003 8.003 1.00 23.50 H new ATOM 0 HD11 LEU A 34 4.649 6.401 6.112 1.00 51.20 H new ATOM 0 HD12 LEU A 34 6.125 7.367 6.352 1.00 51.20 H new ATOM 0 HD13 LEU A 34 6.067 5.677 6.907 1.00 51.20 H new ATOM 0 HD21 LEU A 34 3.153 5.867 7.996 1.00 34.12 H new ATOM 0 HD22 LEU A 34 4.456 5.099 8.934 1.00 34.12 H new ATOM 0 HD23 LEU A 34 3.515 6.432 9.644 1.00 34.12 H new ATOM 535 N GLY A 35 6.073 10.403 9.844 1.00 12.40 N ATOM 536 CA GLY A 35 5.429 11.719 9.936 1.00 43.13 C ATOM 537 C GLY A 35 6.198 12.843 9.243 1.00 1.22 C ATOM 538 O GLY A 35 5.586 13.759 8.692 1.00 31.31 O ATOM 0 H GLY A 35 6.246 9.966 10.749 1.00 12.40 H new ATOM 0 HA2 GLY A 35 4.432 11.654 9.501 1.00 43.13 H new ATOM 0 HA3 GLY A 35 5.302 11.976 10.988 1.00 43.13 H new ATOM 542 N GLU A 36 7.545 12.745 9.257 1.00 73.21 N ATOM 543 CA GLU A 36 8.449 13.719 8.601 1.00 54.34 C ATOM 544 C GLU A 36 8.267 13.695 7.066 1.00 34.42 C ATOM 545 O GLU A 36 8.237 14.744 6.408 1.00 14.42 O ATOM 546 CB GLU A 36 9.929 13.407 8.971 1.00 43.31 C ATOM 547 CG GLU A 36 10.195 13.260 10.484 1.00 64.42 C ATOM 548 CD GLU A 36 9.728 14.466 11.323 1.00 0.33 C ATOM 549 OE1 GLU A 36 10.349 15.546 11.226 1.00 51.51 O ATOM 550 OE2 GLU A 36 8.749 14.341 12.087 1.00 30.11 O ATOM 0 H GLU A 36 8.039 11.986 9.725 1.00 73.21 H new ATOM 0 HA GLU A 36 8.194 14.717 8.958 1.00 54.34 H new ATOM 0 HB2 GLU A 36 10.228 12.486 8.472 1.00 43.31 H new ATOM 0 HB3 GLU A 36 10.563 14.202 8.579 1.00 43.31 H new ATOM 0 HG2 GLU A 36 9.692 12.363 10.845 1.00 64.42 H new ATOM 0 HG3 GLU A 36 11.263 13.112 10.642 1.00 64.42 H new ATOM 557 N TRP A 37 8.173 12.474 6.512 1.00 43.15 N ATOM 558 CA TRP A 37 7.841 12.254 5.090 1.00 12.33 C ATOM 559 C TRP A 37 6.406 12.713 4.772 1.00 53.45 C ATOM 560 O TRP A 37 6.171 13.321 3.734 1.00 22.12 O ATOM 561 CB TRP A 37 7.987 10.757 4.730 1.00 31.42 C ATOM 562 CG TRP A 37 9.406 10.287 4.542 1.00 2.30 C ATOM 563 CD1 TRP A 37 10.362 10.092 5.498 1.00 54.11 C ATOM 564 CD2 TRP A 37 10.013 9.938 3.296 1.00 64.03 C ATOM 565 NE1 TRP A 37 11.515 9.633 4.918 1.00 14.40 N ATOM 566 CE2 TRP A 37 11.324 9.530 3.569 1.00 64.02 C ATOM 567 CE3 TRP A 37 9.563 9.927 1.973 1.00 15.33 C ATOM 568 CZ2 TRP A 37 12.195 9.118 2.573 1.00 32.24 C ATOM 569 CZ3 TRP A 37 10.429 9.516 0.986 1.00 52.34 C ATOM 570 CH2 TRP A 37 11.733 9.113 1.292 1.00 64.32 C ATOM 0 H TRP A 37 8.324 11.611 7.035 1.00 43.15 H new ATOM 0 HA TRP A 37 8.537 12.846 4.495 1.00 12.33 H new ATOM 0 HB2 TRP A 37 7.523 10.162 5.517 1.00 31.42 H new ATOM 0 HB3 TRP A 37 7.430 10.562 3.813 1.00 31.42 H new ATOM 0 HD1 TRP A 37 10.229 10.273 6.554 1.00 54.11 H new ATOM 0 HE1 TRP A 37 12.377 9.405 5.413 1.00 14.40 H new ATOM 0 HE3 TRP A 37 8.557 10.235 1.730 1.00 15.33 H new ATOM 0 HZ2 TRP A 37 13.204 8.812 2.805 1.00 32.24 H new ATOM 0 HZ3 TRP A 37 10.097 9.504 -0.042 1.00 52.34 H new ATOM 0 HH2 TRP A 37 12.387 8.791 0.495 1.00 64.32 H new ATOM 581 N GLU A 38 5.456 12.404 5.680 1.00 35.42 N ATOM 582 CA GLU A 38 4.016 12.715 5.511 1.00 72.43 C ATOM 583 C GLU A 38 3.770 14.232 5.358 1.00 25.20 C ATOM 584 O GLU A 38 2.809 14.630 4.701 1.00 14.22 O ATOM 585 CB GLU A 38 3.187 12.135 6.691 1.00 53.50 C ATOM 586 CG GLU A 38 3.166 10.594 6.753 1.00 15.44 C ATOM 587 CD GLU A 38 2.331 10.042 7.923 1.00 1.33 C ATOM 588 OE1 GLU A 38 1.112 9.846 7.757 1.00 62.20 O ATOM 589 OE2 GLU A 38 2.873 9.832 9.021 1.00 43.02 O ATOM 0 H GLU A 38 5.666 11.928 6.558 1.00 35.42 H new ATOM 0 HA GLU A 38 3.684 12.239 4.588 1.00 72.43 H new ATOM 0 HB2 GLU A 38 3.591 12.519 7.627 1.00 53.50 H new ATOM 0 HB3 GLU A 38 2.162 12.498 6.613 1.00 53.50 H new ATOM 0 HG2 GLU A 38 2.767 10.205 5.816 1.00 15.44 H new ATOM 0 HG3 GLU A 38 4.189 10.227 6.841 1.00 15.44 H new ATOM 596 N ARG A 39 4.671 15.062 5.948 1.00 34.24 N ATOM 597 CA ARG A 39 4.666 16.539 5.764 1.00 60.21 C ATOM 598 C ARG A 39 4.827 16.920 4.271 1.00 15.14 C ATOM 599 O ARG A 39 4.248 17.899 3.807 1.00 53.15 O ATOM 600 CB ARG A 39 5.813 17.207 6.574 1.00 14.23 C ATOM 601 CG ARG A 39 5.890 16.805 8.062 1.00 41.25 C ATOM 602 CD ARG A 39 4.607 17.090 8.865 1.00 34.42 C ATOM 603 NE ARG A 39 4.705 16.609 10.260 1.00 23.03 N ATOM 604 CZ ARG A 39 4.071 17.129 11.296 1.00 14.21 C ATOM 605 NH1 ARG A 39 3.284 18.155 11.162 1.00 52.34 N ATOM 606 NH2 ARG A 39 4.225 16.607 12.464 1.00 61.43 N ATOM 0 H ARG A 39 5.416 14.729 6.560 1.00 34.24 H new ATOM 0 HA ARG A 39 3.704 16.900 6.127 1.00 60.21 H new ATOM 0 HB2 ARG A 39 6.762 16.961 6.099 1.00 14.23 H new ATOM 0 HB3 ARG A 39 5.697 18.289 6.512 1.00 14.23 H new ATOM 0 HG2 ARG A 39 6.116 15.741 8.127 1.00 41.25 H new ATOM 0 HG3 ARG A 39 6.721 17.336 8.527 1.00 41.25 H new ATOM 0 HD2 ARG A 39 4.410 18.162 8.865 1.00 34.42 H new ATOM 0 HD3 ARG A 39 3.759 16.610 8.375 1.00 34.42 H new ATOM 0 HE ARG A 39 5.313 15.809 10.437 1.00 23.03 H new ATOM 0 HH11 ARG A 39 3.146 18.575 10.243 1.00 52.34 H new ATOM 0 HH12 ARG A 39 2.805 18.540 11.976 1.00 52.34 H new ATOM 0 HH21 ARG A 39 4.833 15.797 12.585 1.00 61.43 H new ATOM 0 HH22 ARG A 39 3.738 17.004 13.268 1.00 61.43 H new ATOM 620 N TYR A 40 5.637 16.122 3.546 1.00 31.24 N ATOM 621 CA TYR A 40 5.888 16.286 2.098 1.00 65.12 C ATOM 622 C TYR A 40 4.788 15.634 1.242 1.00 73.20 C ATOM 623 O TYR A 40 4.342 16.239 0.275 1.00 73.33 O ATOM 624 CB TYR A 40 7.267 15.696 1.736 1.00 43.21 C ATOM 625 CG TYR A 40 8.436 16.566 2.178 1.00 51.35 C ATOM 626 CD1 TYR A 40 8.848 16.616 3.516 1.00 32.23 C ATOM 627 CD2 TYR A 40 9.132 17.345 1.253 1.00 14.51 C ATOM 628 CE1 TYR A 40 9.904 17.411 3.902 1.00 31.32 C ATOM 629 CE2 TYR A 40 10.176 18.131 1.642 1.00 20.35 C ATOM 630 CZ TYR A 40 10.566 18.165 2.957 1.00 42.22 C ATOM 631 OH TYR A 40 11.633 18.958 3.325 1.00 2.14 O ATOM 0 H TYR A 40 6.142 15.335 3.954 1.00 31.24 H new ATOM 0 HA TYR A 40 5.877 17.354 1.879 1.00 65.12 H new ATOM 0 HB2 TYR A 40 7.364 14.712 2.194 1.00 43.21 H new ATOM 0 HB3 TYR A 40 7.320 15.552 0.657 1.00 43.21 H new ATOM 0 HD1 TYR A 40 8.330 16.023 4.255 1.00 32.23 H new ATOM 0 HD2 TYR A 40 8.839 17.325 0.214 1.00 14.51 H new ATOM 0 HE1 TYR A 40 10.211 17.443 4.937 1.00 31.32 H new ATOM 0 HE2 TYR A 40 10.699 18.730 0.911 1.00 20.35 H new ATOM 0 HH TYR A 40 11.831 19.594 2.606 1.00 2.14 H new ATOM 641 N ILE A 41 4.406 14.386 1.584 1.00 10.34 N ATOM 642 CA ILE A 41 3.248 13.676 0.973 1.00 14.21 C ATOM 643 C ILE A 41 1.972 14.577 0.901 1.00 75.42 C ATOM 644 O ILE A 41 1.242 14.548 -0.096 1.00 44.10 O ATOM 645 CB ILE A 41 2.935 12.295 1.723 1.00 3.43 C ATOM 646 CG1 ILE A 41 3.849 11.111 1.218 1.00 64.12 C ATOM 647 CG2 ILE A 41 1.448 11.882 1.611 1.00 71.41 C ATOM 648 CD1 ILE A 41 5.315 11.185 1.602 1.00 10.12 C ATOM 0 H ILE A 41 4.889 13.835 2.293 1.00 10.34 H new ATOM 0 HA ILE A 41 3.536 13.441 -0.052 1.00 14.21 H new ATOM 0 HB ILE A 41 3.163 12.484 2.772 1.00 3.43 H new ATOM 0 HG12 ILE A 41 3.441 10.176 1.602 1.00 64.12 H new ATOM 0 HG13 ILE A 41 3.782 11.066 0.131 1.00 64.12 H new ATOM 0 HG21 ILE A 41 1.291 10.940 2.136 1.00 71.41 H new ATOM 0 HG22 ILE A 41 0.821 12.654 2.057 1.00 71.41 H new ATOM 0 HG23 ILE A 41 1.182 11.760 0.561 1.00 71.41 H new ATOM 0 HD11 ILE A 41 5.841 10.319 1.200 1.00 10.12 H new ATOM 0 HD12 ILE A 41 5.752 12.097 1.195 1.00 10.12 H new ATOM 0 HD13 ILE A 41 5.407 11.193 2.688 1.00 10.12 H new ATOM 660 N GLN A 42 1.702 15.364 1.959 1.00 34.22 N ATOM 661 CA GLN A 42 0.591 16.343 1.935 1.00 64.42 C ATOM 662 C GLN A 42 0.992 17.664 1.228 1.00 73.42 C ATOM 663 O GLN A 42 0.149 18.278 0.564 1.00 44.42 O ATOM 664 CB GLN A 42 0.057 16.641 3.359 1.00 54.55 C ATOM 665 CG GLN A 42 1.090 17.228 4.341 1.00 14.24 C ATOM 666 CD GLN A 42 0.463 18.053 5.458 1.00 51.03 C ATOM 667 OE1 GLN A 42 0.092 17.536 6.504 1.00 20.54 O ATOM 668 NE2 GLN A 42 0.344 19.343 5.227 1.00 25.42 N ATOM 0 H GLN A 42 2.229 15.345 2.832 1.00 34.22 H new ATOM 0 HA GLN A 42 -0.210 15.881 1.357 1.00 64.42 H new ATOM 0 HB2 GLN A 42 -0.778 17.336 3.278 1.00 54.55 H new ATOM 0 HB3 GLN A 42 -0.337 15.717 3.782 1.00 54.55 H new ATOM 0 HG2 GLN A 42 1.666 16.414 4.780 1.00 14.24 H new ATOM 0 HG3 GLN A 42 1.792 17.853 3.788 1.00 14.24 H new ATOM 0 HE21 GLN A 42 0.666 19.734 4.342 1.00 25.42 H new ATOM 0 HE22 GLN A 42 -0.070 19.951 5.933 1.00 25.42 H new ATOM 677 N TRP A 43 2.276 18.088 1.375 1.00 14.33 N ATOM 678 CA TRP A 43 2.802 19.352 0.777 1.00 20.13 C ATOM 679 C TRP A 43 2.622 19.380 -0.763 1.00 22.24 C ATOM 680 O TRP A 43 2.288 20.414 -1.344 1.00 75.41 O ATOM 681 CB TRP A 43 4.301 19.536 1.134 1.00 33.54 C ATOM 682 CG TRP A 43 4.912 20.857 0.707 1.00 3.04 C ATOM 683 CD1 TRP A 43 4.707 22.081 1.283 1.00 31.21 C ATOM 684 CD2 TRP A 43 5.842 21.078 -0.375 1.00 1.22 C ATOM 685 NE1 TRP A 43 5.431 23.038 0.624 1.00 63.34 N ATOM 686 CE2 TRP A 43 6.140 22.451 -0.390 1.00 22.42 C ATOM 687 CE3 TRP A 43 6.452 20.248 -1.323 1.00 5.54 C ATOM 688 CZ2 TRP A 43 7.009 23.019 -1.320 1.00 4.24 C ATOM 689 CZ3 TRP A 43 7.318 20.813 -2.245 1.00 71.44 C ATOM 690 CH2 TRP A 43 7.592 22.186 -2.237 1.00 4.50 C ATOM 0 H TRP A 43 2.974 17.569 1.907 1.00 14.33 H new ATOM 0 HA TRP A 43 2.224 20.175 1.198 1.00 20.13 H new ATOM 0 HB2 TRP A 43 4.416 19.434 2.213 1.00 33.54 H new ATOM 0 HB3 TRP A 43 4.869 18.727 0.675 1.00 33.54 H new ATOM 0 HD1 TRP A 43 4.067 22.265 2.133 1.00 31.21 H new ATOM 0 HE1 TRP A 43 5.441 24.032 0.852 1.00 63.34 H new ATOM 0 HE3 TRP A 43 6.251 19.187 -1.335 1.00 5.54 H new ATOM 0 HZ2 TRP A 43 7.215 24.079 -1.317 1.00 4.24 H new ATOM 0 HZ3 TRP A 43 7.791 20.183 -2.984 1.00 71.44 H new ATOM 0 HH2 TRP A 43 8.275 22.595 -2.967 1.00 4.50 H new ATOM 701 N VAL A 44 2.876 18.236 -1.411 1.00 41.04 N ATOM 702 CA VAL A 44 2.579 18.049 -2.844 1.00 12.44 C ATOM 703 C VAL A 44 1.054 18.050 -3.111 1.00 32.44 C ATOM 704 O VAL A 44 0.608 18.700 -4.019 1.00 11.22 O ATOM 705 CB VAL A 44 3.238 16.746 -3.434 1.00 74.54 C ATOM 706 CG1 VAL A 44 3.002 15.537 -2.524 1.00 24.20 C ATOM 707 CG2 VAL A 44 2.734 16.446 -4.872 1.00 74.12 C ATOM 0 H VAL A 44 3.290 17.418 -0.964 1.00 41.04 H new ATOM 0 HA VAL A 44 3.023 18.900 -3.360 1.00 12.44 H new ATOM 0 HB VAL A 44 4.311 16.932 -3.485 1.00 74.54 H new ATOM 0 HG11 VAL A 44 3.470 14.655 -2.962 1.00 24.20 H new ATOM 0 HG12 VAL A 44 3.437 15.730 -1.543 1.00 24.20 H new ATOM 0 HG13 VAL A 44 1.931 15.364 -2.419 1.00 24.20 H new ATOM 0 HG21 VAL A 44 3.212 15.540 -5.243 1.00 74.12 H new ATOM 0 HG22 VAL A 44 1.653 16.306 -4.857 1.00 74.12 H new ATOM 0 HG23 VAL A 44 2.983 17.282 -5.526 1.00 74.12 H new ATOM 717 N GLU A 45 0.254 17.356 -2.295 1.00 34.14 N ATOM 718 CA GLU A 45 -1.211 17.252 -2.546 1.00 45.44 C ATOM 719 C GLU A 45 -1.950 18.612 -2.403 1.00 53.41 C ATOM 720 O GLU A 45 -3.043 18.788 -2.958 1.00 40.13 O ATOM 721 CB GLU A 45 -1.836 16.156 -1.650 1.00 23.54 C ATOM 722 CG GLU A 45 -1.389 14.719 -2.014 1.00 11.10 C ATOM 723 CD GLU A 45 -1.771 14.289 -3.453 1.00 5.22 C ATOM 724 OE1 GLU A 45 -1.046 14.647 -4.414 1.00 74.52 O ATOM 725 OE2 GLU A 45 -2.777 13.558 -3.627 1.00 44.00 O ATOM 0 H GLU A 45 0.577 16.860 -1.464 1.00 34.14 H new ATOM 0 HA GLU A 45 -1.340 16.959 -3.588 1.00 45.44 H new ATOM 0 HB2 GLU A 45 -1.573 16.356 -0.611 1.00 23.54 H new ATOM 0 HB3 GLU A 45 -2.922 16.217 -1.721 1.00 23.54 H new ATOM 0 HG2 GLU A 45 -0.308 14.645 -1.898 1.00 11.10 H new ATOM 0 HG3 GLU A 45 -1.834 14.020 -1.306 1.00 11.10 H new ATOM 732 N GLU A 46 -1.353 19.562 -1.652 1.00 54.22 N ATOM 733 CA GLU A 46 -1.904 20.936 -1.488 1.00 3.41 C ATOM 734 C GLU A 46 -1.279 21.964 -2.492 1.00 34.03 C ATOM 735 O GLU A 46 -2.009 22.753 -3.093 1.00 1.35 O ATOM 736 CB GLU A 46 -1.719 21.405 -0.019 1.00 25.45 C ATOM 737 CG GLU A 46 -0.254 21.468 0.440 1.00 33.33 C ATOM 738 CD GLU A 46 -0.070 21.847 1.911 1.00 35.21 C ATOM 739 OE1 GLU A 46 -0.178 20.958 2.771 1.00 55.42 O ATOM 740 OE2 GLU A 46 0.200 23.027 2.211 1.00 75.20 O ATOM 0 H GLU A 46 -0.482 19.406 -1.144 1.00 54.22 H new ATOM 0 HA GLU A 46 -2.968 20.893 -1.722 1.00 3.41 H new ATOM 0 HB2 GLU A 46 -2.167 22.392 0.095 1.00 25.45 H new ATOM 0 HB3 GLU A 46 -2.266 20.729 0.638 1.00 25.45 H new ATOM 0 HG2 GLU A 46 0.211 20.498 0.266 1.00 33.33 H new ATOM 0 HG3 GLU A 46 0.277 22.191 -0.179 1.00 33.33 H new ATOM 747 N ASN A 47 0.068 21.957 -2.667 1.00 3.02 N ATOM 748 CA ASN A 47 0.787 22.937 -3.550 1.00 53.43 C ATOM 749 C ASN A 47 0.906 22.443 -5.021 1.00 34.51 C ATOM 750 O ASN A 47 1.099 23.243 -5.938 1.00 73.22 O ATOM 751 CB ASN A 47 2.212 23.250 -2.997 1.00 20.12 C ATOM 752 CG ASN A 47 2.204 23.995 -1.658 1.00 4.41 C ATOM 753 OD1 ASN A 47 2.147 25.218 -1.617 1.00 2.34 O ATOM 754 ND2 ASN A 47 2.277 23.279 -0.562 1.00 61.13 N ATOM 0 H ASN A 47 0.686 21.286 -2.211 1.00 3.02 H new ATOM 0 HA ASN A 47 0.184 23.845 -3.546 1.00 53.43 H new ATOM 0 HB2 ASN A 47 2.760 22.315 -2.879 1.00 20.12 H new ATOM 0 HB3 ASN A 47 2.754 23.846 -3.731 1.00 20.12 H new ATOM 0 HD21 ASN A 47 2.287 23.739 0.348 1.00 61.13 H new ATOM 0 HD22 ASN A 47 2.324 22.262 -0.620 1.00 61.13 H new ATOM 761 N PHE A 48 0.808 21.125 -5.226 1.00 3.42 N ATOM 762 CA PHE A 48 0.982 20.453 -6.557 1.00 5.34 C ATOM 763 C PHE A 48 -0.064 19.292 -6.786 1.00 24.32 C ATOM 764 O PHE A 48 0.336 18.199 -7.207 1.00 2.35 O ATOM 765 CB PHE A 48 2.423 19.846 -6.634 1.00 13.04 C ATOM 766 CG PHE A 48 3.581 20.831 -6.491 1.00 31.32 C ATOM 767 CD1 PHE A 48 4.012 21.586 -7.580 1.00 31.10 C ATOM 768 CD2 PHE A 48 4.239 21.002 -5.267 1.00 71.35 C ATOM 769 CE1 PHE A 48 5.058 22.476 -7.450 1.00 14.31 C ATOM 770 CE2 PHE A 48 5.284 21.896 -5.146 1.00 55.42 C ATOM 771 CZ PHE A 48 5.693 22.633 -6.236 1.00 3.04 C ATOM 0 H PHE A 48 0.603 20.469 -4.473 1.00 3.42 H new ATOM 0 HA PHE A 48 0.823 21.206 -7.329 1.00 5.34 H new ATOM 0 HB2 PHE A 48 2.518 19.091 -5.854 1.00 13.04 H new ATOM 0 HB3 PHE A 48 2.527 19.332 -7.590 1.00 13.04 H new ATOM 0 HD1 PHE A 48 3.522 21.473 -8.536 1.00 31.10 H new ATOM 0 HD2 PHE A 48 3.925 20.428 -4.408 1.00 71.35 H new ATOM 0 HE1 PHE A 48 5.381 23.053 -8.304 1.00 14.31 H new ATOM 0 HE2 PHE A 48 5.782 22.018 -4.195 1.00 55.42 H new ATOM 0 HZ PHE A 48 6.510 23.333 -6.140 1.00 3.04 H new ATOM 781 N PRO A 49 -1.413 19.482 -6.537 1.00 74.45 N ATOM 782 CA PRO A 49 -2.401 18.354 -6.613 1.00 73.04 C ATOM 783 C PRO A 49 -2.505 17.740 -8.033 1.00 34.33 C ATOM 784 O PRO A 49 -2.714 16.529 -8.198 1.00 11.22 O ATOM 785 CB PRO A 49 -3.734 19.020 -6.181 1.00 12.24 C ATOM 786 CG PRO A 49 -3.549 20.482 -6.478 1.00 32.25 C ATOM 787 CD PRO A 49 -2.090 20.767 -6.203 1.00 1.13 C ATOM 0 HA PRO A 49 -2.113 17.512 -5.983 1.00 73.04 H new ATOM 0 HB2 PRO A 49 -4.579 18.608 -6.733 1.00 12.24 H new ATOM 0 HB3 PRO A 49 -3.934 18.854 -5.122 1.00 12.24 H new ATOM 0 HG2 PRO A 49 -3.805 20.708 -7.513 1.00 32.25 H new ATOM 0 HG3 PRO A 49 -4.194 21.095 -5.849 1.00 32.25 H new ATOM 0 HD2 PRO A 49 -1.719 21.587 -6.818 1.00 1.13 H new ATOM 0 HD3 PRO A 49 -1.926 21.048 -5.163 1.00 1.13 H new ATOM 795 N GLU A 50 -2.344 18.603 -9.044 1.00 54.12 N ATOM 796 CA GLU A 50 -2.325 18.210 -10.465 1.00 55.25 C ATOM 797 C GLU A 50 -0.974 17.548 -10.815 1.00 32.42 C ATOM 798 O GLU A 50 -0.909 16.629 -11.636 1.00 30.23 O ATOM 799 CB GLU A 50 -2.537 19.465 -11.347 1.00 53.11 C ATOM 800 CG GLU A 50 -3.759 20.323 -10.957 