USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1086 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 65 ASN : amide:sc= -0.0151 K(o=-0.36,f=-1.5) USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= -0.347 F(o=-1.1,f=-0.36) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= -0.734 USER MOD Set 2.2: A 26 SER OG : rot -67:sc= -1.46 USER MOD Set 2.3: A 27 LYS NZ :NH3+ 167:sc= 0.00905 (180deg=0) USER MOD Set 2.4: A 66 HIS : no HE2:sc= -0.449 X(o=-2.6,f=-2.8) USER MOD Set 3.1: A 9 THR OG1 : rot 78:sc= -0.256 USER MOD Set 3.2: A 42 MET CE :methyl -177:sc= -2.27 (180deg=-1.83) USER MOD Single : A 5 SER OG : rot 33:sc= 0.111 USER MOD Single : A 7 GLN : amide:sc= -1.36 K(o=-1.4,f=-8.8!) USER MOD Single : A 10 THR OG1 : rot 69:sc= 1.21 USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.0211 (180deg=-0.232) USER MOD Single : A 13 ASN : amide:sc= -8.03! C(o=-8!,f=-15!) USER MOD Single : A 14 THR OG1 : rot -68:sc= -0.208 USER MOD Single : A 18 SER OG : rot 180:sc= 0.021 USER MOD Single : A 19 GLN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.1 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.88!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.00444 USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0619 (180deg=-0.467) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.712 USER MOD Single : A 47 MET CE :methyl -132:sc= -1.72 (180deg=-6.31!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 53 ASN : amide:sc= -2.08 K(o=-2.1,f=-4.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -142:sc= -1.08 (180deg=-4.11!) USER MOD Single : A 70 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.79) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0.798 (180deg=0.733) USER MOD Single : A 74 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= -0.107 (180deg=-0.603) USER MOD Single : A 78 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.26) USER MOD Single : A 80 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.3) USER MOD Single : A 82 SER OG : rot 180:sc= -0.752 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.42! C(o=-3.8!,f=-2.4!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -114:sc= 0.488 (180deg=-0.273) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= -0.0192 (180deg=-0.263) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.491 X(o=0.49,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0216) USER MOD Single : A 117 ASN : amide:sc= -0.0605 K(o=-0.06,f=-1.7!) USER MOD Single : A 120 SER OG : rot 180:sc= -0.131 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 125 ASN : amide:sc= 0.529 K(o=0.53,f=0) USER MOD Single : A 130 SER OG : rot -155:sc= 0.79 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 0.854 -5.882 1.880 1.00 32.41 N ATOM 43 CA SER A 5 0.350 -5.771 3.244 1.00 41.41 C ATOM 44 C SER A 5 0.127 -7.150 3.856 1.00 65.43 C ATOM 45 O SER A 5 0.446 -7.382 5.021 1.00 34.35 O ATOM 46 CB SER A 5 -0.956 -4.975 3.264 1.00 53.40 C ATOM 47 OG SER A 5 -0.786 -3.701 2.667 1.00 14.30 O ATOM 0 HA SER A 5 1.097 -5.246 3.839 1.00 41.41 H new ATOM 0 HB2 SER A 5 -1.731 -5.528 2.733 1.00 53.40 H new ATOM 0 HB3 SER A 5 -1.297 -4.856 4.292 1.00 53.40 H new ATOM 0 HG SER A 5 -0.131 -3.765 1.941 1.00 14.30 H new ATOM 53 N GLU A 6 -0.421 -8.062 3.059 1.00 33.52 N ATOM 54 CA GLU A 6 -0.688 -9.419 3.522 1.00 25.34 C ATOM 55 C GLU A 6 0.601 -10.105 3.968 1.00 41.31 C ATOM 56 O GLU A 6 0.589 -10.949 4.863 1.00 73.43 O ATOM 57 CB GLU A 6 -1.357 -10.237 2.416 1.00 33.43 C ATOM 58 CG GLU A 6 -0.612 -10.196 1.093 1.00 71.32 C ATOM 59 CD GLU A 6 -1.243 -9.241 0.098 1.00 65.42 C ATOM 60 OE1 GLU A 6 -2.023 -8.367 0.529 1.00 52.24 O ATOM 61 OE2 GLU A 6 -0.956 -9.368 -1.111 1.00 21.42 O ATOM 0 H GLU A 6 -0.689 -7.886 2.091 1.00 33.52 H new ATOM 0 HA GLU A 6 -1.362 -9.358 4.377 1.00 25.34 H new ATOM 0 HB2 GLU A 6 -1.442 -11.273 2.743 1.00 33.43 H new ATOM 0 HB3 GLU A 6 -2.371 -9.866 2.264 1.00 33.43 H new ATOM 0 HG2 GLU A 6 0.421 -9.899 1.271 1.00 71.32 H new ATOM 0 HG3 GLU A 6 -0.586 -11.198 0.664 1.00 71.32 H new ATOM 68 N GLN A 7 1.710 -9.734 3.336 1.00 22.41 N ATOM 69 CA GLN A 7 3.007 -10.314 3.666 1.00 33.33 C ATOM 70 C GLN A 7 3.428 -9.936 5.082 1.00 15.15 C ATOM 71 O GLN A 7 3.763 -10.800 5.893 1.00 1.42 O ATOM 72 CB GLN A 7 4.066 -9.850 2.665 1.00 23.34 C ATOM 73 CG GLN A 7 4.447 -10.912 1.646 1.00 31.12 C ATOM 74 CD GLN A 7 5.248 -12.046 2.256 1.00 42.53 C ATOM 75 OE1 GLN A 7 5.226 -12.254 3.469 1.00 24.21 O ATOM 76 NE2 GLN A 7 5.962 -12.785 1.415 1.00 74.41 N ATOM 0 H GLN A 7 1.737 -9.035 2.593 1.00 22.41 H new ATOM 0 HA GLN A 7 2.916 -11.399 3.611 1.00 33.33 H new ATOM 0 HB2 GLN A 7 3.696 -8.970 2.139 1.00 23.34 H new ATOM 0 HB3 GLN A 7 4.959 -9.544 3.210 1.00 23.34 H new ATOM 0 HG2 GLN A 7 3.542 -11.315 1.191 1.00 31.12 H new ATOM 0 HG3 GLN A 7 5.027 -10.451 0.847 1.00 31.12 H new ATOM 0 HE21 GLN A 7 5.950 -12.576 0.417 1.00 74.41 H new ATOM 0 HE22 GLN A 7 6.522 -13.561 1.767 1.00 74.41 H new ATOM 85 N PHE A 8 3.408 -8.639 5.374 1.00 72.42 N ATOM 86 CA PHE A 8 3.789 -8.146 6.692 1.00 33.22 C ATOM 87 C PHE A 8 2.916 -8.768 7.778 1.00 12.35 C ATOM 88 O PHE A 8 3.417 -9.247 8.796 1.00 21.12 O ATOM 89 CB PHE A 8 3.676 -6.621 6.742 1.00 73.12 C ATOM 90 CG PHE A 8 4.036 -6.036 8.077 1.00 22.45 C ATOM 91 CD1 PHE A 8 5.228 -6.375 8.698 1.00 41.03 C ATOM 92 CD2 PHE A 8 3.184 -5.148 8.713 1.00 53.15 C ATOM 93 CE1 PHE A 8 5.562 -5.839 9.927 1.00 12.01 C ATOM 94 CE2 PHE A 8 3.512 -4.608 9.942 1.00 62.31 C ATOM 95 CZ PHE A 8 4.703 -4.954 10.549 1.00 5.44 C ATOM 0 H PHE A 8 3.132 -7.911 4.715 1.00 72.42 H new ATOM 0 HA PHE A 8 4.825 -8.432 6.874 1.00 33.22 H new ATOM 0 HB2 PHE A 8 4.325 -6.192 5.979 1.00 73.12 H new ATOM 0 HB3 PHE A 8 2.655 -6.332 6.491 1.00 73.12 H new ATOM 0 HD1 PHE A 8 5.903 -7.066 8.216 1.00 41.03 H new ATOM 0 HD2 PHE A 8 2.251 -4.874 8.242 1.00 53.15 H new ATOM 0 HE1 PHE A 8 6.493 -6.112 10.401 1.00 12.01 H new ATOM 0 HE2 PHE A 8 2.838 -3.917 10.427 1.00 62.31 H new ATOM 0 HZ PHE A 8 4.963 -4.533 11.509 1.00 5.44 H new ATOM 105 N THR A 9 1.605 -8.756 7.555 1.00 2.44 N ATOM 106 CA THR A 9 0.661 -9.316 8.514 1.00 4.33 C ATOM 107 C THR A 9 0.851 -10.822 8.657 1.00 55.44 C ATOM 108 O THR A 9 1.018 -11.336 9.763 1.00 12.41 O ATOM 109 CB THR A 9 -0.795 -9.029 8.102 1.00 22.21 C ATOM 110 OG1 THR A 9 -0.951 -7.641 7.789 1.00 13.32 O ATOM 111 CG2 THR A 9 -1.758 -9.415 9.215 1.00 60.35 C ATOM 0 H THR A 9 1.173 -8.364 6.718 1.00 2.44 H new ATOM 0 HA THR A 9 0.860 -8.835 9.472 1.00 4.33 H new ATOM 0 HB THR A 9 -1.025 -9.627 7.220 1.00 22.21 H new ATOM 0 HG1 THR A 9 -0.593 -7.465 6.894 1.00 13.32 H new ATOM 0 HG21 THR A 9 -2.780 -9.203 8.901 1.00 60.35 H new ATOM 0 HG22 THR A 9 -1.657 -10.479 9.430 1.00 60.35 H new ATOM 0 HG23 THR A 9 -1.527 -8.840 10.112 1.00 60.35 H new ATOM 119 N THR A 10 0.824 -11.526 7.529 1.00 12.13 N ATOM 120 CA THR A 10 0.992 -12.974 7.528 1.00 12.44 C ATOM 121 C THR A 10 2.327 -13.372 8.147 1.00 33.50 C ATOM 122 O THR A 10 2.438 -14.417 8.789 1.00 62.44 O ATOM 123 CB THR A 10 0.908 -13.548 6.102 1.00 70.03 C ATOM 124 OG1 THR A 10 -0.377 -13.267 5.535 1.00 4.20 O ATOM 125 CG2 THR A 10 1.147 -15.050 6.108 1.00 21.33 C ATOM 0 H THR A 10 0.687 -11.117 6.605 1.00 12.13 H new ATOM 0 HA THR A 10 0.180 -13.388 8.126 1.00 12.44 H new ATOM 0 HB THR A 10 1.682 -13.075 5.498 1.00 70.03 H new ATOM 0 HG1 THR A 10 -0.456 -12.305 5.365 1.00 4.20 H new ATOM 0 HG21 THR A 10 1.083 -15.433 5.089 1.00 21.33 H new ATOM 0 HG22 THR A 10 2.137 -15.259 6.512 1.00 21.33 H new ATOM 0 HG23 THR A 10 0.392 -15.536 6.727 1.00 21.33 H new ATOM 133 N LYS A 11 3.338 -12.534 7.951 1.00 4.32 N ATOM 134 CA LYS A 11 4.667 -12.797 8.491 1.00 32.15 C ATOM 135 C LYS A 11 4.723 -12.471 9.980 1.00 1.25 C ATOM 136 O LYS A 11 5.514 -13.053 10.725 1.00 54.05 O ATOM 137 CB LYS A 11 5.718 -11.978 7.739 1.00 54.41 C ATOM 138 CG LYS A 11 6.096 -12.565 6.390 1.00 33.12 C ATOM 139 CD LYS A 11 7.106 -11.692 5.665 1.00 25.34 C ATOM 140 CE LYS A 11 7.983 -12.513 4.731 1.00 55.40 C ATOM 141 NZ LYS A 11 8.933 -13.379 5.481 1.00 64.54 N ATOM 0 H LYS A 11 3.263 -11.665 7.421 1.00 4.32 H new ATOM 0 HA LYS A 11 4.881 -13.858 8.360 1.00 32.15 H new ATOM 0 HB2 LYS A 11 5.341 -10.966 7.593 1.00 54.41 H new ATOM 0 HB3 LYS A 11 6.614 -11.899 8.355 1.00 54.41 H new ATOM 0 HG2 LYS A 11 6.511 -13.563 6.530 1.00 33.12 H new ATOM 0 HG3 LYS A 11 5.202 -12.675 5.776 1.00 33.12 H new ATOM 0 HD2 LYS A 11 6.582 -10.925 5.094 1.00 25.34 H new ATOM 0 HD3 LYS A 11 7.732 -11.176 6.393 1.00 25.34 H new ATOM 0 HE2 LYS A 11 7.353 -13.133 4.093 1.00 55.40 H new ATOM 0 HE3 LYS A 11 8.541 -11.844 4.076 1.00 55.40 H new ATOM 0 HZ1 LYS A 11 9.718 -13.655 4.857 1.00 64.54 H new ATOM 0 HZ2 LYS A 11 9.308 -12.857 6.299 1.00 64.54 H new ATOM 0 HZ3 LYS A 11 8.438 -14.232 5.812 1.00 64.54 H new ATOM 155 N LEU A 12 3.880 -11.539 10.409 1.00 13.54 N ATOM 156 CA LEU A 12 3.832 -11.136 11.811 1.00 43.12 C ATOM 157 C LEU A 12 3.214 -12.233 12.672 1.00 54.53 C ATOM 158 O LEU A 12 3.698 -12.525 13.764 1.00 12.12 O ATOM 159 CB LEU A 12 3.033 -9.840 11.963 1.00 63.41 C ATOM 160 CG LEU A 12 3.792 -8.545 11.672 1.00 65.53 C ATOM 161 CD1 LEU A 12 2.831 -7.449 11.240 1.00 44.22 C ATOM 162 CD2 LEU A 12 4.589 -8.108 12.892 1.00 24.52 C ATOM 0 H LEU A 12 3.220 -11.048 9.806 1.00 13.54 H new ATOM 0 HA LEU A 12 4.854 -10.967 12.150 1.00 43.12 H new ATOM 0 HB2 LEU A 12 2.170 -9.889 11.299 1.00 63.41 H new ATOM 0 HB3 LEU A 12 2.649 -9.791 12.982 1.00 63.41 H new ATOM 0 HG LEU A 12 4.489 -8.731 10.855 1.00 65.53 H new ATOM 0 HD11 LEU A 12 3.389 -6.535 11.037 1.00 44.22 H new ATOM 0 HD12 LEU A 12 2.305 -7.761 10.338 1.00 44.22 H new ATOM 0 HD13 LEU A 12 2.109 -7.264 12.035 1.00 44.22 H new ATOM 0 HD21 LEU A 12 5.123 -7.185 12.666 1.00 24.52 H new ATOM 0 HD22 LEU A 12 3.911 -7.940 13.729 1.00 24.52 H new ATOM 0 HD23 LEU A 12 5.305 -8.886 13.156 1.00 24.52 H new ATOM 174 N ASN A 13 2.142 -12.837 12.170 1.00 35.33 N ATOM 175 CA ASN A 13 1.457 -13.903 12.893 1.00 63.40 C ATOM 176 C ASN A 13 2.211 -15.223 12.757 1.00 75.20 C ATOM 177 O ASN A 13 1.802 -16.245 13.310 1.00 55.21 O ATOM 178 CB ASN A 13 0.027 -14.064 12.374 1.00 41.44 C ATOM 179 CG ASN A 13 -0.015 -14.531 10.931 1.00 13.05 C ATOM 180 OD1 ASN A 13 0.808 -15.341 10.505 1.00 33.35 O ATOM 181 ND2 ASN A 13 -0.978 -14.020 10.172 1.00 23.23 N ATOM 0 H ASN A 13 1.729 -12.607 11.266 1.00 35.33 H new ATOM 0 HA ASN A 13 1.424 -13.630 13.948 1.00 63.40 H new ATOM 0 HB2 ASN A 13 -0.506 -14.780 13.000 1.00 41.44 H new ATOM 0 HB3 ASN A 13 -0.497 -13.112 12.461 1.00 41.44 H new ATOM 0 HD21 ASN A 13 -1.057 -14.297 9.193 1.00 23.23 H new ATOM 0 HD22 ASN A 13 -1.639 -13.351 10.568 1.00 23.23 H new ATOM 188 N THR A 14 3.315 -15.195 12.017 1.00 12.42 N ATOM 189 CA THR A 14 4.125 -16.388 11.808 1.00 44.44 C ATOM 190 C THR A 14 5.556 -16.172 12.288 1.00 12.31 C ATOM 191 O THR A 14 6.459 -16.935 11.944 1.00 21.32 O ATOM 192 CB THR A 14 4.151 -16.796 10.322 1.00 11.45 C ATOM 193 OG1 THR A 14 4.539 -15.679 9.514 1.00 23.32 O ATOM 194 CG2 THR A 14 2.787 -17.301 9.877 1.00 50.24 C ATOM 0 H THR A 14 3.668 -14.359 11.552 1.00 12.42 H new ATOM 0 HA THR A 14 3.666 -17.188 12.389 1.00 44.44 H new ATOM 0 HB THR A 14 4.876 -17.600 10.201 1.00 11.45 H new ATOM 0 HG1 THR A 14 3.832 -15.001 9.533 1.00 23.32 H new ATOM 0 HG21 THR A 14 2.829 -17.583 8.825 1.00 50.24 H new ATOM 0 HG22 THR A 14 2.508 -18.169 10.475 1.00 50.24 H new ATOM 0 HG23 THR A 14 2.046 -16.513 10.012 1.00 50.24 H new ATOM 202 N LEU A 15 5.756 -15.128 13.085 1.00 31.24 N ATOM 203 CA LEU A 15 7.078 -14.812 13.615 1.00 61.13 C ATOM 204 C LEU A 15 7.191 -15.224 15.079 1.00 63.31 C ATOM 205 O LEU A 15 6.215 -15.169 15.826 1.00 70.43 O ATOM 206 CB LEU A 15 7.362 -13.316 13.471 1.00 44.02 C ATOM 207 CG LEU A 15 6.908 -12.432 14.633 1.00 44.33 C ATOM 208 CD1 LEU A 15 8.009 -12.314 15.675 1.00 0.24 C ATOM 209 CD2 LEU A 15 6.500 -11.056 14.128 1.00 40.54 C ATOM 0 H LEU A 15 5.020 -14.486 13.378 1.00 31.24 H new ATOM 0 HA LEU A 15 7.816 -15.373 13.041 1.00 61.13 H new ATOM 0 HB2 LEU A 15 8.435 -13.182 13.336 1.00 44.02 H new ATOM 0 HB3 LEU A 15 6.879 -12.961 12.560 1.00 44.02 H new ATOM 0 HG LEU A 15 6.041 -12.897 15.101 1.00 44.33 H new ATOM 0 HD11 LEU A 15 7.668 -11.681 16.494 1.00 0.24 H new ATOM 0 HD12 LEU A 15 8.254 -13.304 16.059 1.00 0.24 H new ATOM 0 HD13 LEU A 15 8.895 -11.872 15.220 1.00 0.24 H new ATOM 0 HD21 LEU A 15 6.180 -10.440 14.968 1.00 40.54 H new ATOM 0 HD22 LEU A 15 7.349 -10.583 13.634 1.00 40.54 H new ATOM 0 HD23 LEU A 15 5.679 -11.158 13.419 1.00 40.54 H new ATOM 221 N GLU A 16 8.390 -15.635 15.482 1.00 52.21 N ATOM 222 CA GLU A 16 8.630 -16.055 16.857 1.00 11.35 C ATOM 223 C GLU A 16 9.509 -15.045 17.589 1.00 44.41 C ATOM 224 O GLU A 16 9.922 -14.036 17.017 1.00 44.14 O ATOM 225 CB GLU A 16 9.289 -17.435 16.885 1.00 32.41 C ATOM 226 CG GLU A 16 8.569 -18.471 16.037 1.00 14.55 C ATOM 227 CD GLU A 16 9.297 -19.800 15.996 1.00 1.20 C ATOM 228 OE1 GLU A 16 10.543 -19.792 15.920 1.00 44.15 O ATOM 229 OE2 GLU A 16 8.620 -20.848 16.040 1.00 30.34 O ATOM 0 H GLU A 16 9.209 -15.686 14.876 1.00 52.21 H new ATOM 0 HA GLU A 16 7.668 -16.110 17.366 1.00 11.35 H new ATOM 0 HB2 GLU A 16 10.318 -17.344 16.537 1.00 32.41 H new ATOM 0 HB3 GLU A 16 9.331 -17.787 17.916 1.00 32.41 H new ATOM 0 HG2 GLU A 16 7.564 -18.623 16.432 1.00 14.55 H new ATOM 0 HG3 GLU A 16 8.458 -18.090 15.022 1.00 14.55 H new ATOM 236 N ASP A 17 9.791 -15.323 18.857 1.00 60.31 N ATOM 237 CA ASP A 17 10.622 -14.440 19.668 1.00 74.44 C ATOM 238 C ASP A 17 12.069 -14.921 19.686 1.00 62.14 C ATOM 239 O ASP A 17 12.471 -15.681 20.567 1.00 14.42 O ATOM 240 CB ASP A 17 10.079 -14.363 21.095 1.00 31.54 C ATOM 241 CG ASP A 17 11.050 -13.695 22.049 1.00 61.33 C ATOM 242 OD1 ASP A 17 11.062 -12.448 22.107 1.00 53.34 O ATOM 243 OD2 ASP A 17 11.798 -14.420 22.738 1.00 71.04 O ATOM 0 H ASP A 17 9.456 -16.153 19.346 1.00 60.31 H new ATOM 0 HA ASP A 17 10.595 -13.445 19.223 1.00 74.44 H new ATOM 0 HB2 ASP A 17 9.139 -13.812 21.093 1.00 31.54 H new ATOM 0 HB3 ASP A 17 9.858 -15.369 21.451 1.00 31.54 H new ATOM 248 N SER A 18 12.848 -14.474 18.706 1.00 61.14 N ATOM 249 CA SER A 18 14.250 -14.863 18.606 1.00 41.41 C ATOM 250 C SER A 18 15.078 -13.750 17.969 1.00 30.42 C ATOM 251 O SER A 18 14.593 -13.018 17.107 1.00 23.11 O ATOM 252 CB SER A 18 14.388 -16.148 17.788 1.00 21.45 C ATOM 253 OG SER A 18 15.631 -16.190 17.109 1.00 22.15 O ATOM 0 H SER A 18 12.532 -13.842 17.970 1.00 61.14 H new ATOM 0 HA SER A 18 14.625 -15.041 19.614 1.00 41.41 H new ATOM 0 HB2 SER A 18 14.300 -17.013 18.446 1.00 21.45 H new ATOM 0 HB3 SER A 18 13.574 -16.213 17.066 1.00 21.45 H new ATOM 0 HG SER A 18 15.695 -17.022 16.595 1.00 22.15 H new ATOM 259 N GLN A 19 16.329 -13.631 18.401 1.00 23.43 N ATOM 260 CA GLN A 19 17.225 -12.608 17.874 1.00 32.44 C ATOM 261 C GLN A 19 17.271 -12.657 16.351 1.00 73.53 C ATOM 262 O GLN A 19 17.241 -11.622 15.686 1.00 33.24 O ATOM 263 CB GLN A 19 18.632 -12.790 18.445 1.00 44.10 C ATOM 264 CG GLN A 19 18.817 -12.167 19.819 1.00 13.23 C ATOM 265 CD GLN A 19 19.098 -10.679 19.752 1.00 4.24 C ATOM 266 OE1 GLN A 19 20.251 -10.250 19.820 1.00 54.44 O ATOM 267 NE2 GLN A 19 18.045 -9.882 19.619 1.00 15.11 N ATOM 0 H GLN A 19 16.745 -14.230 19.114 1.00 23.43 H new ATOM 0 HA GLN A 19 16.841 -11.634 18.176 