1.00 72.40 C ATOM 801 CD GLU A 50 -3.786 21.677 -11.689 1.00 20.51 C ATOM 802 OE1 GLU A 50 -3.126 22.634 -11.217 1.00 53.12 O ATOM 803 OE2 GLU A 50 -4.448 21.788 -12.742 1.00 35.10 O ATOM 0 H GLU A 50 -2.222 19.605 -8.900 1.00 54.12 H new ATOM 0 HA GLU A 50 -3.126 17.494 -10.650 1.00 55.25 H new ATOM 0 HB2 GLU A 50 -1.642 20.085 -11.295 1.00 53.11 H new ATOM 0 HB3 GLU A 50 -2.647 19.150 -12.385 1.00 53.11 H new ATOM 0 HG2 GLU A 50 -4.672 19.773 -11.183 1.00 72.40 H new ATOM 0 HG3 GLU A 50 -3.749 20.496 -9.881 1.00 72.40 H new ATOM 810 N ASN A 51 0.110 18.054 -10.188 1.00 33.33 N ATOM 811 CA ASN A 51 1.478 17.529 -10.371 1.00 31.44 C ATOM 812 C ASN A 51 1.730 16.329 -9.420 1.00 22.15 C ATOM 813 O ASN A 51 2.424 16.430 -8.395 1.00 22.35 O ATOM 814 CB ASN A 51 2.520 18.642 -10.146 1.00 63.20 C ATOM 815 CG ASN A 51 2.337 19.839 -11.063 1.00 22.12 C ATOM 816 OD1 ASN A 51 1.674 20.810 -10.715 1.00 24.30 O ATOM 817 ND2 ASN A 51 2.899 19.770 -12.253 1.00 5.32 N ATOM 0 H ASN A 51 0.059 18.840 -9.540 1.00 33.33 H new ATOM 0 HA ASN A 51 1.580 17.175 -11.397 1.00 31.44 H new ATOM 0 HB2 ASN A 51 2.465 18.976 -9.110 1.00 63.20 H new ATOM 0 HB3 ASN A 51 3.518 18.230 -10.295 1.00 63.20 H new ATOM 0 HD21 ASN A 51 2.788 20.538 -12.915 1.00 5.32 H new ATOM 0 HD22 ASN A 51 3.445 18.948 -12.512 1.00 5.32 H new ATOM 824 N LYS A 52 1.146 15.187 -9.794 1.00 71.24 N ATOM 825 CA LYS A 52 1.131 13.962 -8.977 1.00 33.02 C ATOM 826 C LYS A 52 2.503 13.231 -8.941 1.00 21.41 C ATOM 827 O LYS A 52 2.789 12.514 -7.981 1.00 25.40 O ATOM 828 CB LYS A 52 0.001 13.034 -9.507 1.00 3.34 C ATOM 829 CG LYS A 52 -0.205 11.718 -8.725 1.00 13.53 C ATOM 830 CD LYS A 52 -0.544 11.915 -7.226 1.00 32.51 C ATOM 831 CE LYS A 52 -1.928 12.546 -6.945 1.00 61.23 C ATOM 832 NZ LYS A 52 -1.934 14.031 -7.067 1.00 23.54 N ATOM 0 H LYS A 52 0.662 15.082 -10.686 1.00 71.24 H new ATOM 0 HA LYS A 52 0.934 14.241 -7.942 1.00 33.02 H new ATOM 0 HB2 LYS A 52 -0.936 13.591 -9.498 1.00 3.34 H new ATOM 0 HB3 LYS A 52 0.216 12.788 -10.547 1.00 3.34 H new ATOM 0 HG2 LYS A 52 -1.008 11.151 -9.196 1.00 13.53 H new ATOM 0 HG3 LYS A 52 0.700 11.116 -8.805 1.00 13.53 H new ATOM 0 HD2 LYS A 52 -0.495 10.947 -6.728 1.00 32.51 H new ATOM 0 HD3 LYS A 52 0.223 12.544 -6.775 1.00 32.51 H new ATOM 0 HE2 LYS A 52 -2.658 12.128 -7.639 1.00 61.23 H new ATOM 0 HE3 LYS A 52 -2.249 12.270 -5.941 1.00 61.23 H new ATOM 0 HZ1 LYS A 52 -2.762 14.331 -7.620 1.00 23.54 H new ATOM 0 HZ2 LYS A 52 -1.978 14.457 -6.119 1.00 23.54 H new ATOM 0 HZ3 LYS A 52 -1.066 14.343 -7.547 1.00 23.54 H new ATOM 846 N GLU A 53 3.369 13.444 -9.956 1.00 3.12 N ATOM 847 CA GLU A 53 4.696 12.766 -10.021 1.00 61.44 C ATOM 848 C GLU A 53 5.648 13.231 -8.893 1.00 33.31 C ATOM 849 O GLU A 53 6.610 12.535 -8.571 1.00 2.22 O ATOM 850 CB GLU A 53 5.391 12.931 -11.406 1.00 12.03 C ATOM 851 CG GLU A 53 5.891 14.354 -11.779 1.00 21.51 C ATOM 852 CD GLU A 53 4.813 15.257 -12.399 1.00 42.20 C ATOM 853 OE1 GLU A 53 3.998 15.820 -11.657 1.00 3.44 O ATOM 854 OE2 GLU A 53 4.771 15.395 -13.638 1.00 43.43 O ATOM 0 H GLU A 53 3.182 14.072 -10.737 1.00 3.12 H new ATOM 0 HA GLU A 53 4.485 11.706 -9.878 1.00 61.44 H new ATOM 0 HB2 GLU A 53 6.243 12.253 -11.440 1.00 12.03 H new ATOM 0 HB3 GLU A 53 4.693 12.604 -12.177 1.00 12.03 H new ATOM 0 HG2 GLU A 53 6.282 14.836 -10.883 1.00 21.51 H new ATOM 0 HG3 GLU A 53 6.721 14.263 -12.480 1.00 21.51 H new ATOM 861 N TYR A 54 5.363 14.407 -8.298 1.00 55.51 N ATOM 862 CA TYR A 54 6.074 14.899 -7.096 1.00 45.22 C ATOM 863 C TYR A 54 5.749 13.994 -5.879 1.00 1.31 C ATOM 864 O TYR A 54 6.634 13.660 -5.087 1.00 22.12 O ATOM 865 CB TYR A 54 5.679 16.366 -6.775 1.00 20.13 C ATOM 866 CG TYR A 54 6.084 17.430 -7.812 1.00 72.30 C ATOM 867 CD1 TYR A 54 5.710 17.328 -9.155 1.00 11.14 C ATOM 868 CD2 TYR A 54 6.816 18.559 -7.437 1.00 30.52 C ATOM 869 CE1 TYR A 54 6.058 18.296 -10.077 1.00 21.13 C ATOM 870 CE2 TYR A 54 7.156 19.531 -8.357 1.00 72.15 C ATOM 871 CZ TYR A 54 6.771 19.396 -9.674 1.00 30.13 C ATOM 872 OH TYR A 54 7.094 20.375 -10.590 1.00 0.31 O ATOM 0 H TYR A 54 4.638 15.041 -8.633 1.00 55.51 H new ATOM 0 HA TYR A 54 7.144 14.866 -7.300 1.00 45.22 H new ATOM 0 HB2 TYR A 54 4.597 16.408 -6.648 1.00 20.13 H new ATOM 0 HB3 TYR A 54 6.123 16.637 -5.817 1.00 20.13 H new ATOM 0 HD1 TYR A 54 5.136 16.473 -9.479 1.00 11.14 H new ATOM 0 HD2 TYR A 54 7.122 18.674 -6.408 1.00 30.52 H new ATOM 0 HE1 TYR A 54 5.769 18.187 -11.112 1.00 21.13 H new ATOM 0 HE2 TYR A 54 7.723 20.396 -8.045 1.00 72.15 H new ATOM 0 HH TYR A 54 7.974 20.748 -10.374 1.00 0.31 H new ATOM 882 N LEU A 55 4.454 13.608 -5.753 1.00 33.54 N ATOM 883 CA LEU A 55 3.977 12.686 -4.699 1.00 44.25 C ATOM 884 C LEU A 55 4.547 11.275 -4.893 1.00 50.32 C ATOM 885 O LEU A 55 5.050 10.679 -3.947 1.00 50.10 O ATOM 886 CB LEU A 55 2.423 12.617 -4.677 1.00 64.41 C ATOM 887 CG LEU A 55 1.802 11.649 -3.610 1.00 42.24 C ATOM 888 CD1 LEU A 55 2.156 12.071 -2.176 1.00 74.42 C ATOM 889 CD2 LEU A 55 0.284 11.506 -3.782 1.00 34.54 C ATOM 0 H LEU A 55 3.715 13.928 -6.379 1.00 33.54 H new ATOM 0 HA LEU A 55 4.329 13.080 -3.746 1.00 44.25 H new ATOM 0 HB2 LEU A 55 2.035 13.620 -4.500 1.00 64.41 H new ATOM 0 HB3 LEU A 55 2.077 12.311 -5.664 1.00 64.41 H new ATOM 0 HG LEU A 55 2.247 10.669 -3.783 1.00 42.24 H new ATOM 0 HD11 LEU A 55 1.706 11.373 -1.470 1.00 74.42 H new ATOM 0 HD12 LEU A 55 3.239 12.065 -2.052 1.00 74.42 H new ATOM 0 HD13 LEU A 55 1.775 13.075 -1.988 1.00 74.42 H new ATOM 0 HD21 LEU A 55 -0.106 10.827 -3.023 1.00 34.54 H new ATOM 0 HD22 LEU A 55 -0.188 12.482 -3.673 1.00 34.54 H new ATOM 0 HD23 LEU A 55 0.066 11.107 -4.773 1.00 34.54 H new ATOM 901 N ILE A 56 4.452 10.757 -6.130 1.00 63.50 N ATOM 902 CA ILE A 56 4.940 9.405 -6.487 1.00 10.11 C ATOM 903 C ILE A 56 6.461 9.269 -6.199 1.00 25.24 C ATOM 904 O ILE A 56 6.915 8.238 -5.708 1.00 74.41 O ATOM 905 CB ILE A 56 4.615 9.076 -7.989 1.00 24.15 C ATOM 906 CG1 ILE A 56 3.081 9.237 -8.254 1.00 34.53 C ATOM 907 CG2 ILE A 56 5.091 7.653 -8.372 1.00 3.13 C ATOM 908 CD1 ILE A 56 2.668 9.086 -9.706 1.00 1.35 C ATOM 0 H ILE A 56 4.035 11.260 -6.913 1.00 63.50 H new ATOM 0 HA ILE A 56 4.419 8.679 -5.863 1.00 10.11 H new ATOM 0 HB ILE A 56 5.158 9.783 -8.617 1.00 24.15 H new ATOM 0 HG12 ILE A 56 2.544 8.498 -7.659 1.00 34.53 H new ATOM 0 HG13 ILE A 56 2.767 10.219 -7.901 1.00 34.53 H new ATOM 0 HG21 ILE A 56 4.851 7.458 -9.417 1.00 3.13 H new ATOM 0 HG22 ILE A 56 6.169 7.579 -8.228 1.00 3.13 H new ATOM 0 HG23 ILE A 56 4.589 6.919 -7.741 1.00 3.13 H new ATOM 0 HD11 ILE A 56 1.589 9.213 -9.792 1.00 1.35 H new ATOM 0 HD12 ILE A 56 3.172 9.842 -10.308 1.00 1.35 H new ATOM 0 HD13 ILE A 56 2.946 8.094 -10.062 1.00 1.35 H new ATOM 920 N THR A 57 7.205 10.363 -6.461 1.00 1.01 N ATOM 921 CA THR A 57 8.637 10.516 -6.084 1.00 34.22 C ATOM 922 C THR A 57 8.876 10.300 -4.564 1.00 1.42 C ATOM 923 O THR A 57 9.882 9.718 -4.147 1.00 22.51 O ATOM 924 CB THR A 57 9.149 11.945 -6.518 1.00 33.23 C ATOM 925 OG1 THR A 57 9.384 11.977 -7.932 1.00 43.20 O ATOM 926 CG2 THR A 57 10.409 12.402 -5.770 1.00 71.41 C ATOM 0 H THR A 57 6.830 11.178 -6.946 1.00 1.01 H new ATOM 0 HA THR A 57 9.200 9.744 -6.608 1.00 34.22 H new ATOM 0 HB THR A 57 8.358 12.646 -6.250 1.00 33.23 H new ATOM 0 HG1 THR A 57 8.542 12.159 -8.399 1.00 43.20 H new ATOM 0 HG21 THR A 57 10.702 13.392 -6.121 1.00 71.41 H new ATOM 0 HG22 THR A 57 10.203 12.442 -4.700 1.00 71.41 H new ATOM 0 HG23 THR A 57 11.219 11.697 -5.957 1.00 71.41 H new ATOM 934 N LEU A 58 7.948 10.799 -3.752 1.00 33.44 N ATOM 935 CA LEU A 58 7.992 10.629 -2.291 1.00 34.43 C ATOM 936 C LEU A 58 7.487 9.230 -1.868 1.00 43.10 C ATOM 937 O LEU A 58 7.952 8.705 -0.878 1.00 25.41 O ATOM 938 CB LEU A 58 7.149 11.753 -1.638 1.00 1.11 C ATOM 939 CG LEU A 58 7.625 13.204 -1.969 1.00 21.01 C ATOM 940 CD1 LEU A 58 6.566 14.253 -1.638 1.00 32.21 C ATOM 941 CD2 LEU A 58 8.969 13.529 -1.286 1.00 60.54 C ATOM 0 H LEU A 58 7.143 11.333 -4.081 1.00 33.44 H new ATOM 0 HA LEU A 58 9.025 10.702 -1.950 1.00 34.43 H new ATOM 0 HB2 LEU A 58 6.113 11.644 -1.958 1.00 1.11 H new ATOM 0 HB3 LEU A 58 7.165 11.618 -0.556 1.00 1.11 H new ATOM 0 HG LEU A 58 7.782 13.242 -3.047 1.00 21.01 H new ATOM 0 HD11 LEU A 58 6.946 15.244 -1.886 1.00 32.21 H new ATOM 0 HD12 LEU A 58 5.664 14.055 -2.217 1.00 32.21 H new ATOM 0 HD13 LEU A 58 6.331 14.210 -0.574 1.00 32.21 H new ATOM 0 HD21 LEU A 58 9.269 14.546 -1.539 1.00 60.54 H new ATOM 0 HD22 LEU A 58 8.858 13.441 -0.205 1.00 60.54 H new ATOM 0 HD23 LEU A 58 9.731 12.830 -1.631 1.00 60.54 H new ATOM 953 N LEU A 59 6.570 8.627 -2.657 1.00 40.34 N ATOM 954 CA LEU A 59 5.895 7.342 -2.314 1.00 71.21 C ATOM 955 C LEU A 59 6.782 6.097 -2.538 1.00 71.40 C ATOM 956 O LEU A 59 6.876 5.245 -1.646 1.00 31.34 O ATOM 957 CB LEU A 59 4.576 7.197 -3.112 1.00 23.22 C ATOM 958 CG LEU A 59 3.431 8.179 -2.731 1.00 1.11 C ATOM 959 CD1 LEU A 59 2.238 8.026 -3.690 1.00 41.21 C ATOM 960 CD2 LEU A 59 3.001 7.999 -1.253 1.00 14.13 C ATOM 0 H LEU A 59 6.272 9.013 -3.553 1.00 40.34 H new ATOM 0 HA LEU A 59 5.685 7.388 -1.245 1.00 71.21 H new ATOM 0 HB2 LEU A 59 4.800 7.326 -4.171 1.00 23.22 H new ATOM 0 HB3 LEU A 59 4.210 6.178 -2.986 1.00 23.22 H new ATOM 0 HG LEU A 59 3.811 9.195 -2.833 1.00 1.11 H new ATOM 0 HD11 LEU A 59 1.450 8.722 -3.404 1.00 41.21 H new ATOM 0 HD12 LEU A 59 2.560 8.241 -4.709 1.00 41.21 H new ATOM 0 HD13 LEU A 59 1.857 7.006 -3.637 1.00 41.21 H new ATOM 0 HD21 LEU A 59 2.200 8.700 -1.019 1.00 14.13 H new ATOM 0 HD22 LEU A 59 2.648 6.979 -1.098 1.00 14.13 H new ATOM 0 HD23 LEU A 59 3.853 8.191 -0.600 1.00 14.13 H new ATOM 972 N GLU A 60 7.407 5.967 -3.726 1.00 74.23 N ATOM 973 CA GLU A 60 8.268 4.799 -4.020 1.00 3.24 C ATOM 974 C GLU A 60 9.568 4.808 -3.176 1.00 62.20 C ATOM 975 O GLU A 60 10.061 3.753 -2.798 1.00 44.52 O ATOM 976 CB GLU A 60 8.522 4.622 -5.556 1.00 22.32 C ATOM 977 CG GLU A 60 8.943 5.875 -6.361 1.00 41.01 C ATOM 978 CD GLU A 60 10.369 6.353 -6.089 1.00 24.41 C ATOM 979 OE1 GLU A 60 11.331 5.704 -6.545 1.00 43.12 O ATOM 980 OE2 GLU A 60 10.531 7.377 -5.423 1.00 40.43 O ATOM 0 H GLU A 60 7.335 6.643 -4.487 1.00 74.23 H new ATOM 0 HA GLU A 60 7.721 3.909 -3.710 1.00 3.24 H new ATOM 0 HB2 GLU A 60 9.296 3.865 -5.684 1.00 22.32 H new ATOM 0 HB3 GLU A 60 7.611 4.225 -6.004 1.00 22.32 H new ATOM 0 HG2 GLU A 60 8.842 5.659 -7.425 1.00 41.01 H new ATOM 0 HG3 GLU A 60 8.252 6.687 -6.134 1.00 41.01 H new ATOM 987 N HIS A 61 10.097 6.005 -2.851 1.00 53.40 N ATOM 988 CA HIS A 61 11.217 6.143 -1.887 1.00 74.21 C ATOM 989 C HIS A 61 10.737 5.988 -0.423 1.00 30.22 C ATOM 990 O HIS A 61 11.527 5.601 0.435 1.00 34.43 O ATOM 991 CB HIS A 61 11.973 7.489 -2.087 1.00 43.25 C ATOM 992 CG HIS A 61 13.215 7.384 -2.939 1.00 64.41 C ATOM 993 ND1 HIS A 61 13.220 7.567 -4.298 1.00 72.13 N ATOM 994 CD2 HIS A 61 14.507 7.152 -2.601 1.00 11.24 C ATOM 995 CE1 HIS A 61 14.438 7.452 -4.758 1.00 51.35 C ATOM 996 NE2 HIS A 61 15.243 7.205 -3.753 1.00 63.44 N ATOM 0 H HIS A 61 9.770 6.890 -3.239 1.00 53.40 H new ATOM 0 HA HIS A 61 11.916 5.332 -2.089 1.00 74.21 H new ATOM 0 HB2 HIS A 61 11.294 8.209 -2.543 1.00 43.25 H new ATOM 0 HB3 HIS A 61 12.249 7.886 -1.110 1.00 43.25 H new ATOM 0 HD1 HIS A 61 12.396 7.764 -4.866 1.00 72.13 H new ATOM 0 HD2 HIS A 61 14.885 6.961 -1.607 1.00 11.24 H new ATOM 0 HE1 HIS A 61 14.732 7.545 -5.793 1.00 51.35 H new ATOM 1005 N LEU A 62 9.458 6.312 -0.142 1.00 25.43 N ATOM 1006 CA LEU A 62 8.844 6.106 1.197 1.00 64.45 C ATOM 1007 C LEU A 62 8.842 4.617 1.554 1.00 14.42 C ATOM 1008 O LEU A 62 9.330 4.210 2.600 1.00 31.32 O ATOM 1009 CB LEU A 62 7.385 6.650 1.219 1.00 22.51 C ATOM 1010 CG LEU A 62 6.606 6.568 2.568 1.00 20.21 C ATOM 1011 CD1 LEU A 62 7.322 7.360 3.665 1.00 61.52 C ATOM 1012 CD2 LEU A 62 5.150 7.055 2.406 1.00 1.22 C ATOM 0 H LEU A 62 8.822 6.721 -0.827 1.00 25.43 H new ATOM 0 HA LEU A 62 9.436 6.652 1.932 1.00 64.45 H new ATOM 0 HB2 LEU A 62 7.411 7.695 0.908 1.00 22.51 H new ATOM 0 HB3 LEU A 62 6.812 6.108 0.466 1.00 22.51 H new ATOM 0 HG LEU A 62 6.578 5.520 2.867 1.00 20.21 H new ATOM 0 HD11 LEU A 62 6.758 7.286 4.595 1.00 61.52 H new ATOM 0 HD12 LEU A 62 8.322 6.953 3.814 1.00 61.52 H new ATOM 0 HD13 LEU A 62 7.397 8.406 3.368 1.00 61.52 H new ATOM 0 HD21 LEU A 62 4.634 6.985 3.364 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.148 8.091 2.068 1.00 1.22 H new ATOM 0 HD23 LEU A 62 4.638 6.433 1.672 1.00 1.22 H new ATOM 1024 N MET A 63 8.320 3.805 0.636 1.00 21.42 N ATOM 1025 CA MET A 63 8.196 2.363 0.842 1.00 35.12 C ATOM 1026 C MET A 63 9.548 1.644 0.748 1.00 22.43 C ATOM 1027 O MET A 63 9.692 0.593 1.323 1.00 13.34 O ATOM 1028 CB MET A 63 7.182 1.779 -0.149 1.00 40.14 C ATOM 1029 CG MET A 63 7.600 1.851 -1.626 1.00 31.02 C ATOM 1030 SD MET A 63 6.192 1.887 -2.743 1.00 45.12 S ATOM 1031 CE MET A 63 5.111 0.681 -1.992 1.00 21.34 C ATOM 0 H MET A 63 7.973 4.126 -0.268 1.00 21.42 H new ATOM 0 HA MET A 63 7.832 2.199 1.856 1.00 35.12 H new ATOM 0 HB2 MET A 63 7.002 0.736 0.111 1.00 40.14 H new ATOM 0 HB3 MET A 63 6.235 2.306 -0.029 1.00 40.14 H new ATOM 0 HG2 MET A 63 8.208 2.742 -1.785 1.00 31.02 H new ATOM 0 HG3 MET A 63 8.226 0.991 -1.865 1.00 31.02 H new ATOM 0 HE1 MET A 63 4.075 0.926 -2.225 1.00 21.34 H new ATOM 0 HE2 MET A 63 5.346 -0.310 -2.380 1.00 21.34 H new ATOM 0 HE3 MET A 63 5.251 0.690 -0.911 1.00 21.34 H new ATOM 1041 N LYS A 64 10.515 2.214 0.001 1.00 23.13 N ATOM 1042 CA LYS A 64 11.906 1.693 -0.056 1.00 71.30 C ATOM 1043 C LYS A 64 12.752 2.100 1.175 1.00 30.34 C ATOM 1044 O LYS A 64 13.735 1.436 1.472 1.00 71.42 O ATOM 1045 CB LYS A 64 12.599 2.152 -1.366 1.00 0.13 C ATOM 1046 CG LYS A 64 12.082 1.444 -2.646 1.00 2.33 C ATOM 1047 CD LYS A 64 12.495 -0.047 -2.735 1.00 1.42 C ATOM 1048 CE LYS A 64 14.021 -0.225 -2.851 1.00 40.42 C ATOM 1049 NZ LYS A 64 14.585 0.494 -4.028 1.00 41.04 N ATOM 0 H LYS A 64 10.362 3.041 -0.576 1.00 23.13 H new ATOM 0 HA LYS A 64 11.837 0.605 -0.043 1.00 71.30 H new ATOM 0 HB2 LYS A 64 12.460 3.227 -1.479 1.00 0.13 H new ATOM 0 HB3 LYS A 64 13.671 1.977 -1.276 1.00 0.13 H new ATOM 0 HG2 LYS A 64 10.995 1.514 -2.677 1.00 2.33 H new ATOM 0 HG3 LYS A 64 12.461 1.971 -3.522 1.00 2.33 H new ATOM 0 HD2 LYS A 64 12.136 -0.575 -1.851 1.00 1.42 H new ATOM 0 HD3 LYS A 64 12.011 -0.505 -3.598 1.00 1.42 H new ATOM 0 HE2 LYS A 64 14.498 0.141 -1.942 1.00 40.42 H new ATOM 0 HE3 LYS A 64 14.256 -1.286 -2.929 1.00 40.42 H new ATOM 0 HZ1 LYS A 64 15.571 0.199 -4.175 1.00 41.04 H new ATOM 0 HZ2 LYS A 64 14.026 0.266 -4.875 1.00 41.04 H new ATOM 0 HZ3 LYS A 64 14.552 1.519 -3.857 1.00 41.04 H new ATOM 1063 N GLU A 65 12.396 3.210 1.843 1.00 61.13 N ATOM 1064 CA GLU A 65 13.040 3.647 3.118 1.00 11.25 C ATOM 1065 C GLU A 65 12.497 2.838 4.319 1.00 55.41 C ATOM 1066 O GLU A 65 13.263 2.330 5.154 1.00 10.41 O ATOM 1067 CB GLU A 65 12.795 5.175 3.325 1.00 23.12 C ATOM 1068 CG GLU A 65 13.207 5.776 4.697 1.00 64.14 C ATOM 1069 CD GLU A 65 14.694 5.604 5.040 1.00 53.43 C ATOM 1070 OE1 GLU A 65 15.530 6.307 4.445 1.00 24.41 O ATOM 1071 OE2 GLU A 65 15.031 4.764 5.902 1.00 74.32 O ATOM 0 H GLU A 65 11.657 3.836 1.525 1.00 61.13 H new ATOM 0 HA GLU A 65 14.112 3.461 3.055 1.00 11.25 H new ATOM 0 HB2 GLU A 65 13.333 5.713 2.544 1.00 23.12 H new ATOM 0 HB3 GLU A 65 11.733 5.371 3.174 1.00 23.12 H new ATOM 0 HG2 GLU A 65 12.965 6.839 4.702 1.00 64.14 H new ATOM 0 HG3 GLU A 65 12.609 5.309 5.480 1.00 64.14 H new ATOM 1078 N PHE A 66 11.165 2.719 4.386 1.00 12.12 N ATOM 1079 CA PHE A 66 10.456 2.057 5.501 1.00 11.45 C ATOM 1080 C PHE A 66 10.177 0.564 5.224 1.00 24.31 C ATOM 1081 O PHE A 66 9.510 -0.102 6.035 1.00 40.44 O ATOM 1082 CB PHE A 66 9.146 2.819 5.803 1.00 13.32 C ATOM 1083 CG PHE A 66 9.374 4.235 6.323 1.00 62.33 C ATOM 1084 CD1 PHE A 66 9.663 5.282 5.457 1.00 62.11 C ATOM 1085 CD2 PHE A 66 9.336 4.510 7.677 1.00 43.34 C ATOM 1086 CE1 PHE A 66 9.894 6.552 5.923 1.00 24.23 C ATOM 1087 CE2 PHE A 66 9.561 5.780 8.143 1.00 23.41 C ATOM 1088 CZ PHE A 66 9.848 6.799 7.263 1.00 4.40 C ATOM 0 H PHE A 66 10.540 3.080 3.666 1.00 12.12 H new ATOM 0 HA PHE A 66 11.106 2.088 6.376 1.00 11.45 H new ATOM 0 HB2 PHE A 66 8.544 2.866 4.895 1.00 13.32 H new ATOM 0 HB3 PHE A 66 8.570 2.258 6.539 1.00 13.32 H new ATOM 0 HD1 PHE A 66 9.707 5.093 4.395 1.00 62.11 H new ATOM 0 HD2 PHE A 66 9.126 3.715 8.377 1.00 43.34 H new ATOM 0 HE1 PHE A 66 10.111 7.352 5.231 1.00 24.23 H new ATOM 0 HE2 PHE A 66 9.513 5.981 9.203 1.00 23.41 H new ATOM 0 HZ PHE A 66 10.037 7.795 7.635 1.00 4.40 H new ATOM 1098 N LEU A 67 10.682 0.056 4.074 1.00 64.34 N ATOM 1099 CA LEU A 67 10.607 -1.375 3.711 1.00 53.11 C ATOM 1100 C LEU A 67 11.177 -2.269 4.819 1.00 3.21 C ATOM 1101 O LEU A 67 10.461 -3.083 5.379 1.00 53.22 O ATOM 1102 CB LEU A 67 11.362 -1.649 2.369 1.00 5.31 C ATOM 1103 CG LEU A 67 10.862 -2.873 1.541 1.00 53.32 C ATOM 1104 CD1 LEU A 67 9.368 -2.721 1.153 1.00 13.14 C ATOM 1105 CD2 LEU A 67 11.746 -3.095 0.295 1.00 52.52 C ATOM 0 H LEU A 67 11.152 0.629 3.374 1.00 64.34 H new ATOM 0 HA LEU A 67 9.553 -1.620 3.583 1.00 53.11 H new ATOM 0 HB2 LEU A 67 11.288 -0.758 1.745 1.00 5.31 H new ATOM 0 HB3 LEU A 67 12.419 -1.794 2.593 1.00 5.31 H new ATOM 0 HG LEU A 67 10.946 -3.758 2.172 1.00 53.32 H new ATOM 0 HD11 LEU A 67 9.051 -3.591 0.577 1.00 13.14 H new ATOM 0 HD12 LEU A 67 8.763 -2.645 2.057 1.00 13.14 H new ATOM 0 HD13 LEU A 67 9.238 -1.821 0.552 1.00 13.14 H new ATOM 0 HD21 LEU A 67 11.376 -3.954 -0.265 1.00 52.52 H new ATOM 0 HD22 LEU A 67 11.713 -2.208 -0.337 1.00 52.52 H new ATOM 0 HD23 LEU A 67 12.774 -3.280 0.607 1.00 52.52 H new ATOM 1117 N ASP A 68 12.459 -2.068 5.162 1.00 32.33 N ATOM 1118 CA ASP A 68 13.183 -2.904 6.142 1.00 70.10 C ATOM 1119 C ASP A 68 12.924 -2.442 7.596 1.00 0.14 C ATOM 1120 O ASP A 68 13.338 -3.117 8.541 1.00 50.31 O ATOM 1121 CB ASP A 68 14.700 -2.903 5.827 1.00 2.24 C ATOM 1122 CG ASP A 68 15.027 -3.532 4.462 1.00 12.14 C ATOM 1123 OD1 ASP A 68 14.793 -4.743 4.297 1.00 22.00 O ATOM 1124 OD2 ASP A 68 15.524 -2.836 3.550 1.00 75.30 O ATOM 0 H ASP A 68 13.028 -1.319 4.768 1.00 32.33 H new ATOM 0 HA ASP A 68 12.804 -3.922 6.056 1.00 70.10 H new ATOM 0 HB2 ASP A 68 15.070 -1.878 5.847 1.00 2.24 H new ATOM 0 HB3 ASP A 68 15.229 -3.448 6.609 1.00 2.24 H new ATOM 1129 N LYS A 69 12.252 -1.280 7.764 1.00 71.43 N ATOM 1130 CA LYS A 69 11.736 -0.842 9.077 1.00 71.32 C ATOM 1131 C LYS A 69 10.578 -1.770 9.505 1.00 75.23 C ATOM 1132 O LYS A 69 9.420 -1.560 9.123 1.00 33.23 O ATOM 1133 CB LYS A 69 11.261 0.634 9.032 1.00 43.32 C ATOM 1134 CG LYS A 69 12.327 1.645 8.568 1.00 30.53 C ATOM 1135 CD LYS A 69 13.613 1.605 9.416 1.00 32.04 C ATOM 1136 CE LYS A 69 14.636 2.666 8.971 1.00 53.33 C ATOM 1137 NZ LYS A 69 15.067 2.492 7.556 1.00 64.24 N ATOM 0 H LYS A 69 12.055 -0.629 7.004 1.00 71.43 H new ATOM 0 HA LYS A 69 12.542 -0.904 9.808 1.00 71.32 H new ATOM 0 HB2 LYS A 69 10.401 0.703 8.366 1.00 43.32 H new ATOM 0 HB3 LYS A 69 10.918 0.920 10.026 1.00 43.32 H new ATOM 0 HG2 LYS A 69 12.580 1.444 7.527 1.00 30.53 H new ATOM 0 HG3 LYS A 69 11.906 2.650 8.606 1.00 30.53 H new ATOM 0 HD2 LYS A 69 13.360 1.764 10.464 1.00 32.04 H new ATOM 0 HD3 LYS A 69 14.064 0.615 9.343 1.00 32.04 H new ATOM 0 HE2 LYS A 69 14.201 3.658 9.095 1.00 53.33 H new ATOM 0 HE3 LYS A 69 15.510 2.617 9.621 1.00 53.33 H new ATOM 0 HZ1 LYS A 69 16.097 2.354 7.521 1.00 64.24 H new ATOM 0 HZ2 LYS A 69 14.593 1.661 7.148 1.00 64.24 H new ATOM 0 HZ3 LYS A 69 14.812 3.339 7.009 1.00 64.24 H new ATOM 1151 N LYS A 70 10.917 -2.814 10.280 1.00 31.13 N ATOM 1152 CA LYS A 70 9.992 -3.916 10.615 1.00 63.24 C ATOM 1153 C LYS A 70 8.882 -3.499 11.611 1.00 12.22 C ATOM 1154 O LYS A 70 7.880 -4.202 11.755 1.00 1.34 O ATOM 1155 CB LYS A 70 10.801 -5.143 11.104 1.00 41.44 C ATOM 1156 CG LYS A 70 11.775 -5.683 10.029 1.00 33.21 C ATOM 1157 CD LYS A 70 12.538 -6.956 10.450 1.00 24.44 C ATOM 1158 CE LYS A 70 13.467 -6.742 11.657 1.00 75.54 C ATOM 1159 NZ LYS A 70 14.282 -7.953 11.958 1.00 23.12 N ATOM 0 H LYS A 70 11.843 -2.920 10.694 1.00 31.13 H new ATOM 0 HA LYS A 70 9.457 -4.193 9.707 1.00 63.24 H new ATOM 0 HB2 LYS A 70 11.366 -4.869 11.995 1.00 41.44 H new ATOM 0 HB3 LYS A 70 10.111 -5.935 11.395 1.00 41.44 H new ATOM 0 HG2 LYS A 70 11.213 -5.894 9.119 1.00 33.21 H new ATOM 0 HG3 LYS A 70 12.497 -4.904 9.785 1.00 33.21 H new ATOM 0 HD2 LYS A 70 11.819 -7.739 10.689 1.00 24.44 H new ATOM 0 HD3 LYS A 70 13.128 -7.313 9.606 1.00 24.44 H new ATOM 0 HE2 LYS A 70 14.130 -5.899 11.459 1.00 75.54 H new ATOM 0 HE3 LYS A 70 12.871 -6.480 12.531 1.00 75.54 H new ATOM 0 HZ1 LYS A 70 14.893 -7.765 12.778 1.00 23.12 H new ATOM 0 HZ2 LYS A 70 13.651 -8.752 12.172 1.00 23.12 H new ATOM 0 HZ3 LYS A 70 14.871 -8.189 11.134 1.00 23.12 H new ATOM 1173 N LYS A 71 9.059 -2.338 12.265 1.00 5.42 N ATOM 1174 CA LYS A 71 8.006 -1.701 13.093 1.00 30.43 C ATOM 1175 C LYS A 71 6.867 -1.106 12.211 1.00 35.21 C ATOM 1176 O LYS A 71 5.727 -0.970 12.667 1.00 4.25 O ATOM 1177 CB LYS A 71 8.630 -0.586 13.975 1.00 41.24 C ATOM 1178 CG LYS A 71 9.329 0.536 13.174 1.00 45.44 C ATOM 1179 CD LYS A 71 9.898 1.669 14.053 1.00 53.12 C ATOM 1180 CE LYS A 71 8.800 2.451 14.791 1.00 4.23 C ATOM 1181 NZ LYS A 71 9.352 3.592 15.564 1.00 34.45 N ATOM 0 H LYS A 71 9.932 -1.811 12.238 1.00 5.42 H new ATOM 0 HA LYS A 71 7.569 -2.470 13.730 1.00 30.43 H new ATOM 0 HB2 LYS A 71 7.847 -0.144 14.591 1.00 41.24 H new ATOM 0 HB3 LYS A 71 9.353 -1.037 14.654 1.00 41.24 H new ATOM 0 HG2 LYS A 71 10.140 0.101 12.589 1.00 45.44 H new ATOM 0 HG3 LYS A 71 8.618 0.961 12.466 1.00 45.44 H new ATOM 0 HD2 LYS A 71 10.590 1.246 14.781 1.00 53.12 H new ATOM 0 HD3 LYS A 71 10.471 2.355 13.429 1.00 53.12 H new ATOM 0 HE2 LYS A 71 8.071 2.821 14.070 1.00 4.23 H new ATOM 0 HE3 LYS A 71 8.268 1.780 15.465 1.00 4.23 H new ATOM 0 HZ1 LYS A 71 9.096 3.488 16.567 1.00 34.45 H new ATOM 0 HZ2 LYS A 71 10.388 3.606 15.471 1.00 34.45 H new ATOM 0 HZ3 LYS A 71 8.960 4.482 15.197 1.00 34.45 H new ATOM 1195 N TYR A 72 7.190 -0.750 10.949 1.00 10.41 N ATOM 1196 CA TYR A 72 6.218 -0.160 9.991 1.00 21.41 C ATOM 1197 C TYR A 72 5.552 -1.205 9.060 1.00 21.24 C ATOM 1198 O TYR A 72 4.676 -0.845 8.273 1.00 32.21 O ATOM 1199 CB TYR A 72 6.904 0.952 9.152 1.00 21.43 C ATOM 1200 CG TYR A 72 7.172 2.243 9.946 1.00 51.14 C ATOM 1201 CD1 TYR A 72 6.140 3.146 10.205 1.00 1.11 C ATOM 1202 CD2 TYR A 72 8.439 2.561 10.444 1.00 31.44 C ATOM 1203 CE1 TYR A 72 6.361 4.303 10.924 1.00 24.33 C ATOM 1204 CE2 TYR A 72 8.664 3.723 11.164 1.00 62.31 C ATOM 1205 CZ TYR A 72 7.623 4.592 11.400 1.00 23.22 C ATOM 1206 OH TYR A 72 7.844 5.751 12.112 1.00 13.04 O ATOM 0 H TYR A 72 8.127 -0.861 10.562 1.00 10.41 H new ATOM 0 HA TYR A 72 5.415 0.268 10.590 1.00 21.41 H new ATOM 0 HB2 TYR A 72 7.848 0.572 8.762 1.00 21.43 H new ATOM 0 HB3 TYR A 72 6.276 1.187 8.293 1.00 21.43 H new ATOM 0 HD1 TYR A 72 5.148 2.935 9.835 1.00 1.11 H new ATOM 0 HD2 TYR A 72 9.262 1.885 10.263 1.00 31.44 H new ATOM 0 HE1 TYR A 72 5.544 4.984 11.114 1.00 24.33 H new ATOM 0 HE2 TYR A 72 9.652 3.946 11.539 1.00 62.31 H new ATOM 0 HH TYR A 72 7.073 6.348 12.013 1.00 13.04 H new ATOM 1216 N HIS A 73 5.934 -2.493 9.175 1.00 11.33 N ATOM 1217 CA HIS A 73 5.368 -3.578 8.325 1.00 21.03 C ATOM 1218 C HIS A 73 3.842 -3.746 8.492 1.00 54.21 C ATOM 1219 O HIS A 73 3.169 -4.148 7.564 1.00 72.20 O ATOM 1220 CB HIS A 73 6.075 -4.929 8.606 1.00 41.30 C ATOM 1221 CG HIS A 73 7.438 -5.061 7.989 1.00 22.45 C ATOM 1222 ND1 HIS A 73 8.027 -6.276 7.735 1.00 13.10 N ATOM 1223 CD2 HIS A 73 8.335 -4.134 7.592 1.00 10.21 C ATOM 1224 CE1 HIS A 73 9.215 -6.091 7.228 1.00 1.45 C ATOM 1225 NE2 HIS A 73 9.429 -4.806 7.124 1.00 61.51 N ATOM 0 H HIS A 73 6.632 -2.814 9.846 1.00 11.33 H new ATOM 0 HA HIS A 73 5.551 -3.276 7.294 1.00 21.03 H new ATOM 0 HB2 HIS A 73 6.164 -5.060 9.684 1.00 41.30 H new ATOM 0 HB3 HIS A 73 5.444 -5.738 8.238 1.00 41.30 H new ATOM 0 HD2 HIS A 73 8.211 -3.062 7.636 1.00 10.21 H new ATOM 0 HE1 HIS A 73 9.906 -6.870 6.942 1.00 1.45 H new ATOM 0 HE2 HIS A 73 10.276 -4.374 6.753 1.00 61.51 H new ATOM 1234 N ASN A 74 3.313 -3.485 9.687 1.00 0.22 N ATOM 1235 CA ASN A 74 1.856 -3.595 9.973 1.00 43.04 C ATOM 1236 C ASN A 74 1.268 -2.234 10.398 1.00 35.21 C ATOM 1237 O ASN A 74 0.216 -2.169 11.039 1.00 1.11 O ATOM 1238 CB ASN A 74 1.649 -4.672 11.065 1.00 31.02 C ATOM 1239 CG ASN A 74 2.231 -6.041 10.684 1.00 40.42 C ATOM 1240 OD1 ASN A 74 2.176 -6.416 9.411 1.00 12.04 O flip ATOM 1241 ND2 ASN A 74 2.709 -6.771 11.536 1.00 43.12 N flip ATOM 0 H ASN A 74 3.868 -3.191 10.491 1.00 0.22 H new ATOM 0 HA ASN A 74 1.325 -3.893 9.069 1.00 43.04 H new ATOM 0 HB2 ASN A 74 2.111 -4.333 11.992 1.00 31.02 H new ATOM 0 HB3 ASN A 74 0.582 -4.780 11.262 1.00 31.02 H new ATOM 0 HD21 ASN A 74 2.743 -6.466 12.509 1.00 43.12 H new ATOM 0 HD22 ASN A 74 3.075 -7.687 11.276 1.00 43.12 H new ATOM 1248 N ASP A 75 1.960 -1.154 10.003 1.00 53.51 N ATOM 1249 CA ASP A 75 1.556 0.233 10.295 1.00 23.12 C ATOM 1250 C ASP A 75 0.451 0.688 9.304 1.00 20.54 C ATOM 1251 O ASP A 75 0.745 0.859 8.119 1.00 40.30 O ATOM 1252 CB ASP A 75 2.805 1.140 10.181 1.00 50.14 C ATOM 1253 CG ASP A 75 2.602 2.550 10.740 1.00 35.12 C ATOM 1254 OD1 ASP A 75 2.041 3.412 10.035 1.00 74.15 O ATOM 1255 OD2 ASP A 75 2.994 2.797 11.899 1.00 10.33 O ATOM 0 H ASP A 75 2.825 -1.218 9.466 1.00 53.51 H new ATOM 0 HA ASP A 75 1.147 0.302 11.303 1.00 23.12 H new ATOM 0 HB2 ASP A 75 3.634 0.667 10.707 1.00 50.14 H new ATOM 0 HB3 ASP A 75 3.094 1.214 9.132 1.00 50.14 H new ATOM 1260 N PRO A 76 -0.831 0.894 9.764 1.00 73.01 N ATOM 1261 CA PRO A 76 -1.962 1.263 8.863 1.00 42.22 C ATOM 1262 C PRO A 76 -1.701 2.529 7.999 1.00 21.24 C ATOM 1263 O PRO A 76 -2.178 2.605 6.871 1.00 32.11 O ATOM 1264 CB PRO A 76 -3.163 1.466 9.831 1.00 51.33 C ATOM 1265 CG PRO A 76 -2.558 1.590 11.202 1.00 15.44 C ATOM 1266 CD PRO A 76 -1.290 0.761 11.174 1.00 21.14 C ATOM 0 HA PRO A 76 -2.133 0.487 8.117 1.00 42.22 H new ATOM 0 HB2 PRO A 76 -3.730 2.359 9.570 1.00 51.33 H new ATOM 0 HB3 PRO A 76 -3.854 0.624 9.782 1.00 51.33 H new ATOM 0 HG2 PRO A 76 -2.339 2.631 11.439 1.00 15.44 H new ATOM 0 HG3 PRO A 76 -3.245 1.227 11.966 1.00 15.44 H new ATOM 0 HD2 PRO A 76 -0.547 1.137 11.877 1.00 21.14 H new ATOM 0 HD3 PRO A 76 -1.482 -0.279 11.439 1.00 21.14 H new ATOM 1274 N ARG A 77 -0.923 3.496 8.526 1.00 13.33 N ATOM 1275 CA ARG A 77 -0.552 4.726 7.780 1.00 11.25 C ATOM 1276 C ARG A 77 0.441 4.410 6.633 1.00 32.40 C ATOM 1277 O ARG A 77 0.214 4.812 5.492 1.00 10.13 O ATOM 1278 CB ARG A 77 0.025 5.791 8.753 1.00 65.13 C ATOM 1279 CG ARG A 77 -0.988 6.269 9.818 1.00 33.12 C ATOM 1280 CD ARG A 77 -0.366 7.169 10.901 1.00 43.55 C ATOM 1281 NE ARG A 77 0.097 8.480 10.390 1.00 74.50 N ATOM 1282 CZ ARG A 77 -0.114 9.643 10.987 1.00 32.20 C ATOM 1283 NH1 ARG A 77 -0.824 9.723 12.072 1.00 41.44 N ATOM 1284 NH2 ARG A 77 0.374 10.722 10.487 1.00 11.34 N ATOM 0 H ARG A 77 -0.536 3.453 9.469 1.00 13.33 H new ATOM 0 HA ARG A 77 -1.452 5.135 7.322 1.00 11.25 H new ATOM 0 HB2 ARG A 77 0.899 5.377 9.255 1.00 65.13 H new ATOM 0 HB3 ARG A 77 0.366 6.651 8.176 1.00 65.13 H new ATOM 0 HG2 ARG A 77 -1.793 6.813 9.323 1.00 33.12 H new ATOM 0 HG3 ARG A 77 -1.438 5.399 10.295 1.00 33.12 H new ATOM 0 HD2 ARG A 77 -1.100 7.335 11.689 1.00 43.55 H new ATOM 0 HD3 ARG A 77 0.477 6.647 11.355 1.00 43.55 H new ATOM 0 HE ARG A 77 0.617 8.487 9.513 1.00 74.50 H new ATOM 0 HH11 ARG A 77 -1.230 8.881 12.479 1.00 41.44 H new ATOM 0 HH12 ARG A 77 -0.975 10.628 12.517 1.00 41.44 H new ATOM 0 HH21 ARG A 77 0.925 10.683 9.629 1.00 11.34 H new ATOM 0 HH22 ARG A 77 0.211 11.617 10.948 1.00 11.34 H new ATOM 1298 N PHE A 78 1.521 3.659 6.943 1.00 50.14 N ATOM 1299 CA PHE A 78 2.525 3.237 5.934 1.00 10.10 C ATOM 1300 C PHE A 78 1.887 2.374 4.803 1.00 74.02 C ATOM 1301 O PHE A 78 2.117 2.630 3.608 1.00 70.43 O ATOM 1302 CB PHE A 78 3.688 2.465 6.618 1.00 24.14 C ATOM 1303 CG PHE A 78 4.715 1.900 5.630 1.00 22.22 C ATOM 1304 CD1 PHE A 78 5.415 2.746 4.770 1.00 53.21 C ATOM 1305 CD2 PHE A 78 4.959 0.525 5.539 1.00 74.31 C ATOM 1306 CE1 PHE A 78 6.308 2.239 3.859 1.00 1.21 C ATOM 1307 CE2 PHE A 78 5.858 0.020 4.625 1.00 1.44 C ATOM 1308 CZ PHE A 78 6.538 0.874 3.788 1.00 3.30 C ATOM 0 H PHE A 78 1.722 3.330 7.887 1.00 50.14 H new ATOM 0 HA PHE A 78 2.922 4.139 5.469 1.00 10.10 H new ATOM 0 HB2 PHE A 78 4.196 3.132 7.315 1.00 24.14 H new ATOM 0 HB3 PHE A 78 3.273 1.646 7.206 1.00 24.14 H new ATOM 0 HD1 PHE A 78 5.253 3.812 4.821 1.00 53.21 H new ATOM 0 HD2 PHE A 78 4.434 -0.152 6.196 1.00 74.31 H new ATOM 0 HE1 PHE A 78 6.834 2.908 3.194 1.00 1.21 H new ATOM 0 HE2 PHE A 78 6.029 -1.045 4.566 1.00 1.44 H new ATOM 0 HZ PHE A 78 7.250 0.482 3.077 1.00 3.30 H new ATOM 1318 N ILE A 79 1.093 1.359 5.200 1.00 25.23 N ATOM 1319 CA ILE A 79 0.343 0.483 4.262 1.00 50.45 C ATOM 1320 C ILE A 79 -0.658 1.310 3.423 1.00 73.44 C ATOM 1321 O ILE A 79 -0.809 1.059 2.229 1.00 64.43 O ATOM 1322 CB ILE A 79 -0.386 -0.718 5.024 1.00 63.51 C ATOM 1323 CG1 ILE A 79 0.622 -1.867 5.381 1.00 60.43 C ATOM 1324 CG2 ILE A 79 -1.589 -1.313 4.224 1.00 65.02 C ATOM 1325 CD1 ILE A 79 1.775 -1.502 6.303 1.00 33.31 C ATOM 0 H ILE A 79 0.950 1.119 6.181 1.00 25.23 H new ATOM 0 HA ILE A 79 1.065 0.033 3.581 1.00 50.45 H new ATOM 0 HB ILE A 79 -0.782 -0.282 5.942 1.00 63.51 H new ATOM 0 HG12 ILE A 79 0.062 -2.680 5.842 1.00 60.43 H new ATOM 0 HG13 ILE A 79 1.039 -2.255 4.452 1.00 60.43 H new ATOM 0 HG21 ILE A 79 -2.040 -2.124 4.795 1.00 65.02 H new ATOM 0 HG22 ILE A 79 -2.332 -0.534 4.051 1.00 65.02 H new ATOM 0 HG23 ILE A 79 -1.235 -1.697 3.267 1.00 65.02 H new ATOM 0 HD11 ILE A 79 2.398 -2.380 6.472 1.00 33.31 H new ATOM 0 HD12 ILE A 79 2.374 -0.716 5.843 1.00 33.31 H new ATOM 0 HD13 ILE A 79 1.381 -1.148 7.256 1.00 33.31 H new ATOM 1337 N SER A 80 -1.302 2.318 4.055 1.00 30.41 N ATOM 1338 CA SER A 80 -2.206 3.270 3.355 1.00 44.45 C ATOM 1339 C SER A 80 -1.497 3.994 2.192 1.00 73.53 C ATOM 1340 O SER A 80 -2.106 4.239 1.152 1.00 43.40 O ATOM 1341 CB SER A 80 -2.769 4.323 4.336 1.00 32.52 C ATOM 1342 OG SER A 80 -3.666 5.217 3.698 1.00 63.25 O ATOM 0 H SER A 80 -1.214 2.497 5.055 1.00 30.41 H new ATOM 0 HA SER A 