1.00 32.44 H new ATOM 0 HB2 GLN A 19 18.855 -13.855 18.505 1.00 44.10 H new ATOM 0 HB3 GLN A 19 19.354 -12.351 17.756 1.00 44.10 H new ATOM 0 HG2 GLN A 19 17.920 -12.337 20.415 1.00 13.23 H new ATOM 0 HG3 GLN A 19 19.639 -12.665 20.332 1.00 13.23 H new ATOM 0 HE21 GLN A 19 17.107 -10.280 19.567 1.00 15.11 H new ATOM 0 HE22 GLN A 19 18.173 -8.871 19.569 1.00 15.11 H new ATOM 276 N GLU A 20 17.344 -13.867 15.804 1.00 21.23 N ATOM 277 CA GLU A 20 17.395 -14.050 14.359 1.00 45.24 C ATOM 278 C GLU A 20 16.018 -13.844 13.735 1.00 71.40 C ATOM 279 O GLU A 20 15.892 -13.249 12.665 1.00 14.32 O ATOM 280 CB GLU A 20 17.919 -15.446 14.017 1.00 61.32 C ATOM 281 CG GLU A 20 18.318 -15.607 12.560 1.00 41.05 C ATOM 282 CD GLU A 20 19.682 -15.016 12.260 1.00 70.04 C ATOM 283 OE1 GLU A 20 20.638 -15.325 13.002 1.00 52.41 O ATOM 284 OE2 GLU A 20 19.794 -14.245 11.283 1.00 33.45 O ATOM 0 H GLU A 20 17.369 -14.734 16.340 1.00 21.23 H new ATOM 0 HA GLU A 20 18.076 -13.304 13.948 1.00 45.24 H new ATOM 0 HB2 GLU A 20 18.781 -15.666 14.647 1.00 61.32 H new ATOM 0 HB3 GLU A 20 17.152 -16.182 14.258 1.00 61.32 H new ATOM 0 HG2 GLU A 20 18.321 -16.666 12.303 1.00 41.05 H new ATOM 0 HG3 GLU A 20 17.571 -15.127 11.927 1.00 41.05 H new ATOM 291 N SER A 21 14.988 -14.343 14.412 1.00 42.22 N ATOM 292 CA SER A 21 13.620 -14.219 13.923 1.00 40.51 C ATOM 293 C SER A 21 13.232 -12.752 13.761 1.00 1.11 C ATOM 294 O SER A 21 12.734 -12.343 12.712 1.00 51.30 O ATOM 295 CB SER A 21 12.649 -14.912 14.880 1.00 31.03 C ATOM 296 OG SER A 21 12.730 -16.321 14.756 1.00 35.32 O ATOM 0 H SER A 21 15.075 -14.837 15.300 1.00 42.22 H new ATOM 0 HA SER A 21 13.564 -14.702 12.947 1.00 40.51 H new ATOM 0 HB2 SER A 21 12.874 -14.620 15.906 1.00 31.03 H new ATOM 0 HB3 SER A 21 11.631 -14.583 14.671 1.00 31.03 H new ATOM 0 HG SER A 21 12.101 -16.741 15.379 1.00 35.32 H new ATOM 302 N ILE A 22 13.464 -11.966 14.807 1.00 23.21 N ATOM 303 CA ILE A 22 13.141 -10.545 14.781 1.00 35.34 C ATOM 304 C ILE A 22 13.912 -9.826 13.680 1.00 14.31 C ATOM 305 O ILE A 22 13.395 -8.905 13.047 1.00 64.03 O ATOM 306 CB ILE A 22 13.449 -9.873 16.132 1.00 4.02 C ATOM 307 CG1 ILE A 22 12.597 -10.493 17.242 1.00 41.53 C ATOM 308 CG2 ILE A 22 13.207 -8.374 16.045 1.00 11.42 C ATOM 309 CD1 ILE A 22 11.115 -10.243 17.076 1.00 55.44 C ATOM 0 H ILE A 22 13.874 -12.289 15.683 1.00 23.21 H new ATOM 0 HA ILE A 22 12.072 -10.468 14.582 1.00 35.34 H new ATOM 0 HB ILE A 22 14.499 -10.038 16.372 1.00 4.02 H new ATOM 0 HG12 ILE A 22 12.775 -11.568 17.268 1.00 41.53 H new ATOM 0 HG13 ILE A 22 12.919 -10.093 18.203 1.00 41.53 H new ATOM 0 HG21 ILE A 22 13.429 -7.913 17.008 1.00 11.42 H new ATOM 0 HG22 ILE A 22 13.854 -7.945 15.279 1.00 11.42 H new ATOM 0 HG23 ILE A 22 12.165 -8.188 15.786 1.00 11.42 H new ATOM 0 HD11 ILE A 22 10.573 -10.711 17.898 1.00 55.44 H new ATOM 0 HD12 ILE A 22 10.924 -9.170 17.080 1.00 55.44 H new ATOM 0 HD13 ILE A 22 10.778 -10.668 16.131 1.00 55.44 H new ATOM 321 N SER A 23 15.150 -10.253 13.456 1.00 61.10 N ATOM 322 CA SER A 23 15.994 -9.648 12.432 1.00 71.40 C ATOM 323 C SER A 23 15.558 -10.090 11.038 1.00 32.02 C ATOM 324 O SER A 23 15.717 -9.355 10.064 1.00 44.02 O ATOM 325 CB SER A 23 17.459 -10.022 12.663 1.00 64.24 C ATOM 326 OG SER A 23 18.217 -9.872 11.475 1.00 41.54 O ATOM 0 H SER A 23 15.591 -11.016 13.970 1.00 61.10 H new ATOM 0 HA SER A 23 15.887 -8.565 12.501 1.00 71.40 H new ATOM 0 HB2 SER A 23 17.879 -9.393 13.448 1.00 64.24 H new ATOM 0 HB3 SER A 23 17.524 -11.053 13.012 1.00 64.24 H new ATOM 0 HG SER A 23 19.150 -10.116 11.649 1.00 41.54 H new ATOM 332 N SER A 24 15.006 -11.296 10.952 1.00 24.41 N ATOM 333 CA SER A 24 14.550 -11.839 9.678 1.00 63.21 C ATOM 334 C SER A 24 13.466 -10.956 9.068 1.00 1.10 C ATOM 335 O SER A 24 13.543 -10.578 7.900 1.00 51.54 O ATOM 336 CB SER A 24 14.019 -13.262 9.866 1.00 1.52 C ATOM 337 OG SER A 24 13.889 -13.926 8.621 1.00 33.24 O ATOM 0 H SER A 24 14.864 -11.916 11.750 1.00 24.41 H new ATOM 0 HA SER A 24 15.400 -11.864 8.997 1.00 63.21 H new ATOM 0 HB2 SER A 24 14.694 -13.823 10.512 1.00 1.52 H new ATOM 0 HB3 SER A 24 13.052 -13.229 10.367 1.00 1.52 H new ATOM 0 HG SER A 24 13.550 -14.834 8.768 1.00 33.24 H new ATOM 343 N ALA A 25 12.456 -10.631 9.869 1.00 63.32 N ATOM 344 CA ALA A 25 11.357 -9.791 9.410 1.00 61.30 C ATOM 345 C ALA A 25 11.758 -8.320 9.399 1.00 61.14 C ATOM 346 O ALA A 25 11.420 -7.582 8.473 1.00 10.25 O ATOM 347 CB ALA A 25 10.132 -9.999 10.288 1.00 72.54 C ATOM 0 H ALA A 25 12.377 -10.937 10.839 1.00 63.32 H new ATOM 0 HA ALA A 25 11.112 -10.082 8.388 1.00 61.30 H new ATOM 0 HB1 ALA A 25 9.319 -9.365 9.934 1.00 72.54 H new ATOM 0 HB2 ALA A 25 9.825 -11.044 10.242 1.00 72.54 H new ATOM 0 HB3 ALA A 25 10.374 -9.737 11.318 1.00 72.54 H new ATOM 353 N SER A 26 12.480 -7.900 10.433 1.00 63.34 N ATOM 354 CA SER A 26 12.924 -6.516 10.543 1.00 14.45 C ATOM 355 C SER A 26 13.676 -6.084 9.288 1.00 13.32 C ATOM 356 O SER A 26 13.442 -5.001 8.752 1.00 40.44 O ATOM 357 CB SER A 26 13.817 -6.341 11.773 1.00 44.13 C ATOM 358 OG SER A 26 13.043 -6.211 12.952 1.00 12.12 O ATOM 0 H SER A 26 12.770 -8.499 11.206 1.00 63.34 H new ATOM 0 HA SER A 26 12.042 -5.885 10.651 1.00 14.45 H new ATOM 0 HB2 SER A 26 14.485 -7.197 11.866 1.00 44.13 H new ATOM 0 HB3 SER A 26 14.445 -5.459 11.648 1.00 44.13 H new ATOM 0 HG SER A 26 12.544 -5.368 12.924 1.00 12.12 H new ATOM 364 N LYS A 27 14.581 -6.939 8.825 1.00 74.22 N ATOM 365 CA LYS A 27 15.368 -6.649 7.632 1.00 32.52 C ATOM 366 C LYS A 27 14.462 -6.365 6.438 1.00 2.44 C ATOM 367 O LYS A 27 14.726 -5.456 5.650 1.00 30.44 O ATOM 368 CB LYS A 27 16.297 -7.822 7.312 1.00 24.33 C ATOM 369 CG LYS A 27 17.739 -7.587 7.728 1.00 42.44 C ATOM 370 CD LYS A 27 17.891 -7.587 9.240 1.00 41.35 C ATOM 371 CE LYS A 27 19.198 -6.937 9.668 1.00 13.15 C ATOM 372 NZ LYS A 27 19.276 -6.772 11.146 1.00 1.33 N ATOM 0 H LYS A 27 14.788 -7.839 9.258 1.00 74.22 H new ATOM 0 HA LYS A 27 15.968 -5.761 7.830 1.00 32.52 H new ATOM 0 HB2 LYS A 27 15.925 -8.716 7.812 1.00 24.33 H new ATOM 0 HB3 LYS A 27 16.264 -8.019 6.240 1.00 24.33 H new ATOM 0 HG2 LYS A 27 18.373 -8.362 7.298 1.00 42.44 H new ATOM 0 HG3 LYS A 27 18.083 -6.634 7.327 1.00 42.44 H new ATOM 0 HD2 LYS A 27 17.054 -7.055 9.691 1.00 41.35 H new ATOM 0 HD3 LYS A 27 17.854 -8.611 9.611 1.00 41.35 H new ATOM 0 HE2 LYS A 27 20.035 -7.545 9.326 1.00 13.15 H new ATOM 0 HE3 LYS A 27 19.294 -5.963 9.188 1.00 13.15 H new ATOM 0 HZ1 LYS A 27 20.252 -6.535 11.418 1.00 1.33 H new ATOM 0 HZ2 LYS A 27 18.638 -6.007 11.444 1.00 1.33 H new ATOM 0 HZ3 LYS A 27 18.993 -7.659 11.610 1.00 1.33 H new ATOM 386 N TRP A 28 13.395 -7.144 6.312 1.00 33.53 N ATOM 387 CA TRP A 28 12.449 -6.974 5.215 1.00 63.23 C ATOM 388 C TRP A 28 11.721 -5.639 5.326 1.00 63.24 C ATOM 389 O TRP A 28 11.532 -4.939 4.330 1.00 63.22 O ATOM 390 CB TRP A 28 11.438 -8.121 5.203 1.00 32.51 C ATOM 391 CG TRP A 28 10.454 -8.035 4.075 1.00 5.03 C ATOM 392 CD1 TRP A 28 10.724 -8.154 2.742 1.00 43.32 C ATOM 393 CD2 TRP A 28 9.045 -7.809 4.183 1.00 73.31 C ATOM 394 NE1 TRP A 28 9.567 -8.015 2.014 1.00 61.31 N ATOM 395 CE2 TRP A 28 8.523 -7.804 2.875 1.00 74.14 C ATOM 396 CE3 TRP A 28 8.172 -7.613 5.257 1.00 64.21 C ATOM 397 CZ2 TRP A 28 7.169 -7.609 2.615 1.00 72.24 C ATOM 398 CZ3 TRP A 28 6.829 -7.420 4.997 1.00 1.41 C ATOM 399 CH2 TRP A 28 6.338 -7.420 3.685 1.00 55.51 C ATOM 0 H TRP A 28 13.162 -7.900 6.956 1.00 33.53 H new ATOM 0 HA TRP A 28 13.010 -6.984 4.280 1.00 63.23 H new ATOM 0 HB2 TRP A 28 11.974 -9.068 5.136 1.00 32.51 H new ATOM 0 HB3 TRP A 28 10.896 -8.128 6.149 1.00 32.51 H new ATOM 0 HD1 TRP A 28 11.703 -8.331 2.322 1.00 43.32 H new ATOM 0 HE1 TRP A 28 9.497 -8.061 0.997 1.00 61.31 H new ATOM 0 HE3 TRP A 28 8.541 -7.612 6.272 1.00 64.21 H new ATOM 0 HZ2 TRP A 28 6.788 -7.607 1.604 1.00 72.24 H new ATOM 0 HZ3 TRP A 28 6.146 -7.266 5.819 1.00 1.41 H new ATOM 0 HH2 TRP A 28 5.282 -7.268 3.515 1.00 55.51 H new ATOM 410 N LEU A 29 11.315 -5.291 6.541 1.00 34.34 N ATOM 411 CA LEU A 29 10.607 -4.039 6.782 1.00 11.51 C ATOM 412 C LEU A 29 11.485 -2.841 6.433 1.00 22.24 C ATOM 413 O LEU A 29 10.993 -1.808 5.978 1.00 32.00 O ATOM 414 CB LEU A 29 10.165 -3.953 8.244 1.00 54.41 C ATOM 415 CG LEU A 29 8.858 -4.667 8.593 1.00 4.21 C ATOM 416 CD1 LEU A 29 8.865 -5.110 10.048 1.00 72.22 C ATOM 417 CD2 LEU A 29 7.666 -3.764 8.314 1.00 13.21 C ATOM 0 H LEU A 29 11.464 -5.858 7.375 1.00 34.34 H new ATOM 0 HA LEU A 29 9.726 -4.020 6.141 1.00 11.51 H new ATOM 0 HB2 LEU A 29 10.958 -4.365 8.868 1.00 54.41 H new ATOM 0 HB3 LEU A 29 10.064 -2.901 8.511 1.00 54.41 H new ATOM 0 HG LEU A 29 8.771 -5.553 7.965 1.00 4.21 H new ATOM 0 HD11 LEU A 29 7.928 -5.616 10.279 1.00 72.22 H new ATOM 0 HD12 LEU A 29 9.697 -5.793 10.216 1.00 72.22 H new ATOM 0 HD13 LEU A 29 8.975 -4.238 10.693 1.00 72.22 H new ATOM 0 HD21 LEU A 29 6.745 -4.288 8.568 1.00 13.21 H new ATOM 0 HD22 LEU A 29 7.746 -2.859 8.916 1.00 13.21 H new ATOM 0 HD23 LEU A 29 7.652 -3.497 7.257 1.00 13.21 H new ATOM 429 N LEU A 30 12.788 -2.987 6.648 1.00 70.50 N ATOM 430 CA LEU A 30 13.736 -1.919 6.354 1.00 5.32 C ATOM 431 C LEU A 30 13.630 -1.481 4.897 1.00 75.00 C ATOM 432 O LEU A 30 13.680 -0.289 4.590 1.00 22.12 O ATOM 433 CB LEU A 30 15.163 -2.379 6.657 1.00 65.11 C ATOM 434 CG LEU A 30 16.068 -1.355 7.343 1.00 12.23 C ATOM 435 CD1 LEU A 30 16.061 -0.040 6.579 1.00 11.23 C ATOM 436 CD2 LEU A 30 15.631 -1.139 8.785 1.00 54.52 C ATOM 0 H LEU A 30 13.212 -3.835 7.025 1.00 70.50 H new ATOM 0 HA LEU A 30 13.492 -1.067 6.989 1.00 5.32 H new ATOM 0 HB2 LEU A 30 15.111 -3.267 7.287 1.00 65.11 H new ATOM 0 HB3 LEU A 30 15.633 -2.679 5.720 1.00 65.11 H new ATOM 0 HG LEU A 30 17.086 -1.743 7.347 1.00 12.23 H new ATOM 0 HD11 LEU A 30 16.710 0.676 7.082 1.00 11.23 H new ATOM 0 HD12 LEU A 30 16.422 -0.207 5.564 1.00 11.23 H new ATOM 0 HD13 LEU A 30 15.045 0.354 6.543 1.00 11.23 H new ATOM 0 HD21 LEU A 30 16.286 -0.407 9.258 1.00 54.52 H new ATOM 0 HD22 LEU A 30 14.605 -0.772 8.803 1.00 54.52 H new ATOM 0 HD23 LEU A 30 15.689 -2.082 9.328 1.00 54.52 H new ATOM 448 N LEU A 31 13.479 -2.452 4.003 1.00 43.23 N ATOM 449 CA LEU A 31 13.362 -2.167 2.577 1.00 64.13 C ATOM 450 C LEU A 31 12.029 -1.495 2.263 1.00 23.41 C ATOM 451 O LEU A 31 11.820 -0.998 1.157 1.00 0.32 O ATOM 452 CB LEU A 31 13.500 -3.457 1.766 1.00 33.01 C ATOM 453 CG LEU A 31 14.927 -3.946 1.520 1.00 24.42 C ATOM 454 CD1 LEU A 31 15.472 -4.646 2.756 1.00 42.31 C ATOM 455 CD2 LEU A 31 14.973 -4.875 0.316 1.00 73.42 C ATOM 0 H LEU A 31 13.435 -3.443 4.240 1.00 43.23 H new ATOM 0 HA LEU A 31 14.165 -1.484 2.301 1.00 64.13 H new ATOM 0 HB2 LEU A 31 12.951 -4.246 2.280 1.00 33.01 H new ATOM 0 HB3 LEU A 31 13.017 -3.309 0.800 1.00 33.01 H new ATOM 0 HG LEU A 31 15.556 -3.081 1.310 1.00 24.42 H new ATOM 0 HD11 LEU A 31 16.489 -4.987 2.562 1.00 42.31 H new ATOM 0 HD12 LEU A 31 15.476 -3.951 3.596 1.00 42.31 H new ATOM 0 HD13 LEU A 31 14.842 -5.502 2.997 1.00 42.31 H new ATOM 0 HD21 LEU A 31 15.997 -5.213 0.156 1.00 73.42 H new ATOM 0 HD22 LEU A 31 14.330 -5.737 0.497 1.00 73.42 H new ATOM 0 HD23 LEU A 31 14.625 -4.342 -0.569 1.00 73.42 H new ATOM 467 N GLN A 32 11.133 -1.484 3.244 1.00 10.13 N ATOM 468 CA GLN A 32 9.821 -0.872 3.073 1.00 51.44 C ATOM 469 C GLN A 32 9.818 0.564 3.588 1.00 23.21 C ATOM 470 O GLN A 32 8.791 1.070 4.040 1.00 31.45 O ATOM 471 CB GLN A 32 8.754 -1.690 3.801 1.00 15.25 C ATOM 472 CG GLN A 32 8.754 -3.163 3.425 1.00 12.33 C ATOM 473 CD GLN A 32 8.722 -3.382 1.926 1.00 63.03 C ATOM 474 OE1 GLN A 32 8.254 -2.528 1.171 1.00 25.45 O ATOM 475 NE2 GLN A 32 9.221 -4.531 1.484 1.00 5.35 N ATOM 0 H GLN A 32 11.292 -1.892 4.165 1.00 10.13 H new ATOM 0 HA GLN A 32 9.592 -0.857 2.007 1.00 51.44 H new ATOM 0 HB2 GLN A 32 8.909 -1.598 4.876 1.00 15.25 H new ATOM 0 HB3 GLN A 32 7.773 -1.268 3.583 1.00 15.25 H new ATOM 0 HG2 GLN A 32 9.642 -3.640 3.839 1.00 12.33 H new ATOM 0 HG3 GLN A 32 7.890 -3.650 3.878 1.00 12.33 H new ATOM 0 HE21 GLN A 32 9.599 -5.211 2.144 1.00 5.35 H new ATOM 0 HE22 GLN A 32 9.226 -4.734 0.484 1.00 5.35 H new ATOM 484 N TYR A 33 10.974 1.215 3.517 1.00 21.51 N ATOM 485 CA TYR A 33 11.106 2.591 3.979 1.00 12.14 C ATOM 486 C TYR A 33 10.087 3.496 3.293 1.00 42.10 C ATOM 487 O TYR A 33 9.681 4.520 3.842 1.00 40.41 O ATOM 488 CB TYR A 33 12.522 3.106 3.716 1.00 53.40 C ATOM 489 CG TYR A 33 12.781 3.452 2.267 1.00 74.42 C ATOM 490 CD1 TYR A 33 12.857 2.458 1.299 1.00 73.33 C ATOM 491 CD2 TYR A 33 12.950 4.771 1.866 1.00 61.11 C ATOM 492 CE1 TYR A 33 13.094 2.768 -0.026 1.00 52.15 C ATOM 493 CE2 TYR A 33 13.186 5.091 0.543 1.00 60.31 C ATOM 494 CZ TYR A 33 13.257 4.086 -0.399 1.00 63.14 C ATOM 495 OH TYR A 33 13.494 4.400 -1.718 1.00 54.31 O ATOM 0 H TYR A 33 11.833 0.811 3.144 1.00 21.51 H new ATOM 0 HA TYR A 33 10.915 2.607 5.052 1.00 12.14 H new ATOM 0 HB2 TYR A 33 12.698 3.990 4.329 1.00 53.40 H new ATOM 0 HB3 TYR A 33 13.240 2.350 4.034 1.00 53.40 H new ATOM 0 HD1 TYR A 33 12.729 1.425 1.588 1.00 73.33 H new ATOM 0 HD2 TYR A 33 12.896 5.560 2.601 1.00 61.11 H new ATOM 0 HE1 TYR A 33 13.151 1.983 -0.766 1.00 52.15 H new ATOM 0 HE2 TYR A 33 13.314 6.122 0.248 1.00 60.31 H new ATOM 0 HH TYR A 33 13.584 5.371 -1.812 1.00 54.31 H new ATOM 505 N ARG A 34 9.678 3.109 2.089 1.00 5.20 N ATOM 506 CA ARG A 34 8.708 3.885 1.326 1.00 31.30 C ATOM 507 C ARG A 34 7.314 3.762 1.935 1.00 22.21 C ATOM 508 O ARG A 34 6.497 4.677 1.830 1.00 61.40 O ATOM 509 CB ARG A 34 8.682 3.418 -0.131 1.00 4.23 C ATOM 510 CG ARG A 34 9.814 3.986 -0.972 1.00 12.21 C ATOM 511 CD ARG A 34 9.402 4.141 -2.428 1.00 0.24 C ATOM 512 NE ARG A 34 10.498 4.634 -3.257 1.00 3.20 N ATOM 513 CZ ARG A 34 10.338 5.083 -4.497 1.00 35.21 C ATOM 514 NH1 ARG A 34 9.132 5.101 -5.048 1.00 34.22 N ATOM 515 NH2 ARG A 34 11.384 5.515 -5.188 1.00 43.13 N ATOM 0 H ARG A 34 10.003 2.263 1.621 1.00 5.20 H new ATOM 0 HA ARG A 34 9.010 4.932 1.360 1.00 31.30 H new ATOM 0 HB2 ARG A 34 8.733 2.329 -0.156 1.00 4.23 H new ATOM 0 HB3 ARG A 34 7.730 3.703 -0.578 1.00 4.23 H new ATOM 0 HG2 ARG A 34 10.115 4.955 -0.573 1.00 12.21 H new ATOM 0 HG3 ARG A 34 10.682 3.330 -0.906 1.00 12.21 H new ATOM 0 HD2 ARG A 34 9.061 3.180 -2.812 1.00 0.24 H new ATOM 0 HD3 ARG A 34 8.559 4.829 -2.495 1.00 0.24 H new ATOM 0 HE ARG A 34 11.439 4.634 -2.862 1.00 3.20 H new ATOM 0 HH11 ARG A 34 8.325 4.770 -4.520 1.00 34.22 H new ATOM 0 HH12 ARG A 34 9.011 5.446 -6.000 1.00 34.22 H new ATOM 0 HH21 ARG A 34 12.313 5.503 -4.768 1.00 43.13 H new ATOM 0 HH22 ARG A 34 11.259 5.859 -6.140 1.00 43.13 H new ATOM 529 N ASP A 35 7.050 2.626 2.571 1.00 24.30 N ATOM 530 CA ASP A 35 5.756 2.383 3.198 1.00 61.15 C ATOM 531 C ASP A 35 5.793 2.745 4.679 1.00 21.30 C ATOM 532 O ASP A 35 5.233 2.037 5.515 1.00 33.41 O ATOM 533 CB ASP A 35 5.350 0.918 3.027 1.00 11.24 C ATOM 534 CG ASP A 35 5.781 0.349 1.690 1.00 41.41 C ATOM 535 OD1 ASP A 35 6.912 -0.172 1.604 1.00 22.24 O ATOM 536 OD2 ASP A 35 4.988 0.427 0.728 1.00 34.34 O ATOM 0 H ASP A 35 7.715 1.859 2.666 1.00 24.30 H new ATOM 0 HA ASP A 35 5.017 3.016 2.707 1.00 61.15 H new ATOM 0 HB2 ASP A 35 5.791 0.326 3.829 1.00 11.24 H new ATOM 0 HB3 ASP A 35 4.268 0.830 3.124 1.00 11.24 H new ATOM 541 N ALA A 36 6.458 3.851 4.996 1.00 33.03 N ATOM 542 CA ALA A 36 6.567 4.307 6.376 1.00 1.14 C ATOM 543 C ALA A 36 5.197 4.370 7.044 1.00 25.10 C ATOM 544 O