80 -3.023 2.676 2.946 1.00 44.45 H new ATOM 0 HB2 SER A 80 -3.281 3.818 5.155 1.00 32.52 H new ATOM 0 HB3 SER A 80 -1.946 4.887 4.774 1.00 32.52 H new ATOM 0 HG SER A 80 -4.001 5.866 4.351 1.00 63.25 H new ATOM 1348 N TYR A 81 -0.202 4.319 2.379 1.00 23.53 N ATOM 1349 CA TYR A 81 0.622 4.986 1.343 1.00 14.15 C ATOM 1350 C TYR A 81 1.088 4.026 0.242 1.00 72.14 C ATOM 1351 O TYR A 81 1.373 4.463 -0.873 1.00 61.41 O ATOM 1352 CB TYR A 81 1.820 5.710 1.988 1.00 42.30 C ATOM 1353 CG TYR A 81 1.384 6.916 2.822 1.00 62.43 C ATOM 1354 CD1 TYR A 81 0.595 7.914 2.247 1.00 43.12 C ATOM 1355 CD2 TYR A 81 1.724 7.049 4.166 1.00 52.31 C ATOM 1356 CE1 TYR A 81 0.162 8.986 2.982 1.00 55.41 C ATOM 1357 CE2 TYR A 81 1.294 8.130 4.900 1.00 13.12 C ATOM 1358 CZ TYR A 81 0.512 9.097 4.304 1.00 60.14 C ATOM 1359 OH TYR A 81 0.064 10.176 5.034 1.00 75.15 O ATOM 0 H TYR A 81 0.302 4.129 3.245 1.00 23.53 H new ATOM 0 HA TYR A 81 -0.017 5.723 0.857 1.00 14.15 H new ATOM 0 HB2 TYR A 81 2.367 5.011 2.621 1.00 42.30 H new ATOM 0 HB3 TYR A 81 2.507 6.039 1.208 1.00 42.30 H new ATOM 0 HD1 TYR A 81 0.321 7.840 1.205 1.00 43.12 H new ATOM 0 HD2 TYR A 81 2.334 6.293 4.638 1.00 52.31 H new ATOM 0 HE1 TYR A 81 -0.455 9.743 2.521 1.00 55.41 H new ATOM 0 HE2 TYR A 81 1.568 8.221 5.941 1.00 13.12 H new ATOM 0 HH TYR A 81 0.397 10.110 5.953 1.00 75.15 H new ATOM 1369 N CYS A 82 1.184 2.726 0.563 1.00 22.04 N ATOM 1370 CA CYS A 82 1.364 1.679 -0.458 1.00 13.11 C ATOM 1371 C CYS A 82 0.076 1.528 -1.311 1.00 50.34 C ATOM 1372 O CYS A 82 0.159 1.335 -2.516 1.00 53.21 O ATOM 1373 CB CYS A 82 1.751 0.335 0.191 1.00 20.54 C ATOM 1374 SG CYS A 82 3.257 0.410 1.190 1.00 61.34 S ATOM 0 H CYS A 82 1.140 2.374 1.519 1.00 22.04 H new ATOM 0 HA CYS A 82 2.180 1.980 -1.115 1.00 13.11 H new ATOM 0 HB2 CYS A 82 0.927 -0.005 0.819 1.00 20.54 H new ATOM 0 HB3 CYS A 82 1.883 -0.411 -0.593 1.00 20.54 H new ATOM 0 HG CYS A 82 3.071 1.213 2.195 1.00 61.34 H new ATOM 1380 N LEU A 83 -1.112 1.651 -0.665 1.00 30.31 N ATOM 1381 CA LEU A 83 -2.434 1.629 -1.361 1.00 1.52 C ATOM 1382 C LEU A 83 -2.613 2.887 -2.246 1.00 1.35 C ATOM 1383 O LEU A 83 -3.160 2.824 -3.353 1.00 41.41 O ATOM 1384 CB LEU A 83 -3.616 1.566 -0.352 1.00 31.13 C ATOM 1385 CG LEU A 83 -3.565 0.475 0.761 1.00 34.03 C ATOM 1386 CD1 LEU A 83 -4.889 0.434 1.543 1.00 12.34 C ATOM 1387 CD2 LEU A 83 -3.184 -0.916 0.215 1.00 61.53 C ATOM 0 H LEU A 83 -1.186 1.768 0.346 1.00 30.31 H new ATOM 0 HA LEU A 83 -2.445 0.732 -1.980 1.00 1.52 H new ATOM 0 HB2 LEU A 83 -3.693 2.538 0.135 1.00 31.13 H new ATOM 0 HB3 LEU A 83 -4.534 1.421 -0.921 1.00 31.13 H new ATOM 0 HG LEU A 83 -2.769 0.757 1.450 1.00 34.03 H new ATOM 0 HD11 LEU A 83 -4.832 -0.334 2.315 1.00 12.34 H new ATOM 0 HD12 LEU A 83 -5.067 1.404 2.008 1.00 12.34 H new ATOM 0 HD13 LEU A 83 -5.707 0.203 0.861 1.00 12.34 H new ATOM 0 HD21 LEU A 83 -3.164 -1.635 1.034 1.00 61.53 H new ATOM 0 HD22 LEU A 83 -3.919 -1.230 -0.526 1.00 61.53 H new ATOM 0 HD23 LEU A 83 -2.199 -0.867 -0.249 1.00 61.53 H new ATOM 1399 N LYS A 84 -2.162 4.032 -1.709 1.00 33.21 N ATOM 1400 CA LYS A 84 -2.135 5.335 -2.400 1.00 1.44 C ATOM 1401 C LYS A 84 -1.257 5.244 -3.661 1.00 31.41 C ATOM 1402 O LYS A 84 -1.685 5.599 -4.749 1.00 34.41 O ATOM 1403 CB LYS A 84 -1.605 6.415 -1.392 1.00 73.15 C ATOM 1404 CG LYS A 84 -0.844 7.616 -1.989 1.00 12.31 C ATOM 1405 CD LYS A 84 -1.728 8.636 -2.739 1.00 11.23 C ATOM 1406 CE LYS A 84 -2.472 9.598 -1.803 1.00 44.35 C ATOM 1407 NZ LYS A 84 -3.231 10.629 -2.566 1.00 54.42 N ATOM 0 H LYS A 84 -1.796 4.080 -0.758 1.00 33.21 H new ATOM 0 HA LYS A 84 -3.135 5.621 -2.727 1.00 1.44 H new ATOM 0 HB2 LYS A 84 -2.456 6.799 -0.829 1.00 73.15 H new ATOM 0 HB3 LYS A 84 -0.948 5.918 -0.678 1.00 73.15 H new ATOM 0 HG2 LYS A 84 -0.321 8.133 -1.184 1.00 12.31 H new ATOM 0 HG3 LYS A 84 -0.084 7.242 -2.675 1.00 12.31 H new ATOM 0 HD2 LYS A 84 -1.105 9.214 -3.422 1.00 11.23 H new ATOM 0 HD3 LYS A 84 -2.454 8.098 -3.348 1.00 11.23 H new ATOM 0 HE2 LYS A 84 -3.158 9.034 -1.171 1.00 44.35 H new ATOM 0 HE3 LYS A 84 -1.758 10.087 -1.141 1.00 44.35 H new ATOM 0 HZ1 LYS A 84 -4.114 10.853 -2.064 1.00 54.42 H new ATOM 0 HZ2 LYS A 84 -2.655 11.490 -2.653 1.00 54.42 H new ATOM 0 HZ3 LYS A 84 -3.455 10.265 -3.514 1.00 54.42 H new ATOM 1421 N PHE A 85 -0.035 4.740 -3.482 1.00 55.05 N ATOM 1422 CA PHE A 85 0.930 4.551 -4.573 1.00 21.11 C ATOM 1423 C PHE A 85 0.446 3.486 -5.587 1.00 65.20 C ATOM 1424 O PHE A 85 0.728 3.597 -6.780 1.00 73.13 O ATOM 1425 CB PHE A 85 2.302 4.182 -3.964 1.00 25.43 C ATOM 1426 CG PHE A 85 3.382 3.819 -4.971 1.00 53.40 C ATOM 1427 CD1 PHE A 85 3.878 4.764 -5.868 1.00 40.43 C ATOM 1428 CD2 PHE A 85 3.903 2.534 -5.018 1.00 61.13 C ATOM 1429 CE1 PHE A 85 4.861 4.416 -6.778 1.00 51.03 C ATOM 1430 CE2 PHE A 85 4.876 2.189 -5.918 1.00 60.31 C ATOM 1431 CZ PHE A 85 5.360 3.127 -6.799 1.00 74.23 C ATOM 0 H PHE A 85 0.318 4.449 -2.571 1.00 55.05 H new ATOM 0 HA PHE A 85 1.026 5.481 -5.134 1.00 21.11 H new ATOM 0 HB2 PHE A 85 2.654 5.023 -3.366 1.00 25.43 H new ATOM 0 HB3 PHE A 85 2.165 3.342 -3.284 1.00 25.43 H new ATOM 0 HD1 PHE A 85 3.493 5.773 -5.853 1.00 40.43 H new ATOM 0 HD2 PHE A 85 3.533 1.789 -4.329 1.00 61.13 H new ATOM 0 HE1 PHE A 85 5.239 5.152 -7.472 1.00 51.03 H new ATOM 0 HE2 PHE A 85 5.263 1.181 -5.936 1.00 60.31 H new ATOM 0 HZ PHE A 85 6.130 2.857 -7.507 1.00 74.23 H new ATOM 1441 N ALA A 86 -0.306 2.487 -5.091 1.00 53.24 N ATOM 1442 CA ALA A 86 -0.804 1.349 -5.893 1.00 10.45 C ATOM 1443 C ALA A 86 -1.577 1.786 -7.156 1.00 3.43 C ATOM 1444 O ALA A 86 -1.277 1.332 -8.253 1.00 3.45 O ATOM 1445 CB ALA A 86 -1.693 0.447 -5.034 1.00 51.41 C ATOM 0 H ALA A 86 -0.589 2.444 -4.112 1.00 53.24 H new ATOM 0 HA ALA A 86 0.076 0.802 -6.231 1.00 10.45 H new ATOM 0 HB1 ALA A 86 -2.054 -0.387 -5.635 1.00 51.41 H new ATOM 0 HB2 ALA A 86 -1.117 0.065 -4.191 1.00 51.41 H new ATOM 0 HB3 ALA A 86 -2.542 1.020 -4.663 1.00 51.41 H new ATOM 1451 N GLU A 87 -2.548 2.699 -6.995 1.00 72.31 N ATOM 1452 CA GLU A 87 -3.398 3.166 -8.122 1.00 44.14 C ATOM 1453 C GLU A 87 -2.579 3.858 -9.254 1.00 65.25 C ATOM 1454 O GLU A 87 -3.042 3.961 -10.391 1.00 61.12 O ATOM 1455 CB GLU A 87 -4.520 4.095 -7.581 1.00 13.24 C ATOM 1456 CG GLU A 87 -4.018 5.345 -6.844 1.00 64.31 C ATOM 1457 CD GLU A 87 -5.142 6.224 -6.271 1.00 12.43 C ATOM 1458 OE1 GLU A 87 -5.927 5.729 -5.441 1.00 20.43 O ATOM 1459 OE2 GLU A 87 -5.256 7.410 -6.644 1.00 72.02 O ATOM 0 H GLU A 87 -2.770 3.133 -6.099 1.00 72.31 H new ATOM 0 HA GLU A 87 -3.851 2.287 -8.581 1.00 44.14 H new ATOM 0 HB2 GLU A 87 -5.147 4.409 -8.416 1.00 13.24 H new ATOM 0 HB3 GLU A 87 -5.154 3.521 -6.905 1.00 13.24 H new ATOM 0 HG2 GLU A 87 -3.361 5.036 -6.031 1.00 64.31 H new ATOM 0 HG3 GLU A 87 -3.417 5.942 -7.530 1.00 64.31 H new ATOM 1466 N TYR A 88 -1.335 4.278 -8.937 1.00 63.21 N ATOM 1467 CA TYR A 88 -0.395 4.899 -9.909 1.00 70.44 C ATOM 1468 C TYR A 88 0.483 3.830 -10.631 1.00 1.12 C ATOM 1469 O TYR A 88 1.450 4.169 -11.316 1.00 55.20 O ATOM 1470 CB TYR A 88 0.498 5.939 -9.170 1.00 44.20 C ATOM 1471 CG TYR A 88 -0.283 6.926 -8.277 1.00 61.23 C ATOM 1472 CD1 TYR A 88 -1.458 7.535 -8.732 1.00 62.40 C ATOM 1473 CD2 TYR A 88 0.121 7.217 -6.967 1.00 30.43 C ATOM 1474 CE1 TYR A 88 -2.179 8.389 -7.925 1.00 21.23 C ATOM 1475 CE2 TYR A 88 -0.607 8.070 -6.162 1.00 33.33 C ATOM 1476 CZ TYR A 88 -1.758 8.644 -6.642 1.00 33.12 C ATOM 1477 OH TYR A 88 -2.498 9.482 -5.831 1.00 42.40 O ATOM 0 H TYR A 88 -0.948 4.198 -7.997 1.00 63.21 H new ATOM 0 HA TYR A 88 -0.979 5.402 -10.679 1.00 70.44 H new ATOM 0 HB2 TYR A 88 1.223 5.406 -8.555 1.00 44.20 H new ATOM 0 HB3 TYR A 88 1.063 6.506 -9.910 1.00 44.20 H new ATOM 0 HD1 TYR A 88 -1.806 7.332 -9.734 1.00 62.40 H new ATOM 0 HD2 TYR A 88 1.021 6.764 -6.579 1.00 30.43 H new ATOM 0 HE1 TYR A 88 -3.076 8.858 -8.302 1.00 21.23 H new ATOM 0 HE2 TYR A 88 -0.272 8.285 -5.158 1.00 33.33 H new ATOM 0 HH TYR A 88 -3.444 9.426 -6.080 1.00 42.40 H new ATOM 1487 N ASN A 89 0.121 2.542 -10.467 1.00 44.32 N ATOM 1488 CA ASN A 89 0.802 1.376 -11.099 1.00 30.52 C ATOM 1489 C ASN A 89 -0.251 0.416 -11.716 1.00 44.02 C ATOM 1490 O ASN A 89 -1.378 0.334 -11.225 1.00 61.33 O ATOM 1491 CB ASN A 89 1.649 0.597 -10.052 1.00 45.24 C ATOM 1492 CG ASN A 89 2.730 1.441 -9.379 1.00 60.25 C ATOM 1493 OD1 ASN A 89 3.868 1.502 -9.824 1.00 54.34 O ATOM 1494 ND2 ASN A 89 2.376 2.108 -8.308 1.00 35.52 N ATOM 0 H ASN A 89 -0.668 2.269 -9.881 1.00 44.32 H new ATOM 0 HA ASN A 89 1.462 1.752 -11.881 1.00 30.52 H new ATOM 0 HB2 ASN A 89 0.984 0.198 -9.286 1.00 45.24 H new ATOM 0 HB3 ASN A 89 2.120 -0.256 -10.542 1.00 45.24 H new ATOM 0 HD21 ASN A 89 3.056 2.695 -7.825 1.00 35.52 H new ATOM 0 HD22 ASN A 89 1.421 2.040 -7.957 1.00 35.52 H new ATOM 1501 N SER A 90 0.134 -0.312 -12.787 1.00 5.51 N ATOM 1502 CA SER A 90 -0.755 -1.300 -13.471 1.00 51.51 C ATOM 1503 C SER A 90 -0.641 -2.706 -12.843 1.00 73.20 C ATOM 1504 O SER A 90 -1.652 -3.326 -12.496 1.00 4.24 O ATOM 1505 CB SER A 90 -0.427 -1.379 -14.984 1.00 50.11 C ATOM 1506 OG SER A 90 -0.646 -0.130 -15.631 1.00 52.43 O ATOM 0 H SER A 90 1.061 -0.239 -13.206 1.00 5.51 H new ATOM 0 HA SER A 90 -1.779 -0.950 -13.341 1.00 51.51 H new ATOM 0 HB2 SER A 90 0.612 -1.682 -15.117 1.00 50.11 H new ATOM 0 HB3 SER A 90 -1.045 -2.146 -15.452 1.00 50.11 H new ATOM 0 HG SER A 90 -0.429 -0.212 -16.583 1.00 52.43 H new ATOM 1512 N ASP A 91 0.608 -3.189 -12.696 1.00 63.52 N ATOM 1513 CA ASP A 91 0.919 -4.554 -12.206 1.00 52.54 C ATOM 1514 C ASP A 91 0.869 -4.663 -10.660 1.00 65.11 C ATOM 1515 O ASP A 91 1.882 -4.917 -9.994 1.00 10.31 O ATOM 1516 CB ASP A 91 2.295 -5.002 -12.764 1.00 25.32 C ATOM 1517 CG ASP A 91 2.248 -5.280 -14.271 1.00 23.12 C ATOM 1518 OD1 ASP A 91 2.269 -4.321 -15.067 1.00 3.12 O ATOM 1519 OD2 ASP A 91 2.166 -6.467 -14.663 1.00 13.21 O ATOM 0 H ASP A 91 1.440 -2.641 -12.915 1.00 63.52 H new ATOM 0 HA ASP A 91 0.145 -5.227 -12.574 1.00 52.54 H new ATOM 0 HB2 ASP A 91 3.036 -4.228 -12.562 1.00 25.32 H new ATOM 0 HB3 ASP A 91 2.622 -5.901 -12.241 1.00 25.32 H new ATOM 1524 N LEU A 92 -0.342 -4.499 -10.109 1.00 44.01 N ATOM 1525 CA LEU A 92 -0.593 -4.606 -8.661 1.00 3.12 C ATOM 1526 C LEU A 92 -0.567 -6.062 -8.150 1.00 65.35 C ATOM 1527 O LEU A 92 -0.353 -6.294 -6.958 1.00 42.10 O ATOM 1528 CB LEU A 92 -1.900 -3.875 -8.292 1.00 40.40 C ATOM 1529 CG LEU A 92 -1.924 -2.356 -8.655 1.00 51.03 C ATOM 1530 CD1 LEU A 92 -3.195 -1.656 -8.132 1.00 63.53 C ATOM 1531 CD2 LEU A 92 -0.647 -1.656 -8.152 1.00 5.25 C ATOM 0 H LEU A 92 -1.178 -4.288 -10.654 1.00 44.01 H new ATOM 0 HA LEU A 92 0.231 -4.111 -8.147 1.00 3.12 H new ATOM 0 HB2 LEU A 92 -2.731 -4.368 -8.797 1.00 40.40 H new ATOM 0 HB3 LEU A 92 -2.069 -3.981 -7.220 1.00 40.40 H new ATOM 0 HG LEU A 92 -1.948 -2.278 -9.742 1.00 51.03 H new ATOM 0 HD11 LEU A 92 -3.169 -0.602 -8.407 1.00 63.53 H new ATOM 0 HD12 LEU A 92 -4.075 -2.124 -8.572 1.00 63.53 H new ATOM 0 HD13 LEU A 92 -3.240 -1.747 -7.047 1.00 63.53 H new ATOM 0 HD21 LEU A 92 -0.684 -0.599 -8.415 1.00 5.25 H new ATOM 0 HD22 LEU A 92 -0.579 -1.758 -7.069 1.00 5.25 H new ATOM 0 HD23 LEU A 92 0.226 -2.115 -8.616 1.00 5.25 H new ATOM 1543 N HIS A 93 -0.786 -7.041 -9.053 1.00 62.33 N ATOM 1544 CA HIS A 93 -0.499 -8.463 -8.754 1.00 1.01 C ATOM 1545 C HIS A 93 0.997 -8.709 -8.406 1.00 4.23 C ATOM 1546 O HIS A 93 1.291 -9.570 -7.594 1.00 65.15 O ATOM 1547 CB HIS A 93 -0.997 -9.412 -9.891 1.00 1.02 C ATOM 1548 CG HIS A 93 -0.576 -9.089 -11.313 1.00 14.22 C ATOM 1549 ND1 HIS A 93 -1.296 -9.521 -12.403 1.00 30.42 N ATOM 1550 CD2 HIS A 93 0.484 -8.417 -11.833 1.00 31.24 C ATOM 1551 CE1 HIS A 93 -0.711 -9.136 -13.511 1.00 74.33 C ATOM 1552 NE2 HIS A 93 0.369 -8.465 -13.195 1.00 63.11 N ATOM 0 H HIS A 93 -1.158 -6.877 -9.989 1.00 62.33 H new ATOM 0 HA HIS A 93 -1.069 -8.710 -7.858 1.00 1.01 H new ATOM 0 HB2 HIS A 93 -0.654 -10.421 -9.660 1.00 1.02 H new ATOM 0 HB3 HIS A 93 -2.086 -9.431 -9.860 1.00 1.02 H new ATOM 0 HD1 HIS A 93 -2.159 -10.062 -12.356 1.00 30.42 H new ATOM 0 HD2 HIS A 93 1.272 -7.934 -11.274 1.00 31.24 H new ATOM 0 HE1 HIS A 93 -1.060 -9.337 -14.513 1.00 74.33 H new ATOM 0 HE2 HIS A 93 1.020 -8.045 -13.859 1.00 63.11 H new ATOM 1561 N GLN A 94 1.924 -7.939 -9.013 1.00 3.24 N ATOM 1562 CA GLN A 94 3.378 -8.030 -8.704 1.00 70.22 C ATOM 1563 C GLN A 94 3.746 -7.119 -7.511 1.00 1.02 C ATOM 1564 O GLN A 94 4.602 -7.459 -6.686 1.00 53.30 O ATOM 1565 CB GLN A 94 4.232 -7.651 -9.953 1.00 51.55 C ATOM 1566 CG GLN A 94 4.080 -8.618 -11.149 1.00 55.13 C ATOM 1567 CD GLN A 94 5.050 -8.322 -12.304 1.00 12.14 C ATOM 1568 OE1 GLN A 94 4.628 -7.528 -13.262 1.00 32.13 O flip ATOM 1569 NE2 GLN A 94 6.165 -8.826 -12.338 1.00 22.21 N flip ATOM 0 H GLN A 94 1.696 -7.243 -9.723 1.00 3.24 H new ATOM 0 HA GLN A 94 3.598 -9.062 -8.431 1.00 70.22 H new ATOM 0 HB2 GLN A 94 3.955 -6.647 -10.276 1.00 51.55 H new ATOM 0 HB3 GLN A 94 5.282 -7.614 -9.662 1.00 51.55 H new ATOM 0 HG2 GLN A 94 4.240 -9.639 -10.803 1.00 55.13 H new ATOM 0 HG3 GLN A 94 3.057 -8.565 -11.521 1.00 55.13 H new ATOM 0 HE21 GLN A 94 6.471 -9.439 -11.583 1.00 22.21 H new ATOM 0 HE22 GLN A 94 6.788 -8.633 -13.122 1.00 22.21 H new ATOM 1578 N PHE A 95 3.078 -5.956 -7.452 1.00 4.32 N ATOM 1579 CA PHE A 95 3.289 -4.922 -6.419 1.00 61.02 C ATOM 1580 C PHE A 95 2.933 -5.417 -4.992 1.00 4.32 C ATOM 1581 O PHE A 95 3.813 -5.521 -4.129 1.00 70.41 O ATOM 1582 CB PHE A 95 2.451 -3.681 -6.807 1.00 70.14 C ATOM 1583 CG PHE A 95 2.385 -2.589 -5.753 1.00 25.45 C ATOM 1584 CD1 PHE A 95 3.489 -1.799 -5.482 1.00 10.44 C ATOM 1585 CD2 PHE A 95 1.212 -2.362 -5.029 1.00 70.35 C ATOM 1586 CE1 PHE A 95 3.423 -0.824 -4.530 1.00 73.14 C ATOM 1587 CE2 PHE A 95 1.154 -1.381 -4.077 1.00 25.22 C ATOM 1588 CZ PHE A 95 2.255 -0.611 -3.826 1.00 71.12 C ATOM 0 H PHE A 95 2.362 -5.701 -8.132 1.00 4.32 H new ATOM 0 HA PHE A 95 4.349 -4.670 -6.383 1.00 61.02 H new ATOM 0 HB2 PHE A 95 2.863 -3.256 -7.722 1.00 70.14 H new ATOM 0 HB3 PHE A 95 1.436 -4.005 -7.035 1.00 70.14 H new ATOM 0 HD1 PHE A 95 4.408 -1.955 -6.027 1.00 10.44 H new ATOM 0 HD2 PHE A 95 0.340 -2.969 -5.223 1.00 70.35 H new ATOM 0 HE1 PHE A 95 4.291 -0.214 -4.326 1.00 73.14 H new ATOM 0 HE2 PHE A 95 0.240 -1.215 -3.525 1.00 25.22 H new ATOM 0 HZ PHE A 95 2.211 0.165 -3.076 1.00 71.12 H new ATOM 1598 N PHE A 96 1.636 -5.721 -4.755 1.00 71.20 N ATOM 1599 CA PHE A 96 1.155 -6.189 -3.433 1.00 15.45 C ATOM 1600 C PHE A 96 1.741 -7.571 -3.051 1.00 35.40 C ATOM 1601 O PHE A 96 1.795 -7.912 -1.866 1.00 31.13 O ATOM 1602 CB PHE A 96 -0.380 -6.268 -3.402 1.00 35.11 C ATOM 1603 CG PHE A 96 -1.127 -4.937 -3.470 1.00 4.24 C ATOM 1604 CD1 PHE A 96 -1.104 -4.057 -2.390 1.00 64.34 C ATOM 1605 CD2 PHE A 96 -1.887 -4.585 -4.584 1.00 14.31 C ATOM 1606 CE1 PHE A 96 -1.808 -2.872 -2.429 1.00 11.14 C ATOM 1607 CE2 PHE A 96 -2.599 -3.405 -4.616 1.00 44.43 C ATOM 1608 CZ PHE A 96 -2.560 -2.549 -3.538 1.00 20.11 C ATOM 0 H PHE A 96 0.904 -5.651 -5.461 1.00 71.20 H new ATOM 0 HA PHE A 96 1.500 -5.456 -2.704 1.00 15.45 H new ATOM 0 HB2 PHE A 96 -0.708 -6.887 -4.237 1.00 35.11 H new ATOM 0 HB3 PHE A 96 -0.678 -6.781 -2.488 1.00 35.11 H new ATOM 0 HD1 PHE A 96 -0.528 -4.306 -1.511 1.00 64.34 H new ATOM 0 HD2 PHE A 96 -1.919 -5.248 -5.436 1.00 14.31 H new ATOM 0 HE1 PHE A 96 -1.770 -2.195 -1.588 1.00 11.14 H new ATOM 0 HE2 PHE A 96 -3.187 -3.152 -5.486 1.00 44.43 H new ATOM 0 HZ PHE A 96 -3.118 -1.625 -3.562 1.00 20.11 H new ATOM 1618 N GLU A 97 2.143 -8.363 -4.070 1.00 13.01 N ATOM 1619 CA GLU A 97 2.860 -9.635 -3.861 1.00 0.44 C ATOM 1620 C GLU A 97 4.211 -9.381 -3.176 1.00 51.44 C ATOM 1621 O GLU A 97 4.497 -9.977 -2.148 1.00 20.52 O ATOM 1622 CB GLU A 97 3.070 -10.374 -5.205 1.00 0.20 C ATOM 1623 CG GLU A 97 3.756 -11.751 -5.083 1.00 64.32 C ATOM 1624 CD GLU A 97 4.018 -12.426 -6.439 1.00 32.44 C ATOM 1625 OE1 GLU A 97 5.030 -12.101 -7.086 1.00 24.35 O ATOM 1626 OE2 GLU A 97 3.216 -13.287 -6.863 1.00 32.22 O ATOM 0 H GLU A 97 1.980 -8.139 -5.052 1.00 13.01 H new ATOM 0 HA GLU A 97 2.252 -10.267 -3.213 1.00 0.44 H new ATOM 0 HB2 GLU A 97 2.101 -10.507 -5.686 1.00 0.20 H new ATOM 0 HB3 GLU A 97 3.668 -9.742 -5.862 1.00 0.20 H new ATOM 0 HG2 GLU A 97 4.703 -11.631 -4.556 1.00 64.32 H new ATOM 0 HG3 GLU A 97 3.133 -12.406 -4.474 1.00 64.32 H new ATOM 1633 N PHE A 98 5.006 -8.459 -3.756 1.00 22.43 N ATOM 1634 CA PHE A 98 6.316 -8.027 -3.217 1.00 74.10 C ATOM 1635 C PHE A 98 6.190 -7.495 -1.766 1.00 31.54 C ATOM 1636 O PHE A 98 7.021 -7.817 -0.897 1.00 73.21 O ATOM 1637 CB PHE A 98 6.932 -6.965 -4.190 1.00 14.00 C ATOM 1638 CG PHE A 98 7.789 -5.869 -3.547 1.00 14.51 C ATOM 1639 CD1 PHE A 98 9.102 -6.114 -3.134 1.00 21.34 C ATOM 1640 CD2 PHE A 98 7.263 -4.585 -3.345 1.00 13.15 C ATOM 1641 CE1 PHE A 98 9.854 -5.113 -2.549 1.00 60.45 C ATOM 1642 CE2 PHE A 98 8.018 -3.591 -2.760 1.00 12.12 C ATOM 1643 CZ PHE A 98 9.311 -3.854 -2.362 1.00 21.35 C ATOM 0 H PHE A 98 4.755 -7.986 -4.624 1.00 22.43 H new ATOM 0 HA PHE A 98 6.988 -8.883 -3.159 1.00 74.10 H new ATOM 0 HB2 PHE A 98 7.542 -7.489 -4.926 1.00 14.00 H new ATOM 0 HB3 PHE A 98 6.117 -6.487 -4.734 1.00 14.00 H new ATOM 0 HD1 PHE A 98 9.533 -7.095 -3.273 1.00 21.34 H new ATOM 0 HD2 PHE A 98 6.250 -4.371 -3.653 1.00 13.15 H new ATOM 0 HE1 PHE A 98 10.868 -5.314 -2.237 1.00 60.45 H new ATOM 0 HE2 PHE A 98 7.597 -2.607 -2.614 1.00 12.12 H new ATOM 0 HZ PHE A 98 9.902 -3.075 -1.903 1.00 21.35 H new ATOM 1653 N LEU A 99 5.141 -6.686 -1.526 1.00 4.01 N ATOM 1654 CA LEU A 99 4.815 -6.175 -0.184 1.00 22.15 C ATOM 1655 C LEU A 99 4.598 -7.343 0.807 1.00 21.34 C ATOM 1656 O LEU A 99 5.260 -7.416 1.841 1.00 71.55 O ATOM 1657 CB LEU A 99 3.559 -5.262 -0.247 1.00 70.30 C ATOM 1658 CG LEU A 99 3.694 -3.965 -1.108 1.00 24.42 C ATOM 1659 CD1 LEU A 99 2.377 -3.167 -1.123 1.00 64.03 C ATOM 1660 CD2 LEU A 99 4.878 -3.084 -0.635 1.00 53.23 C ATOM 0 H LEU A 99 4.500 -6.370 -2.254 1.00 4.01 H new ATOM 0 HA LEU A 99 5.655 -5.581 0.176 1.00 22.15 H new ATOM 0 HB2 LEU A 99 2.728 -5.849 -0.638 1.00 70.30 H new ATOM 0 HB3 LEU A 99 3.294 -4.973 0.770 1.00 70.30 H new ATOM 0 HG LEU A 99 3.909 -4.275 -2.131 1.00 24.42 H new ATOM 0 HD11 LEU A 99 2.502 -2.270 -1.730 1.00 64.03 H new ATOM 0 HD12 LEU A 99 1.583 -3.783 -1.545 1.00 64.03 H new ATOM 0 HD13 LEU A 99 2.113 -2.882 -0.105 1.00 64.03 H new ATOM 0 HD21 LEU A 99 4.939 -2.192 -1.258 1.00 53.23 H new ATOM 0 HD22 LEU A 99 4.722 -2.792 0.403 1.00 53.23 H new ATOM 0 HD23 LEU A 99 5.807 -3.648 -0.717 1.00 53.23 H new ATOM 1672 N TYR A 100 3.713 -8.285 0.427 1.00 24.55 N ATOM 1673 CA TYR A 100 3.396 -9.484 1.236 1.00 35.13 C ATOM 1674 C TYR A 100 4.663 -10.353 1.485 1.00 11.20 C ATOM 1675 O TYR A 100 4.855 -10.879 2.586 1.00 44.30 O ATOM 1676 CB TYR A 100 2.286 -10.317 0.533 1.00 32.42 C ATOM 1677 CG TYR A 100 1.759 -11.503 1.361 1.00 33.23 C ATOM 1678 CD1 TYR A 100 0.722 -11.339 2.287 1.00 70.43 C ATOM 1679 CD2 TYR A 100 2.310 -12.789 1.236 1.00 55.33 C ATOM 1680 CE1 TYR A 100 0.252 -12.405 3.036 1.00 62.41 C ATOM 1681 CE2 TYR A 100 1.839 -13.849 1.983 1.00 11.54 C ATOM 1682 CZ TYR A 100 0.816 -13.649 2.887 1.00 44.21 C ATOM 1683 OH TYR A 100 0.346 -14.709 3.633 1.00 10.30 O ATOM 0 H TYR A 100 3.195 -8.238 -0.451 1.00 24.55 H new ATOM 0 HA TYR A 100 3.031 -9.154 2.209 1.00 35.13 H new ATOM 0 HB2 TYR A 100 1.452 -9.658 0.293 1.00 32.42 H new ATOM 0 HB3 TYR A 100 2.676 -10.695 -0.412 1.00 32.42 H new ATOM 0 HD1 TYR A 100 0.280 -10.363 2.420 1.00 70.43 H new ATOM 0 HD2 TYR A 100 3.120 -12.952 0.540 1.00 55.33 H new ATOM 0 HE1 TYR A 100 -0.557 -12.259 3.736 1.00 62.41 H new ATOM 0 HE2 TYR A 100 2.270 -14.832 1.861 1.00 11.54 H new ATOM 0 HH TYR A 100 0.851 -15.518 3.407 1.00 10.30 H new ATOM 1693 N ASN A 101 5.530 -10.465 0.450 1.00 3.14 N ATOM 1694 CA ASN A 101 6.789 -11.247 0.510 1.00 74.11 C ATOM 1695 C ASN A 101 7.810 -10.608 1.480 1.00 5.44 C ATOM 1696 O ASN A 101 8.615 -11.319 2.098 1.00 3.02 O ATOM 1697 CB ASN A 101 7.435 -11.399 -0.895 1.00 74.53 C ATOM 1698 CG ASN A 101 6.573 -12.166 -1.903 1.00 21.04 C ATOM 1699 OD1 ASN A 101 6.751 -11.887 -3.182 1.00 11.33 O flip ATOM 1700 ND2 ASN A 101 5.758 -13.005 -1.541 1.00 72.31 N flip ATOM 0 H ASN A 101 5.376 -10.015 -0.452 1.00 3.14 H new ATOM 0 HA ASN A 101 6.522 -12.236 0.883 1.00 74.11 H new ATOM 0 HB2 ASN A 101 7.646 -10.407 -1.295 1.00 74.53 H new ATOM 0 HB3 ASN A 101 8.392 -11.910 -0.789 1.00 74.53 H new ATOM 0 HD21 ASN A 101 5.638 -13.204 -0.548 1.00 72.31 H new ATOM 0 HD22 ASN A 101 5.199 -13.505 -2.233 1.00 72.31 H new ATOM 1707 N HIS A 102 7.779 -9.263 1.602 1.00 40.41 N ATOM 1708 CA HIS A 102 8.670 -8.527 2.534 1.00 13.54 C ATOM 1709 C HIS A 102 8.053 -8.416 3.960 1.00 34.31 C ATOM 1710 O HIS A 102 8.756 -8.082 4.915 1.00 33.10 O ATOM 1711 CB HIS A 102 9.017 -7.115 1.976 1.00 33.04 C ATOM 1712 CG HIS A 102 10.233 -6.507 2.634 1.00 0.04 C ATOM 1713 ND1 HIS A 102 10.204 -5.980 3.905 1.00 22.42 N ATOM 1714 CD2 HIS A 102 11.533 -6.464 2.251 1.00 70.23 C ATOM 1715 CE1 HIS A 102 11.416 -5.653 4.277 1.00 65.05 C ATOM 1716 NE2 HIS A 102 12.242 -5.930 3.297 1.00 22.33 N ATOM 0 H HIS A 102 7.149 -8.663 1.069 1.00 40.41 H new ATOM 0 HA HIS A 102 9.592 -9.102 2.618 1.00 13.54 H new ATOM 0 HB2 HIS A 102 9.188 -7.186 0.902 1.00 33.04 H new ATOM 0 HB3 HIS A 102 8.163 -6.453 2.119 1.00 33.04 H new ATOM 0 HD2 HIS A 102 11.934 -6.789 1.302 1.00 70.23 H new ATOM 0 HE1 HIS A 102 11.690 -5.227 5.231 1.00 65.05 H new ATOM 0 HE2 HIS A 102 13.250 -5.774 3.310 1.00 22.33 H new ATOM 1725 N GLY A 103 6.758 -8.727 4.107 1.00 53.13 N ATOM 1726 CA GLY A 103 6.053 -8.576 5.395 1.00 44.24 C ATOM 1727 C GLY A 103 5.210 -7.301 5.510 1.00 63.33 C ATOM 1728 O GLY A 103 4.595 -7.058 6.556 1.00 51.34 O ATOM 0 H GLY A 103 6.174 -9.085 3.352 1.00 53.13 H new ATOM 0 HA2 GLY A 103 5.405 -9.440 5.544 1.00 44.24 H new ATOM 0 HA3 GLY A 103 6.787 -8.585 6.200 1.00 44.24 H new ATOM 1732 N ILE A 104 5.180 -6.487 4.443 1.00 0.21 N ATOM 1733 CA ILE A 104 4.364 -5.258 4.389 1.00 13.44 C ATOM 1734 C ILE A 104 2.857 -5.623 4.225 1.00 41.23 C ATOM 1735 O ILE A 104 2.463 -6.216 3.214 1.00 4.13 O ATOM 1736 CB ILE A 104 4.790 -4.301 3.197 1.00 4.33 C ATOM 1737 CG1 ILE A 104 6.351 -4.138 3.075 1.00 42.13 C ATOM 1738 CG2 ILE A 104 4.092 -2.920 3.314 1.00 22.42 C ATOM 1739 CD1 ILE A 104 7.065 -3.676 4.330 1.00 4.13 C ATOM 0 H ILE A 104 5.718 -6.659 3.594 1.00 0.21 H new ATOM 0 HA ILE A 104 4.530 -4.728 5.327 1.00 13.44 H new ATOM 0 HB ILE A 104 4.454 -4.780 2.277 1.00 4.33 H new ATOM 0 HG12 ILE A 104 6.775 -5.095 2.770 1.00 42.13 H new ATOM 0 HG13 ILE A 104 6.562 -3.427 2.277 1.00 42.13 H new ATOM 0 HG21 ILE A 104 4.402 -2.284 2.485 1.00 22.42 H new ATOM 0 HG22 ILE A 104 3.011 -3.055 3.283 1.00 22.42 H new ATOM 0 HG23 ILE A 104 4.372 -2.449 4.256 1.00 22.42 H new ATOM 0 HD11 ILE A 104 8.134 -3.598 4.133 1.00 4.13 H new ATOM 0 HD12 ILE A 104 6.679 -2.702 4.630 1.00 4.13 H new ATOM 0 HD13 ILE A 104 6.895 -4.396 5.131 1.00 4.13 H new ATOM 1751 N GLY A 105 2.047 -5.277 5.236 1.00 52.45 N ATOM 1752 CA GLY A 105 0.591 -5.454 5.207 1.00 3.31 C ATOM 1753 C GLY A 105 0.080 -6.824 5.659 1.00 45.35 C ATOM 1754 O GLY A 105 -1.094 -7.131 5.437 1.00 52.31 O ATOM 0 H GLY A 105 2.389 -4.863 6.103 1.00 52.45 H new ATOM 0 HA2 GLY A 105 0.138 -4.691 5.840 1.00 3.31 H new ATOM 0 HA3 GLY A 105 0.242 -5.274 4.190 1.00 3.31 H new ATOM 1758 N THR A 106 0.933 -7.638 6.311 1.00 3.40 N ATOM 1759 CA THR A 106 0.564 -9.015 6.739 1.00 75.44 C ATOM 1760 C THR A 106 -0.506 -9.039 7.868 1.00 44.35 C ATOM 1761 O THR A 106 -1.392 -9.900 7.876 1.00 5.44 O ATOM 1762 CB THR A 106 1.819 -9.823 7.192 1.00 73.33 C ATOM 1763 OG1 THR A 106 2.523 -9.105 8.223 1.00 15.44 O ATOM 1764 CG2 THR A 106 2.770 -10.108 6.012 1.00 24.33 C ATOM 0 H THR A 106 1.886 -7.371 6.556 1.00 3.40 H new ATOM 0 HA THR A 106 0.124 -9.487 5.861 1.00 75.44 H new ATOM 0 HB THR A 106 1.473 -10.780 7.583 1.00 73.33 H new ATOM 0 HG1 THR A 106 2.075 -8.250 8.390 1.00 15.44 H new ATOM 0 HG21 THR A 106 3.632 -10.672 6.368 1.00 24.33 H new ATOM 0 HG22 THR A 106 2.245 -10.688 5.253 1.00 24.33 H new ATOM 0 HG23 THR A 106 3.107 -9.166 5.580 1.00 24.33 H new ATOM 1772 N LEU A 107 -0.410 -8.102 8.829 1.00 1.21 N ATOM 1773 CA LEU A 107 -1.457 -7.900 9.873 1.00 12.34 C ATOM 1774 C LEU A 107 -2.343 -6.672 9.547 1.00 51.43 C ATOM 1775 O LEU A 107 -3.050 -6.154 10.419 1.00 4.41 O ATOM 1776 CB LEU A 107 -0.814 -7.766 11.283 1.00 65.32 C ATOM 1777 CG LEU A 107 -0.107 -9.039 11.849 1.00 55.04 C ATOM 1778 CD1 LEU A 107 0.557 -8.755 13.218 1.00 72.45 C ATOM 1779 CD2 LEU A 107 -1.097 -10.222 11.946 1.00 13.35 C ATOM 0 H LEU A 107 0.382 -7.465 8.912 1.00 1.21 H new ATOM 0 HA LEU A 107 -2.100 -8.780 9.877 1.00 12.34 H new ATOM 0 HB2 LEU A 107 -0.085 -6.957 11.250 1.00 65.32 H new ATOM 0 HB3 LEU A 107 -1.591 -7.466 11.986 1.00 65.32 H new ATOM 0 HG LEU A 107 0.684 -9.316 11.152 1.00 55.04 H new ATOM 0 HD11 LEU A 107 1.040 -9.661 13.583 1.00 72.45 H new ATOM 0 HD12 LEU A 107 1.302 -7.968 13.105 1.00 72.45 H new ATOM 0 HD13 LEU A 107 -0.203 -8.436 13.932 1.00 72.45 H new ATOM 0 HD21 LEU A 107 -0.581 -11.096 12.343 1.00 13.35 H new ATOM 0 HD22 LEU A 107 -1.920 -9.954 12.609 1.00 13.35 H new ATOM 0 HD23 LEU A 107 -1.489 -10.451 10.955 1.00 13.35 H new ATOM 1791 N SER A 108 -2.334 -6.247 8.271 1.00 21.35 N ATOM 1792 CA SER A 108 -3.157 -5.124 7.791 1.00 12.43 C ATOM 1793 C SER A 108 -4.167 -5.602 6.726 1.00 32.21 C ATOM 1794 O SER A 108 -3.786 -5.861 5.578 1.00 23.42 O ATOM 1795 CB SER A 108 -2.254 -4.012 7.210 1.00 51.23 C ATOM 1796 OG SER A 108 -1.303 -3.566 8.166 1.00 20.13 O ATOM 0 H SER A 108 -1.757 -6.672 7.545 1.00 21.35 H new ATOM 0 HA SER A 108 -3.715 -4.721 8.636 1.00 12.43 H new ATOM 0 HB2 SER A 108 -1.737 -4.386 6.326 1.00 51.23 H new ATOM 0 HB3 SER A 108 -2.870 -3.172 6.888 1.00 51.23 H new ATOM 0 HG SER A 108 -0.854 -2.762 7.830 1.00 20.13 H new ATOM 1802 N SER A 109 -5.455 -5.707 7.125 1.00 62.22 N ATOM 1803 CA SER A 109 -6.597 -6.011 6.209 1.00 31.41 C ATOM 1804 C SER A 109 -6.668 -5.098 4.942 1.00 34.34 C ATOM 1805 O SER A 109 -6.867 -5.638 3.844 1.00 22.55 O ATOM 1806 CB SER A 109 -7.932 -5.930 6.984 1.00 0.43 C ATOM 1807 OG SER A 109 -9.070 -6.083 6.146 1.00 71.15 O ATOM 0 H SER A 109 -5.741 -5.584 8.096 1.00 62.22 H new ATOM 0 HA SER A 109 -6.422 -7.023 5.843 1.00 31.41 H new ATOM 0 HB2 SER A 109 -7.947 -6.703 7.753 1.00 0.43 H new ATOM 0 HB3 SER A 109 -7.991 -4.970 7.496 1.00 0.43 H new ATOM 0 HG SER A 109 -9.836 -6.372 6.684 1.00 71.15 H new ATOM 1813 N PRO A 110 -6.502 -3.715 5.050 1.00 62.35 N ATOM 1814 CA PRO A 110 -6.526 -2.797 3.862 1.00 34.35 C ATOM 1815 C PRO A 110 -5.605 -3.224 2.677 1.00 42.23 C ATOM 1816 O PRO A 110 -5.901 -2.900 1.523 1.00 51.40 O ATOM 1817 CB PRO A 110 -6.080 -1.429 4.466 1.00 53.03 C ATOM 1818 CG PRO A 110 -5.507 -1.751 5.812 1.00 65.12 C ATOM 1819 CD PRO A 110 -6.308 -2.914 6.302 1.00 25.43 C ATOM 0 HA PRO A 110 -7.513 -2.788 3.399 1.00 34.35 H new ATOM 0 HB2 PRO A 110 -5.340 -0.943 3.831 1.00 53.03 H new ATOM 0 HB3 PRO A 110 -6.924 -0.745 4.553 1.00 53.03 H new ATOM 0 HG2 PRO A 110 -4.449 -2.002 5.741 1.00 65.12 H new ATOM 0 HG3 PRO A 110 -5.589 -0.901 6.490 1.00 65.12 H new ATOM 0 HD2 PRO A 110 -5.778 -3.479 7.069 1.00 25.43 H new ATOM 0 HD3 PRO A 110 -7.257 -2.600 6.736 1.00 25.43 H new ATOM 1827 N LEU A 111 -4.500 -3.954 2.969 1.00 41.42 N ATOM 1828 CA LEU A 111 -3.609 -4.514 1.923 1.00 12.11 C ATOM 1829 C LEU A 111 -4.365 -5.545 1.051 1.00 4.11 C ATOM 1830 O LEU A 111 -4.395 -5.442 -0.182 1.00 50.52 O ATOM 1831 CB LEU A 111 -2.371 -5.217 2.549 1.00 4.33 C ATOM 1832 CG LEU A 111 -1.280 -5.700 1.517 1.00 65.22 C ATOM 1833 CD1 LEU A 111 -0.288 -4.572 1.168 1.00 11.44 C ATOM 1834 CD2 LEU A 111 -0.553 -6.985 1.980 1.00 14.34 C ATOM 0 H LEU A 111 -4.205 -4.169 3.921 1.00 41.42 H new ATOM 0 HA LEU A 111 -3.278 -3.677 1.308 1.00 12.11 H new ATOM 0 HB2 LEU A 111 -1.902 -4.531 3.255 1.00 4.33 H new ATOM 0 HB3 LEU A 111 -2.713 -6.079 3.121 1.00 4.33 H new ATOM 0 HG LEU A 111 -1.811 -5.961 0.601 1.00 65.22 H new ATOM 0 HD11 LEU A 111 0.448 -4.943 0.455 1.00 11.44 H new ATOM 0 HD12 LEU A 111 -0.829 -3.734 0.728 1.00 11.44 H new ATOM 0 HD13 LEU A 111 0.219 -4.241 2.074 1.00 11.44 H new ATOM 0 HD21 LEU A 111 0.187 -7.274 1.233 1.00 14.34 H new ATOM 0 HD22 LEU A 111 -0.055 -6.798 2.931 1.00 14.34 H new ATOM 0 HD23 LEU A 111 -1.278 -7.790 2.102 1.00 14.34 H new ATOM 1846 N TYR A 112 -4.982 -6.529 1.733 1.00 42.11 N ATOM 1847 CA TYR A 112 -5.675 -7.668 1.094 1.00 32.00 C ATOM 1848 C TYR A 112 -6.944 -7.233 0.341 1.00 51.51 C ATOM 1849 O TYR A 112 -7.205 -7.711 -0.761 1.00 71.50 O ATOM 1850 CB TYR A 112 -6.046 -8.726 2.156 1.00 31.32 C ATOM 1851 CG TYR A 112 -4.846 -9.259 2.949 1.00 41.23 C ATOM 1852 CD1 TYR A 112 -4.060 -10.294 2.442 1.00 10.31 C ATOM 1853 CD2 TYR A 112 -4.504 -8.731 4.198 1.00 10.52 C ATOM 1854 CE1 TYR A 112 -2.987 -10.784 3.148 1.00 42.24 C ATOM 1855 CE2 TYR A 112 -3.427 -9.218 4.906 1.00 63.44 C ATOM 1856 CZ TYR A 112 -2.672 -10.246 4.378 1.00 1.35 C ATOM 1857 OH TYR A 112 -1.604 -10.741 5.080 1.00 22.40 O ATOM 0 H TYR A 112 -5.015 -6.557 2.752 1.00 42.11 H new ATOM 0 HA TYR A 112 -4.985 -8.094 0.365 1.00 32.00 H new ATOM 0 HB2 TYR A 112 -6.764 -8.292 2.851 1.00 31.32 H new ATOM 0 HB3 TYR A 112 -6.544 -9.562 1.664 1.00 31.32 H new ATOM 0 HD1 TYR A 112 -4.299 -10.718 1.478 1.00 10.31 H new ATOM 0 HD2 TYR A 112 -5.094 -7.928 4.615 1.00 10.52 H new ATOM 0 HE1 TYR A 112 -2.392 -11.588 2.740 1.00 42.24 H new ATOM 0 HE2 TYR A 112 -3.175 -8.798 5.868 1.00 63.44 H new ATOM 0 HH TYR A 112 -1.696 -10.504 6.026 1.00 22.40 H new ATOM 1867 N ILE A 113 -7.738 -6.342 0.967 1.00 40.02 N ATOM 1868 CA ILE A 113 -8.980 -5.803 0.360 1.00 5.03 C ATOM 1869 C ILE A 113 -8.667 -5.008 -0.941 1.00 72.53 C ATOM 1870 O ILE A 113 -9.380 -5.134 -1.946 1.00 72.32 O ATOM 1871 CB ILE A 113 -9.769 -4.890 1.383 1.00 43.01 C ATOM 1872 CG1 ILE A 113 -10.041 -5.639 2.734 1.00 53.52 C ATOM 1873 CG2 ILE A 113 -11.099 -4.373 0.774 1.00 11.12 C ATOM 1874 CD1 ILE A 113 -10.967 -6.842 2.646 1.00 53.45 C ATOM 0 H ILE A 113 -7.543 -5.976 1.899 1.00 40.02 H new ATOM 0 HA ILE A 113 -9.612 -6.653 0.102 1.00 5.03 H new ATOM 0 HB ILE A 113 -9.135 -4.029 1.595 1.00 43.01 