ALA A 36 4.934 3.696 8.040 1.00 22.21 O ATOM 545 CB ALA A 36 7.245 5.668 6.430 1.00 25.03 C ATOM 0 H ALA A 36 6.929 4.448 4.316 1.00 33.03 H new ATOM 0 HA ALA A 36 7.176 3.587 6.923 1.00 1.14 H new ATOM 0 HB1 ALA A 36 7.320 5.996 7.467 1.00 25.03 H new ATOM 0 HB2 ALA A 36 8.244 5.594 6.000 1.00 25.03 H new ATOM 0 HB3 ALA A 36 6.658 6.390 5.862 1.00 25.03 H new ATOM 551 N PRO A 37 4.303 5.199 6.485 1.00 22.40 N ATOM 552 CA PRO A 37 2.945 5.369 7.011 1.00 44.15 C ATOM 553 C PRO A 37 2.081 4.132 6.794 1.00 35.12 C ATOM 554 O PRO A 37 1.258 3.781 7.641 1.00 63.45 O ATOM 555 CB PRO A 37 2.399 6.551 6.205 1.00 22.24 C ATOM 556 CG PRO A 37 3.179 6.537 4.936 1.00 75.32 C ATOM 557 CD PRO A 37 4.549 6.033 5.297 1.00 74.35 C ATOM 0 HA PRO A 37 2.942 5.532 8.089 1.00 44.15 H new ATOM 0 HB2 PRO A 37 1.331 6.441 6.015 1.00 22.24 H new ATOM 0 HB3 PRO A 37 2.532 7.491 6.741 1.00 22.24 H new ATOM 0 HG2 PRO A 37 2.708 5.890 4.196 1.00 75.32 H new ATOM 0 HG3 PRO A 37 3.233 7.535 4.500 1.00 75.32 H new ATOM 0 HD2 PRO A 37 4.992 5.456 4.485 1.00 74.35 H new ATOM 0 HD3 PRO A 37 5.234 6.852 5.516 1.00 74.35 H new ATOM 565 N LYS A 38 2.271 3.474 5.656 1.00 44.13 N ATOM 566 CA LYS A 38 1.510 2.274 5.328 1.00 43.31 C ATOM 567 C LYS A 38 1.737 1.184 6.370 1.00 4.24 C ATOM 568 O LYS A 38 0.788 0.670 6.962 1.00 63.41 O ATOM 569 CB LYS A 38 1.904 1.759 3.942 1.00 75.04 C ATOM 570 CG LYS A 38 0.943 2.177 2.842 1.00 14.12 C ATOM 571 CD LYS A 38 1.363 3.491 2.204 1.00 33.42 C ATOM 572 CE LYS A 38 0.583 3.764 0.927 1.00 3.41 C ATOM 573 NZ LYS A 38 0.855 2.739 -0.119 1.00 15.53 N ATOM 0 H LYS A 38 2.947 3.752 4.944 1.00 44.13 H new ATOM 0 HA LYS A 38 0.452 2.535 5.325 1.00 43.31 H new ATOM 0 HB2 LYS A 38 2.902 2.123 3.699 1.00 75.04 H new ATOM 0 HB3 LYS A 38 1.960 0.671 3.970 1.00 75.04 H new ATOM 0 HG2 LYS A 38 0.900 1.399 2.080 1.00 14.12 H new ATOM 0 HG3 LYS A 38 -0.062 2.276 3.253 1.00 14.12 H new ATOM 0 HD2 LYS A 38 1.205 4.306 2.910 1.00 33.42 H new ATOM 0 HD3 LYS A 38 2.430 3.464 1.982 1.00 33.42 H new ATOM 0 HE2 LYS A 38 -0.484 3.781 1.150 1.00 3.41 H new ATOM 0 HE3 LYS A 38 0.845 4.751 0.545 1.00 3.41 H new ATOM 0 HZ1 LYS A 38 0.596 3.118 -1.052 1.00 15.53 H new ATOM 0 HZ2 LYS A 38 1.866 2.496 -0.112 1.00 15.53 H new ATOM 0 HZ3 LYS A 38 0.293 1.886 0.076 1.00 15.53 H new ATOM 587 N VAL A 39 3.001 0.837 6.592 1.00 44.42 N ATOM 588 CA VAL A 39 3.353 -0.190 7.565 1.00 1.30 C ATOM 589 C VAL A 39 2.939 0.222 8.973 1.00 13.51 C ATOM 590 O VAL A 39 2.425 -0.589 9.742 1.00 0.04 O ATOM 591 CB VAL A 39 4.865 -0.481 7.551 1.00 24.54 C ATOM 592 CG1 VAL A 39 5.197 -1.624 8.499 1.00 24.10 C ATOM 593 CG2 VAL A 39 5.334 -0.796 6.139 1.00 62.01 C ATOM 0 H VAL A 39 3.799 1.253 6.111 1.00 44.42 H new ATOM 0 HA VAL A 39 2.814 -1.094 7.281 1.00 1.30 H new ATOM 0 HB VAL A 39 5.392 0.409 7.894 1.00 24.54 H new ATOM 0 HG11 VAL A 39 6.270 -1.816 8.476 1.00 24.10 H new ATOM 0 HG12 VAL A 39 4.898 -1.355 9.512 1.00 24.10 H new ATOM 0 HG13 VAL A 39 4.661 -2.521 8.189 1.00 24.10 H new ATOM 0 HG21 VAL A 39 6.405 -0.999 6.148 1.00 62.01 H new ATOM 0 HG22 VAL A 39 4.802 -1.671 5.766 1.00 62.01 H new ATOM 0 HG23 VAL A 39 5.132 0.056 5.490 1.00 62.01 H new ATOM 603 N ALA A 40 3.165 1.490 9.303 1.00 23.35 N ATOM 604 CA ALA A 40 2.813 2.011 10.618 1.00 21.14 C ATOM 605 C ALA A 40 1.327 1.824 10.903 1.00 32.21 C ATOM 606 O ALA A 40 0.946 1.342 11.970 1.00 42.54 O ATOM 607 CB ALA A 40 3.191 3.481 10.722 1.00 43.01 C ATOM 0 H ALA A 40 3.590 2.175 8.678 1.00 23.35 H new ATOM 0 HA ALA A 40 3.373 1.449 11.366 1.00 21.14 H new ATOM 0 HB1 ALA A 40 2.922 3.857 11.709 1.00 43.01 H new ATOM 0 HB2 ALA A 40 4.265 3.592 10.571 1.00 43.01 H new ATOM 0 HB3 ALA A 40 2.657 4.049 9.960 1.00 43.01 H new ATOM 613 N GLU A 41 0.492 2.208 9.943 1.00 51.14 N ATOM 614 CA GLU A 41 -0.953 2.083 10.092 1.00 12.45 C ATOM 615 C GLU A 41 -1.362 0.619 10.223 1.00 53.00 C ATOM 616 O GLU A 41 -2.097 0.248 11.138 1.00 52.33 O ATOM 617 CB GLU A 41 -1.669 2.720 8.899 1.00 22.21 C ATOM 618 CG GLU A 41 -3.160 2.431 8.859 1.00 71.00 C ATOM 619 CD GLU A 41 -3.888 2.951 10.083 1.00 52.40 C ATOM 620 OE1 GLU A 41 -3.339 3.842 10.765 1.00 30.33 O ATOM 621 OE2 GLU A 41 -5.006 2.469 10.359 1.00 73.32 O ATOM 0 H GLU A 41 0.791 2.608 9.054 1.00 51.14 H new ATOM 0 HA GLU A 41 -1.245 2.606 11.002 1.00 12.45 H new ATOM 0 HB2 GLU A 41 -1.517 3.799 8.929 1.00 22.21 H new ATOM 0 HB3 GLU A 41 -1.213 2.359 7.977 1.00 22.21 H new ATOM 0 HG2 GLU A 41 -3.590 2.884 7.966 1.00 71.00 H new ATOM 0 HG3 GLU A 41 -3.316 1.355 8.778 1.00 71.00 H new ATOM 628 N MET A 42 -0.881 -0.208 9.301 1.00 61.12 N ATOM 629 CA MET A 42 -1.196 -1.632 9.313 1.00 42.02 C ATOM 630 C MET A 42 -0.786 -2.268 10.637 1.00 33.13 C ATOM 631 O MET A 42 -1.584 -2.949 11.282 1.00 63.32 O ATOM 632 CB MET A 42 -0.493 -2.341 8.154 1.00 64.40 C ATOM 633 CG MET A 42 -1.335 -3.429 7.506 1.00 4.24 C ATOM 634 SD MET A 42 -1.808 -4.724 8.668 1.00 73.44 S ATOM 635 CE MET A 42 -0.202 -5.256 9.255 1.00 31.13 C ATOM 0 H MET A 42 -0.272 0.083 8.536 1.00 61.12 H new ATOM 0 HA MET A 42 -2.274 -1.741 9.196 1.00 42.02 H new ATOM 0 HB2 MET A 42 -0.223 -1.604 7.398 1.00 64.40 H new ATOM 0 HB3 MET A 42 0.436 -2.780 8.517 1.00 64.40 H new ATOM 0 HG2 MET A 42 -2.233 -2.983 7.080 1.00 4.24 H new ATOM 0 HG3 MET A 42 -0.777 -3.872 6.681 1.00 4.24 H new ATOM 0 HE1 MET A 42 -0.325 -6.092 9.943 1.00 31.13 H new ATOM 0 HE2 MET A 42 0.409 -5.569 8.409 1.00 31.13 H new ATOM 0 HE3 MET A 42 0.289 -4.431 9.771 1.00 31.13 H new ATOM 645 N TRP A 43 0.460 -2.042 11.037 1.00 52.33 N ATOM 646 CA TRP A 43 0.974 -2.594 12.285 1.00 44.31 C ATOM 647 C TRP A 43 0.089 -2.197 13.461 1.00 22.23 C ATOM 648 O TRP A 43 -0.351 -3.048 14.235 1.00 71.03 O ATOM 649 CB TRP A 43 2.407 -2.116 12.525 1.00 4.02 C ATOM 650 CG TRP A 43 3.038 -2.720 13.743 1.00 3.55 C ATOM 651 CD1 TRP A 43 3.616 -3.953 13.841 1.00 3.04 C ATOM 652 CD2 TRP A 43 3.153 -2.117 15.037 1.00 14.21 C ATOM 653 NE1 TRP A 43 4.083 -4.153 15.118 1.00 20.41 N ATOM 654 CE2 TRP A 43 3.812 -3.042 15.871 1.00 53.53 C ATOM 655 CE3 TRP A 43 2.764 -0.886 15.572 1.00 44.40 C ATOM 656 CZ2 TRP A 43 4.088 -2.772 17.208 1.00 4.04 C ATOM 657 CZ3 TRP A 43 3.039 -0.620 16.900 1.00 45.32 C ATOM 658 CH2 TRP A 43 3.697 -1.559 17.706 1.00 51.33 C ATOM 0 H TRP A 43 1.133 -1.480 10.515 1.00 52.33 H new ATOM 0 HA TRP A 43 0.970 -3.681 12.202 1.00 44.31 H new ATOM 0 HB2 TRP A 43 3.014 -2.357 11.652 1.00 4.02 H new ATOM 0 HB3 TRP A 43 2.409 -1.031 12.624 1.00 4.02 H new ATOM 0 HD1 TRP A 43 3.695 -4.666 13.034 1.00 3.04 H new ATOM 0 HE1 TRP A 43 4.555 -4.993 15.451 1.00 20.41 H new ATOM 0 HE3 TRP A 43 2.257 -0.156 14.959 1.00 44.40 H new ATOM 0 HZ2 TRP A 43 4.593 -3.495 17.831 1.00 4.04 H new ATOM 0 HZ3 TRP A 43 2.742 0.328 17.324 1.00 45.32 H new ATOM 0 HH2 TRP A 43 3.899 -1.321 18.740 1.00 51.33 H new ATOM 669 N LYS A 44 -0.169 -0.900 13.591 1.00 23.33 N ATOM 670 CA LYS A 44 -1.003 -0.390 14.673 1.00 71.31 C ATOM 671 C LYS A 44 -2.333 -1.135 14.732 1.00 62.51 C ATOM 672 O LYS A 44 -2.661 -1.758 15.742 1.00 40.44 O ATOM 673 CB LYS A 44 -1.254 1.108 14.488 1.00 2.02 C ATOM 674 CG LYS A 44 -2.303 1.670 15.432 1.00 71.02 C ATOM 675 CD LYS A 44 -2.427 3.178 15.293 1.00 74.00 C ATOM 676 CE LYS A 44 -3.856 3.644 15.531 1.00 23.31 C ATOM 677 NZ LYS A 44 -4.710 3.451 14.327 1.00 50.13 N ATOM 0 H LYS A 44 0.188 -0.182 12.960 1.00 23.33 H new ATOM 0 HA LYS A 44 -0.474 -0.551 15.613 1.00 71.31 H new ATOM 0 HB2 LYS A 44 -0.318 1.646 14.637 1.00 2.02 H new ATOM 0 HB3 LYS A 44 -1.567 1.291 13.460 1.00 2.02 H new ATOM 0 HG2 LYS A 44 -3.267 1.204 15.226 1.00 71.02 H new ATOM 0 HG3 LYS A 44 -2.041 1.419 16.460 1.00 71.02 H new ATOM 0 HD2 LYS A 44 -1.761 3.666 16.004 1.00 74.00 H new ATOM 0 HD3 LYS A 44 -2.106 3.480 14.296 1.00 74.00 H new ATOM 0 HE2 LYS A 44 -4.282 3.094 16.370 1.00 23.31 H new ATOM 0 HE3 LYS A 44 -3.853 4.698 15.809 1.00 23.31 H new ATOM 0 HZ1 LYS A 44 -5.675 3.780 14.530 1.00 50.13 H new ATOM 0 HZ2 LYS A 44 -4.318 3.996 13.532 1.00 50.13 H new ATOM 0 HZ3 LYS A 44 -4.734 2.442 14.077 1.00 50.13 H new ATOM 691 N GLU A 45 -3.092 -1.069 13.643 1.00 15.40 N ATOM 692 CA GLU A 45 -4.386 -1.738 13.573 1.00 61.25 C ATOM 693 C GLU A 45 -4.257 -3.212 13.946 1.00 23.11 C ATOM 694 O GLU A 45 -5.121 -3.771 14.622 1.00 53.43 O ATOM 695 CB GLU A 45 -4.977 -1.607 12.167 1.00 13.24 C ATOM 696 CG GLU A 45 -5.521 -0.221 11.863 1.00 33.12 C ATOM 697 CD GLU A 45 -6.908 0.000 12.435 1.00 31.23 C ATOM 698 OE1 GLU A 45 -7.696 -0.969 12.470 1.00 1.22 O ATOM 699 OE2 GLU A 45 -7.206 1.140 12.848 1.00 42.14 O ATOM 0 H GLU A 45 -2.834 -0.560 12.798 1.00 15.40 H new ATOM 0 HA GLU A 45 -5.054 -1.257 14.287 1.00 61.25 H new ATOM 0 HB2 GLU A 45 -4.209 -1.856 11.434 1.00 13.24 H new ATOM 0 HB3 GLU A 45 -5.778 -2.337 12.049 1.00 13.24 H new ATOM 0 HG2 GLU A 45 -4.841 0.529 12.268 1.00 33.12 H new ATOM 0 HG3 GLU A 45 -5.550 -0.075 10.783 1.00 33.12 H new ATOM 706 N TYR A 46 -3.172 -3.836 13.501 1.00 3.11 N ATOM 707 CA TYR A 46 -2.930 -5.245 13.785 1.00 22.43 C ATOM 708 C TYR A 46 -2.665 -5.464 15.272 1.00 40.32 C ATOM 709 O TYR A 46 -3.117 -6.448 15.856 1.00 13.11 O ATOM 710 CB TYR A 46 -1.745 -5.757 12.964 1.00 2.23 C ATOM 711 CG TYR A 46 -1.180 -7.066 13.467 1.00 70.21 C ATOM 712 CD1 TYR A 46 -1.903 -8.247 13.350 1.00 22.32 C ATOM 713 CD2 TYR A 46 0.075 -7.122 14.059 1.00 24.43 C ATOM 714 CE1 TYR A 46 -1.391 -9.446 13.809 1.00 52.14 C ATOM 715 CE2 TYR A 46 0.595 -8.317 14.519 1.00 4.31 C ATOM 716 CZ TYR A 46 -0.142 -9.476 14.392 1.00 43.43 C ATOM 717 OH TYR A 46 0.372 -10.667 14.850 1.00 63.12 O ATOM 0 H TYR A 46 -2.446 -3.388 12.942 1.00 3.11 H new ATOM 0 HA TYR A 46 -3.824 -5.803 13.507 1.00 22.43 H new ATOM 0 HB2 TYR A 46 -2.058 -5.881 11.927 1.00 2.23 H new ATOM 0 HB3 TYR A 46 -0.957 -5.004 12.971 1.00 2.23 H new ATOM 0 HD1 TYR A 46 -2.881 -8.228 12.893 1.00 22.32 H new ATOM 0 HD2 TYR A 46 0.654 -6.216 14.162 1.00 24.43 H new ATOM 0 HE1 TYR A 46 -1.966 -10.355 13.711 1.00 52.14 H new ATOM 0 HE2 TYR A 46 1.573 -8.343 14.976 1.00 4.31 H new ATOM 0 HH TYR A 46 1.262 -10.514 15.232 1.00 63.12 H new ATOM 727 N MET A 47 -1.929 -4.537 15.877 1.00 31.44 N ATOM 728 CA MET A 47 -1.605 -4.627 17.296 1.00 10.44 C ATOM 729 C MET A 47 -2.829 -4.321 18.154 1.00 70.21 C ATOM 730 O MET A 47 -2.912 -4.743 19.308 1.00 20.31 O ATOM 731 CB MET A 47 -0.470 -3.661 17.644 1.00 55.10 C ATOM 732 CG MET A 47 0.827 -3.959 16.911 1.00 43.01 C ATOM 733 SD MET A 47 1.808 -5.235 17.725 1.00 53.31 S ATOM 734 CE MET A 47 2.211 -4.419 19.268 1.00 75.11 C ATOM 0 H MET A 47 -1.546 -3.716 15.408 1.00 31.44 H new ATOM 0 HA MET A 47 -1.282 -5.647 17.505 1.00 10.44 H new ATOM 0 HB2 MET A 47 -0.785 -2.644 17.410 1.00 55.10 H new ATOM 0 HB3 MET A 47 -0.288 -3.699 18.718 1.00 55.10 H new ATOM 0 HG2 MET A 47 0.600 -4.275 15.893 1.00 43.01 H new ATOM 0 HG3 MET A 47 1.416 -3.045 16.837 1.00 43.01 H new ATOM 0 HE1 MET A 47 3.278 -4.523 19.467 1.00 75.11 H new ATOM 0 HE2 MET A 47 1.957 -3.361 19.198 1.00 75.11 H new ATOM 0 HE3 MET A 47 1.644 -4.875 20.080 1.00 75.11 H new ATOM 744 N LEU A 48 -3.777 -3.586 17.583 1.00 2.24 N ATOM 745 CA LEU A 48 -4.997 -3.224 18.296 1.00 11.50 C ATOM 746 C LEU A 48 -6.165 -4.102 17.858 1.00 44.11 C ATOM 747 O LEU A 48 -7.303 -3.641 17.772 1.00 41.24 O ATOM 748 CB LEU A 48 -5.334 -1.751 18.055 1.00 4.25 C ATOM 749 CG LEU A 48 -4.207 -0.753 18.323 1.00 45.55 C ATOM 750 CD1 LEU A 48 -4.550 0.609 17.738 1.00 63.20 C ATOM 751 CD2 LEU A 48 -3.936 -0.641 19.816 1.00 44.12 C ATOM 0 H LEU A 48 -3.724 -3.229 16.629 1.00 2.24 H new ATOM 0 HA LEU A 48 -4.826 -3.382 19.361 1.00 11.50 H new ATOM 0 HB2 LEU A 48 -5.655 -1.637 17.020 1.00 4.25 H new ATOM 0 HB3 LEU A 48 -6.184 -1.486 18.683 1.00 4.25 H new ATOM 0 HG LEU A 48 -3.302 -1.118 17.837 1.00 45.55 H new ATOM 0 HD11 LEU A 48 -3.737 1.306 17.938 1.00 63.20 H new ATOM 0 HD12 LEU A 48 -4.692 0.517 16.661 1.00 63.20 H new ATOM 0 HD13 LEU A 48 -5.467 0.981 18.195 1.00 63.20 H new ATOM 0 HD21 LEU A 48 -3.131 0.074 19.987 1.00 44.12 H new ATOM 0 HD22 LEU A 48 -4.838 -0.301 20.325 1.00 44.12 H new ATOM 0 HD23 LEU A 48 -3.645 -1.616 20.207 1.00 44.12 H new ATOM 763 N ARG A 49 -5.875 -5.370 17.584 1.00 4.35 N ATOM 764 CA ARG A 49 -6.901 -6.313 17.156 1.00 5.05 C ATOM 765 C ARG A 49 -7.244 -7.289 18.278 1.00 11.43 C ATOM 766 O ARG A 49 -6.442 -7.550 19.175 1.00 45.24 O ATOM 767 CB ARG A 49 -6.431 -7.084 15.921 1.00 32.14 C ATOM 768 CG ARG A 49 -6.967 -6.524 14.614 1.00 44.12 C ATOM 769 CD ARG A 49 -6.453 -7.312 13.419 1.00 51.54 C ATOM 770 NE ARG A 49 -7.243 -7.058 12.216 1.00 24.53 N ATOM 771 CZ ARG A 49 -8.491 -7.482 12.054 1.00 31.33 C ATOM 772 NH1 ARG A 49 -9.089 -8.176 13.013 1.00 10.32 N ATOM 773 NH2 ARG A 49 -9.144 -7.212 10.931 1.00 33.13 N ATOM 0 H ARG A 49 -4.938 -5.768 17.651 1.00 4.35 H new ATOM 0 HA ARG A 49 -7.797 -5.747 16.903 1.00 5.05 H new ATOM 0 HB2 ARG A 49 -5.341 -7.076 15.891 1.00 32.14 H new ATOM 0 HB3 ARG A 49 -6.739 -8.125 16.014 1.00 32.14 H new ATOM 0 HG2 ARG A 49 -8.057 -6.548 14.626 1.00 44.12 H new ATOM 0 HG3 ARG A 49 -6.672 -5.479 14.516 1.00 44.12 H new ATOM 0 HD2 ARG A 49 -5.412 -7.049 13.232 1.00 51.54 H new ATOM 0 HD3 ARG A 49 -6.476 -8.377 13.650 1.00 51.54 H new ATOM 0 HE ARG A 49 -6.812 -6.526 11.460 1.00 24.53 H new ATOM 0 HH11 ARG A 49 -8.590 -8.385 13.878 1.00 10.32 H new ATOM 0 HH12 ARG A 49 -10.048 -8.500 12.886 1.00 10.32 H new ATOM 0 HH21 ARG A 49 -8.687 -6.678 10.191 1.00 33.13 H new ATOM 0 HH22 ARG A 49 -10.103 -7.538 10.807 1.00 33.13 H new ATOM 787 N PRO A 50 -8.466 -7.840 18.229 1.00 23.45 N ATOM 788 CA PRO A 50 -8.944 -8.796 19.234 1.00 45.54 C ATOM 789 C PRO A 50 -8.226 -10.138 19.144 1.00 32.21 C ATOM 790 O PRO A 50 -7.754 -10.668 20.149 1.00 23.55 O ATOM 791 CB PRO A 50 -10.427 -8.958 18.891 1.00 4.34 C ATOM 792 CG PRO A 50 -10.519 -8.626 17.442 1.00 74.20 C ATOM 793 CD PRO A 50 -9.474 -7.575 17.190 1.00 52.20 C ATOM 0 HA PRO A 50 -8.763 -8.445 20.250 1.00 45.54 H new ATOM 0 HB2 PRO A 50 -10.770 -9.974 19.087 1.00 4.34 H new ATOM 0 HB3 PRO A 50 -11.047 -8.291 19.490 1.00 4.34 H new ATOM 0 HG2 PRO A 50 -10.341 -9.508 16.828 1.00 74.20 H new ATOM 0 HG3 PRO A 50 -11.513 -8.257 17.189 1.00 74.20 H new ATOM 0 HD2 PRO A 50 -9.051 -7.661 16.189 1.00 52.20 H new ATOM 0 HD3 PRO A 50 -9.886 -6.570 17.277 1.00 52.20 H new ATOM 801 N SER A 51 -8.148 -10.683 17.934 1.00 12.21 N ATOM 802 CA SER A 51 -7.491 -11.966 17.714 1.00 10.22 C ATOM 803 C SER A 51 -6.060 -11.941 18.243 1.00 12.11 C ATOM 804 O SER A 51 -5.574 -12.926 18.798 1.00 21.40 O ATOM 805 CB SER A 51 -7.490 -12.314 16.224 1.00 12.44 C ATOM 806 OG SER A 51 -8.744 -12.021 15.632 1.00 63.13 O ATOM 0 H SER A 51 -8.532 -10.256 17.091 1.00 12.21 H new ATOM 0 HA SER A 51 -8.048 -12.729 18.257 1.00 10.22 H new ATOM 0 HB2 SER A 51 -6.705 -11.753 15.717 1.00 12.44 H new ATOM 0 HB3 SER A 51 -7.261 -13.372 16.094 1.00 12.44 H new ATOM 0 HG SER A 51 -8.718 -12.250 14.680 1.00 63.13 H new ATOM 812 N VAL A 52 -5.390 -10.806 18.067 1.00 74.43 N ATOM 813 CA VAL A 52 -4.015 -10.651 18.526 1.00 15.14 C ATOM 814 C VAL A 52 -3.929 -10.754 20.045 1.00 63.41 C ATOM 815 O VAL A 52 -4.688 -10.108 20.766 1.00 60.25 O ATOM 816 CB VAL A 52 -3.424 -9.301 18.080 1.00 2.42 C ATOM 817 CG1 VAL A 52 -2.039 -9.101 18.677 1.00 11.21 C ATOM 818 CG2 VAL A 52 -3.376 -9.216 16.562 1.00 13.21 C ATOM 0 H VAL A 52 -5.778 -9.981 17.610 