H new ATOM 0 HG12 ILE A 113 -9.086 -5.968 3.145 1.00 53.52 H new ATOM 0 HG13 ILE A 113 -10.465 -4.928 3.443 1.00 53.52 H new ATOM 0 HG21 ILE A 113 -11.615 -3.749 1.504 1.00 11.12 H new ATOM 0 HG22 ILE A 113 -10.886 -3.786 -0.119 1.00 11.12 H new ATOM 0 HG23 ILE A 113 -11.731 -5.220 0.509 1.00 11.12 H new ATOM 0 HD11 ILE A 113 -11.085 -7.283 3.636 1.00 53.45 H new ATOM 0 HD12 ILE A 113 -11.940 -6.525 2.271 1.00 53.45 H new ATOM 0 HD13 ILE A 113 -10.540 -7.581 1.968 1.00 53.45 H new ATOM 1886 N ALA A 114 -7.580 -4.205 -0.906 1.00 34.53 N ATOM 1887 CA ALA A 114 -7.101 -3.435 -2.078 1.00 24.03 C ATOM 1888 C ALA A 114 -6.577 -4.350 -3.215 1.00 10.51 C ATOM 1889 O ALA A 114 -6.916 -4.145 -4.390 1.00 0.31 O ATOM 1890 CB ALA A 114 -6.010 -2.449 -1.643 1.00 23.03 C ATOM 0 H ALA A 114 -7.012 -4.072 -0.069 1.00 34.53 H new ATOM 0 HA ALA A 114 -7.954 -2.887 -2.479 1.00 24.03 H new ATOM 0 HB1 ALA A 114 -5.662 -1.886 -2.509 1.00 23.03 H new ATOM 0 HB2 ALA A 114 -6.416 -1.761 -0.902 1.00 23.03 H new ATOM 0 HB3 ALA A 114 -5.175 -2.999 -1.208 1.00 23.03 H new ATOM 1896 N TRP A 115 -5.748 -5.352 -2.849 1.00 31.44 N ATOM 1897 CA TRP A 115 -5.159 -6.314 -3.813 1.00 24.13 C ATOM 1898 C TRP A 115 -6.276 -7.128 -4.513 1.00 4.40 C ATOM 1899 O TRP A 115 -6.390 -7.117 -5.742 1.00 32.03 O ATOM 1900 CB TRP A 115 -4.146 -7.258 -3.083 1.00 51.40 C ATOM 1901 CG TRP A 115 -3.272 -8.133 -3.988 1.00 42.14 C ATOM 1902 CD1 TRP A 115 -3.175 -8.091 -5.356 1.00 64.40 C ATOM 1903 CD2 TRP A 115 -2.325 -9.140 -3.566 1.00 32.31 C ATOM 1904 NE1 TRP A 115 -2.296 -9.040 -5.801 1.00 74.35 N ATOM 1905 CE2 TRP A 115 -1.755 -9.691 -4.730 1.00 23.54 C ATOM 1906 CE3 TRP A 115 -1.921 -9.646 -2.319 1.00 41.41 C ATOM 1907 CZ2 TRP A 115 -0.805 -10.708 -4.690 1.00 12.01 C ATOM 1908 CZ3 TRP A 115 -0.977 -10.660 -2.281 1.00 71.23 C ATOM 1909 CH2 TRP A 115 -0.430 -11.184 -3.460 1.00 41.01 C ATOM 0 H TRP A 115 -5.468 -5.518 -1.882 1.00 31.44 H new ATOM 0 HA TRP A 115 -4.616 -5.760 -4.579 1.00 24.13 H new ATOM 0 HB2 TRP A 115 -3.492 -6.646 -2.462 1.00 51.40 H new ATOM 0 HB3 TRP A 115 -4.706 -7.909 -2.412 1.00 51.40 H new ATOM 0 HD1 TRP A 115 -3.716 -7.406 -5.992 1.00 64.40 H new ATOM 0 HE1 TRP A 115 -2.079 -9.231 -6.779 1.00 74.35 H new ATOM 0 HE3 TRP A 115 -2.339 -9.251 -1.405 1.00 41.41 H new ATOM 0 HZ2 TRP A 115 -0.378 -11.109 -5.597 1.00 12.01 H new ATOM 0 HZ3 TRP A 115 -0.658 -11.053 -1.327 1.00 71.23 H new ATOM 0 HH2 TRP A 115 0.300 -11.977 -3.399 1.00 41.01 H new ATOM 1920 N ALA A 116 -7.110 -7.793 -3.700 1.00 21.44 N ATOM 1921 CA ALA A 116 -8.248 -8.611 -4.170 1.00 32.30 C ATOM 1922 C ALA A 116 -9.250 -7.804 -5.024 1.00 12.14 C ATOM 1923 O ALA A 116 -9.732 -8.295 -6.057 1.00 33.50 O ATOM 1924 CB ALA A 116 -8.965 -9.231 -2.972 1.00 24.21 C ATOM 0 H ALA A 116 -7.016 -7.780 -2.684 1.00 21.44 H new ATOM 0 HA ALA A 116 -7.841 -9.393 -4.811 1.00 32.30 H new ATOM 0 HB1 ALA A 116 -9.803 -9.833 -3.322 1.00 24.21 H new ATOM 0 HB2 ALA A 116 -8.270 -9.863 -2.419 1.00 24.21 H new ATOM 0 HB3 ALA A 116 -9.334 -8.440 -2.319 1.00 24.21 H new ATOM 1930 N GLY A 117 -9.555 -6.567 -4.571 1.00 45.00 N ATOM 1931 CA GLY A 117 -10.439 -5.649 -5.302 1.00 70.35 C ATOM 1932 C GLY A 117 -9.932 -5.322 -6.711 1.00 21.10 C ATOM 1933 O GLY A 117 -10.714 -5.277 -7.672 1.00 24.34 O ATOM 0 H GLY A 117 -9.196 -6.185 -3.696 1.00 45.00 H new ATOM 0 HA2 GLY A 117 -11.433 -6.091 -5.373 1.00 70.35 H new ATOM 0 HA3 GLY A 117 -10.541 -4.724 -4.735 1.00 70.35 H new ATOM 1937 N HIS A 118 -8.605 -5.105 -6.827 1.00 71.35 N ATOM 1938 CA HIS A 118 -7.933 -4.873 -8.118 1.00 14.11 C ATOM 1939 C HIS A 118 -8.063 -6.097 -9.050 1.00 41.34 C ATOM 1940 O HIS A 118 -8.496 -5.963 -10.197 1.00 53.14 O ATOM 1941 CB HIS A 118 -6.432 -4.546 -7.894 1.00 4.52 C ATOM 1942 CG HIS A 118 -5.632 -4.396 -9.168 1.00 12.54 C ATOM 1943 ND1 HIS A 118 -5.612 -3.243 -9.915 1.00 45.11 N ATOM 1944 CD2 HIS A 118 -4.844 -5.277 -9.835 1.00 34.31 C ATOM 1945 CE1 HIS A 118 -4.856 -3.420 -10.974 1.00 52.44 C ATOM 1946 NE2 HIS A 118 -4.383 -4.640 -10.951 1.00 55.12 N ATOM 0 H HIS A 118 -7.972 -5.086 -6.028 1.00 71.35 H new ATOM 0 HA HIS A 118 -8.423 -4.024 -8.596 1.00 14.11 H new ATOM 0 HB2 HIS A 118 -6.355 -3.623 -7.319 1.00 4.52 H new ATOM 0 HB3 HIS A 118 -5.986 -5.336 -7.290 1.00 4.52 H new ATOM 0 HD2 HIS A 118 -4.623 -6.292 -9.538 1.00 34.31 H new ATOM 0 HE1 HIS A 118 -4.658 -2.682 -11.737 1.00 52.44 H new ATOM 0 HE2 HIS A 118 -3.768 -5.049 -11.654 1.00 55.12 H new ATOM 1955 N LEU A 119 -7.668 -7.280 -8.537 1.00 64.30 N ATOM 1956 CA LEU A 119 -7.587 -8.526 -9.337 1.00 1.32 C ATOM 1957 C LEU A 119 -8.972 -8.928 -9.909 1.00 55.24 C ATOM 1958 O LEU A 119 -9.072 -9.351 -11.065 1.00 65.12 O ATOM 1959 CB LEU A 119 -7.010 -9.675 -8.477 1.00 3.10 C ATOM 1960 CG LEU A 119 -5.623 -9.429 -7.818 1.00 21.25 C ATOM 1961 CD1 LEU A 119 -5.257 -10.562 -6.839 1.00 40.44 C ATOM 1962 CD2 LEU A 119 -4.529 -9.234 -8.882 1.00 64.11 C ATOM 0 H LEU A 119 -7.397 -7.402 -7.561 1.00 64.30 H new ATOM 0 HA LEU A 119 -6.921 -8.339 -10.179 1.00 1.32 H new ATOM 0 HB2 LEU A 119 -7.726 -9.901 -7.687 1.00 3.10 H new ATOM 0 HB3 LEU A 119 -6.936 -10.564 -9.103 1.00 3.10 H new ATOM 0 HG LEU A 119 -5.691 -8.507 -7.240 1.00 21.25 H new ATOM 0 HD11 LEU A 119 -4.282 -10.359 -6.396 1.00 40.44 H new ATOM 0 HD12 LEU A 119 -6.009 -10.619 -6.052 1.00 40.44 H new ATOM 0 HD13 LEU A 119 -5.221 -11.510 -7.376 1.00 40.44 H new ATOM 0 HD21 LEU A 119 -3.571 -9.064 -8.391 1.00 64.11 H new ATOM 0 HD22 LEU A 119 -4.465 -10.126 -9.505 1.00 64.11 H new ATOM 0 HD23 LEU A 119 -4.776 -8.374 -9.504 1.00 64.11 H new ATOM 1974 N GLU A 120 -10.029 -8.766 -9.084 1.00 2.15 N ATOM 1975 CA GLU A 120 -11.443 -8.952 -9.503 1.00 24.00 C ATOM 1976 C GLU A 120 -11.780 -8.129 -10.767 1.00 73.53 C ATOM 1977 O GLU A 120 -12.320 -8.662 -11.744 1.00 64.44 O ATOM 1978 CB GLU A 120 -12.384 -8.544 -8.345 1.00 61.31 C ATOM 1979 CG GLU A 120 -13.886 -8.523 -8.708 1.00 1.53 C ATOM 1980 CD GLU A 120 -14.799 -8.255 -7.505 1.00 44.31 C ATOM 1981 OE1 GLU A 120 -14.816 -7.112 -6.996 1.00 35.25 O ATOM 1982 OE2 GLU A 120 -15.516 -9.179 -7.073 1.00 11.41 O ATOM 0 H GLU A 120 -9.929 -8.501 -8.104 1.00 2.15 H new ATOM 0 HA GLU A 120 -11.586 -10.005 -9.746 1.00 24.00 H new ATOM 0 HB2 GLU A 120 -12.235 -9.234 -7.514 1.00 61.31 H new ATOM 0 HB3 GLU A 120 -12.096 -7.554 -7.993 1.00 61.31 H new ATOM 0 HG2 GLU A 120 -14.059 -7.757 -9.464 1.00 1.53 H new ATOM 0 HG3 GLU A 120 -14.158 -9.479 -9.155 1.00 1.53 H new ATOM 1989 N ALA A 121 -11.406 -6.833 -10.743 1.00 63.40 N ATOM 1990 CA ALA A 121 -11.644 -5.891 -11.859 1.00 14.23 C ATOM 1991 C ALA A 121 -10.823 -6.249 -13.128 1.00 14.04 C ATOM 1992 O ALA A 121 -11.099 -5.734 -14.213 1.00 60.40 O ATOM 1993 CB ALA A 121 -11.341 -4.457 -11.395 1.00 5.22 C ATOM 0 H ALA A 121 -10.929 -6.408 -9.948 1.00 63.40 H new ATOM 0 HA ALA A 121 -12.694 -5.969 -12.142 1.00 14.23 H new ATOM 0 HB1 ALA A 121 -11.517 -3.764 -12.218 1.00 5.22 H new ATOM 0 HB2 ALA A 121 -11.991 -4.200 -10.559 1.00 5.22 H new ATOM 0 HB3 ALA A 121 -10.300 -4.389 -11.079 1.00 5.22 H new ATOM 1999 N GLN A 122 -9.811 -7.129 -12.974 1.00 54.15 N ATOM 2000 CA GLN A 122 -8.975 -7.615 -14.101 1.00 42.33 C ATOM 2001 C GLN A 122 -9.400 -9.032 -14.564 1.00 32.42 C ATOM 2002 O GLN A 122 -9.069 -9.445 -15.679 1.00 31.51 O ATOM 2003 CB GLN A 122 -7.477 -7.600 -13.694 1.00 14.13 C ATOM 2004 CG GLN A 122 -7.005 -6.264 -13.078 1.00 53.41 C ATOM 2005 CD GLN A 122 -7.250 -5.035 -13.963 1.00 32.15 C ATOM 2006 OE1 GLN A 122 -7.189 -5.099 -15.184 1.00 35.40 O ATOM 2007 NE2 GLN A 122 -7.554 -3.915 -13.346 1.00 54.31 N ATOM 0 H GLN A 122 -9.548 -7.523 -12.071 1.00 54.15 H new ATOM 0 HA GLN A 122 -9.124 -6.941 -14.945 1.00 42.33 H new ATOM 0 HB2 GLN A 122 -7.298 -8.402 -12.977 1.00 14.13 H new ATOM 0 HB3 GLN A 122 -6.870 -7.817 -14.573 1.00 14.13 H new ATOM 0 HG2 GLN A 122 -7.514 -6.118 -12.125 1.00 53.41 H new ATOM 0 HG3 GLN A 122 -5.939 -6.334 -12.862 1.00 53.41 H new ATOM 0 HE21 GLN A 122 -7.598 -3.890 -12.327 1.00 54.31 H new ATOM 0 HE22 GLN A 122 -7.746 -3.071 -13.886 1.00 54.31 H new ATOM 2016 N GLY A 123 -10.132 -9.773 -13.699 1.00 14.32 N ATOM 2017 CA GLY A 123 -10.618 -11.135 -14.022 1.00 33.40 C ATOM 2018 C GLY A 123 -10.005 -12.228 -13.141 1.00 25.31 C ATOM 2019 O GLY A 123 -10.418 -13.390 -13.205 1.00 63.32 O ATOM 0 H GLY A 123 -10.399 -9.449 -12.770 1.00 14.32 H new ATOM 0 HA2 GLY A 123 -11.703 -11.160 -13.916 1.00 33.40 H new ATOM 0 HA3 GLY A 123 -10.395 -11.354 -15.066 1.00 33.40 H new ATOM 2023 N GLU A 124 -9.026 -11.834 -12.312 1.00 43.41 N ATOM 2024 CA GLU A 124 -8.314 -12.730 -11.371 1.00 62.21 C ATOM 2025 C GLU A 124 -9.105 -12.937 -10.046 1.00 23.10 C ATOM 2026 O GLU A 124 -8.573 -12.717 -8.957 1.00 3.01 O ATOM 2027 CB GLU A 124 -6.899 -12.163 -11.075 1.00 64.14 C ATOM 2028 CG GLU A 124 -5.952 -12.104 -12.276 1.00 20.23 C ATOM 2029 CD GLU A 124 -4.551 -11.558 -11.933 1.00 44.20 C ATOM 2030 OE1 GLU A 124 -3.880 -12.126 -11.044 1.00 34.12 O ATOM 2031 OE2 GLU A 124 -4.108 -10.574 -12.554 1.00 14.31 O ATOM 0 H GLU A 124 -8.697 -10.869 -12.272 1.00 43.41 H new ATOM 0 HA GLU A 124 -8.224 -13.707 -11.846 1.00 62.21 H new ATOM 0 HB2 GLU A 124 -7.007 -11.157 -10.669 1.00 64.14 H new ATOM 0 HB3 GLU A 124 -6.437 -12.773 -10.299 1.00 64.14 H new ATOM 0 HG2 GLU A 124 -5.850 -13.104 -12.697 1.00 20.23 H new ATOM 0 HG3 GLU A 124 -6.398 -11.477 -13.049 1.00 20.23 H new ATOM 2038 N LEU A 125 -10.365 -13.391 -10.160 1.00 53.41 N ATOM 2039 CA LEU A 125 -11.241 -13.719 -9.007 1.00 53.40 C ATOM 2040 C LEU A 125 -10.663 -14.861 -8.124 1.00 63.23 C ATOM 2041 O LEU A 125 -10.794 -14.824 -6.905 1.00 15.40 O ATOM 2042 CB LEU A 125 -12.656 -14.092 -9.534 1.00 63.44 C ATOM 2043 CG LEU A 125 -13.555 -12.892 -9.997 1.00 33.31 C ATOM 2044 CD1 LEU A 125 -14.650 -13.345 -10.980 1.00 21.12 C ATOM 2045 CD2 LEU A 125 -14.182 -12.178 -8.778 1.00 53.34 C ATOM 0 H LEU A 125 -10.815 -13.544 -11.063 1.00 53.41 H new ATOM 0 HA LEU A 125 -11.302 -12.839 -8.367 1.00 53.40 H new ATOM 0 HB2 LEU A 125 -12.540 -14.779 -10.373 1.00 63.44 H new ATOM 0 HB3 LEU A 125 -13.183 -14.634 -8.749 1.00 63.44 H new ATOM 0 HG LEU A 125 -12.912 -12.186 -10.523 1.00 33.31 H new ATOM 0 HD11 LEU A 125 -15.251 -12.485 -11.277 1.00 21.12 H new ATOM 0 HD12 LEU A 125 -14.187 -13.786 -11.863 1.00 21.12 H new ATOM 0 HD13 LEU A 125 -15.289 -14.085 -10.497 1.00 21.12 H new ATOM 0 HD21 LEU A 125 -14.801 -11.349 -9.121 1.00 53.34 H new ATOM 0 HD22 LEU A 125 -14.797 -12.884 -8.219 1.00 53.34 H new ATOM 0 HD23 LEU A 125 -13.390 -11.797 -8.133 1.00 53.34 H new ATOM 2057 N GLN A 126 -10.020 -15.866 -8.751 1.00 0.25 N ATOM 2058 CA GLN A 126 -9.445 -17.029 -8.026 1.00 54.30 C ATOM 2059 C GLN A 126 -8.145 -16.661 -7.274 1.00 30.30 C ATOM 2060 O GLN A 126 -7.863 -17.204 -6.203 1.00 42.34 O ATOM 2061 CB GLN A 126 -9.188 -18.207 -9.000 1.00 40.44 C ATOM 2062 CG GLN A 126 -10.425 -18.659 -9.809 1.00 72.34 C ATOM 2063 CD GLN A 126 -11.652 -18.964 -8.939 1.00 60.25 C ATOM 2064 OE1 GLN A 126 -12.509 -17.986 -8.728 1.00 41.20 O flip ATOM 2065 NE2 GLN A 126 -11.839 -20.076 -8.478 1.00 44.31 N flip ATOM 0 H GLN A 126 -9.883 -15.900 -9.761 1.00 0.25 H new ATOM 0 HA GLN A 126 -10.178 -17.337 -7.281 1.00 54.30 H new ATOM 0 HB2 GLN A 126 -8.401 -17.919 -9.697 1.00 40.44 H new ATOM 0 HB3 GLN A 126 -8.814 -19.057 -8.430 1.00 40.44 H new ATOM 0 HG2 GLN A 126 -10.684 -17.880 -10.526 1.00 72.34 H new ATOM 0 HG3 GLN A 126 -10.167 -19.549 -10.383 1.00 72.34 H new ATOM 0 HE21 GLN A 126 -11.164 -20.821 -8.652 1.00 44.31 H new ATOM 0 HE22 GLN A 126 -12.671 -20.263 -7.918 1.00 44.31 H new ATOM 2074 N HIS A 127 -7.357 -15.741 -7.859 1.00 62.04 N ATOM 2075 CA HIS A 127 -6.140 -15.205 -7.217 1.00 25.52 C ATOM 2076 C HIS A 127 -6.517 -14.254 -6.052 1.00 12.44 C ATOM 2077 O HIS A 127 -5.919 -14.298 -4.982 1.00 54.14 O ATOM 2078 CB HIS A 127 -5.266 -14.474 -8.276 1.00 73.11 C ATOM 2079 CG HIS A 127 -3.935 -13.970 -7.765 1.00 53.40 C ATOM 2080 ND1 HIS A 127 -3.321 -12.832 -8.241 1.00 41.50 N ATOM 2081 CD2 HIS A 127 -3.098 -14.461 -6.819 1.00 21.11 C ATOM 2082 CE1 HIS A 127 -2.183 -12.648 -7.610 1.00 34.34 C ATOM 2083 NE2 HIS A 127 -2.026 -13.621 -6.746 1.00 51.44 N ATOM 0 H HIS A 127 -7.542 -15.350 -8.783 1.00 62.04 H new ATOM 0 HA HIS A 127 -5.561 -16.029 -6.800 1.00 25.52 H new ATOM 0 HB2 HIS A 127 -5.085 -15.154 -9.108 1.00 73.11 H new ATOM 0 HB3 HIS A 127 -5.830 -13.629 -8.671 1.00 73.11 H new ATOM 0 HD1 HIS A 127 -3.693 -12.225 -8.972 1.00 41.50 H new ATOM 0 HD2 HIS A 127 -3.252 -15.354 -6.231 1.00 21.11 H new ATOM 0 HE1 HIS A 127 -1.494 -11.833 -7.775 1.00 34.34 H new ATOM 2092 N ALA A 128 -7.523 -13.411 -6.296 1.00 52.22 N ATOM 2093 CA ALA A 128 -8.039 -12.417 -5.332 1.00 75.11 C ATOM 2094 C ALA A 128 -8.678 -13.049 -4.076 1.00 15.54 C ATOM 2095 O ALA A 128 -8.496 -12.566 -2.955 1.00 52.21 O ATOM 2096 CB ALA A 128 -9.052 -11.549 -6.053 1.00 4.24 C ATOM 0 H ALA A 128 -8.018 -13.394 -7.188 1.00 52.22 H new ATOM 0 HA ALA A 128 -7.195 -11.830 -4.970 1.00 75.11 H new ATOM 0 HB1 ALA A 128 -9.450 -10.805 -5.363 1.00 4.24 H new ATOM 0 HB2 ALA A 128 -8.569 -11.046 -6.891 1.00 4.24 H new ATOM 0 HB3 ALA A 128 -9.866 -12.172 -6.424 1.00 4.24 H new ATOM 2102 N SER A 129 -9.455 -14.112 -4.294 1.00 63.40 N ATOM 2103 CA SER A 129 -10.038 -14.926 -3.207 1.00 15.11 C ATOM 2104 C SER A 129 -8.933 -15.615 -2.377 1.00 20.04 C ATOM 2105 O SER A 129 -9.021 -15.696 -1.139 1.00 31.54 O ATOM 2106 CB SER A 129 -10.985 -15.970 -3.812 1.00 44.10 C ATOM 2107 OG SER A 129 -10.330 -16.799 -4.755 1.00 11.14 O ATOM 0 H SER A 129 -9.702 -14.439 -5.228 1.00 63.40 H new ATOM 0 HA SER A 129 -10.596 -14.273 -2.536 1.00 15.11 H new ATOM 0 HB2 SER A 129 -11.401 -16.586 -3.015 1.00 44.10 H new ATOM 0 HB3 SER A 129 -11.822 -15.464 -4.294 1.00 44.10 H new ATOM 0 HG SER A 129 -10.967 -17.451 -5.116 1.00 11.14 H new ATOM 2113 N ALA A 130 -7.881 -16.076 -3.088 1.00 24.32 N ATOM 2114 CA ALA A 130 -6.663 -16.647 -2.483 1.00 64.24 C ATOM 2115 C ALA A 130 -5.869 -15.601 -1.653 1.00 51.12 C ATOM 2116 O ALA A 130 -5.059 -15.972 -0.814 1.00 62.04 O ATOM 2117 CB ALA A 130 -5.777 -17.269 -3.573 1.00 63.33 C ATOM 0 H ALA A 130 -7.856 -16.061 -4.108 1.00 24.32 H new ATOM 0 HA ALA A 130 -6.974 -17.426 -1.787 1.00 64.24 H new ATOM 0 HB1 ALA A 130 -4.880 -17.688 -3.117 1.00 63.33 H new ATOM 0 HB2 ALA A 130 -6.328 -18.059 -4.083 1.00 63.33 H new ATOM 0 HB3 ALA A 130 -5.493 -16.502 -4.293 1.00 63.33 H new ATOM 2123 N VAL A 131 -6.109 -14.301 -1.911 1.00 31.30 N ATOM 2124 CA VAL A 131 -5.532 -13.181 -1.128 1.00 12.31 C ATOM 2125 C VAL A 131 -6.364 -12.895 0.154 1.00 3.11 C ATOM 2126 O VAL A 131 -5.803 -12.707 1.239 1.00 1.12 O ATOM 2127 CB VAL A 131 -5.437 -11.879 -2.017 1.00 44.23 C ATOM 2128 CG1 VAL A 131 -5.039 -10.629 -1.196 1.00 64.42 C ATOM 2129 CG2 VAL A 131 -4.465 -12.098 -3.205 1.00 53.21 C ATOM 0 H VAL A 131 -6.712 -13.992 -2.673 1.00 31.30 H new ATOM 0 HA VAL A 131 -4.529 -13.475 -0.819 1.00 12.31 H new ATOM 0 HB VAL A 131 -6.434 -11.688 -2.413 1.00 44.23 H new ATOM 0 HG11 VAL A 131 -4.988 -9.762 -1.855 1.00 64.42 H new ATOM 0 HG12 