1.00 74.43 H new ATOM 0 HA VAL A 52 -3.437 -11.458 18.076 1.00 15.14 H new ATOM 0 HB VAL A 52 -4.070 -8.503 18.446 1.00 2.42 H new ATOM 0 HG11 VAL A 52 -1.637 -8.142 18.351 1.00 11.21 H new ATOM 0 HG12 VAL A 52 -2.106 -9.115 19.765 1.00 11.21 H new ATOM 0 HG13 VAL A 52 -1.380 -9.903 18.344 1.00 11.21 H new ATOM 0 HG21 VAL A 52 -2.956 -8.255 16.264 1.00 13.21 H new ATOM 0 HG22 VAL A 52 -2.753 -10.021 16.172 1.00 13.21 H new ATOM 0 HG23 VAL A 52 -4.385 -9.311 16.160 1.00 13.21 H new ATOM 828 N ASN A 53 -2.997 -11.572 20.525 1.00 51.05 N ATOM 829 CA ASN A 53 -2.811 -11.761 21.959 1.00 45.44 C ATOM 830 C ASN A 53 -1.569 -11.021 22.448 1.00 62.15 C ATOM 831 O ASN A 53 -0.908 -10.319 21.681 1.00 12.34 O ATOM 832 CB ASN A 53 -2.693 -13.250 22.287 1.00 30.31 C ATOM 833 CG ASN A 53 -1.924 -14.017 21.228 1.00 11.14 C ATOM 834 OD1 ASN A 53 -2.444 -14.295 20.147 1.00 4.15 O ATOM 835 ND2 ASN A 53 -0.679 -14.363 21.536 1.00 54.23 N ATOM 0 H ASN A 53 -2.359 -12.114 19.942 1.00 51.05 H new ATOM 0 HA ASN A 53 -3.682 -11.351 22.471 1.00 45.44 H new ATOM 0 HB2 ASN A 53 -2.196 -13.369 23.250 1.00 30.31 H new ATOM 0 HB3 ASN A 53 -3.691 -13.677 22.388 1.00 30.31 H new ATOM 0 HD21 ASN A 53 -0.112 -14.881 20.864 1.00 54.23 H new ATOM 0 HD22 ASN A 53 -0.290 -14.111 22.444 1.00 54.23 H new ATOM 842 N THR A 54 -1.256 -11.184 23.729 1.00 22.13 N ATOM 843 CA THR A 54 -0.094 -10.532 24.321 1.00 35.54 C ATOM 844 C THR A 54 1.189 -10.945 23.610 1.00 3.24 C ATOM 845 O THR A 54 2.068 -10.118 23.366 1.00 52.40 O ATOM 846 CB THR A 54 0.033 -10.865 25.820 1.00 12.52 C ATOM 847 OG1 THR A 54 -1.166 -11.493 26.286 1.00 34.22 O ATOM 848 CG2 THR A 54 0.300 -9.606 26.632 1.00 24.44 C ATOM 0 H THR A 54 -1.791 -11.762 24.377 1.00 22.13 H new ATOM 0 HA THR A 54 -0.240 -9.458 24.206 1.00 35.54 H new ATOM 0 HB THR A 54 0.873 -11.547 25.948 1.00 12.52 H new ATOM 0 HG1 THR A 54 -1.076 -11.703 27.239 1.00 34.22 H new ATOM 0 HG21 THR A 54 0.386 -9.865 27.687 1.00 24.44 H new ATOM 0 HG22 THR A 54 1.229 -9.146 26.295 1.00 24.44 H new ATOM 0 HG23 THR A 54 -0.523 -8.904 26.497 1.00 24.44 H new ATOM 856 N ARG A 55 1.291 -12.228 23.280 1.00 24.13 N ATOM 857 CA ARG A 55 2.469 -12.750 22.597 1.00 0.13 C ATOM 858 C ARG A 55 2.712 -12.006 21.287 1.00 34.30 C ATOM 859 O ARG A 55 3.793 -11.463 21.061 1.00 10.13 O ATOM 860 CB ARG A 55 2.305 -14.246 22.324 1.00 23.22 C ATOM 861 CG ARG A 55 3.622 -15.003 22.270 1.00 22.13 C ATOM 862 CD ARG A 55 3.399 -16.507 22.223 1.00 41.42 C ATOM 863 NE ARG A 55 2.812 -16.933 20.955 1.00 3.02 N ATOM 864 CZ ARG A 55 2.758 -18.200 20.560 1.00 40.02 C ATOM 865 NH1 ARG A 55 3.252 -19.160 21.329 1.00 3.24 N ATOM 866 NH2 ARG A 55 2.208 -18.509 19.392 1.00 0.05 N ATOM 0 H ARG A 55 0.572 -12.925 23.474 1.00 24.13 H new ATOM 0 HA ARG A 55 3.332 -12.599 23.246 1.00 0.13 H new ATOM 0 HB2 ARG A 55 1.677 -14.682 23.101 1.00 23.22 H new ATOM 0 HB3 ARG A 55 1.780 -14.379 21.378 1.00 23.22 H new ATOM 0 HG2 ARG A 55 4.187 -14.690 21.392 1.00 22.13 H new ATOM 0 HG3 ARG A 55 4.224 -14.750 23.143 1.00 22.13 H new ATOM 0 HD2 ARG A 55 4.349 -17.019 22.373 1.00 41.42 H new ATOM 0 HD3 ARG A 55 2.745 -16.802 23.043 1.00 41.42 H new ATOM 0 HE ARG A 55 2.423 -16.219 20.340 1.00 3.02 H new ATOM 0 HH11 ARG A 55 3.675 -18.927 22.227 1.00 3.24 H new ATOM 0 HH12 ARG A 55 3.209 -20.132 21.023 1.00 3.24 H new ATOM 0 HH21 ARG A 55 1.827 -17.773 18.797 1.00 0.05 H new ATOM 0 HH22 ARG A 55 2.167 -19.482 19.089 1.00 0.05 H new ATOM 880 N ARG A 56 1.699 -11.987 20.427 1.00 35.41 N ATOM 881 CA ARG A 56 1.802 -11.313 19.139 1.00 43.50 C ATOM 882 C ARG A 56 2.208 -9.853 19.321 1.00 3.11 C ATOM 883 O ARG A 56 3.068 -9.342 18.603 1.00 51.20 O ATOM 884 CB ARG A 56 0.472 -11.393 18.388 1.00 32.03 C ATOM 885 CG ARG A 56 0.361 -12.601 17.473 1.00 63.05 C ATOM 886 CD ARG A 56 -0.719 -13.561 17.945 1.00 74.13 C ATOM 887 NE ARG A 56 -1.225 -14.394 16.857 1.00 63.31 N ATOM 888 CZ ARG A 56 -0.525 -15.374 16.296 1.00 70.22 C ATOM 889 NH1 ARG A 56 0.703 -15.643 16.718 1.00 12.52 N ATOM 890 NH2 ARG A 56 -1.054 -16.088 15.310 1.00 23.54 N ATOM 0 H ARG A 56 0.797 -12.431 20.599 1.00 35.41 H new ATOM 0 HA ARG A 56 2.572 -11.817 18.555 1.00 43.50 H new ATOM 0 HB2 ARG A 56 -0.343 -11.420 19.111 1.00 32.03 H new ATOM 0 HB3 ARG A 56 0.343 -10.487 17.796 1.00 32.03 H new ATOM 0 HG2 ARG A 56 0.138 -12.271 16.459 1.00 63.05 H new ATOM 0 HG3 ARG A 56 1.319 -13.120 17.436 1.00 63.05 H new ATOM 0 HD2 ARG A 56 -0.318 -14.198 18.733 1.00 74.13 H new ATOM 0 HD3 ARG A 56 -1.542 -12.995 18.381 1.00 74.13 H new ATOM 0 HE ARG A 56 -2.167 -14.214 16.509 1.00 63.31 H new ATOM 0 HH11 ARG A 56 1.113 -15.097 17.476 1.00 12.52 H new ATOM 0 HH12 ARG A 56 1.238 -16.396 16.285 1.00 12.52 H new ATOM 0 HH21 ARG A 56 -1.998 -15.884 14.983 1.00 23.54 H new ATOM 0 HH22 ARG A 56 -0.516 -16.840 14.880 1.00 23.54 H new ATOM 904 N LYS A 57 1.584 -9.187 20.286 1.00 12.51 N ATOM 905 CA LYS A 57 1.879 -7.786 20.564 1.00 23.14 C ATOM 906 C LYS A 57 3.363 -7.592 20.862 1.00 53.32 C ATOM 907 O LYS A 57 4.040 -6.803 20.202 1.00 44.31 O ATOM 908 CB LYS A 57 1.042 -7.292 21.747 1.00 63.14 C ATOM 909 CG LYS A 57 -0.372 -6.892 21.365 1.00 14.21 C ATOM 910 CD LYS A 57 -1.369 -7.265 22.449 1.00 31.24 C ATOM 911 CE LYS A 57 -2.795 -7.260 21.921 1.00 34.50 C ATOM 912 NZ LYS A 57 -3.782 -6.940 22.990 1.00 42.14 N ATOM 0 H LYS A 57 0.870 -9.595 20.890 1.00 12.51 H new ATOM 0 HA LYS A 57 1.624 -7.204 19.678 1.00 23.14 H new ATOM 0 HB2 LYS A 57 0.997 -8.076 22.503 1.00 63.14 H new ATOM 0 HB3 LYS A 57 1.542 -6.438 22.204 1.00 63.14 H new ATOM 0 HG2 LYS A 57 -0.412 -5.817 21.187 1.00 14.21 H new ATOM 0 HG3 LYS A 57 -0.649 -7.380 20.431 1.00 14.21 H new ATOM 0 HD2 LYS A 57 -1.129 -8.253 22.841 1.00 31.24 H new ATOM 0 HD3 LYS A 57 -1.285 -6.564 23.279 1.00 31.24 H new ATOM 0 HE2 LYS A 57 -2.882 -6.530 21.116 1.00 34.50 H new ATOM 0 HE3 LYS A 57 -3.027 -8.235 21.493 1.00 34.50 H new ATOM 0 HZ1 LYS A 57 -4.742 -6.947 22.590 1.00 42.14 H new ATOM 0 HZ2 LYS A 57 -3.717 -7.651 23.746 1.00 42.14 H new ATOM 0 HZ3 LYS A 57 -3.577 -5.999 23.382 1.00 42.14 H new ATOM 926 N LEU A 58 3.862 -8.316 21.857 1.00 33.31 N ATOM 927 CA LEU A 58 5.266 -8.225 22.241 1.00 41.32 C ATOM 928 C LEU A 58 6.175 -8.414 21.030 1.00 12.23 C ATOM 929 O LEU A 58 7.077 -7.612 20.787 1.00 45.22 O ATOM 930 CB LEU A 58 5.593 -9.272 23.307 1.00 43.31 C ATOM 931 CG LEU A 58 7.069 -9.407 23.685 1.00 52.33 C ATOM 932 CD1 LEU A 58 7.308 -8.889 25.095 1.00 63.54 C ATOM 933 CD2 LEU A 58 7.521 -10.855 23.562 1.00 55.42 C ATOM 0 H LEU A 58 3.315 -8.973 22.413 1.00 33.31 H new ATOM 0 HA LEU A 58 5.441 -7.231 22.652 1.00 41.32 H new ATOM 0 HB2 LEU A 58 5.028 -9.033 24.208 1.00 43.31 H new ATOM 0 HB3 LEU A 58 5.238 -10.241 22.957 1.00 43.31 H new ATOM 0 HG LEU A 58 7.658 -8.804 22.994 1.00 52.33 H new ATOM 0 HD11 LEU A 58 8.363 -8.993 25.347 1.00 63.54 H new ATOM 0 HD12 LEU A 58 7.024 -7.838 25.150 1.00 63.54 H new ATOM 0 HD13 LEU A 58 6.708 -9.464 25.800 1.00 63.54 H new ATOM 0 HD21 LEU A 58 8.574 -10.932 23.835 1.00 55.42 H new ATOM 0 HD22 LEU A 58 6.927 -11.480 24.229 1.00 55.42 H new ATOM 0 HD23 LEU A 58 7.387 -11.192 22.534 1.00 55.42 H new ATOM 945 N LEU A 59 5.929 -9.478 20.273 1.00 3.55 N ATOM 946 CA LEU A 59 6.724 -9.771 19.086 1.00 71.32 C ATOM 947 C LEU A 59 6.773 -8.566 18.152 1.00 61.42 C ATOM 948 O LEU A 59 7.845 -8.152 17.712 1.00 32.31 O ATOM 949 CB LEU A 59 6.146 -10.980 18.348 1.00 60.04 C ATOM 950 CG LEU A 59 6.436 -12.347 18.968 1.00 62.10 C ATOM 951 CD1 LEU A 59 5.840 -13.457 18.116 1.00 20.24 C ATOM 952 CD2 LEU A 59 7.935 -12.549 19.137 1.00 0.31 C ATOM 0 H LEU A 59 5.186 -10.151 20.460 1.00 3.55 H new ATOM 0 HA LEU A 59 7.740 -10.000 19.406 1.00 71.32 H new ATOM 0 HB2 LEU A 59 5.065 -10.856 18.280 1.00 60.04 H new ATOM 0 HB3 LEU A 59 6.532 -10.977 17.329 1.00 60.04 H new ATOM 0 HG LEU A 59 5.971 -12.383 19.953 1.00 62.10 H new ATOM 0 HD11 LEU A 59 6.057 -14.423 18.573 1.00 20.24 H new ATOM 0 HD12 LEU A 59 4.761 -13.322 18.046 1.00 20.24 H new ATOM 0 HD13 LEU A 59 6.275 -13.423 17.117 1.00 20.24 H new ATOM 0 HD21 LEU A 59 8.123 -13.527 19.580 1.00 0.31 H new ATOM 0 HD22 LEU A 59 8.422 -12.492 18.163 1.00 0.31 H new ATOM 0 HD23 LEU A 59 8.335 -11.773 19.789 1.00 0.31 H new ATOM 964 N GLY A 60 5.604 -8.006 17.854 1.00 24.34 N ATOM 965 CA GLY A 60 5.537 -6.853 16.976 1.00 14.02 C ATOM 966 C GLY A 60 6.299 -5.662 17.523 1.00 63.52 C ATOM 967 O GLY A 60 6.860 -4.872 16.762 1.00 31.31 O ATOM 0 H GLY A 60 4.703 -8.330 18.205 1.00 24.34 H new ATOM 0 HA2 GLY A 60 5.940 -7.120 15.999 1.00 14.02 H new ATOM 0 HA3 GLY A 60 4.494 -6.575 16.826 1.00 14.02 H new ATOM 971 N LEU A 61 6.320 -5.532 18.845 1.00 50.55 N ATOM 972 CA LEU A 61 7.018 -4.427 19.493 1.00 24.11 C ATOM 973 C LEU A 61 8.520 -4.509 19.240 1.00 64.00 C ATOM 974 O LEU A 61 9.156 -3.515 18.886 1.00 33.43 O ATOM 975 CB LEU A 61 6.742 -4.436 20.998 1.00 60.24 C ATOM 976 CG LEU A 61 6.462 -3.076 21.637 1.00 52.32 C ATOM 977 CD1 LEU A 61 6.364 -3.206 23.149 1.00 62.22 C ATOM 978 CD2 LEU A 61 7.542 -2.074 21.255 1.00 60.33 C ATOM 0 H LEU A 61 5.862 -6.177 19.489 1.00 50.55 H new ATOM 0 HA LEU A 61 6.646 -3.495 19.067 1.00 24.11 H new ATOM 0 HB2 LEU A 61 5.888 -5.086 21.187 1.00 60.24 H new ATOM 0 HB3 LEU A 61 7.600 -4.882 21.502 1.00 60.24 H new ATOM 0 HG LEU A 61 5.506 -2.710 21.262 1.00 52.32 H new ATOM 0 HD11 LEU A 61 6.164 -2.228 23.586 1.00 62.22 H new ATOM 0 HD12 LEU A 61 5.554 -3.889 23.404 1.00 62.22 H new ATOM 0 HD13 LEU A 61 7.303 -3.594 23.542 1.00 62.22 H new ATOM 0 HD21 LEU A 61 7.326 -1.112 21.719 1.00 60.33 H new ATOM 0 HD22 LEU A 61 8.511 -2.434 21.601 1.00 60.33 H new ATOM 0 HD23 LEU A 61 7.564 -1.958 20.171 1.00 60.33 H new ATOM 990 N TYR A 62 9.081 -5.699 19.421 1.00 24.34 N ATOM 991 CA TYR A 62 10.509 -5.911 19.213 1.00 71.21 C ATOM 992 C TYR A 62 10.863 -5.820 17.732 1.00 54.34 C ATOM 993 O TYR A 62 11.943 -5.354 17.367 1.00 51.05 O ATOM 994 CB TYR A 62 10.930 -7.274 19.766 1.00 53.21 C ATOM 995 CG TYR A 62 11.082 -7.296 21.270 1.00 1.11 C ATOM 996 CD1 TYR A 62 12.088 -6.571 21.897 1.00 43.35 C ATOM 997 CD2 TYR A 62 10.221 -8.043 22.065 1.00 41.54 C ATOM 998 CE1 TYR A 62 12.232 -6.588 23.270 1.00 21.34 C ATOM 999 CE2 TYR A 62 10.356 -8.065 23.439 1.00 4.12 C ATOM 1000 CZ TYR A 62 11.363 -7.336 24.037 1.00 24.54 C ATOM 1001 OH TYR A 62 11.502 -7.357 25.406 1.00 24.32 O ATOM 0 H TYR A 62 8.569 -6.532 19.711 1.00 24.34 H new ATOM 0 HA TYR A 62 11.048 -5.128 19.746 1.00 71.21 H new ATOM 0 HB2 TYR A 62 10.191 -8.020 19.473 1.00 53.21 H new ATOM 0 HB3 TYR A 62 11.876 -7.566 19.309 1.00 53.21 H new ATOM 0 HD1 TYR A 62 12.770 -5.984 21.300 1.00 43.35 H new ATOM 0 HD2 TYR A 62 9.433 -8.616 21.600 1.00 41.54 H new ATOM 0 HE1 TYR A 62 13.020 -6.019 23.741 1.00 21.34 H new ATOM 0 HE2 TYR A 62 9.677 -8.650 24.042 1.00 4.12 H new ATOM 0 HH TYR A 62 10.810 -7.931 25.796 1.00 24.32 H new ATOM 1011 N LEU A 63 9.944 -6.267 16.882 1.00 2.13 N ATOM 1012 CA LEU A 63 10.157 -6.236 15.439 1.00 12.34 C ATOM 1013 C LEU A 63 10.190 -4.800 14.925 1.00 64.22 C ATOM 1014 O LEU A 63 11.147 -4.387 14.271 1.00 64.45 O ATOM 1015 CB LEU A 63 9.055 -7.020 14.725 1.00 70.13 C ATOM 1016 CG LEU A 63 9.117 -7.024 13.197 1.00 60.11 C ATOM 1017 CD1 LEU A 63 10.269 -7.891 12.712 1.00 54.12 C ATOM 1018 CD2 LEU A 63 7.799 -7.508 12.611 1.00 72.51 C ATOM 0 H LEU A 63 9.045 -6.655 17.167 1.00 2.13 H new ATOM 0 HA LEU A 63 11.120 -6.700 15.228 1.00 12.34 H new ATOM 0 HB2 LEU A 63 9.088 -8.053 15.073 1.00 70.13 H new ATOM 0 HB3 LEU A 63 8.091 -6.612 15.029 1.00 70.13 H new ATOM 0 HG LEU A 63 9.289 -6.003 12.857 1.00 60.11 H new ATOM 0 HD11 LEU A 63 10.298 -7.882 11.622 1.00 54.12 H new ATOM 0 HD12 LEU A 63 11.208 -7.500 13.103 1.00 54.12 H new ATOM 0 HD13 LEU A 63 10.128 -8.913 13.063 1.00 54.12 H new ATOM 0 HD21 LEU A 63 7.861 -7.504 11.523 1.00 72.51 H new ATOM 0 HD22 LEU A 63 7.596 -8.521 12.959 1.00 72.51 H new ATOM 0 HD23 LEU A 63 6.994 -6.846 12.930 1.00 72.51 H new ATOM 1030 N MET A 64 9.140 -4.044 15.227 1.00 1.00 N ATOM 1031 CA MET A 64 9.052 -2.653 14.798 1.00 75.13 C ATOM 1032 C MET A 64 10.154 -1.815 15.437 1.00 24.50 C ATOM 1033 O MET A 64 10.666 -0.878 14.828 1.00 43.55 O ATOM 1034 CB MET A 64 7.682 -2.073 15.155 1.00 11.25 C ATOM 1035 CG MET A 64 7.528 -1.745 16.632 1.00 51.53 C ATOM 1036 SD MET A 64 7.920 -0.025 17.005 1.00 14.42 S ATOM 1037 CE MET A 64 7.282 0.113 18.673 1.00 15.42 C ATOM 0 H MET A 64 8.339 -4.371 15.767 1.00 1.00 H new ATOM 0 HA MET A 64 9.180 -2.624 13.716 1.00 75.13 H new ATOM 0 HB2 MET A 64 7.516 -1.168 14.571 1.00 11.25 H new ATOM 0 HB3 MET A 64 6.909 -2.785 14.867 1.00 11.25 H new ATOM 0 HG2 MET A 64 6.505 -1.956 16.942 1.00 51.53 H new ATOM 0 HG3 MET A 64 8.179 -2.397 17.215 1.00 51.53 H new ATOM 0 HE1 MET A 64 6.825 1.093 18.808 1.00 15.42 H new ATOM 0 HE2 MET A 64 6.535 -0.662 18.842 1.00 15.42 H new ATOM 0 HE3 MET A 64 8.098 -0.008 19.386 1.00 15.42 H new ATOM 1047 N ASN A 65 10.515 -2.161 16.669 1.00 40.22 N ATOM 1048 CA ASN A 65 11.557 -1.440 17.391 1.00 51.53 C ATOM 1049 C ASN A 65 12.932 -1.735 16.800 1.00 22.33 C ATOM 1050 O ASN A 65 13.802 -0.865 16.758 1.00 1.44 O ATOM 1051 CB ASN A 65 11.534 -1.817 18.873 1.00 31.23 C ATOM 1052 CG ASN A 65 12.454 -0.946 19.706 1.00 0.32 C ATOM 1053 OD1 ASN A 65 12.696 0.215 19.375 1.00 51.12 O ATOM 1054 ND2 ASN A 65 12.972 -1.503 20.794 1.00 22.42 N ATOM 0 H ASN A 65 10.101 -2.936 17.188 1.00 40.22 H new ATOM 0 HA ASN A 65 11.361 -0.372 17.292 1.00 51.53 H new ATOM 0 HB2 ASN A 65 10.515 -1.730 19.251 1.00 31.23 H new ATOM 0 HB3 ASN A 65 11.828 -2.861 18.984 1.00 31.23 H new ATOM 0 HD21 ASN A 65 13.598 -0.965 21.394 1.00 22.42 H new ATOM 0 HD22 ASN A 65 12.744 -2.469 21.030 1.00 22.42 H new ATOM 1061 N HIS A 66 13.122 -2.969 16.344 1.00 34.53 N ATOM 1062 CA HIS A 66 14.391 -3.380 15.755 1.00 72.33 C ATOM 1063 C HIS A 66 14.590 -2.733 14.388 1.00 54.14 C ATOM 1064 O HIS A 66 15.679 -2.259 14.066 1.00 4.12 O ATOM 1065 CB HIS A 66 14.448 -4.903 15.624 1.00 13.42 C ATOM 1066 CG HIS A 66 15.770 -5.413 15.141 1.00 61.41 C ATOM 1067 ND1 HIS A 66 16.704 -5.991 15.975 1.00 41.02 N ATOM 1068 CD2 HIS A 66 16.312 -5.433 13.901 1.00 41.52 C ATOM 1069 CE1 HIS A 66 17.764 -6.342 15.269 1.00 42.42 C ATOM 1070 NE2 HIS A 66 17.552 -6.014 14.007 1.00 34.11 N ATOM 0 H HIS A 66 12.413 -3.702 16.371 1.00 34.53 H new ATOM 0 HA HIS A 66 15.193 -3.049 16.415 1.00 72.33 H new ATOM 0 HB2 HIS A 66 14.227 -5.351 16.593 1.00 13.42 H new ATOM 0 HB3 HIS A 66 13.668 -5.230 14.936 1.00 13.42 H new ATOM 0 HD1 HIS A 66 16.594 -6.126 16.980 1.00 41.02 H new ATOM 0 HD2 HIS A 66 15.854 -5.061 12.996 1.00 41.52 H new ATOM 0 HE1 HIS A 66 18.653 -6.817 15.658 1.00 42.42 H new ATOM 1078 N VAL A 67 13.529 -2.717 13.586 1.00 65.23 N ATOM 1079 CA VAL A 67 13.587 -2.128 12.253 1.00 3.03 C ATOM 1080 C VAL A 67 13.724 -0.611 12.329 1.00 63.54 C ATOM 1081 O VAL A 67 14.450 -0.003 11.542 1.00 2.02 O ATOM 1082 CB VAL A 67 12.334 -2.479 11.429 1.00 22.15 C ATOM 1083 CG1 VAL A 67 11.078 -1.990 12.134 1.00 73.51 C ATOM 1084 CG2 VAL A 67 12.434 -1.890 10.031 1.00 45.24 C ATOM 0 H VAL A 67 12.620 -3.105 13.836 1.00 65.23 H new ATOM 0 HA VAL A 67 14.465 -2.545 11.760 1.00 3.03 H new ATOM 0 HB VAL A 67 12.272 -3.563 11.338 1.00 22.15 H new ATOM 0 HG11 VAL A 67 10.203 -2.247 11.537 1.00 73.51 H new ATOM 0 HG12 VAL A 67 11.002 -2.464 