VAL A 131 -5.783 -10.451 -0.420 1.00 64.42 H new ATOM 0 HG13 VAL A 131 -4.065 -10.792 -0.734 1.00 64.42 H new ATOM 0 HG21 VAL A 131 -4.414 -11.190 -3.805 1.00 53.21 H new ATOM 0 HG22 VAL A 131 -3.472 -12.338 -2.824 1.00 53.21 H new ATOM 0 HG23 VAL A 131 -4.825 -12.921 -3.823 1.00 53.21 H new ATOM 2139 N LEU A 132 -7.701 -12.865 0.015 1.00 22.43 N ATOM 2140 CA LEU A 132 -8.626 -12.573 1.144 1.00 23.30 C ATOM 2141 C LEU A 132 -8.548 -13.654 2.241 1.00 22.23 C ATOM 2142 O LEU A 132 -8.564 -13.333 3.441 1.00 43.41 O ATOM 2143 CB LEU A 132 -10.087 -12.418 0.635 1.00 12.01 C ATOM 2144 CG LEU A 132 -10.372 -11.170 -0.253 1.00 64.04 C ATOM 2145 CD1 LEU A 132 -11.811 -11.185 -0.801 1.00 31.21 C ATOM 2146 CD2 LEU A 132 -10.082 -9.858 0.516 1.00 13.34 C ATOM 0 H LEU A 132 -8.175 -13.040 -0.871 1.00 22.43 H new ATOM 0 HA LEU A 132 -8.309 -11.629 1.587 1.00 23.30 H new ATOM 0 HB2 LEU A 132 -10.350 -13.311 0.067 1.00 12.01 H new ATOM 0 HB3 LEU A 132 -10.750 -12.383 1.499 1.00 12.01 H new ATOM 0 HG LEU A 132 -9.695 -11.214 -1.106 1.00 64.04 H new ATOM 0 HD11 LEU A 132 -11.975 -10.300 -1.416 1.00 31.21 H new ATOM 0 HD12 LEU A 132 -11.961 -12.080 -1.405 1.00 31.21 H new ATOM 0 HD13 LEU A 132 -12.517 -11.186 0.030 1.00 31.21 H new ATOM 0 HD21 LEU A 132 -10.290 -9.004 -0.129 1.00 13.34 H new ATOM 0 HD22 LEU A 132 -10.716 -9.807 1.401 1.00 13.34 H new ATOM 0 HD23 LEU A 132 -9.035 -9.837 0.819 1.00 13.34 H new ATOM 2158 N GLN A 133 -8.448 -14.935 1.818 1.00 13.11 N ATOM 2159 CA GLN A 133 -8.271 -16.069 2.755 1.00 43.54 C ATOM 2160 C GLN A 133 -6.944 -15.950 3.544 1.00 14.12 C ATOM 2161 O GLN A 133 -6.881 -16.366 4.707 1.00 2.44 O ATOM 2162 CB GLN A 133 -8.337 -17.437 2.023 1.00 20.14 C ATOM 2163 CG GLN A 133 -7.224 -17.667 0.986 1.00 32.34 C ATOM 2164 CD GLN A 133 -7.182 -19.091 0.431 1.00 51.04 C ATOM 2165 OE1 GLN A 133 -7.816 -19.400 -0.569 1.00 23.50 O ATOM 2166 NE2 GLN A 133 -6.435 -19.969 1.074 1.00 1.31 N ATOM 0 H GLN A 133 -8.487 -15.209 0.836 1.00 13.11 H new ATOM 0 HA GLN A 133 -9.099 -16.023 3.463 1.00 43.54 H new ATOM 0 HB2 GLN A 133 -8.293 -18.233 2.766 1.00 20.14 H new ATOM 0 HB3 GLN A 133 -9.302 -17.520 1.524 1.00 20.14 H new ATOM 0 HG2 GLN A 133 -7.360 -16.969 0.160 1.00 32.34 H new ATOM 0 HG3 GLN A 133 -6.262 -17.437 1.443 1.00 32.34 H new ATOM 0 HE21 GLN A 133 -5.916 -19.686 1.905 1.00 1.31 H new ATOM 0 HE22 GLN A 133 -6.376 -20.931 0.740 1.00 1.31 H new ATOM 2175 N ARG A 134 -5.888 -15.374 2.902 1.00 41.53 N ATOM 2176 CA ARG A 134 -4.594 -15.119 3.567 1.00 20.20 C ATOM 2177 C ARG A 134 -4.785 -14.219 4.788 1.00 31.13 C ATOM 2178 O ARG A 134 -4.426 -14.609 5.881 1.00 51.43 O ATOM 2179 CB ARG A 134 -3.555 -14.478 2.615 1.00 14.44 C ATOM 2180 CG ARG A 134 -3.068 -15.397 1.489 1.00 11.50 C ATOM 2181 CD ARG A 134 -2.042 -14.709 0.569 1.00 63.25 C ATOM 2182 NE ARG A 134 -1.427 -15.656 -0.368 1.00 31.34 N ATOM 2183 CZ ARG A 134 -0.344 -15.437 -1.080 1.00 45.02 C ATOM 2184 NH1 ARG A 134 0.232 -14.272 -1.091 1.00 3.42 N ATOM 2185 NH2 ARG A 134 0.142 -16.398 -1.799 1.00 71.24 N ATOM 0 H ARG A 134 -5.916 -15.081 1.925 1.00 41.53 H new ATOM 0 HA ARG A 134 -4.208 -16.090 3.879 1.00 20.20 H new ATOM 0 HB2 ARG A 134 -3.991 -13.583 2.172 1.00 14.44 H new ATOM 0 HB3 ARG A 134 -2.694 -14.156 3.201 1.00 14.44 H new ATOM 0 HG2 ARG A 134 -2.620 -16.291 1.922 1.00 11.50 H new ATOM 0 HG3 ARG A 134 -3.922 -15.723 0.896 1.00 11.50 H new ATOM 0 HD2 ARG A 134 -2.532 -13.912 0.010 1.00 63.25 H new ATOM 0 HD3 ARG A 134 -1.266 -14.242 1.176 1.00 63.25 H new ATOM 0 HE ARG A 134 -1.879 -16.564 -0.476 1.00 31.34 H new ATOM 0 HH11 ARG A 134 -0.156 -13.506 -0.540 1.00 3.42 H new ATOM 0 HH12 ARG A 134 1.072 -14.124 -1.651 1.00 3.42 H new ATOM 0 HH21 ARG A 134 -0.315 -17.310 -1.808 1.00 71.24 H new ATOM 0 HH22 ARG A 134 0.982 -16.243 -2.357 1.00 71.24 H new ATOM 2199 N GLY A 135 -5.382 -13.030 4.584 1.00 60.33 N ATOM 2200 CA GLY A 135 -5.605 -12.070 5.674 1.00 51.23 C ATOM 2201 C GLY A 135 -6.383 -12.639 6.867 1.00 63.33 C ATOM 2202 O GLY A 135 -6.068 -12.348 8.027 1.00 43.44 O ATOM 0 H GLY A 135 -5.717 -12.714 3.674 1.00 60.33 H new ATOM 0 HA2 GLY A 135 -4.639 -11.706 6.025 1.00 51.23 H new ATOM 0 HA3 GLY A 135 -6.146 -11.210 5.280 1.00 51.23 H new ATOM 2206 N ILE A 136 -7.400 -13.458 6.562 1.00 12.40 N ATOM 2207 CA ILE A 136 -8.216 -14.158 7.572 1.00 54.30 C ATOM 2208 C ILE A 136 -7.353 -15.101 8.446 1.00 45.44 C ATOM 2209 O ILE A 136 -7.326 -14.957 9.669 1.00 44.44 O ATOM 2210 CB ILE A 136 -9.373 -14.957 6.865 1.00 20.23 C ATOM 2211 CG1 ILE A 136 -10.347 -13.979 6.139 1.00 41.25 C ATOM 2212 CG2 ILE A 136 -10.141 -15.868 7.858 1.00 62.34 C ATOM 2213 CD1 ILE A 136 -11.402 -14.658 5.294 1.00 33.14 C ATOM 0 H ILE A 136 -7.683 -13.656 5.602 1.00 12.40 H new ATOM 0 HA ILE A 136 -8.653 -13.411 8.235 1.00 54.30 H new ATOM 0 HB ILE A 136 -8.915 -15.609 6.122 1.00 20.23 H new ATOM 0 HG12 ILE A 136 -10.842 -13.358 6.886 1.00 41.25 H new ATOM 0 HG13 ILE A 136 -9.765 -13.311 5.504 1.00 41.25 H new ATOM 0 HG21 ILE A 136 -10.930 -16.400 7.327 1.00 62.34 H new ATOM 0 HG22 ILE A 136 -9.451 -16.587 8.300 1.00 62.34 H new ATOM 0 HG23 ILE A 136 -10.582 -15.257 8.646 1.00 62.34 H new ATOM 0 HD11 ILE A 136 -12.035 -13.904 4.826 1.00 33.14 H new ATOM 0 HD12 ILE A 136 -10.920 -15.257 4.521 1.00 33.14 H new ATOM 0 HD13 ILE A 136 -12.013 -15.304 5.925 1.00 33.14 H new ATOM 2225 N GLN A 137 -6.621 -16.034 7.799 1.00 25.23 N ATOM 2226 CA GLN A 137 -5.774 -17.034 8.510 1.00 23.24 C ATOM 2227 C GLN A 137 -4.499 -16.389 9.130 1.00 2.14 C ATOM 2228 O GLN A 137 -3.921 -16.933 10.076 1.00 21.41 O ATOM 2229 CB GLN A 137 -5.399 -18.197 7.557 1.00 34.10 C ATOM 2230 CG GLN A 137 -4.525 -17.777 6.359 1.00 54.55 C ATOM 2231 CD GLN A 137 -4.330 -18.884 5.327 1.00 2.21 C ATOM 2232 OE1 GLN A 137 -3.411 -19.682 5.417 1.00 14.25 O ATOM 2233 NE2 GLN A 137 -5.189 -18.935 4.332 1.00 1.33 N ATOM 0 H GLN A 137 -6.596 -16.121 6.783 1.00 25.23 H new ATOM 0 HA GLN A 137 -6.361 -17.433 9.337 1.00 23.24 H new ATOM 0 HB2 GLN A 137 -4.871 -18.962 8.126 1.00 34.10 H new ATOM 0 HB3 GLN A 137 -6.315 -18.654 7.182 1.00 34.10 H new ATOM 0 HG2 GLN A 137 -4.980 -16.914 5.873 1.00 54.55 H new ATOM 0 HG3 GLN A 137 -3.549 -17.458 6.726 1.00 54.55 H new ATOM 0 HE21 GLN A 137 -5.949 -18.257 4.279 1.00 1.33 H new ATOM 0 HE22 GLN A 137 -5.095 -19.653 3.614 1.00 1.33 H new ATOM 2242 N ASN A 138 -4.083 -15.218 8.597 1.00 22.53 N ATOM 2243 CA ASN A 138 -2.964 -14.410 9.147 1.00 53.05 C ATOM 2244 C ASN A 138 -3.421 -13.577 10.368 1.00 55.42 C ATOM 2245 O ASN A 138 -2.587 -12.951 11.026 1.00 4.42 O ATOM 2246 CB ASN A 138 -2.378 -13.455 8.063 1.00 32.43 C ATOM 2247 CG ASN A 138 -1.671 -14.181 6.917 1.00 55.21 C ATOM 2248 OD1 ASN A 138 -1.143 -15.270 7.080 1.00 13.30 O ATOM 2249 ND2 ASN A 138 -1.642 -13.574 5.745 1.00 63.12 N ATOM 0 H ASN A 138 -4.513 -14.803 7.771 1.00 22.53 H new ATOM 0 HA ASN A 138 -2.190 -15.109 9.465 1.00 53.05 H new ATOM 0 HB2 ASN A 138 -3.185 -12.848 7.653 1.00 32.43 H new ATOM 0 HB3 ASN A 138 -1.674 -12.771 8.537 1.00 32.43 H new ATOM 0 HD21 ASN A 138 -1.172 -14.014 4.954 1.00 63.12 H new ATOM 0 HD22 ASN A 138 -2.089 -12.665 5.630 1.00 63.12 H new ATOM 2256 N GLN A 139 -4.753 -13.572 10.639 1.00 75.22 N ATOM 2257 CA GLN A 139 -5.375 -12.859 11.785 1.00 45.22 C ATOM 2258 C GLN A 139 -5.166 -11.321 11.666 1.00 51.11 C ATOM 2259 O GLN A 139 -4.765 -10.658 12.623 1.00 12.42 O ATOM 2260 CB GLN A 139 -4.839 -13.413 13.153 1.00 65.24 C ATOM 2261 CG GLN A 139 -4.903 -14.952 13.325 1.00 74.15 C ATOM 2262 CD GLN A 139 -6.326 -15.533 13.337 1.00 42.50 C ATOM 2263 OE1 GLN A 139 -6.947 -15.657 14.383 1.00 70.14 O ATOM 2264 NE2 GLN A 139 -6.841 -15.905 12.189 1.00 42.44 N ATOM 0 H GLN A 139 -5.432 -14.068 10.061 1.00 75.22 H new ATOM 0 HA GLN A 139 -6.449 -13.046 11.757 1.00 45.22 H new ATOM 0 HB2 GLN A 139 -3.803 -13.095 13.272 1.00 65.24 H new ATOM 0 HB3 GLN A 139 -5.409 -12.951 13.959 1.00 65.24 H new ATOM 0 HG2 GLN A 139 -4.340 -15.419 12.517 1.00 74.15 H new ATOM 0 HG3 GLN A 139 -4.406 -15.222 14.257 1.00 74.15 H new ATOM 0 HE21 GLN A 139 -6.305 -15.792 11.329 1.00 42.44 H new ATOM 0 HE22 GLN A 139 -7.778 -16.307 12.157 1.00 42.44 H new ATOM 2273 N ALA A 140 -5.461 -10.775 10.465 1.00 70.32 N ATOM 2274 CA ALA A 140 -5.170 -9.363 10.099 1.00 33.34 C ATOM 2275 C ALA A 140 -6.397 -8.442 10.294 1.00 45.33 C ATOM 2276 O ALA A 140 -7.408 -8.596 9.609 1.00 60.34 O ATOM 2277 CB ALA A 140 -4.696 -9.306 8.636 1.00 23.20 C ATOM 0 H ALA A 140 -5.910 -11.301 9.716 1.00 70.32 H new ATOM 0 HA ALA A 140 -4.387 -8.999 10.764 1.00 33.34 H new ATOM 0 HB1 ALA A 140 -4.481 -8.273 8.363 1.00 23.20 H new ATOM 0 HB2 ALA A 140 -3.793 -9.906 8.522 1.00 23.20 H new ATOM 0 HB3 ALA A 140 -5.477 -9.699 7.985 1.00 23.20 H new ATOM 2283 N GLU A 141 -6.281 -7.473 11.220 1.00 1.31 N ATOM 2284 CA GLU A 141 -7.380 -6.538 11.559 1.00 51.21 C ATOM 2285 C GLU A 141 -7.489 -5.347 10.554 1.00 64.43 C ATOM 2286 O GLU A 141 -6.466 -4.877 10.043 1.00 35.32 O ATOM 2287 CB GLU A 141 -7.218 -6.022 13.020 1.00 4.02 C ATOM 2288 CG GLU A 141 -7.725 -6.988 14.118 1.00 43.34 C ATOM 2289 CD GLU A 141 -6.962 -8.322 14.215 1.00 74.14 C ATOM 2290 OE1 GLU A 141 -5.952 -8.383 14.945 1.00 50.13 O ATOM 2291 OE2 GLU A 141 -7.370 -9.313 13.572 1.00 21.14 O ATOM 0 H GLU A 141 -5.428 -7.313 11.755 1.00 1.31 H new ATOM 0 HA GLU A 141 -8.314 -7.095 11.480 1.00 51.21 H new ATOM 0 HB2 GLU A 141 -6.163 -5.813 13.200 1.00 4.02 H new ATOM 0 HB3 GLU A 141 -7.751 -5.076 13.116 1.00 4.02 H new ATOM 0 HG2 GLU A 141 -7.665 -6.482 15.082 1.00 43.34 H new ATOM 0 HG3 GLU A 141 -8.778 -7.202 13.935 1.00 43.34 H new ATOM 2298 N PRO A 142 -8.747 -4.844 10.227 1.00 52.41 N ATOM 2299 CA PRO A 142 -10.058 -5.453 10.650 1.00 70.53 C ATOM 2300 C PRO A 142 -10.365 -6.837 9.972 1.00 72.50 C ATOM 2301 O PRO A 142 -10.635 -6.923 8.762 1.00 70.42 O ATOM 2302 CB PRO A 142 -11.093 -4.365 10.250 1.00 41.43 C ATOM 2303 CG PRO A 142 -10.441 -3.608 9.130 1.00 60.54 C ATOM 2304 CD PRO A 142 -8.964 -3.573 9.473 1.00 32.23 C ATOM 0 HA PRO A 142 -10.068 -5.698 11.712 1.00 70.53 H new ATOM 0 HB2 PRO A 142 -12.034 -4.813 9.930 1.00 41.43 H new ATOM 0 HB3 PRO A 142 -11.322 -3.709 11.090 1.00 41.43 H new ATOM 0 HG2 PRO A 142 -10.610 -4.100 8.172 1.00 60.54 H new ATOM 0 HG3 PRO A 142 -10.849 -2.601 9.047 1.00 60.54 H new ATOM 0 HD2 PRO A 142 -8.345 -3.528 8.577 1.00 32.23 H new ATOM 0 HD3 PRO A 142 -8.713 -2.701 10.077 1.00 32.23 H new ATOM 2312 N ARG A 143 -10.304 -7.912 10.791 1.00 63.10 N ATOM 2313 CA ARG A 143 -10.436 -9.316 10.337 1.00 53.44 C ATOM 2314 C ARG A 143 -11.882 -9.654 9.938 1.00 64.12 C ATOM 2315 O ARG A 143 -12.104 -10.322 8.935 1.00 42.41 O ATOM 2316 CB ARG A 143 -9.970 -10.271 11.463 1.00 44.31 C ATOM 2317 CG ARG A 143 -9.744 -11.741 11.030 1.00 12.40 C ATOM 2318 CD ARG A 143 -9.466 -12.662 12.236 1.00 55.33 C ATOM 2319 NE ARG A 143 -8.467 -12.080 13.156 1.00 71.30 N ATOM 2320 CZ ARG A 143 -8.225 -12.484 14.385 1.00 35.25 C ATOM 2321 NH1 ARG A 143 -8.830 -13.508 14.907 1.00 53.14 N ATOM 2322 NH2 ARG A 143 -7.368 -11.838 15.094 1.00 41.25 N ATOM 0 H ARG A 143 -10.160 -7.828 11.797 1.00 63.10 H new ATOM 0 HA ARG A 143 -9.809 -9.443 9.455 1.00 53.44 H new ATOM 0 HB2 ARG A 143 -9.041 -9.886 11.883 1.00 44.31 H new ATOM 0 HB3 ARG A 143 -10.712 -10.254 12.262 1.00 44.31 H new ATOM 0 HG2 ARG A 143 -10.623 -12.100 10.494 1.00 12.40 H new ATOM 0 HG3 ARG A 143 -8.905 -11.790 10.336 1.00 12.40 H new ATOM 0 HD2 ARG A 143 -10.395 -12.843 12.776 1.00 55.33 H new ATOM 0 HD3 ARG A 143 -9.111 -13.629 11.880 1.00 55.33 H new ATOM 0 HE ARG A 143 -7.916 -11.295 12.808 1.00 71.30 H new ATOM 0 HH11 ARG A 143 -9.518 -14.027 14.361 1.00 53.14 H new ATOM 0 HH12 ARG A 143 -8.618 -13.793 15.863 1.00 53.14 H new ATOM 0 HH21 ARG A 143 -6.889 -11.027 14.702 1.00 41.25 H new ATOM 0 HH22 ARG A 143 -7.167 -12.136 16.049 1.00 41.25 H new ATOM 2336 N GLU A 144 -12.858 -9.191 10.741 1.00 13.22 N ATOM 2337 CA GLU A 144 -14.297 -9.389 10.462 1.00 35.40 C ATOM 2338 C GLU A 144 -14.682 -8.709 9.123 1.00 12.22 C ATOM 2339 O GLU A 144 -15.468 -9.253 8.349 1.00 51.04 O ATOM 2340 CB GLU A 144 -15.136 -8.860 11.666 1.00 4.33 C ATOM 2341 CG GLU A 144 -16.673 -9.114 11.620 1.00 34.34 C ATOM 2342 CD GLU A 144 -17.489 -8.012 10.911 1.00 51.12 C ATOM 2343 OE1 GLU A 144 -17.738 -6.956 11.530 1.00 44.03 O ATOM 2344 OE2 GLU A 144 -17.869 -8.183 9.732 1.00 31.01 O ATOM 0 H GLU A 144 -12.675 -8.671 11.599 1.00 13.22 H new ATOM 0 HA GLU A 144 -14.515 -10.451 10.349 1.00 35.40 H new ATOM 0 HB2 GLU A 144 -14.745 -9.312 12.577 1.00 4.33 H new ATOM 0 HB3 GLU A 144 -14.972 -7.786 11.748 1.00 4.33 H new ATOM 0 HG2 GLU A 144 -16.856 -10.063 11.116 1.00 34.34 H new ATOM 0 HG3 GLU A 144 -17.041 -9.219 12.641 1.00 34.34 H new ATOM 2351 N PHE A 145 -14.067 -7.538 8.844 1.00 64.11 N ATOM 2352 CA PHE A 145 -14.210 -6.839 7.547 1.00 24.10 C ATOM 2353 C PHE A 145 -13.652 -7.707 6.386 1.00 2.13 C ATOM 2354 O PHE A 145 -14.252 -7.770 5.309 1.00 21.32 O ATOM 2355 CB PHE A 145 -13.502 -5.460 7.597 1.00 40.12 C ATOM 2356 CG PHE A 145 -13.683 -4.609 6.336 1.00 11.44 C ATOM 2357 CD1 PHE A 145 -14.903 -3.986 6.067 1.00 64.11 C ATOM 2358 CD2 PHE A 145 -12.642 -4.437 5.416 1.00 74.14 C ATOM 2359 CE1 PHE A 145 -15.079 -3.224 4.927 1.00 1.51 C ATOM 2360 CE2 PHE A 145 -12.822 -3.673 4.278 1.00 64.14 C ATOM 2361 CZ PHE A 145 -14.039 -3.068 4.032 1.00 23.24 C ATOM 0 H PHE A 145 -13.461 -7.053 9.507 1.00 64.11 H new ATOM 0 HA PHE A 145 -15.271 -6.674 7.360 1.00 24.10 H new ATOM 0 HB2 PHE A 145 -13.880 -4.902 8.454 1.00 40.12 H new ATOM 0 HB3 PHE A 145 -12.437 -5.618 7.764 1.00 40.12 H new ATOM 0 HD1 PHE A 145 -15.723 -4.101 6.761 1.00 64.11 H new ATOM 0 HD2 PHE A 145 -11.687 -4.907 5.597 1.00 74.14 H new ATOM 0 HE1 PHE A 145 -16.031 -2.750 4.736 1.00 1.51 H new ATOM 0 HE2 PHE A 145 -12.008 -3.549 3.579 1.00 64.14 H new ATOM 0 HZ PHE A 145 -14.177 -2.474 3.141 1.00 23.24 H new ATOM 2371 N LEU A 146 -12.526 -8.404 6.642 1.00 34.22 N ATOM 2372 CA LEU A 146 -11.915 -9.350 5.674 1.00 1.02 C ATOM 2373 C LEU A 146 -12.869 -10.520 5.367 1.00 31.41 C ATOM 2374 O LEU A 146 -13.005 -10.915 4.217 1.00 55.42 O ATOM 2375 CB LEU A 146 -10.550 -9.893 6.227 1.00 61.33 C ATOM 2376 CG LEU A 146 -9.263 -9.250 5.637 1.00 75.01 C ATOM 2377 CD1 LEU A 146 -8.039 -9.560 6.513 1.00 11.30 C ATOM 2378 CD2 LEU A 146 -9.035 -9.708 4.179 1.00 2.00 C ATOM 0 H LEU A 146 -12.013 -8.330 7.521 1.00 34.22 H new ATOM 0 HA LEU A 146 -11.729 -8.810 4.746 1.00 1.02 H new ATOM 0 HB2 LEU A 146 -10.538 -9.752 7.308 1.00 61.33 H new ATOM 0 HB3 LEU A 146 -10.510 -10.967 6.045 1.00 61.33 H new ATOM 0 HG LEU A 146 -9.401 -8.169 5.630 1.00 75.01 H new ATOM 0 HD11 LEU A 146 -7.153 -9.098 6.077 1.00 11.30 H new ATOM 0 HD12 LEU A 146 -8.199 -9.163 7.515 1.00 11.30 H new ATOM 0 HD13 LEU A 146 -7.895 -10.639 6.569 1.00 11.30 H new ATOM 0 HD21 LEU A 146 -8.129 -9.244 3.789 1.00 2.00 H new ATOM 0 HD22 LEU A 146 -8.929 -10.792 4.151 1.00 2.00 H new ATOM 0 HD23 LEU A 146 -9.887 -9.411 3.567 1.00 2.00 H new ATOM 2390 N GLN A 147 -13.514 -11.057 6.420 1.00 1.03 N