13.113 1.00 73.51 H new ATOM 0 HG13 VAL A 67 11.128 -0.908 12.258 1.00 73.51 H new ATOM 0 HG21 VAL A 67 11.540 -2.148 9.463 1.00 45.24 H new ATOM 0 HG22 VAL A 67 12.521 -0.806 10.098 1.00 45.24 H new ATOM 0 HG23 VAL A 67 13.313 -2.294 9.528 1.00 45.24 H new ATOM 1094 N VAL A 68 13.022 -0.006 13.281 1.00 52.11 N ATOM 1095 CA VAL A 68 13.066 1.440 13.461 1.00 52.32 C ATOM 1096 C VAL A 68 14.440 1.893 13.940 1.00 24.13 C ATOM 1097 O VAL A 68 15.040 2.801 13.366 1.00 1.44 O ATOM 1098 CB VAL A 68 12.001 1.913 14.468 1.00 3.25 C ATOM 1099 CG1 VAL A 68 12.277 3.344 14.905 1.00 23.11 C ATOM 1100 CG2 VAL A 68 10.609 1.789 13.869 1.00 14.31 C ATOM 0 H VAL A 68 12.416 -0.495 13.940 1.00 52.11 H new ATOM 0 HA VAL A 68 12.859 1.886 12.488 1.00 52.32 H new ATOM 0 HB VAL A 68 12.050 1.274 15.349 1.00 3.25 H new ATOM 0 HG11 VAL A 68 11.514 3.661 15.616 1.00 23.11 H new ATOM 0 HG12 VAL A 68 13.258 3.397 15.377 1.00 23.11 H new ATOM 0 HG13 VAL A 68 12.257 4.000 14.035 1.00 23.11 H new ATOM 0 HG21 VAL A 68 9.869 2.128 14.594 1.00 14.31 H new ATOM 0 HG22 VAL A 68 10.544 2.403 12.971 1.00 14.31 H new ATOM 0 HG23 VAL A 68 10.415 0.748 13.612 1.00 14.31 H new ATOM 1110 N GLN A 69 14.933 1.253 14.996 1.00 63.44 N ATOM 1111 CA GLN A 69 16.238 1.590 15.552 1.00 31.05 C ATOM 1112 C GLN A 69 17.317 1.548 14.475 1.00 12.54 C ATOM 1113 O GLN A 69 18.256 2.343 14.495 1.00 43.14 O ATOM 1114 CB GLN A 69 16.596 0.628 16.687 1.00 51.41 C ATOM 1115 CG GLN A 69 16.215 1.145 18.065 1.00 32.51 C ATOM 1116 CD GLN A 69 16.287 0.070 19.132 1.00 64.45 C ATOM 1117 OE1 GLN A 69 15.365 0.118 20.085 1.00 24.20 O flip ATOM 1118 NE2 GLN A 69 17.163 -0.795 19.099 1.00 14.12 N flip ATOM 0 H GLN A 69 14.449 0.499 15.483 1.00 63.44 H new ATOM 0 HA GLN A 69 16.185 2.604 15.947 1.00 31.05 H new ATOM 0 HB2 GLN A 69 16.097 -0.326 16.515 1.00 51.41 H new ATOM 0 HB3 GLN A 69 17.669 0.435 16.664 1.00 51.41 H new ATOM 0 HG2 GLN A 69 16.878 1.966 18.337 1.00 32.51 H new ATOM 0 HG3 GLN A 69 15.204 1.550 18.030 1.00 32.51 H new ATOM 0 HE21 GLN A 69 17.852 -0.794 18.347 1.00 14.12 H new ATOM 0 HE22 GLN A 69 17.199 -1.512 19.823 1.00 14.12 H new ATOM 1127 N GLN A 70 17.175 0.617 13.538 1.00 32.22 N ATOM 1128 CA GLN A 70 18.139 0.472 12.454 1.00 73.23 C ATOM 1129 C GLN A 70 17.966 1.580 11.420 1.00 5.35 C ATOM 1130 O GLN A 70 18.927 1.990 10.770 1.00 41.31 O ATOM 1131 CB GLN A 70 17.983 -0.895 11.784 1.00 51.40 C ATOM 1132 CG GLN A 70 18.746 -2.007 12.486 1.00 53.43 C ATOM 1133 CD GLN A 70 20.247 -1.802 12.442 1.00 62.12 C ATOM 1134 OE1 GLN A 70 20.822 -1.146 13.311 1.00 32.54 O ATOM 1135 NE2 GLN A 70 20.892 -2.364 11.426 1.00 40.11 N ATOM 0 H GLN A 70 16.402 -0.048 13.507 1.00 32.22 H new ATOM 0 HA GLN A 70 19.140 0.549 12.879 1.00 73.23 H new ATOM 0 HB2 GLN A 70 16.925 -1.156 11.752 1.00 51.40 H new ATOM 0 HB3 GLN A 70 18.326 -0.826 10.752 1.00 51.40 H new ATOM 0 HG2 GLN A 70 18.421 -2.066 13.525 1.00 53.43 H new ATOM 0 HG3 GLN A 70 18.500 -2.961 12.021 1.00 53.43 H new ATOM 0 HE21 GLN A 70 20.376 -2.899 10.728 1.00 40.11 H new ATOM 0 HE22 GLN A 70 21.903 -2.260 11.344 1.00 40.11 H new ATOM 1144 N ALA A 71 16.736 2.061 11.275 1.00 71.31 N ATOM 1145 CA ALA A 71 16.438 3.123 10.322 1.00 63.20 C ATOM 1146 C ALA A 71 17.393 4.299 10.496 1.00 54.44 C ATOM 1147 O ALA A 71 17.780 4.947 9.523 1.00 64.22 O ATOM 1148 CB ALA A 71 14.996 3.583 10.478 1.00 64.23 C ATOM 0 H ALA A 71 15.929 1.732 11.806 1.00 71.31 H new ATOM 0 HA ALA A 71 16.573 2.724 9.316 1.00 63.20 H new ATOM 0 HB1 ALA A 71 14.787 4.376 9.760 1.00 64.23 H new ATOM 0 HB2 ALA A 71 14.325 2.744 10.297 1.00 64.23 H new ATOM 0 HB3 ALA A 71 14.841 3.959 11.489 1.00 64.23 H new ATOM 1154 N LYS A 72 17.768 4.572 11.741 1.00 53.22 N ATOM 1155 CA LYS A 72 18.677 5.671 12.043 1.00 24.21 C ATOM 1156 C LYS A 72 19.982 5.526 11.266 1.00 1.42 C ATOM 1157 O LYS A 72 20.587 6.518 10.861 1.00 64.32 O ATOM 1158 CB LYS A 72 18.968 5.721 13.545 1.00 65.33 C ATOM 1159 CG LYS A 72 17.719 5.819 14.403 1.00 5.34 C ATOM 1160 CD LYS A 72 18.057 6.190 15.838 1.00 71.51 C ATOM 1161 CE LYS A 72 18.813 5.071 16.539 1.00 41.40 C ATOM 1162 NZ LYS A 72 19.859 5.600 17.457 1.00 4.32 N ATOM 0 H LYS A 72 17.456 4.047 12.558 1.00 53.22 H new ATOM 0 HA LYS A 72 18.196 6.601 11.741 1.00 24.21 H new ATOM 0 HB2 LYS A 72 19.524 4.828 13.829 1.00 65.33 H new ATOM 0 HB3 LYS A 72 19.610 6.576 13.754 1.00 65.33 H new ATOM 0 HG2 LYS A 72 17.045 6.565 13.982 1.00 5.34 H new ATOM 0 HG3 LYS A 72 17.190 4.866 14.387 1.00 5.34 H new ATOM 0 HD2 LYS A 72 18.658 7.099 15.848 1.00 71.51 H new ATOM 0 HD3 LYS A 72 17.140 6.409 16.384 1.00 71.51 H new ATOM 0 HE2 LYS A 72 18.111 4.456 17.103 1.00 41.40 H new ATOM 0 HE3 LYS A 72 19.277 4.424 15.795 1.00 41.40 H new ATOM 0 HZ1 LYS A 72 20.247 4.821 18.027 1.00 4.32 H new ATOM 0 HZ2 LYS A 72 20.622 6.035 16.900 1.00 4.32 H new ATOM 0 HZ3 LYS A 72 19.440 6.314 18.086 1.00 4.32 H new ATOM 1176 N GLY A 73 20.409 4.284 11.061 1.00 42.01 N ATOM 1177 CA GLY A 73 21.639 4.033 10.332 1.00 53.21 C ATOM 1178 C GLY A 73 21.472 4.210 8.836 1.00 71.13 C ATOM 1179 O GLY A 73 22.453 4.212 8.092 1.00 15.41 O ATOM 0 H GLY A 73 19.925 3.447 11.387 1.00 42.01 H new ATOM 0 HA2 GLY A 73 22.415 4.710 10.691 1.00 53.21 H new ATOM 0 HA3 GLY A 73 21.980 3.019 10.539 1.00 53.21 H new ATOM 1183 N GLN A 74 20.227 4.356 8.394 1.00 40.42 N ATOM 1184 CA GLN A 74 19.936 4.532 6.976 1.00 71.11 C ATOM 1185 C GLN A 74 19.401 5.933 6.699 1.00 0.13 C ATOM 1186 O GLN A 74 18.783 6.180 5.663 1.00 1.35 O ATOM 1187 CB GLN A 74 18.923 3.485 6.508 1.00 3.12 C ATOM 1188 CG GLN A 74 19.222 2.082 7.012 1.00 50.23 C ATOM 1189 CD GLN A 74 20.687 1.714 6.879 1.00 14.03 C ATOM 1190 OE1 GLN A 74 21.349 2.094 5.913 1.00 22.33 O ATOM 1191 NE2 GLN A 74 21.201 0.971 7.852 1.00 33.41 N ATOM 0 H GLN A 74 19.404 4.356 8.997 1.00 40.42 H new ATOM 0 HA GLN A 74 20.866 4.402 6.422 1.00 71.11 H new ATOM 0 HB2 GLN A 74 17.928 3.778 6.843 1.00 3.12 H new ATOM 0 HB3 GLN A 74 18.901 3.474 5.418 1.00 3.12 H new ATOM 0 HG2 GLN A 74 18.925 2.005 8.058 1.00 50.23 H new ATOM 0 HG3 GLN A 74 18.619 1.364 6.456 1.00 50.23 H new ATOM 0 HE21 GLN A 74 20.615 0.679 8.634 1.00 33.41 H new ATOM 0 HE22 GLN A 74 22.182 0.693 7.817 1.00 33.41 H new ATOM 1200 N LYS A 75 19.642 6.848 7.632 1.00 21.24 N ATOM 1201 CA LYS A 75 19.186 8.225 7.490 1.00 50.40 C ATOM 1202 C LYS A 75 17.698 8.274 7.156 1.00 44.20 C ATOM 1203 O LYS A 75 17.298 8.854 6.146 1.00 65.22 O ATOM 1204 CB LYS A 75 19.988 8.940 6.400 1.00 70.32 C ATOM 1205 CG LYS A 75 21.480 8.997 6.681 1.00 74.22 C ATOM 1206 CD LYS A 75 21.808 10.037 7.738 1.00 4.31 C ATOM 1207 CE LYS A 75 21.758 11.447 7.168 1.00 21.50 C ATOM 1208 NZ LYS A 75 22.769 11.647 6.093 1.00 25.45 N ATOM 0 H LYS A 75 20.151 6.660 8.496 1.00 21.24 H new ATOM 0 HA LYS A 75 19.344 8.733 8.441 1.00 50.40 H new ATOM 0 HB2 LYS A 75 19.825 8.433 5.449 1.00 70.32 H new ATOM 0 HB3 LYS A 75 19.609 9.956 6.289 1.00 70.32 H new ATOM 0 HG2 LYS A 75 21.827 8.018 7.012 1.00 74.22 H new ATOM 0 HG3 LYS A 75 22.016 9.230 5.761 1.00 74.22 H new ATOM 0 HD2 LYS A 75 21.102 9.952 8.564 1.00 4.31 H new ATOM 0 HD3 LYS A 75 22.800 9.843 8.145 1.00 4.31 H new ATOM 0 HE2 LYS A 75 20.762 11.643 6.771 1.00 21.50 H new ATOM 0 HE3 LYS A 75 21.930 12.168 7.967 1.00 21.50 H new ATOM 0 HZ1 LYS A 75 22.982 12.661 6.001 1.00 25.45 H new ATOM 0 HZ2 LYS A 75 23.639 11.131 6.334 1.00 25.45 H new ATOM 0 HZ3 LYS A 75 22.393 11.289 5.192 1.00 25.45 H new ATOM 1222 N ILE A 76 16.884 7.664 8.011 1.00 65.13 N ATOM 1223 CA ILE A 76 15.441 7.641 7.807 1.00 64.23 C ATOM 1224 C ILE A 76 14.709 8.271 8.987 1.00 62.14 C ATOM 1225 O ILE A 76 14.983 7.949 10.143 1.00 11.22 O ATOM 1226 CB ILE A 76 14.924 6.204 7.604 1.00 5.30 C ATOM 1227 CG1 ILE A 76 15.827 5.447 6.628 1.00 25.13 C ATOM 1228 CG2 ILE A 76 13.489 6.224 7.100 1.00 43.04 C ATOM 1229 CD1 ILE A 76 15.391 4.019 6.385 1.00 53.33 C ATOM 0 H ILE A 76 17.199 7.179 8.851 1.00 65.13 H new ATOM 0 HA ILE A 76 15.240 8.221 6.906 1.00 64.23 H new ATOM 0 HB ILE A 76 14.944 5.687 8.563 1.00 5.30 H new ATOM 0 HG12 ILE A 76 15.847 5.979 5.677 1.00 25.13 H new ATOM 0 HG13 ILE A 76 16.846 5.446 7.014 1.00 25.13 H new ATOM 0 HG21 ILE A 76 13.138 5.201 6.961 1.00 43.04 H new ATOM 0 HG22 ILE A 76 12.855 6.730 7.828 1.00 43.04 H new ATOM 0 HG23 ILE A 76 13.445 6.755 6.149 1.00 43.04 H new ATOM 0 HD11 ILE A 76 16.077 3.544 5.684 1.00 53.33 H new ATOM 0 HD12 ILE A 76 15.398 3.471 7.327 1.00 53.33 H new ATOM 0 HD13 ILE A 76 14.384 4.012 5.969 1.00 53.33 H new ATOM 1241 N ILE A 77 13.777 9.168 8.686 1.00 14.40 N ATOM 1242 CA ILE A 77 13.003 9.841 9.722 1.00 53.31 C ATOM 1243 C ILE A 77 11.521 9.500 9.610 1.00 53.23 C ATOM 1244 O ILE A 77 10.781 9.578 10.590 1.00 55.32 O ATOM 1245 CB ILE A 77 13.173 11.370 9.648 1.00 2.12 C ATOM 1246 CG1 ILE A 77 14.657 11.738 9.593 1.00 64.45 C ATOM 1247 CG2 ILE A 77 12.501 12.036 10.840 1.00 64.02 C ATOM 1248 CD1 ILE A 77 14.907 13.222 9.445 1.00 2.21 C ATOM 0 H ILE A 77 13.539 9.446 7.734 1.00 14.40 H new ATOM 0 HA ILE A 77 13.384 9.487 10.680 1.00 53.31 H new ATOM 0 HB ILE A 77 12.694 11.730 8.737 1.00 2.12 H new ATOM 0 HG12 ILE A 77 15.144 11.385 10.502 1.00 64.45 H new ATOM 0 HG13 ILE A 77 15.122 11.214 8.758 1.00 64.45 H new ATOM 0 HG21 ILE A 77 12.630 13.116 10.774 1.00 64.02 H new ATOM 0 HG22 ILE A 77 11.438 11.797 10.839 1.00 64.02 H new ATOM 0 HG23 ILE A 77 12.954 11.673 11.763 1.00 64.02 H new ATOM 0 HD11 ILE A 77 15.980 13.409 9.413 1.00 2.21 H new ATOM 0 HD12 ILE A 77 14.449 13.578 8.522 1.00 2.21 H new ATOM 0 HD13 ILE A 77 14.472 13.751 10.293 1.00 2.21 H new ATOM 1260 N GLN A 78 11.096 9.120 8.409 1.00 13.40 N ATOM 1261 CA GLN A 78 9.702 8.766 8.169 1.00 13.15 C ATOM 1262 C GLN A 78 9.286 7.578 9.031 1.00 1.43 C ATOM 1263 O GLN A 78 8.123 7.453 9.415 1.00 52.34 O ATOM 1264 CB GLN A 78 9.483 8.440 6.691 1.00 23.21 C ATOM 1265 CG GLN A 78 9.662 9.637 5.771 1.00 32.41 C ATOM 1266 CD GLN A 78 8.816 10.824 6.187 1.00 3.04 C ATOM 1267 OE1 GLN A 78 7.595 10.817 6.030 1.00 61.04 O ATOM 1268 NE2 GLN A 78 9.463 11.853 6.723 1.00 72.11 N ATOM 0 H GLN A 78 11.697 9.049 7.588 1.00 13.40 H new ATOM 0 HA GLN A 78 9.084 9.622 8.440 1.00 13.15 H new ATOM 0 HB2 GLN A 78 10.179 7.656 6.393 1.00 23.21 H new ATOM 0 HB3 GLN A 78 8.478 8.039 6.561 1.00 23.21 H new ATOM 0 HG2 GLN A 78 10.712 9.929 5.762 1.00 32.41 H new ATOM 0 HG3 GLN A 78 9.402 9.350 4.752 1.00 32.41 H new ATOM 0 HE21 GLN A 78 10.476 11.816 6.835 1.00 72.11 H new ATOM 0 HE22 GLN A 78 8.947 12.680 7.023 1.00 72.11 H new ATOM 1277 N PHE A 79 10.244 6.708 9.333 1.00 42.25 N ATOM 1278 CA PHE A 79 9.977 5.529 10.148 1.00 4.32 C ATOM 1279 C PHE A 79 9.668 5.924 11.589 1.00 30.34 C ATOM 1280 O PHE A 79 8.675 5.480 12.165 1.00 52.10 O ATOM 1281 CB PHE A 79 11.175 4.578 10.114 1.00 70.50 C ATOM 1282 CG PHE A 79 10.969 3.387 9.222 1.00 30.32 C ATOM 1283 CD1 PHE A 79 9.846 2.587 9.360 1.00 14.32 C ATOM 1284 CD2 PHE A 79 11.898 3.067 8.246 1.00 62.24 C ATOM 1285 CE1 PHE A 79 9.654 1.491 8.541 1.00 21.54 C ATOM 1286 CE2 PHE A 79 11.712 1.971 7.423 1.00 11.44 C ATOM 1287 CZ PHE A 79 10.588 1.183 7.571 1.00 33.10 C ATOM 0 H PHE A 79 11.212 6.797 9.025 1.00 42.25 H new ATOM 0 HA PHE A 79 9.106 5.021 9.734 1.00 4.32 H new ATOM 0 HB2 PHE A 79 12.055 5.126 9.777 1.00 70.50 H new ATOM 0 HB3 PHE A 79 11.383 4.232 11.126 1.00 70.50 H new ATOM 0 HD1 PHE A 79 9.112 2.823 10.117 1.00 14.32 H new ATOM 0 HD2 PHE A 79 12.779 3.681 8.126 1.00 62.24 H new ATOM 0 HE1 PHE A 79 8.774 0.876 8.659 1.00 21.54 H new ATOM 0 HE2 PHE A 79 12.444 1.732 6.666 1.00 11.44 H new ATOM 0 HZ PHE A 79 10.439 0.327 6.929 1.00 33.10 H new ATOM 1297 N GLN A 80 10.526 6.759 12.165 1.00 3.42 N ATOM 1298 CA GLN A 80 10.345 7.213 13.539 1.00 25.42 C ATOM 1299 C GLN A 80 9.013 7.936 13.703 1.00 40.42 C ATOM 1300 O GLN A 80 8.321 7.764 14.706 1.00 32.31 O ATOM 1301 CB GLN A 80 11.494 8.135 13.950 1.00 44.45 C ATOM 1302 CG GLN A 80 12.869 7.512 13.769 1.00 42.40 C ATOM 1303 CD GLN A 80 13.989 8.529 13.873 1.00 52.24 C ATOM 1304 OE1 GLN A 80 13.762 9.685 14.230 1.00 52.51 O ATOM 1305 NE2 GLN A 80 15.207 8.103 13.560 1.00 71.21 N ATOM 0 H GLN A 80 11.353 7.135 11.702 1.00 3.42 H new ATOM 0 HA GLN A 80 10.343 6.336 14.187 1.00 25.42 H new ATOM 0 HB2 GLN A 80 11.440 9.052 13.364 1.00 44.45 H new ATOM 0 HB3 GLN A 80 11.367 8.417 14.995 1.00 44.45 H new ATOM 0 HG2 GLN A 80 13.015 6.738 14.523 1.00 42.40 H new ATOM 0 HG3 GLN A 80 12.917 7.023 12.796 1.00 42.40 H new ATOM 0 HE21 GLN A 80 15.350 7.136 13.269 1.00 71.21 H new ATOM 0 HE22 GLN A 80 16.000 8.743 13.611 1.00 71.21 H new ATOM 1314 N ASP A 81 8.660 8.747 12.711 1.00 22.12 N ATOM 1315 CA ASP A 81 7.410 9.497 12.745 1.00 70.12 C ATOM 1316 C ASP A 81 6.218 8.577 12.503 1.00 74.44 C ATOM 1317 O ASP A 81 5.213 8.646 13.211 1.00 41.43 O ATOM 1318 CB ASP A 81 7.431 10.611 11.698 1.00 53.44 C ATOM 1319 CG ASP A 81 6.196 11.489 11.762 1.00 42.14 C ATOM 1320 OD1 ASP A 81 5.787 11.858 12.883 1.00 65.12 O ATOM 1321 OD2 ASP A 81 5.639 11.808 10.691 1.00 63.25 O ATOM 0 H ASP A 81 9.222 8.901 11.874 1.00 22.12 H new ATOM 0 HA ASP A 81 7.308 9.941 13.735 1.00 70.12 H new ATOM 0 HB2 ASP A 81 8.319 11.226 11.844 1.00 53.44 H new ATOM 0 HB3 ASP A 81 7.509 10.170 10.704 1.00 53.44 H new ATOM 1326 N SER A 82 6.336 7.715 11.497 1.00 12.50 N ATOM 1327 CA SER A 82 5.266 6.785 11.158 1.00 32.41 C ATOM 1328 C SER A 82 4.976 5.842 12.323 1.00 43.44 C ATOM 1329 O SER A 82 3.836 5.725 12.773 1.00 64.03 O ATOM 1330 CB SER A 82 5.639 5.976 9.914 1.00 3.30 C ATOM 1331 OG SER A 82 6.807 5.205 10.139 1.00 53.05 O ATOM 0 H SER A 82 7.162 7.642 10.903 1.00 12.50 H new ATOM 0 HA SER A 82 4.367 7.365 10.950 1.00 32.41 H new ATOM 0 HB2 SER A 82 4.813 5.319 9.642 1.00 3.30 H new ATOM 0 HB3 SER A 82 5.801 6.650 9.073 1.00 3.30 H new ATOM 0 HG SER A 82 7.024 4.696 9.330 1.00 53.05 H new ATOM 1337 N PHE A 83 6.017 5.172 12.806 1.00 1.42 N ATOM 1338 CA PHE A 83 5.876 4.239 13.918 1.00 41.13 C ATOM 1339 C PHE A 83 5.701 4.986 15.237 1.00 45.54 C ATOM 1340 O PHE A 83 5.231 4.424 16.224 1.00 31.31 O ATOM 1341 CB PHE A 83 7.096 3.320 13.997 1.00 25.43 C ATOM 1342 CG PHE A 83 6.942 2.049 13.211 1.00 1.20 C ATOM 1343 CD1 PHE A 83 5.858 1.214 13.425 1.00 33.35 C ATOM 1344 CD2 PHE A 83 7.881 1.691 12.257 1.00 31.22 C ATOM 1345 CE1 PHE A 83 5.714 0.044 12.704 1.00 72.21 C ATOM 1346 CE2 PHE A 83 7.742 0.522 11.532 1.00 0.21 C ATOM 1347 CZ PHE A 83 6.656 -0.302 11.755 1.00 4.22 C ATOM 0 H PHE A 83 6.967 5.258 12.445 1.00 1.42 H new ATOM 0 HA PHE A 83 4.985 3.635 13.743 1.00 41.13 H new ATOM 0 HB2 PHE A 83 7.971 3.859 13.633 1.00 25.43 H new ATOM 0 HB3 PHE A 83 7.286 3.071 15.041 1.00 25.43 H new ATOM 0 HD1 PHE A 83 5.117 1.480 14.164 1.00 33.35 H new ATOM 0 HD2 PHE A 83 8.731 2.332 12.078 1.00 31.22 H new ATOM 0 HE1 PHE A 83 4.865 -0.600 12.882 1.00 72.21 H new ATOM 0 HE2 PHE A 83 8.482 0.253 10.792 1.00 0.21 H new ATOM 0 HZ PHE A 83 6.544 -1.215 11.189 1.00 4.22 H new ATOM 1357 N GLY A 84 6.085 6.260 15.244 1.00 64.50 N ATOM 1358 CA GLY A 84 5.965 7.064 16.446 1.00 75.21 C ATOM 1359 C GLY A 84 4.563 7.606 16.642 1.00 52.52 C ATOM 1360 O GLY A 84 4.072 7.687 17.768 1.00 54.41 O ATOM 0 H GLY A 84 6.477 6.749 14.439 1.00 64.50 H new ATOM 0 HA2 GLY A 84 6.243 6.462 17.311 1.00 75.21 H new ATOM 0 HA3 GLY A 84 6.669 7.895 16.396 1.00 75.21 H new ATOM 1364 N LYS A 85 3.916 