ATOM 2391 CA GLN A 147 -14.394 -12.239 6.319 1.00 2.23 C ATOM 2392 C GLN A 147 -15.746 -11.914 5.637 1.00 3.42 C ATOM 2393 O GLN A 147 -16.255 -12.722 4.854 1.00 20.20 O ATOM 2394 CB GLN A 147 -14.602 -12.859 7.729 1.00 73.54 C ATOM 2395 CG GLN A 147 -13.278 -13.198 8.457 1.00 62.51 C ATOM 2396 CD GLN A 147 -13.458 -13.940 9.780 1.00 0.11 C ATOM 2397 OE1 GLN A 147 -13.621 -13.333 10.832 1.00 55.41 O ATOM 2398 NE2 GLN A 147 -13.409 -15.256 9.744 1.00 52.22 N ATOM 0 H GLN A 147 -13.440 -10.684 7.366 1.00 1.03 H new ATOM 0 HA GLN A 147 -13.902 -12.971 5.678 1.00 2.23 H new ATOM 0 HB2 GLN A 147 -15.176 -12.164 8.342 1.00 73.54 H new ATOM 0 HB3 GLN A 147 -15.198 -13.767 7.634 1.00 73.54 H new ATOM 0 HG2 GLN A 147 -12.659 -13.804 7.796 1.00 62.51 H new ATOM 0 HG3 GLN A 147 -12.733 -12.273 8.644 1.00 62.51 H new ATOM 0 HE21 GLN A 147 -13.272 -15.737 8.855 1.00 52.22 H new ATOM 0 HE22 GLN A 147 -13.508 -15.794 10.605 1.00 52.22 H new ATOM 2407 N GLN A 148 -16.332 -10.731 5.932 1.00 44.53 N ATOM 2408 CA GLN A 148 -17.571 -10.286 5.253 1.00 5.43 C ATOM 2409 C GLN A 148 -17.295 -9.989 3.763 1.00 72.52 C ATOM 2410 O GLN A 148 -18.056 -10.410 2.901 1.00 11.21 O ATOM 2411 CB GLN A 148 -18.226 -9.063 5.959 1.00 30.43 C ATOM 2412 CG GLN A 148 -17.486 -7.716 5.807 1.00 62.21 C ATOM 2413 CD GLN A 148 -18.192 -6.521 6.458 1.00 25.13 C ATOM 2414 OE1 GLN A 148 -17.551 -5.589 6.909 1.00 71.23 O ATOM 2415 NE2 GLN A 148 -19.510 -6.511 6.472 1.00 41.23 N ATOM 0 H GLN A 148 -15.973 -10.075 6.626 1.00 44.53 H new ATOM 0 HA GLN A 148 -18.289 -11.104 5.317 1.00 5.43 H new ATOM 0 HB2 GLN A 148 -19.238 -8.944 5.572 1.00 30.43 H new ATOM 0 HB3 GLN A 148 -18.316 -9.288 7.022 1.00 30.43 H new ATOM 0 HG2 GLN A 148 -16.491 -7.813 6.240 1.00 62.21 H new ATOM 0 HG3 GLN A 148 -17.353 -7.508 4.745 1.00 62.21 H new ATOM 0 HE21 GLN A 148 -20.030 -7.301 6.090 1.00 41.23 H new ATOM 0 HE22 GLN A 148 -20.010 -5.713 6.865 1.00 41.23 H new ATOM 2424 N GLN A 149 -16.160 -9.315 3.461 1.00 64.32 N ATOM 2425 CA GLN A 149 -15.760 -9.038 2.064 1.00 64.30 C ATOM 2426 C GLN A 149 -15.367 -10.339 1.335 1.00 1.30 C ATOM 2427 O GLN A 149 -15.556 -10.445 0.130 1.00 62.43 O ATOM 2428 CB GLN A 149 -14.608 -8.001 1.990 1.00 22.10 C ATOM 2429 CG GLN A 149 -14.988 -6.580 2.471 1.00 44.11 C ATOM 2430 CD GLN A 149 -16.149 -5.954 1.680 1.00 42.30 C ATOM 2431 OE1 GLN A 149 -15.945 -5.294 0.669 1.00 1.32 O ATOM 2432 NE2 GLN A 149 -17.371 -6.149 2.137 1.00 33.20 N ATOM 0 H GLN A 149 -15.511 -8.956 4.161 1.00 64.32 H new ATOM 0 HA GLN A 149 -16.625 -8.607 1.560 1.00 64.30 H new ATOM 0 HB2 GLN A 149 -13.773 -8.362 2.590 1.00 22.10 H new ATOM 0 HB3 GLN A 149 -14.257 -7.940 0.960 1.00 22.10 H new ATOM 0 HG2 GLN A 149 -15.259 -6.623 3.526 1.00 44.11 H new ATOM 0 HG3 GLN A 149 -14.115 -5.933 2.392 1.00 44.11 H new ATOM 0 HE21 GLN A 149 -17.518 -6.702 2.981 1.00 33.20 H new ATOM 0 HE22 GLN A 149 -18.169 -5.746 1.646 1.00 33.20 H new ATOM 2441 N TYR A 150 -14.837 -11.319 2.096 1.00 11.44 N ATOM 2442 CA TYR A 150 -14.500 -12.664 1.589 1.00 42.21 C ATOM 2443 C TYR A 150 -15.755 -13.386 1.071 1.00 4.31 C ATOM 2444 O TYR A 150 -15.817 -13.712 -0.097 1.00 23.52 O ATOM 2445 CB TYR A 150 -13.808 -13.499 2.699 1.00 33.14 C ATOM 2446 CG TYR A 150 -13.399 -14.937 2.313 1.00 3.45 C ATOM 2447 CD1 TYR A 150 -12.170 -15.204 1.698 1.00 55.24 C ATOM 2448 CD2 TYR A 150 -14.230 -16.029 2.587 1.00 52.22 C ATOM 2449 CE1 TYR A 150 -11.793 -16.493 1.367 1.00 54.01 C ATOM 2450 CE2 TYR A 150 -13.855 -17.317 2.259 1.00 44.05 C ATOM 2451 CZ TYR A 150 -12.640 -17.543 1.649 1.00 54.00 C ATOM 2452 OH TYR A 150 -12.270 -18.827 1.319 1.00 25.50 O ATOM 0 H TYR A 150 -14.630 -11.197 3.087 1.00 11.44 H new ATOM 0 HA TYR A 150 -13.808 -12.552 0.754 1.00 42.21 H new ATOM 0 HB2 TYR A 150 -12.916 -12.964 3.024 1.00 33.14 H new ATOM 0 HB3 TYR A 150 -14.478 -13.552 3.557 1.00 33.14 H new ATOM 0 HD1 TYR A 150 -11.501 -14.385 1.477 1.00 55.24 H new ATOM 0 HD2 TYR A 150 -15.184 -15.861 3.065 1.00 52.22 H new ATOM 0 HE1 TYR A 150 -10.841 -16.675 0.891 1.00 54.01 H new ATOM 0 HE2 TYR A 150 -14.512 -18.145 2.480 1.00 44.05 H new ATOM 0 HH TYR A 150 -12.978 -19.450 1.586 1.00 25.50 H new ATOM 2462 N ARG A 151 -16.759 -13.603 1.948 1.00 41.23 N ATOM 2463 CA ARG A 151 -17.986 -14.370 1.596 1.00 75.30 C ATOM 2464 C ARG A 151 -18.788 -13.698 0.442 1.00 1.10 C ATOM 2465 O ARG A 151 -19.290 -14.389 -0.470 1.00 25.44 O ATOM 2466 CB ARG A 151 -18.884 -14.575 2.847 1.00 72.14 C ATOM 2467 CG ARG A 151 -19.492 -13.282 3.436 1.00 21.02 C ATOM 2468 CD ARG A 151 -20.400 -13.543 4.648 1.00 35.22 C ATOM 2469 NE ARG A 151 -21.545 -14.415 4.323 1.00 12.14 N ATOM 2470 CZ ARG A 151 -22.407 -14.900 5.200 1.00 1.34 C ATOM 2471 NH1 ARG A 151 -22.337 -14.590 6.465 1.00 74.24 N ATOM 2472 NH2 ARG A 151 -23.357 -15.679 4.790 1.00 0.22 N ATOM 0 H ARG A 151 -16.749 -13.259 2.908 1.00 41.23 H new ATOM 0 HA ARG A 151 -17.663 -15.347 1.235 1.00 75.30 H new ATOM 0 HB2 ARG A 151 -19.696 -15.253 2.585 1.00 72.14 H new ATOM 0 HB3 ARG A 151 -18.295 -15.067 3.621 1.00 72.14 H new ATOM 0 HG2 ARG A 151 -18.686 -12.610 3.731 1.00 21.02 H new ATOM 0 HG3 ARG A 151 -20.066 -12.772 2.662 1.00 21.02 H new ATOM 0 HD2 ARG A 151 -19.814 -14.001 5.444 1.00 35.22 H new ATOM 0 HD3 ARG A 151 -20.770 -12.592 5.032 1.00 35.22 H new ATOM 0 HE ARG A 151 -21.682 -14.663 3.343 1.00 12.14 H new ATOM 0 HH11 ARG A 151 -21.606 -13.961 6.796 1.00 74.24 H new ATOM 0 HH12 ARG A 151 -23.014 -14.977 7.123 1.00 74.24 H new ATOM 0 HH21 ARG A 151 -23.434 -15.912 3.800 1.00 0.22 H new ATOM 0 HH22 ARG A 151 -24.028 -16.059 5.457 1.00 0.22 H new ATOM 2486 N LEU A 152 -18.854 -12.343 0.471 1.00 71.44 N ATOM 2487 CA LEU A 152 -19.515 -11.544 -0.580 1.00 74.22 C ATOM 2488 C LEU A 152 -18.749 -11.676 -1.912 1.00 21.54 C ATOM 2489 O LEU A 152 -19.349 -11.655 -2.978 1.00 51.33 O ATOM 2490 CB LEU A 152 -19.598 -10.049 -0.153 1.00 34.14 C ATOM 2491 CG LEU A 152 -20.465 -9.736 1.115 1.00 62.35 C ATOM 2492 CD1 LEU A 152 -20.316 -8.262 1.545 1.00 2.45 C ATOM 2493 CD2 LEU A 152 -21.948 -10.117 0.903 1.00 62.51 C ATOM 0 H LEU A 152 -18.452 -11.781 1.221 1.00 71.44 H new ATOM 0 HA LEU A 152 -20.528 -11.923 -0.719 1.00 74.22 H new ATOM 0 HB2 LEU A 152 -18.585 -9.688 0.027 1.00 34.14 H new ATOM 0 HB3 LEU A 152 -19.997 -9.476 -0.990 1.00 34.14 H new ATOM 0 HG LEU A 152 -20.088 -10.356 1.928 1.00 62.35 H new ATOM 0 HD11 LEU A 152 -20.929 -8.076 2.427 1.00 2.45 H new ATOM 0 HD12 LEU A 152 -19.272 -8.055 1.779 1.00 2.45 H new ATOM 0 HD13 LEU A 152 -20.641 -7.611 0.733 1.00 2.45 H new ATOM 0 HD21 LEU A 152 -22.516 -9.885 1.804 1.00 62.51 H new ATOM 0 HD22 LEU A 152 -22.352 -9.552 0.063 1.00 62.51 H new ATOM 0 HD23 LEU A 152 -22.023 -11.184 0.692 1.00 62.51 H new ATOM 2505 N PHE A 153 -17.410 -11.777 -1.823 1.00 31.24 N ATOM 2506 CA PHE A 153 -16.532 -12.044 -2.981 1.00 12.42 C ATOM 2507 C PHE A 153 -16.726 -13.478 -3.548 1.00 34.34 C ATOM 2508 O PHE A 153 -16.772 -13.667 -4.770 1.00 51.51 O ATOM 2509 CB PHE A 153 -15.059 -11.837 -2.554 1.00 75.04 C ATOM 2510 CG PHE A 153 -14.085 -11.674 -3.701 1.00 14.44 C ATOM 2511 CD1 PHE A 153 -13.502 -12.780 -4.315 1.00 30.31 C ATOM 2512 CD2 PHE A 153 -13.759 -10.402 -4.171 1.00 40.10 C ATOM 2513 CE1 PHE A 153 -12.633 -12.616 -5.359 1.00 44.24 C ATOM 2514 CE2 PHE A 153 -12.887 -10.248 -5.213 1.00 30.34 C ATOM 2515 CZ PHE A 153 -12.330 -11.353 -5.808 1.00 1.51 C ATOM 0 H PHE A 153 -16.903 -11.676 -0.944 1.00 31.24 H new ATOM 0 HA PHE A 153 -16.798 -11.348 -3.776 1.00 12.42 H new ATOM 0 HB2 PHE A 153 -15.000 -10.954 -1.917 1.00 75.04 H new ATOM 0 HB3 PHE A 153 -14.747 -12.688 -1.949 1.00 75.04 H new ATOM 0 HD1 PHE A 153 -13.738 -13.774 -3.965 1.00 30.31 H new ATOM 0 HD2 PHE A 153 -14.199 -9.531 -3.708 1.00 40.10 H new ATOM 0 HE1 PHE A 153 -12.185 -13.479 -5.830 1.00 44.24 H new ATOM 0 HE2 PHE A 153 -12.637 -9.259 -5.567 1.00 30.34 H new ATOM 0 HZ PHE A 153 -11.648 -11.229 -6.636 1.00 1.51 H new ATOM 2525 N GLN A 154 -16.830 -14.487 -2.653 1.00 11.13 N ATOM 2526 CA GLN A 154 -16.892 -15.912 -3.064 1.00 74.13 C ATOM 2527 C GLN A 154 -18.211 -16.231 -3.769 1.00 2.52 C ATOM 2528 O GLN A 154 -18.227 -17.025 -4.713 1.00 53.11 O ATOM 2529 CB GLN A 154 -16.681 -16.890 -1.875 1.00 1.05 C ATOM 2530 CG GLN A 154 -15.436 -16.609 -1.017 1.00 31.11 C ATOM 2531 CD GLN A 154 -14.130 -16.432 -1.796 1.00 41.31 C ATOM 2532 OE1 GLN A 154 -13.886 -17.081 -2.806 1.00 1.44 O ATOM 2533 NE2 GLN A 154 -13.299 -15.507 -1.348 1.00 2.53 N ATOM 0 H GLN A 154 -16.873 -14.343 -1.644 1.00 11.13 H new ATOM 0 HA GLN A 154 -16.068 -16.059 -3.763 1.00 74.13 H new ATOM 0 HB2 GLN A 154 -17.562 -16.854 -1.234 1.00 1.05 H new ATOM 0 HB3 GLN A 154 -16.613 -17.905 -2.266 1.00 1.05 H new ATOM 0 HG2 GLN A 154 -15.615 -15.708 -0.431 1.00 31.11 H new ATOM 0 HG3 GLN A 154 -15.310 -17.429 -0.310 1.00 31.11 H new ATOM 0 HE21 GLN A 154 -13.528 -14.982 -0.504 1.00 2.53 H new ATOM 0 HE22 GLN A 154 -12.429 -15.319 -1.846 1.00 2.53 H new ATOM 2542 N THR A 155 -19.309 -15.575 -3.337 1.00 54.12 N ATOM 2543 CA THR A 155 -20.641 -15.761 -3.966 1.00 62.51 C ATOM 2544 C THR A 155 -20.642 -15.251 -5.444 1.00 4.02 C ATOM 2545 O THR A 155 -21.449 -15.695 -6.258 1.00 15.15 O ATOM 2546 CB THR A 155 -21.785 -15.060 -3.139 1.00 44.10 C ATOM 2547 OG1 THR A 155 -23.061 -15.646 -3.455 1.00 35.14 O ATOM 2548 CG2 THR A 155 -21.864 -13.545 -3.400 1.00 5.43 C ATOM 0 H THR A 155 -19.303 -14.915 -2.560 1.00 54.12 H new ATOM 0 HA THR A 155 -20.845 -16.832 -3.970 1.00 62.51 H new ATOM 0 HB THR A 155 -21.541 -15.212 -2.088 1.00 44.10 H new ATOM 0 HG1 THR A 155 -23.763 -15.203 -2.934 1.00 35.14 H new ATOM 0 HG21 THR A 155 -22.669 -13.115 -2.804 1.00 5.43 H new ATOM 0 HG22 THR A 155 -20.919 -13.078 -3.123 1.00 5.43 H new ATOM 0 HG23 THR A 155 -22.060 -13.368 -4.457 1.00 5.43 H new ATOM 2556 N ARG A 156 -19.698 -14.335 -5.769 1.00 25.03 N ATOM 2557 CA ARG A 156 -19.543 -13.759 -7.127 1.00 51.30 C ATOM 2558 C ARG A 156 -18.851 -14.751 -8.095 1.00 43.23 C ATOM 2559 O ARG A 156 -19.155 -14.767 -9.285 1.00 33.42 O ATOM 2560 CB ARG A 156 -18.717 -12.442 -7.058 1.00 43.33 C ATOM 2561 CG ARG A 156 -19.277 -11.389 -6.076 1.00 54.32 C ATOM 2562 CD ARG A 156 -18.323 -10.197 -5.856 1.00 13.44 C ATOM 2563 NE ARG A 156 -18.710 -9.365 -4.694 1.00 12.14 N ATOM 2564 CZ ARG A 156 -17.944 -8.444 -4.123 1.00 1.14 C ATOM 2565 NH1 ARG A 156 -16.764 -8.159 -4.588 1.00 74.22 N ATOM 2566 NH2 ARG A 156 -18.375 -7.810 -3.080 1.00 23.44 N ATOM 0 H ARG A 156 -19.022 -13.974 -5.096 1.00 25.03 H new ATOM 0 HA ARG A 156 -20.542 -13.550 -7.510 1.00 51.30 H new ATOM 0 HB2 ARG A 156 -17.694 -12.683 -6.769 1.00 43.33 H new ATOM 0 HB3 ARG A 156 -18.671 -12.003 -8.055 1.00 43.33 H new ATOM 0 HG2 ARG A 156 -20.230 -11.019 -6.455 1.00 54.32 H new ATOM 0 HG3 ARG A 156 -19.479 -11.867 -5.117 1.00 54.32 H new ATOM 0 HD2 ARG A 156 -17.309 -10.570 -5.710 1.00 13.44 H new ATOM 0 HD3 ARG A 156 -18.308 -9.578 -6.753 1.00 13.44 H new ATOM 0 HE ARG A 156 -19.640 -9.511 -4.301 1.00 12.14 H new ATOM 0 HH11 ARG A 156 -16.408 -8.647 -5.410 1.00 74.22 H new ATOM 0 HH12 ARG A 156 -16.194 -7.447 -4.131 1.00 74.22 H new ATOM 0 HH21 ARG A 156 -19.299 -8.019 -2.701 1.00 23.44 H new ATOM 0 HH22 ARG A 156 -17.791 -7.101 -2.637 1.00 23.44 H new ATOM 2580 N LEU A 157 -17.886 -15.544 -7.579 1.00 4.45 N ATOM 2581 CA LEU A 157 -17.108 -16.510 -8.404 1.00 20.15 C ATOM 2582 C LEU A 157 -17.735 -17.933 -8.440 1.00 75.45 C ATOM 2583 O LEU A 157 -17.576 -18.654 -9.430 1.00 1.10 O ATOM 2584 CB LEU A 157 -15.605 -16.515 -7.968 1.00 25.35 C ATOM 2585 CG LEU A 157 -15.271 -16.749 -6.447 1.00 34.12 C ATOM 2586 CD1 LEU A 157 -15.348 -18.237 -6.037 1.00 64.45 C ATOM 2587 CD2 LEU A 157 -13.895 -16.149 -6.083 1.00 33.20 C ATOM 0 H LEU A 157 -17.623 -15.538 -6.594 1.00 4.45 H new ATOM 0 HA LEU A 157 -17.153 -16.166 -9.437 1.00 20.15 H new ATOM 0 HB2 LEU A 157 -15.094 -17.287 -8.543 1.00 25.35 H new ATOM 0 HB3 LEU A 157 -15.170 -15.559 -8.261 1.00 25.35 H new ATOM 0 HG LEU A 157 -16.041 -16.228 -5.878 1.00 34.12 H new ATOM 0 HD11 LEU A 157 -15.108 -18.336 -4.978 1.00 64.45 H new ATOM 0 HD12 LEU A 157 -16.355 -18.612 -6.217 1.00 64.45 H new ATOM 0 HD13 LEU A 157 -14.635 -18.814 -6.626 1.00 64.45 H new ATOM 0 HD21 LEU A 157 -13.689 -16.325 -5.027 1.00 33.20 H new ATOM 0 HD22 LEU A 157 -13.121 -16.622 -6.687 1.00 33.20 H new ATOM 0 HD23 LEU A 157 -13.903 -15.077 -6.278 1.00 33.20 H new ATOM 2599 N THR A 158 -18.437 -18.344 -7.364 1.00 11.13 N ATOM 2600 CA THR A 158 -19.159 -19.648 -7.331 1.00 3.32 C ATOM 2601 C THR A 158 -20.589 -19.495 -7.899 1.00 24.01 C ATOM 2602 O THR A 158 -21.151 -20.454 -8.443 1.00 11.53 O ATOM 2603 CB THR A 158 -19.235 -20.269 -5.890 1.00 14.21 C ATOM 2604 OG1 THR A 158 -19.658 -21.647 -5.959 1.00 15.34 O ATOM 2605 CG2 THR A 158 -20.207 -19.499 -4.978 1.00 55.32 C ATOM 0 H THR A 158 -18.524 -17.799 -6.506 1.00 11.13 H new ATOM 0 HA THR A 158 -18.582 -20.331 -7.954 1.00 3.32 H new ATOM 0 HB THR A 158 -18.234 -20.201 -5.464 1.00 14.21 H new ATOM 0 HG1 THR A 158 -19.700 -22.022 -5.055 1.00 15.34 H new ATOM 0 HG21 THR A 158 -20.227 -19.964 -3.992 1.00 55.32 H new ATOM 0 HG22 THR A 158 -19.876 -18.465 -4.884 1.00 55.32 H new ATOM 0 HG23 THR A 158 -21.207 -19.522 -5.410 1.00 55.32 H new ATOM 2613 N GLU A 159 -21.160 -18.271 -7.747 1.00 11.31 N ATOM 2614 CA GLU A 159 -22.496 -17.896 -8.268 1.00 30.33 C ATOM 2615 C GLU A 159 -23.621 -18.832 -7.750 1.00 64.41 C ATOM 2616 O GLU A 159 -24.508 -19.224 -8.514 1.00 73.14 O ATOM 2617 CB GLU A 159 -22.434 -17.837 -9.815 1.00 64.45 C ATOM 2618 CG GLU A 159 -21.530 -16.717 -10.365 1.00 71.15 C ATOM 2619 CD GLU A 159 -21.457 -16.702 -11.904 1.00 51.41 C ATOM 2620 OE1 GLU A 159 -22.363 -16.131 -12.543 1.00 5.11 O ATOM 2621 OE2 GLU A 159 -20.499 -17.266 -12.479 1.00 63.31 O ATOM 0 H GLU A 159 -20.697 -17.509 -7.252 1.00 11.31 H new ATOM 0 HA GLU A 159 -22.758 -16.908 -7.889 1.00 30.33 H new ATOM 0 HB2 GLU A 159 -22.076 -18.796 -10.191 1.00 64.45 H new ATOM 0 HB3 GLU A 159 -23.443 -17.699 -10.204 1.00 64.45 H new ATOM 0 HG2 GLU A 159 -21.901 -15.754 -10.015 1.00 71.15 H new ATOM 0 HG3 GLU A 159 -20.525 -16.837 -9.960 1.00 71.15 H new ATOM 2628 N THR A 160 -23.572 -19.136 -6.426 1.00 25.15 N ATOM 2629 CA THR A 160 -24.477 -20.110 -5.740 1.00 73.55 C ATOM 2630 C THR A 160 -24.222 -21.569 -6.248 1.00 14.31 C ATOM 2631 O THR A 160 -24.776 -21.969 -7.308 1.00 52.41 O ATOM 2632 CB THR A 160 -26.013 -19.743 -5.864 1.00 71.13 C ATOM 2633 OG1 THR A 160 -26.235 -18.380 -5.467 1.00 64.53 O ATOM 2634 CG2 THR A 160 -26.912 -20.656 -5.004 1.00 62.34 C ATOM 2635 OXT THR A 160 -23.455 -22.311 -5.592 1.00 37.47 O ATOM 0 H THR A 160 -22.896 -18.709 -5.793 1.00 25.15 H new ATOM 0 HA THR A 160 -24.229 -20.050 -4.680 1.00 73.55 H new ATOM 0 HB THR A 160 -26.280 -19.887 -6.911 1.00 71.13 H new ATOM 0 HG1 THR A 160 -27.188 -18.166 -5.550 1.00 64.53 H new ATOM 0 HG21 THR A 160 -27.954 -20.360 -5.127 1.00 62.34 H new ATOM 0 HG22 THR A 160 -26.789 -21.691 -5.321 1.00 62.34 H new ATOM 0 HG23 THR A 160 -26.629 -20.562 -3.956 1.00 62.34 H new TER 2643 THR A 160