7.981 15.543 1.00 4.42 N ATOM 1365 CA LYS A 85 2.563 8.520 15.598 1.00 54.13 C ATOM 1366 C LYS A 85 1.569 7.450 16.038 1.00 14.33 C ATOM 1367 O LYS A 85 0.438 7.757 16.418 1.00 5.30 O ATOM 1368 CB LYS A 85 2.157 9.076 14.231 1.00 63.24 C ATOM 1369 CG LYS A 85 2.126 8.027 13.133 1.00 62.15 C ATOM 1370 CD LYS A 85 1.048 8.327 12.105 1.00 51.01 C ATOM 1371 CE LYS A 85 1.388 9.562 11.285 1.00 52.12 C ATOM 1372 NZ LYS A 85 0.659 9.583 9.986 1.00 1.43 N ATOM 0 H LYS A 85 4.308 7.921 14.603 1.00 4.42 H new ATOM 0 HA LYS A 85 2.550 9.327 16.330 1.00 54.13 H new ATOM 0 HB2 LYS A 85 1.171 9.534 14.312 1.00 63.24 H new ATOM 0 HB3 LYS A 85 2.853 9.866 13.948 1.00 63.24 H new ATOM 0 HG2 LYS A 85 3.098 7.985 12.641 1.00 62.15 H new ATOM 0 HG3 LYS A 85 1.948 7.045 13.572 1.00 62.15 H new ATOM 0 HD2 LYS A 85 0.928 7.470 11.442 1.00 51.01 H new ATOM 0 HD3 LYS A 85 0.094 8.476 12.610 1.00 51.01 H new ATOM 0 HE2 LYS A 85 1.139 10.457 11.856 1.00 52.12 H new ATOM 0 HE3 LYS A 85 2.462 9.591 11.099 1.00 52.12 H new ATOM 0 HZ1 LYS A 85 0.918 10.440 9.457 1.00 1.43 H new ATOM 0 HZ2 LYS A 85 0.916 8.742 9.430 1.00 1.43 H new ATOM 0 HZ3 LYS A 85 -0.366 9.582 10.163 1.00 1.43 H new ATOM 1386 N VAL A 86 1.997 6.193 15.987 1.00 44.24 N ATOM 1387 CA VAL A 86 1.146 5.078 16.383 1.00 51.01 C ATOM 1388 C VAL A 86 1.747 4.319 17.560 1.00 20.05 C ATOM 1389 O VAL A 86 1.146 3.377 18.077 1.00 42.40 O ATOM 1390 CB VAL A 86 0.923 4.099 15.215 1.00 64.11 C ATOM 1391 CG1 VAL A 86 0.318 4.821 14.021 1.00 62.23 C ATOM 1392 CG2 VAL A 86 2.230 3.421 14.832 1.00 24.03 C ATOM 0 H VAL A 86 2.929 5.921 15.675 1.00 44.24 H new ATOM 0 HA VAL A 86 0.187 5.502 16.680 1.00 51.01 H new ATOM 0 HB VAL A 86 0.221 3.330 15.537 1.00 64.11 H new ATOM 0 HG11 VAL A 86 0.168 4.113 13.206 1.00 62.23 H new ATOM 0 HG12 VAL A 86 -0.640 5.255 14.306 1.00 62.23 H new ATOM 0 HG13 VAL A 86 0.992 5.613 13.695 1.00 62.23 H new ATOM 0 HG21 VAL A 86 2.054 2.733 14.005 1.00 24.03 H new ATOM 0 HG22 VAL A 86 2.956 4.175 14.528 1.00 24.03 H new ATOM 0 HG23 VAL A 86 2.618 2.869 15.688 1.00 24.03 H new ATOM 1402 N ALA A 87 2.937 4.736 17.981 1.00 71.23 N ATOM 1403 CA ALA A 87 3.619 4.097 19.099 1.00 11.04 C ATOM 1404 C ALA A 87 2.957 4.459 20.425 1.00 61.03 C ATOM 1405 O ALA A 87 2.655 3.586 21.237 1.00 33.41 O ATOM 1406 CB ALA A 87 5.088 4.491 19.116 1.00 24.11 C ATOM 0 H ALA A 87 3.448 5.514 17.564 1.00 71.23 H new ATOM 0 HA ALA A 87 3.545 3.017 18.968 1.00 11.04 H new ATOM 0 HB1 ALA A 87 5.585 4.006 19.956 1.00 24.11 H new ATOM 0 HB2 ALA A 87 5.560 4.177 18.185 1.00 24.11 H new ATOM 0 HB3 ALA A 87 5.173 5.573 19.219 1.00 24.11 H new ATOM 1412 N ALA A 88 2.736 5.752 20.636 1.00 13.25 N ATOM 1413 CA ALA A 88 2.109 6.229 21.863 1.00 74.01 C ATOM 1414 C ALA A 88 0.727 5.610 22.050 1.00 44.34 C ATOM 1415 O ALA A 88 0.273 5.415 23.176 1.00 34.21 O ATOM 1416 CB ALA A 88 2.012 7.747 21.850 1.00 14.32 C ATOM 0 H ALA A 88 2.982 6.488 19.974 1.00 13.25 H new ATOM 0 HA ALA A 88 2.732 5.923 22.703 1.00 74.01 H new ATOM 0 HB1 ALA A 88 1.542 8.089 22.772 1.00 14.32 H new ATOM 0 HB2 ALA A 88 3.011 8.175 21.772 1.00 14.32 H new ATOM 0 HB3 ALA A 88 1.413 8.066 20.997 1.00 14.32 H new ATOM 1422 N GLU A 89 0.065 5.305 20.938 1.00 43.21 N ATOM 1423 CA GLU A 89 -1.265 4.710 20.981 1.00 71.00 C ATOM 1424 C GLU A 89 -1.182 3.212 21.259 1.00 72.35 C ATOM 1425 O GLU A 89 -1.756 2.716 22.228 1.00 32.12 O ATOM 1426 CB GLU A 89 -2.001 4.955 19.662 1.00 42.50 C ATOM 1427 CG GLU A 89 -3.507 4.783 19.764 1.00 51.40 C ATOM 1428 CD GLU A 89 -4.172 5.907 20.536 1.00 64.21 C ATOM 1429 OE1 GLU A 89 -4.218 7.039 20.012 1.00 51.43 O ATOM 1430 OE2 GLU A 89 -4.645 5.654 21.663 1.00 25.25 O ATOM 0 H GLU A 89 0.428 5.460 19.997 1.00 43.21 H new ATOM 0 HA GLU A 89 -1.820 5.182 21.791 1.00 71.00 H new ATOM 0 HB2 GLU A 89 -1.782 5.965 19.316 1.00 42.50 H new ATOM 0 HB3 GLU A 89 -1.616 4.269 18.908 1.00 42.50 H new ATOM 0 HG2 GLU A 89 -3.932 4.735 18.761 1.00 51.40 H new ATOM 0 HG3 GLU A 89 -3.728 3.833 20.250 1.00 51.40 H new ATOM 1437 N VAL A 90 -0.464 2.496 20.399 1.00 22.44 N ATOM 1438 CA VAL A 90 -0.305 1.054 20.551 1.00 5.32 C ATOM 1439 C VAL A 90 0.352 0.711 21.884 1.00 52.22 C ATOM 1440 O VAL A 90 -0.208 -0.032 22.691 1.00 11.43 O ATOM 1441 CB VAL A 90 0.539 0.459 19.408 1.00 53.31 C ATOM 1442 CG1 VAL A 90 0.735 -1.035 19.611 1.00 74.54 C ATOM 1443 CG2 VAL A 90 -0.113 0.742 18.063 1.00 40.32 C ATOM 0 H VAL A 90 0.016 2.891 19.590 1.00 22.44 H new ATOM 0 HA VAL A 90 -1.304 0.620 20.519 1.00 5.32 H new ATOM 0 HB VAL A 90 1.520 0.934 19.418 1.00 53.31 H new ATOM 0 HG11 VAL A 90 1.333 -1.438 18.794 1.00 74.54 H new ATOM 0 HG12 VAL A 90 1.248 -1.209 20.557 1.00 74.54 H new ATOM 0 HG13 VAL A 90 -0.236 -1.530 19.628 1.00 74.54 H new ATOM 0 HG21 VAL A 90 0.496 0.315 17.266 1.00 40.32 H new ATOM 0 HG22 VAL A 90 -1.107 0.295 18.039 1.00 40.32 H new ATOM 0 HG23 VAL A 90 -0.196 1.819 17.918 1.00 40.32 H new ATOM 1453 N LEU A 91 1.542 1.257 22.108 1.00 30.14 N ATOM 1454 CA LEU A 91 2.276 1.010 23.345 1.00 61.54 C ATOM 1455 C LEU A 91 1.396 1.272 24.562 1.00 10.24 C ATOM 1456 O LEU A 91 1.503 0.586 25.578 1.00 52.01 O ATOM 1457 CB LEU A 91 3.525 1.891 23.404 1.00 21.42 C ATOM 1458 CG LEU A 91 4.553 1.674 22.293 1.00 53.34 C ATOM 1459 CD1 LEU A 91 5.498 2.862 22.201 1.00 54.43 C ATOM 1460 CD2 LEU A 91 5.331 0.388 22.529 1.00 42.31 C ATOM 0 H LEU A 91 2.019 1.873 21.450 1.00 30.14 H new ATOM 0 HA LEU A 91 2.577 -0.038 23.357 1.00 61.54 H new ATOM 0 HB2 LEU A 91 3.210 2.934 23.382 1.00 21.42 H new ATOM 0 HB3 LEU A 91 4.016 1.727 24.363 1.00 21.42 H new ATOM 0 HG LEU A 91 4.022 1.584 21.345 1.00 53.34 H new ATOM 0 HD11 LEU A 91 6.223 2.690 21.405 1.00 54.43 H new ATOM 0 HD12 LEU A 91 4.927 3.765 21.983 1.00 54.43 H new ATOM 0 HD13 LEU A 91 6.022 2.984 23.149 1.00 54.43 H new ATOM 0 HD21 LEU A 91 6.058 0.250 21.728 1.00 42.31 H new ATOM 0 HD22 LEU A 91 5.851 0.448 23.485 1.00 42.31 H new ATOM 0 HD23 LEU A 91 4.642 -0.457 22.543 1.00 42.31 H new ATOM 1472 N GLY A 92 0.524 2.270 24.452 1.00 30.01 N ATOM 1473 CA GLY A 92 -0.364 2.604 25.550 1.00 4.35 C ATOM 1474 C GLY A 92 -1.520 1.633 25.678 1.00 60.42 C ATOM 1475 O GLY A 92 -2.025 1.399 26.776 1.00 55.42 O ATOM 0 H GLY A 92 0.417 2.853 23.622 1.00 30.01 H new ATOM 0 HA2 GLY A 92 0.203 2.614 26.481 1.00 4.35 H new ATOM 0 HA3 GLY A 92 -0.754 3.611 25.404 1.00 4.35 H new ATOM 1479 N ARG A 93 -1.941 1.066 24.552 1.00 71.40 N ATOM 1480 CA ARG A 93 -3.047 0.116 24.542 1.00 13.11 C ATOM 1481 C ARG A 93 -2.578 -1.270 24.976 1.00 14.41 C ATOM 1482 O ARG A 93 -3.319 -2.012 25.622 1.00 63.12 O ATOM 1483 CB ARG A 93 -3.671 0.041 23.147 1.00 1.41 C ATOM 1484 CG ARG A 93 -4.815 1.020 22.938 1.00 33.45 C ATOM 1485 CD ARG A 93 -5.997 0.696 23.840 1.00 65.43 C ATOM 1486 NE ARG A 93 -7.249 1.232 23.315 1.00 51.44 N ATOM 1487 CZ ARG A 93 -7.595 2.512 23.404 1.00 61.15 C ATOM 1488 NH1 ARG A 93 -6.786 3.381 23.993 1.00 10.24 N ATOM 1489 NH2 ARG A 93 -8.752 2.924 22.901 1.00 2.22 N ATOM 0 H ARG A 93 -1.533 1.248 23.635 1.00 71.40 H new ATOM 0 HA ARG A 93 -3.798 0.465 25.250 1.00 13.11 H new ATOM 0 HB2 ARG A 93 -2.899 0.233 22.402 1.00 1.41 H new ATOM 0 HB3 ARG A 93 -4.035 -0.972 22.975 1.00 1.41 H new ATOM 0 HG2 ARG A 93 -4.469 2.034 23.139 1.00 33.45 H new ATOM 0 HG3 ARG A 93 -5.133 0.993 21.896 1.00 33.45 H new ATOM 0 HD2 ARG A 93 -6.083 -0.385 23.950 1.00 65.43 H new ATOM 0 HD3 ARG A 93 -5.817 1.104 24.834 1.00 65.43 H new ATOM 0 HE ARG A 93 -7.893 0.589 22.855 1.00 51.44 H new ATOM 0 HH11 ARG A 93 -5.895 3.068 24.379 1.00 10.24 H new ATOM 0 HH12 ARG A 93 -7.054 4.363 24.060 1.00 10.24 H new ATOM 0 HH21 ARG A 93 -9.376 2.258 22.446 1.00 2.22 H new ATOM 0 HH22 ARG A 93 -9.017 3.907 22.970 1.00 2.22 H new ATOM 1503 N ILE A 94 -1.345 -1.611 24.617 1.00 55.32 N ATOM 1504 CA ILE A 94 -0.778 -2.906 24.970 1.00 73.24 C ATOM 1505 C ILE A 94 -0.200 -2.887 26.380 1.00 20.34 C ATOM 1506 O ILE A 94 -0.146 -3.916 27.054 1.00 45.45 O ATOM 1507 CB ILE A 94 0.325 -3.326 23.980 1.00 32.12 C ATOM 1508 CG1 ILE A 94 1.529 -2.389 24.098 1.00 71.54 C ATOM 1509 CG2 ILE A 94 -0.213 -3.330 22.557 1.00 15.02 C ATOM 1510 CD1 ILE A 94 2.659 -2.737 23.154 1.00 52.34 C ATOM 0 H ILE A 94 -0.720 -1.008 24.082 1.00 55.32 H new ATOM 0 HA ILE A 94 -1.591 -3.630 24.924 1.00 73.24 H new ATOM 0 HB ILE A 94 0.649 -4.337 24.227 1.00 32.12 H new ATOM 0 HG12 ILE A 94 1.205 -1.367 23.903 1.00 71.54 H new ATOM 0 HG13 ILE A 94 1.901 -2.415 25.122 1.00 71.54 H new ATOM 0 HG21 ILE A 94 0.578 -3.629 21.870 1.00 15.02 H new ATOM 0 HG22 ILE A 94 -1.042 -4.034 22.484 1.00 15.02 H new ATOM 0 HG23 ILE A 94 -0.561 -2.330 22.297 1.00 15.02 H new ATOM 0 HD11 ILE A 94 3.479 -2.032 23.292 1.00 52.34 H new ATOM 0 HD12 ILE A 94 3.010 -3.747 23.364 1.00 52.34 H new ATOM 0 HD13 ILE A 94 2.303 -2.683 22.125 1.00 52.34 H new ATOM 1522 N ASN A 95 0.229 -1.710 26.822 1.00 5.33 N ATOM 1523 CA ASN A 95 0.803 -1.556 28.154 1.00 31.04 C ATOM 1524 C ASN A 95 -0.211 -1.934 29.230 1.00 50.10 C ATOM 1525 O ASN A 95 0.157 -2.420 30.299 1.00 74.41 O ATOM 1526 CB ASN A 95 1.275 -0.116 28.366 1.00 21.21 C ATOM 1527 CG ASN A 95 1.637 0.167 29.811 1.00 22.03 C ATOM 1528 OD1 ASN A 95 0.677 0.678 30.573 1.00 62.32 O flip ATOM 1529 ND2 ASN A 95 2.767 -0.071 30.238 1.00 74.05 N flip ATOM 0 H ASN A 95 0.190 -0.848 26.277 1.00 5.33 H new ATOM 0 HA ASN A 95 1.658 -2.227 28.233 1.00 31.04 H new ATOM 0 HB2 ASN A 95 2.141 0.076 27.733 1.00 21.21 H new ATOM 0 HB3 ASN A 95 0.490 0.571 28.050 1.00 21.21 H new ATOM 0 HD21 ASN A 95 3.475 -0.464 29.617 1.00 74.05 H new ATOM 0 HD22 ASN A 95 2.996 0.125 31.213 1.00 74.05 H new ATOM 1536 N GLN A 96 -1.488 -1.707 28.938 1.00 44.20 N ATOM 1537 CA GLN A 96 -2.554 -2.024 29.880 1.00 13.54 C ATOM 1538 C GLN A 96 -2.974 -3.484 29.756 1.00 34.31 C ATOM 1539 O GLN A 96 -3.322 -4.126 30.747 1.00 53.31 O ATOM 1540 CB GLN A 96 -3.760 -1.112 29.644 1.00 44.10 C ATOM 1541 CG GLN A 96 -4.262 -1.127 28.209 1.00 31.54 C ATOM 1542 CD GLN A 96 -5.555 -0.356 28.036 1.00 54.24 C ATOM 1543 OE1 GLN A 96 -6.646 -0.918 28.139 1.00 0.01 O ATOM 1544 NE2 GLN A 96 -5.441 0.940 27.770 1.00 44.22 N ATOM 0 H GLN A 96 -1.809 -1.305 28.057 1.00 44.20 H new ATOM 0 HA GLN A 96 -2.174 -1.859 30.888 1.00 13.54 H new ATOM 0 HB2 GLN A 96 -4.570 -1.416 30.307 1.00 44.10 H new ATOM 0 HB3 GLN A 96 -3.492 -0.091 29.916 1.00 44.10 H new ATOM 0 HG2 GLN A 96 -3.499 -0.701 27.557 1.00 31.54 H new ATOM 0 HG3 GLN A 96 -4.413 -2.159 27.892 1.00 31.54 H new ATOM 0 HE21 GLN A 96 -4.517 1.366 27.693 1.00 44.22 H new ATOM 0 HE22 GLN A 96 -6.277 1.510 27.643 1.00 44.22 H new ATOM 1553 N GLU A 97 -2.940 -4.003 28.533 1.00 63.14 N ATOM 1554 CA GLU A 97 -3.318 -5.388 28.280 1.00 75.41 C ATOM 1555 C GLU A 97 -2.195 -6.341 28.678 1.00 44.14 C ATOM 1556 O GLU A 97 -2.416 -7.538 28.859 1.00 23.43 O ATOM 1557 CB GLU A 97 -3.669 -5.583 26.803 1.00 25.42 C ATOM 1558 CG GLU A 97 -4.922 -4.842 26.372 1.00 55.32 C ATOM 1559 CD GLU A 97 -6.193 -5.509 26.862 1.00 62.10 C ATOM 1560 OE1 GLU A 97 -6.527 -6.598 26.351 1.00 64.30 O ATOM 1561 OE2 GLU A 97 -6.853 -4.941 27.757 1.00 21.34 O ATOM 0 H GLU A 97 -2.655 -3.485 27.702 1.00 63.14 H new ATOM 0 HA GLU A 97 -4.194 -5.615 28.887 1.00 75.41 H new ATOM 0 HB2 GLU A 97 -2.831 -5.248 26.192 1.00 25.42 H new ATOM 0 HB3 GLU A 97 -3.801 -6.647 26.607 1.00 25.42 H new ATOM 0 HG2 GLU A 97 -4.883 -3.820 26.750 1.00 55.32 H new ATOM 0 HG3 GLU A 97 -4.946 -4.779 25.284 1.00 55.32 H new ATOM 1568 N PHE A 98 -0.988 -5.800 28.811 1.00 60.25 N ATOM 1569 CA PHE A 98 0.172 -6.601 29.185 1.00 33.10 C ATOM 1570 C PHE A 98 0.192 -6.858 30.689 1.00 63.41 C ATOM 1571 O PHE A 98 -0.160 -5.998 31.496 1.00 23.24 O ATOM 1572 CB PHE A 98 1.462 -5.899 28.759 1.00 44.43 C ATOM 1573 CG PHE A 98 1.881 -6.215 27.351 1.00 34.43 C ATOM 1574 CD1 PHE A 98 0.934 -6.503 26.381 1.00 32.45 C ATOM 1575 CD2 PHE A 98 3.220 -6.225 26.998 1.00 3.30 C ATOM 1576 CE1 PHE A 98 1.316 -6.796 25.086 1.00 41.00 C ATOM 1577 CE2 PHE A 98 3.609 -6.516 25.704 1.00 74.21 C ATOM 1578 CZ PHE A 98 2.655 -6.801 24.746 1.00 30.24 C ATOM 0 H PHE A 98 -0.788 -4.810 28.665 1.00 60.25 H new ATOM 0 HA PHE A 98 0.102 -7.560 28.671 1.00 33.10 H new ATOM 0 HB2 PHE A 98 1.329 -4.822 28.857 1.00 44.43 H new ATOM 0 HB3 PHE A 98 2.263 -6.184 29.441 1.00 44.43 H new ATOM 0 HD1 PHE A 98 -0.114 -6.498 26.640 1.00 32.45 H new ATOM 0 HD2 PHE A 98 3.970 -6.003 27.743 1.00 3.30 H new ATOM 0 HE1 PHE A 98 0.568 -7.021 24.340 1.00 41.00 H new ATOM 0 HE2 PHE A 98 4.657 -6.521 25.442 1.00 74.21 H new ATOM 0 HZ PHE A 98 2.955 -7.027 23.734 1.00 30.24 H new ATOM 1588 N PRO A 99 0.614 -8.072 31.075 1.00 11.44 N ATOM 1589 CA PRO A 99 0.691 -8.472 32.484 1.00 52.54 C ATOM 1590 C PRO A 99 1.798 -7.740 33.234 1.00 10.34 C ATOM 1591 O PRO A 99 2.576 -6.994 32.640 1.00 41.15 O ATOM 1592 CB PRO A 99 0.994 -9.970 32.411 1.00 63.13 C ATOM 1593 CG PRO A 99 1.666 -10.157 31.094 1.00 33.00 C ATOM 1594 CD PRO A 99 1.049 -9.146 30.167 1.00 34.33 C ATOM 0 HA PRO A 99 -0.224 -8.235 33.026 1.00 52.54 H new ATOM 0 HB2 PRO A 99 1.638 -10.284 33.232 1.00 63.13 H new ATOM 0 HB3 PRO A 99 0.081 -10.562 32.477 1.00 63.13 H new ATOM 0 HG2 PRO A 99 2.742 -10.003 31.179 1.00 33.00 H new ATOM 0 HG3 PRO A 99 1.518 -11.170 30.721 1.00 33.00 H new ATOM 0 HD2 PRO A 99 1.767 -8.784 29.432 1.00 34.33 H new ATOM 0 HD3 PRO A 99 0.211 -9.568 29.613 1.00 34.33 H new ATOM 1602 N ARG A 100 1.863 -7.958 34.544 1.00 61.13 N ATOM 1603 CA ARG A 100 2.875 -7.318 35.376 1.00 61.34 C ATOM 1604 C ARG A 100 4.275 -7.783 34.984 1.00 75.34 C ATOM 1605 O ARG A 100 5.263 -7.096 35.241 1.00 12.22 O ATOM 1606 CB ARG A 100 2.620 -7.624 36.853 1.00 74.14 C ATOM 1607 CG ARG A 100 3.272 -6.632 37.802 1.00 71.24 C ATOM 1608 CD ARG A 100 2.491 -5.329 37.868 1.00 44.31 C ATOM 1609 NE ARG A 100 3.072 -4.391 38.825 1.00 21.12 N ATOM 1610 CZ ARG A 100 3.027 -4.563 40.142 1.00 43.34 C ATOM 1611 NH1 ARG A 100 2.432 -5.631 40.654 1.00 3.14 N ATOM 1612 NH2 ARG A 100 3.579 -3.665 40.948 1.00 12.11 N ATOM 0 H ARG A 100 1.227 -8.573 35.052 1.00 61.13 H new ATOM 0 HA ARG A 100 2.811 -6.241 35.218 1.00 61.34 H new ATOM 0 HB2 ARG A 100 1.545 -7.633 37.033 1.00 74.14 H new ATOM 0 HB3 ARG A 100 2.989 -8.625 37.077 1.00 74.14 H new ATOM 0 HG2 ARG A 100 3.338 -7.069 38.798 1.00 71.24 H new ATOM 0 HG3 ARG A 100 4.292 -6.430 37.475 1.00 71.24 H new ATOM 0 HD2 ARG A 100 2.467 -4.870 36.880 1.00 44.31 H new ATOM 0 HD3 ARG A 100 1.458 -5.539 38.147 1.00 44.31 H new ATOM 0 HE ARG A 100 3.538 -3.559 38.463 1.00 21.12 H new ATOM 0 HH11 ARG A 100 2.007 -6.323 40.037 1.00 3.14 H new ATOM 0 HH12 ARG A 100 2.399 -5.761 41.665 1.00 3.14 H new ATOM 0 HH21 ARG A 100 4.038 -2.842 40.557 1.00 12.11 H new ATOM 0 HH22 ARG A 100 3.544 -3.797 41.959 1.00 12.11 H new ATOM 1626 N ASP A 101 4.350 -8.954 34.360 1.00 2.12 N ATOM 1627 CA ASP A 101 5.628 -9.511 33.932 1.00 42.10 C ATOM 1628 C ASP A 101 6.147 -8.790 32.692 1.00 41.31 C ATOM 1629 O ASP A 101 7.301 -8.361 32.647 1.00 12.44 O ATOM 1630 CB ASP A 101 5.486 -11.007 33.645 1.00 5.45 C ATOM 1631 CG ASP A 101 6.794 -11.755 33.816 1.00 32.22 C ATOM 1632 OD1 ASP A 101 7.548 -11.866 32.827 1.00 43.50 O ATOM 1633 OD2 ASP A 101 7.063 -12.230 34.939 1.00 12.23 O ATOM 0 H ASP A 101 3.541 -9.535 34.140 1.00 2.12 H new ATOM 0 HA ASP A 101 6.346 -9.370 34.740 1.00 42.10 H new ATOM 0 HB2 ASP A 101 4.737 -11.433 34.313 1.00 5.45 H new ATOM 0 HB3 ASP A 101 5.121 -11.146 32.627 1.00 5.45 H new ATOM 1638 N LEU A 102 5.289 -8.661 31.686 1.00 14.44 N ATOM 1639 CA LEU A 102 5.660 -7.992 30.444 1.00 22.12 C ATOM 1640 C LEU A 102 5.859 -6.497 30.669 1.00 42.30 C ATOM 1641 O LEU A 102 6.637 -5.850 29.967 1.00 25.23 O ATOM 1642 CB LEU A 102 4.587 -8.221 29.378 1.00 3.11 C ATOM 1643 CG LEU A 102 4.423 -9.660 28.889 1.00 64.22 C ATOM 1644 CD1 LEU A 102 3.437 -9.722 27.733 1.00 61.01 C ATOM 1645 CD2 LEU A 102 5.769 -10.240 28.476 1.00 53.51 C ATOM 0 H LEU A 102 4.331 -9.011 31.706 1.00 14.44 H new ATOM 0 HA LEU A 102 6.603 -8.417 30.099 1.00 22.12 H new ATOM 0 HB2 LEU A 102 3.630 -7.882 29.776 1.00 3.11 H new ATOM 0 HB3 LEU A 102 4.816 -7.590 28.519 1.00 3.11 H new ATOM 0 HG LEU A 102 4.028 -10.259 29.709 1.00 64.22 H new ATOM 0 HD11 LEU A 102 3.333 -10.754 27.398 1.00 61.01 H new ATOM 0 HD12 LEU A 102 2.467 -9.348 28.061 1.00 61.01 H new ATOM 0 HD13 LEU A 102 3.803 -9.109 26.910 1.00 61.01 H new ATOM 0 HD21 LEU A 102 5.633 -11.265 28.131 1.00 53.51 H new ATOM 0 HD22 LEU A 102 6.193 -9.639 27.671 1.00 53.51 H new ATOM 0 HD23 LEU A 102 6.446 -10.232 29.330 1.00 53.51 H new ATOM 1657 N LYS A 103 5.152 -5.952 31.654 1.00 62.54 N ATOM 1658 CA LYS A 103 5.253 -4.534 31.975 1.00 53.32 C ATOM 1659 C LYS A 103 6.709 -4.120 32.160 1.00 50.54 C ATOM 1660 O LYS A 103 7.130 -3.063 31.688 1.00 55.20 O ATOM 1661 CB LYS A 103 4.457 -4.219 33.244 1.00 70.43 C ATOM 1662 CG LYS A 103 2.988 -3.931 32.985 1.00 63.21 C ATOM 1663 CD LYS A 103 2.539 -2.658 33.682 1.00 74.11 C ATOM 1664 CE LYS A 103 1.268 -2.101 33.059 1.00 11.40 C ATOM 1665 NZ LYS A 103 0.177 -3.114 33.024 1.00 51.42 N ATOM 0 H LYS A 103 4.502 -6.472 32.244 1.00 62.54 H new ATOM 0 HA LYS A 103 4.836 -3.968 31.142 1.00 53.32 H new ATOM 0 HB2 LYS A 103 4.538 -5.061 33.932 1.00 70.43 H new ATOM 0 HB3 LYS A 103 4.905 -3.358 33.740 1.00 70.43 H new ATOM 0 HG2 LYS A 103 2.818 -3.839 31.912 1.00 63.21 H new ATOM 0 HG3 LYS A 103 2.385 -4.770 33.333 1.00 63.21 H new ATOM 0 HD2 LYS A 103 2.369 -2.861 34.739 1.00 74.11 H new ATOM 0 HD3 LYS A 103 3.331 -1.912 33.625 1.00 74.11 H new ATOM 0 HE2 LYS A 103 0.937 -1.231 33.626 1.00 11.40 H new ATOM 0 HE3 LYS A 103 1.480 -1.760 32.046 1.00 11.40 H new ATOM 0 HZ1 LYS A 103 -0.042 -3.355 32.036 1.00 51.42 H new ATOM 0 HZ2 LYS A 103 0.482 -3.970 33.529 1.00 51.42 H new ATOM 0 HZ3 LYS A 103 -0.672 -2.726 33.482 1.00 51.42 H new ATOM 1679 N LYS A 104 7.475 -4.959 32.848 1.00 63.04 N ATOM 1680 CA LYS A 104 8.886 -4.682 33.093 1.00 72.32 C ATOM 1681 C LYS A 104 9.689 -4.760 31.798 1.00 34.21 C ATOM 1682 O LYS A 104 10.583 -3.948 31.560 1.00 20.31 O ATOM 1683 CB LYS A 104 9.450 -5.671 34.116 1.00 43.24 C ATOM 1684 CG LYS A 104 8.605 -5.796 35.372 1.00 42.45 C ATOM 1685 CD LYS A 104 8.707 -4.551 36.238 1.00 73.41 C ATOM 1686 CE LYS A 104 9.973 -4.561 37.080 1.00 2.52 C ATOM 1687 NZ LYS A 104 9.866 -3.650 38.253 1.00 13.52 N ATOM 0 H LYS A 104 7.143 -5.837 33.246 1.00 63.04 H new ATOM 0 HA LYS A 104 8.969 -3.670 33.490 1.00 72.32 H new ATOM 0 HB2 LYS A 104 9.539 -6.652 33.649 1.00 43.24 H new ATOM 0 HB3 LYS A 104 10.456 -5.358 34.395 1.00 43.24 H new ATOM 0 HG2 LYS A 104 7.564 -5.964 35.096 1.00 42.45 H new ATOM 0 HG3 LYS A 104 8.928 -6.666 35.944 1.00 42.45 H new ATOM 0 HD2 LYS A 104 8.697 -3.664 35.605 1.00 73.41 H new ATOM 0 HD3 LYS A 104 7.836 -4.487 36.890 1.00 73.41 H new ATOM 0 HE2 LYS A 104 10.172 -5.576 37.425 1.00 2.52 H new ATOM 0 HE3 LYS A 104 10.821 -4.262 36.464 1.00 2.52 H new ATOM 0 HZ1 LYS A 104 10.749 -3.685 38.802 1.00 13.52 H new ATOM 0 HZ2 LYS A 104 9.702 -2.677 37.923 1.00 13.52 H new ATOM 0 HZ3 LYS A 104 9.073 -3.950 38.855 1.00 13.52 H new ATOM 1701 N LYS A 105 9.363 -5.741 30.963 1.00 34.33 N ATOM 1702 CA LYS A 105 10.051 -5.924 29.691 1.00 31.20 C ATOM 1703 C LYS A 105 9.801 -4.741 28.762 1.00 55.41 C ATOM 1704 O LYS A 105 10.685 -4.333 28.007 1.00 15.23 O ATOM 1705 CB LYS A 105 9.589 -7.220 29.020 1.00 44.33 C ATOM 1706 CG LYS A 105 9.747 -8.449 29.897 1.00 20.24 C ATOM 1707 CD LYS A 105 11.210 -8.802 30.106 1.00 43.41 C ATOM 1708 CE LYS A 105 11.366 -10.141 30.809 1.00 23.14 C ATOM 1709 NZ LYS A 105 10.901 -11.272 29.959 1.00 15.44 N ATOM 0 H LYS A 105 8.626 -6.422 31.145 1.00 34.33 H new ATOM 0 HA LYS A 105 11.121 -5.986 29.891 1.00 31.20 H new ATOM 0 HB2 LYS A 105 8.541 -7.119 28.736 1.00 44.33 H new ATOM 0 HB3 LYS A 105 10.156 -7.365 28.100 1.00 44.33 H new ATOM 0 HG2 LYS A 105 9.273 -8.271 30.863 1.00 20.24 H new ATOM 0 HG3 LYS A 105 9.230 -9.292 29.439 1.00 20.24 H new ATOM 0 HD2 LYS A 105 11.719 -8.834 29.142 1.00 43.41 H new ATOM 0 HD3 LYS A 105 11.693 -8.022 30.695 1.00 43.41 H new ATOM 0 HE2 LYS A 105 12.412 -10.292 31.074 1.00 23.14 H new ATOM 0 HE3 LYS A 105 10.800 -10.130 31.740 1.00 23.14 H new ATOM 0 HZ1 LYS A 105 11.278 -12.166 30.334 1.00 15.44 H new ATOM 0 HZ2 LYS A 105 9.862 -11.305 29.964 1.00 15.44 H new ATOM 0 HZ3 LYS A 105 11.239 -11.136 28.985 1.00 15.44 H new ATOM 1723 N LEU A 106 8.592 -4.192 28.823 1.00 61.25 N ATOM 1724 CA LEU A 106 8.226 -3.054 27.987 1.00 11.53 C ATOM 1725 C LEU A 106 8.757 -1.752 28.579 1.00 51.55 C ATOM 1726 O LEU A 106 9.293 -0.906 27.862 1.00 14.12 O ATOM 1727 CB LEU A 106 6.706 -2.975 27.835 1.00 32.43 C ATOM 1728 CG LEU A 106 6.141 -1.614 27.426 1.00 23.53 C ATOM 1729 CD1 LEU A 106 6.749 -1.158 26.109 1.00 25.22 C ATOM 1730 CD2 LEU A 106 4.624 -1.676 27.323 1.00 43.34 C ATOM 0 H LEU A 106 7.849 -4.517 29.442 1.00 61.25 H new ATOM 0 HA LEU A 106 8.676 -3.196 27.005 1.00 11.53 H new ATOM 0 HB2 LEU A 106 6.397 -3.712 27.094 1.00 32.43 H new ATOM 0 HB3 LEU A 106 6.251 -3.265 28.782 1.00 32.43 H new ATOM 0 HG LEU A 106 6.403 -0.887 28.194 1.00 23.53 H new ATOM 0 HD11 LEU A 106 6.335 -0.188 25.834 1.00 25.22 H new ATOM 0 HD12 LEU A 106 7.830 -1.074 26.217 1.00 25.22 H new ATOM 0 HD13 LEU A 106 6.518 -1.885 25.330 1.00 25.22 H new ATOM 0 HD21 LEU A 106 4.239 -0.699 27.031 1.00 43.34 H new ATOM 0 HD22 LEU A 106 4.340 -2.416 26.575 1.00 43.34 H new ATOM 0 HD23 LEU A 106 4.205 -1.957 28.289 1.00 43.34 H new ATOM 1742 N SER A 107 8.606 -1.598 29.890 1.00 23.43 N ATOM 1743 CA SER A 107 9.069 -0.399 30.578 1.00 41.20 C ATOM 1744 C SER A 107 10.533 -0.117 30.253 1.00 51.11 C ATOM 1745 O SER A 107 10.934 1.036 30.092 1.00 15.14 O ATOM 1746 CB SER A 107 8.891 -0.551 32.090 1.00 71.12 C ATOM 1747 OG SER A 107 9.421 0.567 32.781 1.00 22.50 O ATOM 0 H SER A 107 8.166 -2.289 30.498 1.00 23.43 H new ATOM 0 HA SER A 107 8.469 0.443 30.232 1.00 41.20 H new ATOM 0 HB2 SER A 107 7.832 -0.660 32.326 1.00 71.12 H new ATOM 0 HB3 SER A 107 9.388 -1.460 32.428 1.00 71.12 H new ATOM 0 HG SER A 107 9.293 0.446 33.745 1.00 22.50 H new ATOM 1753 N ARG A 108 11.326 -1.179 30.157 1.00 3.34 N ATOM 1754 CA ARG A 108 12.746 -1.047 29.853 1.00 50.22 C ATOM 1755 C ARG A 108 12.958 -0.724 28.377 1.00 54.04 C ATOM 1756 O ARG A 108 13.957 -0.111 28.001 1.00 12.53 O ATOM 1757 CB ARG A 108 13.489 -2.334 30.216 1.00 1.41 C ATOM 1758 CG ARG A 108 13.076 -3.533 29.379 1.00 55.22 C ATOM 1759 CD ARG A 108 14.096 -4.656 29.472 1.00 65.00 C ATOM 1760 NE ARG A 108 13.854 -5.700 28.480 1.00 34.12 N ATOM 1761 CZ ARG A 108 14.565 -6.819 28.402 1.00 34.42 C ATOM 1762 NH1 ARG A 108 15.557 -7.039 29.253 1.00 4.32 N ATOM 1763 NH2 ARG A 108 14.283 -7.722 27.472 1.00 72.53 N ATOM 0 H ARG A 108 11.010 -2.140 30.285 1.00 3.34 H new ATOM 0 HA ARG A 108 13.144 -0.225 30.448 1.00 50.22 H new ATOM 0 HB2 ARG A 108 14.560 -2.171 30.098 1.00 1.41 H new ATOM 0 HB3 ARG A 108 13.315 -2.559 31.268 1.00 1.41 H new ATOM 0 HG2 ARG A 108 12.104 -3.894 29.714 1.00 55.22 H new ATOM 0 HG3 ARG A 108 12.962 -3.229 28.338 1.00 55.22 H new ATOM 0 HD2 ARG A 108 15.097 -4.248 29.332 1.00 65.00 H new ATOM 0 HD3 ARG A 108 14.066 -5.091 30.471 1.00 65.00 H new ATOM 0 HE ARG A 108 13.097 -5.562 27.810 1.00 34.12 H new ATOM 0 HH11 ARG A 108 15.776 -6.348 29.970 1.00 4.32 H new ATOM 0 HH12 ARG A 108 16.101 -7.899 29.190 1.00 4.32 H new ATOM 0 HH21 ARG A 108 13.520 -7.557 26.816 1.00 72.53 H new ATOM 0 HH22 ARG A 108 14.830 -8.581 27.413 1.00 72.53 H new ATOM 1777 N VAL A 109 12.010 -1.142 27.543 1.00 63.11 N ATOM 1778 CA VAL A 109 12.092 -0.897 26.108 1.00 62.30 C ATOM 1779 C VAL A 109 11.777 0.558 25.780 1.00 71.32 C ATOM 1780 O VAL A 109 12.359 1.139 24.864 1.00 74.04 O ATOM 1781 CB VAL A 109 11.127 -1.809 25.327 1.00 22.11 C ATOM 1782 CG1 VAL A 109 11.084 -1.409 23.860 1.00 33.02 C ATOM 1783 CG2 VAL A 109 11.533 -3.267 25.479 1.00 73.43 C ATOM 0 H VAL A 109 11.177 -1.652 27.837 1.00 63.11 H new ATOM 0 HA VAL A 109 13.115 -1.121 25.807 1.00 62.30 H new ATOM 0 HB VAL A 109 10.126 -1.689 25.741 1.00 22.11 H new ATOM 0 HG11 VAL A 109 10.397 -2.064 23.324 1.00 33.02 H new ATOM 0 HG12 VAL A 109 10.743 -0.377 23.774 1.00 33.02 H new ATOM 0 HG13 VAL A 109 12.081 -1.498 23.429 1.00 33.02 H new ATOM 0 HG21 VAL A 109 10.841 -3.898 24.921 1.00 73.43 H new ATOM 0 HG22 VAL A 109 12.543 -3.406 25.092 1.00 73.43 H new ATOM 0 HG23 VAL A 109 11.507 -3.544 26.533 1.00 73.43 H new ATOM 1793 N VAL A 110 10.852 1.142 26.535 1.00 74.24 N ATOM 1794 CA VAL A 110 10.459 2.530 26.325 1.00 3.45 C ATOM 1795 C VAL A 110 11.616 3.479 26.621 1.00 72.31 C ATOM 1796 O VAL A 110 11.768 4.511 25.969 1.00 74.32 O ATOM 1797 CB VAL A 110 9.257 2.913 27.209 1.00 3.23 C ATOM 1798 CG1 VAL A 110 8.856 4.360 26.968 1.00 4.51 C ATOM 1799 CG2 VAL A 110 8.087 1.977 26.951 1.00 73.24 C ATOM 0 H VAL A 110 10.361 0.675 27.298 1.00 74.24 H new ATOM 0 HA VAL A 110 10.174 2.624 25.277 1.00 3.45 H new ATOM 0 HB VAL A 110 9.550 2.812 28.254 1.00 3.23 H new ATOM 0 HG11 VAL A 110 8.005 4.612 27.601 1.00 4.51 H new ATOM 0 HG12 VAL A 110 9.694 5.015 27.208 1.00 4.51 H new ATOM 0 HG13 VAL A 110 8.581 4.492 25.922 1.00 4.51 H new ATOM 0 HG21 VAL A 110 7.247 2.262 27.584 1.00 73.24 H new ATOM 0 HG22 VAL A 110 7.792 2.044 25.904 1.00 73.24 H new ATOM 0 HG23 VAL A 110 8.383 0.953 27.180 1.00 73.24 H new ATOM 1809 N ASN A 111 12.430 3.121 27.609 1.00 72.33 N ATOM 1810 CA ASN A 111 13.574 3.940 27.991 1.00 11.23 C ATOM 1811 C ASN A 111 14.615 3.975 26.877 1.00 40.14 C ATOM 1812 O ASN A 111 15.210 5.018 26.602 1.00 73.35 O ATOM 1813 CB ASN A 111 14.205 3.403 29.277 1.00 2.13 C ATOM 1814 CG ASN A 111 13.595 4.018 30.522 1.00 53.32 C ATOM 1815 OD1 ASN A 111 14.085 5.025 31.035 1.00 74.45 O ATOM 1816 ND2 ASN A 111 12.519 3.414 31.014 1.00 43.13 N ATOM 0 H ASN A 111 12.318 2.269 28.159 1.00 72.33 H new ATOM 0 HA ASN A 111 13.220 4.956 28.164 1.00 11.23 H new ATOM 0 HB2 ASN A 111 14.084 2.320 29.313 1.00 2.13 H new ATOM 0 HB3 ASN A 111 15.276 3.603 29.264 1.00 2.13 H new ATOM 0 HD21 ASN A 111 12.065 3.782 31.850 1.00 43.13 H new ATOM 0 HD22 ASN A 111 12.147 2.582 30.556 1.00 43.13 H new ATOM 1823 N ILE A 112 14.829 2.829 26.239 1.00 43.54 N ATOM 1824 CA ILE A 112 15.797 2.730 25.153 1.00 32.40 C ATOM 1825 C ILE A 112 15.563 3.814 24.107 1.00 42.12 C ATOM 1826 O ILE A 112 16.509 4.432 23.616 1.00 55.43 O ATOM 1827 CB ILE A 112 15.736 1.351 24.469 1.00 35.14 C ATOM 1828 CG1 ILE A 112 16.027 0.242 25.482 1.00 31.32 C ATOM 1829 CG2 ILE A 112 16.720 1.290 23.311 1.00 71.10 C ATOM 1830 CD1 ILE A 112 15.582 -1.129 25.022 1.00 45.01 C ATOM 0 H ILE A 112 14.346 1.957 26.455 1.00 43.54 H new ATOM 0 HA ILE A 112 16.784 2.864 25.597 1.00 32.40 H new ATOM 0 HB ILE A 112 14.731 1.202 24.074 1.00 35.14 H new ATOM 0 HG12 ILE A 112 17.098 0.218 25.685 1.00 31.32 H new ATOM 0 HG13 ILE A 112 15.529 0.480 26.422 1.00 31.32 H new ATOM 0 HG21 ILE A 112 16.665 0.310 22.838 1.00 71.10 H new ATOM 0 HG22 ILE A 112 16.471 2.060 22.581 1.00 71.10 H new ATOM 0 HG23 ILE A 112 17.731 1.457 23.683 1.00 71.10 H new ATOM 0 HD11 ILE A 112 15.820 -1.865 25.790 1.00 45.01 H new ATOM 0 HD12 ILE A 112 14.506 -1.122 24.846 1.00 45.01 H new ATOM 0 HD13 ILE A 112 16.099 -1.388 24.098 1.00 45.01 H new ATOM 1842 N LEU A 113 14.298 4.042 23.771 1.00 22.31 N ATOM 1843 CA LEU A 113 13.939 5.054 22.784 1.00 32.10 C ATOM 1844 C LEU A 113 14.555 6.403 23.139 1.00 41.34 C ATOM 1845 O LEU A 113 14.970 7.159 22.260 1.00 53.23 O ATOM 1846 CB LEU A 113 12.418 5.184 22.689 1.00 54.31 C ATOM 1847 CG LEU A 113 11.665 3.939 22.218 1.00 3.13 C ATOM 1848 CD1 LEU A 113 10.245 3.936 22.762 1.00 40.21 C ATOM 1849 CD2 LEU A 113 11.657 3.864 20.698 1.00 32.35 C ATOM 0 H LEU A 113 13.504 3.540 24.168 1.00 22.31 H new ATOM 0 HA LEU A 113 14.332 4.739 21.817 1.00 32.10 H new ATOM 0 HB2 LEU A 113 12.036 5.466 23.670 1.00 54.31 H new ATOM 0 HB3 LEU A 113 12.185 6.004 22.009 1.00 54.31 H new ATOM 0 HG LEU A 113 12.180 3.059 22.602 1.00 3.13 H new ATOM 0 HD11 LEU A 113 9.725 3.043 22.416 1.00 40.21 H new ATOM 0 HD12 LEU A 113 10.273 3.941 23.852 1.00 40.21 H new ATOM 0 HD13 LEU A 113 9.718 4.822 22.409 1.00 40.21 H new ATOM 0 HD21 LEU A 113 11.117 2.972 20.381 1.00 32.35 H new ATOM 0 HD22 LEU A 113 11.166 4.749 20.293 1.00 32.35 H new ATOM 0 HD23 LEU A 113 12.682 3.817 20.331 1.00 32.35 H new ATOM 1861 N LYS A 114 14.614 6.699 24.433 1.00 42.24 N ATOM 1862 CA LYS A 114 15.183 7.956 24.906 1.00 61.45 C ATOM 1863 C LYS A 114 16.683 8.011 24.632 1.00 33.23 C ATOM 1864 O LYS A 114 17.233 9.076 24.356 1.00 1.24 O ATOM 1865 CB LYS A 114 14.920 8.127 26.403 1.00 22.54 C ATOM 1866 CG LYS A 114 13.452 8.027 26.779 1.00 72.55 C ATOM 1867 CD LYS A 114 12.864 9.391 27.099 1.00 30.41 C ATOM 1868 CE LYS A 114 13.410 9.939 28.408 1.00 1.05 C ATOM 1869 NZ LYS A 114 12.810 9.257 29.589 1.00 41.43 N ATOM 0 H LYS A 114 14.275 6.085 25.174 1.00 42.24 H new ATOM 0 HA LYS A 114 14.703 8.771 24.364 1.00 61.45 H new ATOM 0 HB2 LYS A 114 15.479 7.368 26.950 1.00 22.54 H new ATOM 0 HB3 LYS A 114 15.303 9.096 26.722 1.00 22.54 H new ATOM 0 HG2 LYS A 114 12.896 7.573 25.959 1.00 72.55 H new ATOM 0 HG3 LYS A 114 13.340 7.370 27.642 1.00 72.55 H new ATOM 0 HD2 LYS A 114 13.091 10.085 26.290 1.00 30.41 H new ATOM 0 HD3 LYS A 114 11.778 9.315 27.159 1.00 30.41 H new ATOM 0 HE2 LYS A 114 14.493 9.816 28.429 1.00 1.05 H new ATOM 0 HE3 LYS A 114 13.209 11.009 28.466 1.00 1.05 H new ATOM 0 HZ1 LYS A 114 13.143 9.715 30.461 1.00 41.43 H new ATOM 0 HZ2 LYS A 114 11.773 9.323 29.538 1.00 41.43 H new ATOM 0 HZ3 LYS A 114 13.094 8.256 29.593 1.00 41.43 H new ATOM 1883 N GLU A 115 17.337 6.856 24.710 1.00 52.11 N ATOM 1884 CA GLU A 115 18.773 6.775 24.470 1.00 72.30 C ATOM 1885 C GLU A 115 19.079 6.834 22.976 1.00 21.32 C ATOM 1886 O GLU A 115 19.900 7.636 22.531 1.00 11.23 O ATOM 1887 CB GLU A 115 19.340 5.485 25.067 1.00 10.35 C ATOM 1888 CG GLU A 115 20.671 5.069 24.464 1.00 0.14 C ATOM 1889 CD GLU A 115 21.736 6.140 24.605 1.00 34.21 C ATOM 1890 OE1 GLU A 115 21.558 7.045 25.447 1.00 11.00 O ATOM 1891 OE2 GLU A 115 22.745 6.073 23.874 1.00 64.12 O ATOM 0 H GLU A 115 16.896 5.965 24.937 1.00 52.11 H new ATOM 0 HA GLU A 115 19.245 7.630 24.954 1.00 72.30 H new ATOM 0 HB2 GLU A 115 19.463 5.615 26.142 1.00 10.35 H new ATOM 0 HB3 GLU A 115 18.619 4.681 24.924 1.00 10.35 H new ATOM 0 HG2 GLU A 115 21.015 4.154 24.947 1.00 0.14 H new ATOM 0 HG3 GLU A 115 20.531 4.838 23.408 1.00 0.14 H new ATOM 1898 N ARG A 116 18.414 5.978 22.208 1.00 74.25 N ATOM 1899 CA ARG A 116 18.615 5.931 20.764 1.00 24.34 C ATOM 1900 C ARG A 116 18.028 7.168 20.093 1.00 52.34 C ATOM 1901 O ARG A 116 18.289 7.433 18.920 1.00 72.01 O ATOM 1902 CB ARG A 116 17.978 4.669 20.180 1.00 70.12 C ATOM 1903 CG ARG A 116 18.300 3.406 20.961 1.00 24.41 C ATOM 1904 CD ARG A 116 19.801 3.194 21.083 1.00 64.11 C ATOM 1905 NE ARG A 116 20.124 1.955 21.787 1.00 41.54 N ATOM 1906 CZ ARG A 116 20.038 0.751 21.232 1.00 1.43 C ATOM 1907 NH1 ARG A 116 19.642 0.624 19.973 1.00 2.33 N ATOM 1908 NH2 ARG A 116 20.349 -0.329 21.937 1.00 2.35 N ATOM 0 H ARG A 116 17.731 5.307 22.561 1.00 74.25 H new ATOM 0 HA ARG A 116 19.688 5.910 20.572 1.00 24.34 H new ATOM 0 HB2 ARG A 116 16.896 4.800 20.148 1.00 70.12 H new ATOM 0 HB3 ARG A 116 18.315 4.545 19.151 1.00 70.12 H new ATOM 0 HG2 ARG A 116 17.858 3.469 21.956 1.00 24.41 H new ATOM 0 HG3 ARG A 116 17.849 2.546 20.466 1.00 24.41 H new ATOM 0 HD2 ARG A 116 20.246 3.172 20.088 1.00 64.11 H new ATOM 0 HD3 ARG A 116 20.244 4.038 21.612 1.00 64.11 H new ATOM 0 HE ARG A 116 20.432 2.018 22.757 1.00 41.54 H new ATOM 0 HH11 ARG A 116 19.402 1.452 19.428 1.00 2.33 H new ATOM 0 HH12 ARG A 116 19.577 -0.302 19.550 1.00 2.33 H new ATOM 0 HH21 ARG A 116 20.654 -0.235 22.906 1.00 2.35 H new ATOM 0 HH22 ARG A 116 20.283 -1.253 21.510 1.00 2.35 H new ATOM 1922 N ASN A 117 17.233 7.922 20.845 1.00 54.33 N ATOM 1923 CA ASN A 117 16.607 9.131 20.322 1.00 51.52 C ATOM 1924 C ASN A 117 15.768 8.819 19.087 1.00 55.03 C ATOM 1925 O ASN A 117 15.812 9.546 18.094 1.00 53.02 O ATOM 1926 CB ASN A 117 17.672 10.174 19.978 1.00 44.23 C ATOM 1927 CG ASN A 117 17.111 11.582 19.933 1.00 14.03 C ATOM 1928 OD1 ASN A 117 15.937 11.804 20.231 1.00 73.50 O ATOM 1929 ND2 ASN A 117 17.949 12.542 19.560 1.00 72.10 N ATOM 0 H ASN A 117 17.007 7.717 21.818 1.00 54.33 H new ATOM 0 HA ASN A 117 15.950 9.533 21.094 1.00 51.52 H new ATOM 0 HB2 ASN A 117 18.473 10.129 20.716 1.00 44.23 H new ATOM 0 HB3 ASN A 117 18.115 9.932 19.012 1.00 44.23 H new ATOM 0 HD21 ASN A 117 17.628 13.509 19.512 1.00 72.10 H new ATOM 0 HD22 ASN A 117 18.914 12.313 19.322 1.00 72.10 H new ATOM 1936 N ILE A 118 15.004 7.734 19.156 1.00 13.02 N ATOM 1937 CA ILE A 118 14.153 7.327 18.045 1.00 62.32 C ATOM 1938 C ILE A 118 13.115 8.397 17.726 1.00 11.11 C ATOM 1939 O ILE A 118 13.197 9.070 16.698 1.00 14.13 O ATOM 1940 CB ILE A 118 13.431 6.000 18.346 1.00 52.25 C ATOM 1941 CG1 ILE A 118 14.443 4.920 18.733 1.00 75.31 C ATOM 1942 CG2 ILE A 118 12.611 5.559 17.142 1.00 20.12 C ATOM 1943 CD1 ILE A 118 15.342 4.497 17.592 1.00 13.03 C ATOM 0 H ILE A 118 14.957 7.121 19.970 1.00 13.02 H new ATOM 0 HA ILE A 118 14.805 7.189 17.182 1.00 62.32 H new ATOM 0 HB ILE A 118 12.754 6.154 19.186 1.00 52.25 H new ATOM 0 HG12 ILE A 118 15.059 5.288 19.553 1.00 75.31 H new ATOM 0 HG13 ILE A 118 13.906 4.047 19.105 1.00 75.31 H new ATOM 0 HG21 ILE A 118 12.107 4.620 17.370 1.00 20.12 H new ATOM 0 HG22 ILE A 118 11.869 6.322 16.908 1.00 20.12 H new ATOM 0 HG23 ILE A 118 13.270 5.419 16.285 1.00 20.12 H new ATOM 0 HD11 ILE A 118 16.034 3.729 17.939 1.00 13.03 H new ATOM 0 HD12 ILE A 118 14.735 4.098 16.779 1.00 13.03 H new ATOM 0 HD13 ILE A 118 15.906 5.359 17.235 1.00 13.03 H new ATOM 1955 N PHE A 119 12.139 8.551 18.615 1.00 23.43 N ATOM 1956 CA PHE A 119 11.085 9.540 18.430 1.00 55.34 C ATOM 1957 C PHE A 119 11.494 10.888 19.017 1.00 34.11 C ATOM 1958 O PHE A 119 12.445 10.976 19.793 1.00 62.20 O ATOM 1959 CB PHE A 119 9.786 9.061 19.081 1.00 74.34 C ATOM 1960 CG PHE A 119 9.488 7.610 18.828 1.00 43.34 C ATOM 1961 CD1 PHE A 119 9.406 7.122 17.534 1.00 64.24 C ATOM 1962 CD2 PHE A 119 9.291 6.735 19.884 1.00 42.33 C ATOM 1963 CE1 PHE A 119 9.132 5.788 17.298 1.00 22.21 C ATOM 1964 CE2 PHE A 119 9.017 5.400 19.654 1.00 1.14 C ATOM 1965 CZ PHE A 119 8.939 4.926 18.360 1.00 75.32 C ATOM 0 H PHE A 119 12.057 8.003 19.471 1.00 23.43 H new ATOM 0 HA PHE A 119 10.922 9.664 17.359 1.00 55.34 H new ATOM 0 HB2 PHE A 119 9.844 9.230 20.156 1.00 74.34 H new ATOM 0 HB3 PHE A 119 8.958 9.664 18.708 1.00 74.34 H new ATOM 0 HD1 PHE A 119 9.558 7.791 16.700 1.00 64.24 H new ATOM 0 HD2 PHE A 119 9.352 7.100 20.898 1.00 42.33 H new ATOM 0 HE1 PHE A 119 9.069 5.420 16.285 1.00 22.21 H new ATOM 0 HE2 PHE A 119 8.864 4.728 20.486 1.00 1.14 H new ATOM 0 HZ PHE A 119 8.727 3.883 18.178 1.00 75.32 H new ATOM 1975 N SER A 120 10.768 11.936 18.641 1.00 73.33 N ATOM 1976 CA SER A 120 11.057 13.280 19.126 1.00 52.10 C ATOM 1977 C SER A 120 10.369 13.534 20.464 1.00 51.32 C ATOM 1978 O SER A 120 9.656 12.675 20.982 1.00 33.02 O ATOM 1979 CB SER A 120 10.606 14.323 18.101 1.00 31.05 C ATOM 1980 OG SER A 120 9.225 14.609 18.239 1.00 72.01 O ATOM 0 H SER A 120 9.975 11.880 18.002 1.00 73.33 H new ATOM 0 HA SER A 120 12.134 13.364 19.269 1.00 52.10 H new ATOM 0 HB2 SER A 120 11.185 15.238 18.229 1.00 31.05 H new ATOM 0 HB3 SER A 120 10.806 13.958 17.094 1.00 31.05 H new ATOM 0 HG SER A 120 8.962 15.279 17.574 1.00 72.01 H new ATOM 1986 N LYS A 121 10.588 14.722 21.018 1.00 24.45 N ATOM 1987 CA LYS A 121 9.990 15.092 22.295 1.00 1.44 C ATOM 1988 C LYS A 121 8.467 15.092 22.203 1.00 5.33 C ATOM 1989 O LYS A 121 7.784 14.586 23.093 1.00 54.54 O ATOM 1990 CB LYS A 121 10.485 16.473 22.732 1.00 1.11 C ATOM 1991 CG LYS A 121 10.321 16.736 24.219 1.00 33.10 C ATOM 1992 CD LYS A 121 11.469 16.146 25.020 1.00 63.01 C ATOM 1993 CE LYS A 121 12.701 17.037 24.967 1.00 61.43 C ATOM 1994 NZ LYS A 121 13.809 16.501 25.805 1.00 2.54 N ATOM 0 H LYS A 121 11.175 15.445 20.602 1.00 24.45 H new ATOM 0 HA LYS A 121 10.292 14.353 23.037 1.00 1.44 H new ATOM 0 HB2 LYS A 121 11.538 16.572 22.468 1.00 1.11 H new ATOM 0 HB3 LYS A 121 9.943 17.237 22.175 1.00 1.11 H new ATOM 0 HG2 LYS A 121 10.267 17.810 24.396 1.00 33.10 H new ATOM 0 HG3 LYS A 121 9.379 16.309 24.563 1.00 33.10 H new ATOM 0 HD2 LYS A 121 11.160 16.012 26.057 1.00 63.01 H new ATOM 0 HD3 LYS A 121 11.716 15.158 24.631 1.00 63.01 H new ATOM 0 HE2 LYS A 121 13.038 17.129 23.935 1.00 61.43 H new ATOM 0 HE3 LYS A 121 12.440 18.039 25.308 1.00 61.43 H new ATOM 0 HZ1 LYS A 121 14.630 17.136 25.742 1.00 2.54 H new ATOM 0 HZ2 LYS A 121 13.496 16.437 26.795 1.00 2.54 H new ATOM 0 HZ3 LYS A 121 14.076 15.555 25.464 1.00 2.54 H new ATOM 2008 N GLN A 122 7.945 15.661 21.122 1.00 55.21 N ATOM 2009 CA GLN A 122 6.503 15.725 20.915 1.00 53.24 C ATOM 2010 C GLN A 122 5.890 14.329 20.917 1.00 32.33 C ATOM 2011 O GLN A 122 4.787 14.124 21.426 1.00 45.11 O ATOM 2012 CB GLN A 122 6.187 16.431 19.595 1.00 53.21 C ATOM 2013 CG GLN A 122 4.859 17.171 19.603 1.00 34.32 C ATOM 2014 CD GLN A 122 4.579 17.884 18.295 1.00 64.32 C ATOM 2015 OE1 GLN A 122 5.069 17.482 17.239 1.00 71.12 O ATOM 2016 NE2 GLN A 122 3.788 18.948 18.358 1.00 44.54 N ATOM 0 H GLN A 122 8.498 16.084 20.377 1.00 55.21 H new ATOM 0 HA GLN A 122 6.069 16.294 21.737 1.00 53.24 H new ATOM 0 HB2 GLN A 122 6.986 17.138 19.370 1.00 53.21 H new ATOM 0 HB3 GLN A 122 6.178 15.694 18.792 1.00 53.21 H new ATOM 0 HG2 GLN A 122 4.055 16.464 19.806 1.00 34.32 H new ATOM 0 HG3 GLN A 122 4.857 17.897 20.416 1.00 34.32 H new ATOM 0 HE21 GLN A 122 3.404 19.246 19.255 1.00 44.54 H new ATOM 0 HE22 GLN A 122 3.564 19.468 17.510 1.00 44.54 H new ATOM 2025 N VAL A 123 6.611 13.370 20.345 1.00 23.12 N ATOM 2026 CA VAL A 123 6.139 11.992 20.282 1.00 10.02 C ATOM 2027 C VAL A 123 6.232 11.316 21.646 1.00 41.34 C ATOM 2028 O VAL A 123 5.293 10.655 22.088 1.00 31.23 O ATOM 2029 CB VAL A 123 6.943 11.169 19.258 1.00 52.42 C ATOM 2030 CG1 VAL A 123 6.327 9.790 19.080 1.00 64.15 C ATOM 2031 CG2 VAL A 123 7.020 11.904 17.928 1.00 75.12 C ATOM 0 H VAL A 123 7.525 13.522 19.918 1.00 23.12 H new ATOM 0 HA VAL A 123 5.096 12.029 19.968 1.00 10.02 H new ATOM 0 HB VAL A 123 7.957 11.041 19.636 1.00 52.42 H new ATOM 0 HG11 VAL A 123 6.908 9.223 18.353 1.00 64.15 H new ATOM 0 HG12 VAL A 123 6.329 9.265 20.035 1.00 64.15 H new ATOM 0 HG13 VAL A 123 5.302 9.893 18.724 1.00 64.15 H new ATOM 0 HG21 VAL A 123 7.591 11.309 17.216 1.00 75.12 H new ATOM 0 HG22 VAL A 123 6.013 12.064 17.542 1.00 75.12 H new ATOM 0 HG23 VAL A 123 7.510 12.867 18.072 1.00 75.12 H new ATOM 2041 N VAL A 124 7.372 11.487 22.308 1.00 13.43 N ATOM 2042 CA VAL A 124 7.588 10.896 23.623 1.00 31.51 C ATOM 2043 C VAL A 124 6.496 11.315 24.601 1.00 42.31 C ATOM 2044 O VAL A 124 5.949 10.488 25.328 1.00 31.24 O ATOM 2045 CB VAL A 124 8.959 11.294 24.200 1.00 43.44 C ATOM 2046 CG1 VAL A 124 9.148 10.702 25.588 1.00 61.34 C ATOM 2047 CG2 VAL A 124 10.077 10.855 23.266 1.00 24.34 C ATOM 0 H VAL A 124 8.160 12.030 21.955 1.00 13.43 H new ATOM 0 HA VAL A 124 7.558 9.814 23.491 1.00 31.51 H new ATOM 0 HB VAL A 124 8.995 12.380 24.288 1.00 43.44 H new ATOM 0 HG11 VAL A 124 10.123 10.995 25.979 1.00 61.34 H new ATOM 0 HG12 VAL A 124 8.366 11.072 26.251 1.00 61.34 H new ATOM 0 HG13 VAL A 124 9.091 9.615 25.531 1.00 61.34 H new ATOM 0 HG21 VAL A 124 11.039 11.144 23.689 1.00 24.34 H new ATOM 0 HG22 VAL A 124 10.045 9.772 23.144 1.00 24.34 H new ATOM 0 HG23 VAL A 124 9.949 11.334 22.295 1.00 24.34 H new ATOM 2057 N ASN A 125 6.184 12.607 24.612 1.00 41.20 N ATOM 2058 CA ASN A 125 5.157 13.138 25.501 1.00 31.30 C ATOM 2059 C ASN A 125 3.810 12.473 25.234 1.00 20.20 C ATOM 2060 O ASN A 125 2.960 12.391 26.121 1.00 71.12 O ATOM 2061 CB ASN A 125 5.034 14.653 25.326 1.00 62.33 C ATOM 2062 CG ASN A 125 5.957 15.419 26.254 1.00 33.21 C ATOM 2063 OD1 ASN A 125 5.556 15.834 27.342 1.00 61.32 O ATOM 2064 ND2 ASN A 125 7.200 15.610 25.827 1.00 15.13 N ATOM 0 H ASN A 125 6.628 13.305 24.015 1.00 41.20 H new ATOM 0 HA ASN A 125 5.453 12.921 26.527 1.00 31.30 H new ATOM 0 HB2 ASN A 125 5.262 14.916 24.293 1.00 62.33 H new ATOM 0 HB3 ASN A 125 4.003 14.955 25.512 1.00 62.33 H new ATOM 0 HD21 ASN A 125 7.866 16.119 26.408 1.00 15.13 H new ATOM 0 HD22 ASN A 125 7.488 15.248 24.918 1.00 15.13 H new ATOM 2071 N ASP A 126 3.623 11.999 24.007 1.00 3.20 N ATOM 2072 CA ASP A 126 2.381 11.340 23.623 1.00 73.41 C ATOM 2073 C ASP A 126 2.309 9.932 24.207 1.00 3.43 C ATOM 2074 O ASP A 126 1.227 9.433 24.517 1.00 23.32 O ATOM 2075 CB ASP A 126 2.260 11.279 22.099 1.00 2.33 C ATOM 2076 CG ASP A 126 0.818 11.227 21.634 1.00 3.32 C ATOM 2077 OD1 ASP A 126 0.123 10.245 21.967 1.00 61.10 O ATOM 2078 OD2 ASP A 126 0.385 12.168 20.937 1.00 41.54 O ATOM 0 H ASP A 126 4.316 12.059 23.261 1.00 3.20 H new ATOM 0 HA ASP A 126 1.552 11.923 24.023 1.00 73.41 H new ATOM 0 HB2 ASP A 126 2.748 12.151 21.664 1.00 2.33 H new ATOM 0 HB3 ASP A 126 2.789 10.400 21.730 1.00 2.33 H new ATOM 2083 N ILE A 127 3.468 9.299 24.354 1.00 31.30 N ATOM 2084 CA ILE A 127 3.536 7.949 24.901 1.00 1.31 C ATOM 2085 C ILE A 127 3.304 7.955 26.408 1.00 34.31 C ATOM 2086 O ILE A 127 2.573 7.117 26.936 1.00 65.41 O ATOM 2087 CB ILE A 127 4.896 7.290 24.605 1.00 1.01 C ATOM 2088 CG1 ILE A 127 5.233 7.410 23.117 1.00 13.04 C ATOM 2089 CG2 ILE A 127 4.882 5.831 25.034 1.00 32.54 C ATOM 2090 CD1 ILE A 127 6.629 6.941 22.774 1.00 3.31 C ATOM 0 H ILE A 127 4.372 9.699 24.102 1.00 31.30 H new ATOM 0 HA ILE A 127 2.749 7.372 24.417 1.00 1.31 H new ATOM 0 HB ILE A 127 5.666 7.809 25.176 1.00 1.01 H new ATOM 0 HG12 ILE A 127 4.512 6.830 22.542 1.00 13.04 H new ATOM 0 HG13 ILE A 127 5.122 8.450 22.810 1.00 13.04 H new ATOM 0 HG21 ILE A 127 5.850 5.379 24.818 1.00 32.54 H new ATOM 0 HG22 ILE A 127 4.682 5.768 26.104 1.00 32.54 H new ATOM 0 HG23 ILE A 127 4.103 5.299 24.488 1.00 32.54 H new ATOM 0 HD11 ILE A 127 6.798 7.055 21.703 1.00 3.31 H new ATOM 0 HD12 ILE A 127 7.358 7.538 23.322 1.00 3.31 H new ATOM 0 HD13 ILE A 127 6.738 5.892 23.049 1.00 3.31 H new ATOM 2102 N GLU A 128 3.929 8.906 27.094 1.00 14.45 N ATOM 2103 CA GLU A 128 3.788 9.021 28.541 1.00 4.14 C ATOM 2104 C GLU A 128 2.328 9.226 28.932 1.00 75.01 C ATOM 2105 O GLU A 128 1.793 8.506 29.775 1.00 35.10 O ATOM 2106 CB GLU A 128 4.636 10.181 29.068 1.00 50.11 C ATOM 2107 CG GLU A 128 6.125 10.008 28.821 1.00 22.45 C ATOM 2108 CD GLU A 128 6.973 10.841 29.763 1.00 42.14 C ATOM 2109 OE1 GLU A 128 6.462 11.858 30.278 1.00 61.43 O ATOM 2110 OE2 GLU A 128 8.147 10.478 29.984 1.00 61.43 O ATOM 0 H GLU A 128 4.537 9.608 26.672 1.00 14.45 H new ATOM 0 HA GLU A 128 4.138 8.091 28.989 1.00 4.14 H new ATOM 0 HB2 GLU A 128 4.303 11.106 28.597 1.00 50.11 H new ATOM 0 HB3 GLU A 128 4.464 10.288 30.139 1.00 50.11 H new ATOM 0 HG2 GLU A 128 6.389 8.956 28.934 1.00 22.45 H new ATOM 0 HG3 GLU A 128 6.353 10.285 27.792 1.00 22.45 H new ATOM 2117 N ARG A 129 1.689 10.213 28.313 1.00 53.40 N ATOM 2118 CA ARG A 129 0.291 10.515 28.596 1.00 33.15 C ATOM 2119 C ARG A 129 -0.580 9.275 28.416 1.00 54.24 C ATOM 2120 O ARG A 129 -1.619 9.134 29.062 1.00 44.23 O ATOM 2121 CB ARG A 129 -0.206 11.638 27.684 1.00 31.02 C ATOM 2122 CG ARG A 129 -0.210 11.268 26.210 1.00 41.31 C ATOM 2123 CD ARG A 129 -1.006 12.269 25.387 1.00 61.13 C ATOM 2124 NE ARG A 129 -0.296 13.536 25.229 1.00 33.33 N ATOM 2125 CZ ARG A 129 -0.731 14.531 24.465 1.00 10.41 C ATOM 2126 NH1 ARG A 129 -1.867 14.408 23.792 1.00 1.15 N ATOM 2127 NH2 ARG A 129 -0.029 15.654 24.373 1.00 72.20 N ATOM 0 H ARG A 129 2.117 10.817 27.612 1.00 53.40 H new ATOM 0 HA ARG A 129 0.219 10.841 29.634 1.00 33.15 H new ATOM 0 HB2 ARG A 129 -1.216 11.917 27.983 1.00 31.02 H new ATOM 0 HB3 ARG A 129 0.423 12.517 27.828 1.00 31.02 H new ATOM 0 HG2 ARG A 129 0.815 11.226 25.842 1.00 41.31 H new ATOM 0 HG3 ARG A 129 -0.635 10.272 26.085 1.00 41.31 H new ATOM 0 HD2 ARG A 129 -1.215 11.846 24.405 1.00 61.13 H new ATOM 0 HD3 ARG A 129 -1.968 12.450 25.867 1.00 61.13 H new ATOM 0 HE ARG A 129 0.582 13.663 25.733 1.00 33.33 H new ATOM 0 HH11 ARG A 129 -2.410 13.547 23.860 1.00 1.15 H new ATOM 0 HH12 ARG A 129 -2.198 15.174 23.206 1.00 1.15 H new ATOM 0 HH21 ARG A 129 0.845 15.753 24.889 1.00 72.20 H new ATOM 0 HH22 ARG A 129 -0.364 16.418 23.786 1.00 72.20 H new ATOM 2141 N SER A 130 -0.150 8.380 27.532 1.00 34.13 N ATOM 2142 CA SER A 130 -0.893 7.154 27.263 1.00 40.20 C ATOM 2143 C SER A 130 -1.085 6.343 28.541 1.00 11.40 C ATOM 2144 O SER A 130 -2.195 5.914 28.857 1.00 75.01 O ATOM 2145 CB SER A 130 -0.164 6.311 26.215 1.00 22.23 C ATOM 2146 OG SER A 130 0.285 7.113 25.137 1.00 3.32 O ATOM 0 H SER A 130 0.708 8.481 26.990 1.00 34.13 H new ATOM 0 HA SER A 130 -1.875 7.430 26.878 1.00 40.20 H new ATOM 0 HB2 SER A 130 0.686 5.807 26.676 1.00 22.23 H new ATOM 0 HB3 SER A 130 -0.831 5.534 25.841 1.00 22.23 H new ATOM 0 HG SER A 130 0.371 6.561 24.332 1.00 3.32 H new ATOM 2152 N LEU A 131 0.004 6.138 29.273 1.00 64.32 N ATOM 2153 CA LEU A 131 -0.042 5.378 30.518 1.00 51.44 C ATOM 2154 C LEU A 131 -0.668 6.205 31.636 1.00 30.14 C ATOM 2155 O LEU A 131 -1.394 5.678 32.479 1.00 51.12 O ATOM 2156 CB LEU A 131 1.366 4.936 30.921 1.00 15.10 C ATOM 2157 CG LEU A 131 2.148 4.147 29.871 1.00 72.32 C ATOM 2158 CD1 LEU A 131 1.210 3.272 29.053 1.00 65.11 C ATOM 2159 CD2 LEU A 131 2.926 5.090 28.965 1.00 22.21 C ATOM 0 H LEU A 131 0.930 6.487 29.026 1.00 64.32 H new ATOM 0 HA LEU A 131 -0.660 4.495 30.354 1.00 51.44 H new ATOM 0 HB2 LEU A 131 1.942 5.823 31.184 1.00 15.10 H new ATOM 0 HB3 LEU A 131 1.290 4.327 31.822 1.00 15.10 H new ATOM 0 HG LEU A 131 2.859 3.501 30.385 1.00 72.32 H new ATOM 0 HD11 LEU A 131 1.784 2.718 28.311 1.00 65.11 H new ATOM 0 HD12 LEU A 131 0.698 2.571 29.713 1.00 65.11 H new ATOM 0 HD13 LEU A 131 0.475 3.899 28.549 1.00 65.11 H new ATOM 0 HD21 LEU A 131 3.477 4.511 28.224 1.00 22.21 H new ATOM 0 HD22 LEU A 131 2.233 5.762 28.459 1.00 22.21 H new ATOM 0 HD23 LEU A 131 3.626 5.674 29.563 1.00 22.21 H new