USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 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 46 ASN : amide:sc= -0.189 K(o=-0.22,f=-2.4) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 160:sc= -0.0935 (180deg=-0.392) USER MOD Set 1.3: A 53 TYR OH : rot -112:sc= 0.0589 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -170:sc= -1.24 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 16 ASN : amide:sc= -0.0576 X(o=-0.058,f=-0.34) USER MOD Single : A 17 ASN : amide:sc= -0.164 K(o=-0.16,f=-0.81) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -116:sc= -0.652 (180deg=-2.33!) USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= -0.525 (180deg=-5.37!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.551 K(o=-0.55,f=-0.04) USER MOD Single : A 31 CYS SG : rot 120:sc= -1.09 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 39 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.26) USER MOD Single : A 40 SER OG : rot 49:sc= 0.277 USER MOD Single : A 50 ASN : amide:sc= -3.67 K(o=-3.7,f=-8.5!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 74 SER OG : rot 180:sc= 0.108 USER MOD Single : A 75 MET CE :methyl -177:sc= 0 (180deg=-0.0133) USER MOD Single : A 78 GLN : amide:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.1) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 87 GLN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 82:sc= 0.392 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PRO A 5 -2.128 8.321 -8.639 1.00 55.33 N ATOM 63 CA PRO A 5 -1.942 8.320 -10.093 1.00 52.33 C ATOM 64 C PRO A 5 -1.420 9.656 -10.612 1.00 24.33 C ATOM 65 O PRO A 5 -0.737 9.711 -11.634 1.00 41.11 O ATOM 66 CB PRO A 5 -3.350 8.052 -10.631 1.00 60.21 C ATOM 67 CG PRO A 5 -4.264 8.539 -9.560 1.00 42.13 C ATOM 68 CD PRO A 5 -3.551 8.286 -8.261 1.00 30.13 C ATOM 0 HA PRO A 5 -1.203 7.584 -10.408 1.00 52.33 H new ATOM 0 HB2 PRO A 5 -3.523 8.580 -11.569 1.00 60.21 H new ATOM 0 HB3 PRO A 5 -3.503 6.991 -10.830 1.00 60.21 H new ATOM 0 HG2 PRO A 5 -4.482 9.600 -9.685 1.00 42.13 H new ATOM 0 HG3 PRO A 5 -5.217 8.012 -9.591 1.00 42.13 H new ATOM 0 HD2 PRO A 5 -3.788 9.047 -7.518 1.00 30.13 H new ATOM 0 HD3 PRO A 5 -3.829 7.324 -7.831 1.00 30.13 H new ATOM 76 N ALA A 6 -1.745 10.730 -9.900 1.00 25.34 N ATOM 77 CA ALA A 6 -1.305 12.065 -10.287 1.00 35.42 C ATOM 78 C ALA A 6 -1.651 12.355 -11.743 1.00 52.24 C ATOM 79 O ALA A 6 -0.940 13.094 -12.426 1.00 24.24 O ATOM 80 CB ALA A 6 0.191 12.215 -10.057 1.00 41.24 C ATOM 0 H ALA A 6 -2.311 10.702 -9.052 1.00 25.34 H new ATOM 0 HA ALA A 6 -1.831 12.789 -9.665 1.00 35.42 H new ATOM 0 HB1 ALA A 6 0.506 13.217 -10.350 1.00 41.24 H new ATOM 0 HB2 ALA A 6 0.414 12.059 -9.002 1.00 41.24 H new ATOM 0 HB3 ALA A 6 0.727 11.477 -10.654 1.00 41.24 H new ATOM 86 N LEU A 7 -2.747 11.770 -12.215 1.00 24.14 N ATOM 87 CA LEU A 7 -3.187 11.966 -13.592 1.00 23.34 C ATOM 88 C LEU A 7 -4.393 12.897 -13.650 1.00 74.25 C ATOM 89 O LEU A 7 -4.632 13.555 -14.663 1.00 31.33 O ATOM 90 CB LEU A 7 -3.534 10.621 -14.233 1.00 21.02 C ATOM 91 CG LEU A 7 -2.348 9.751 -14.651 1.00 73.31 C ATOM 92 CD1 LEU A 7 -2.793 8.313 -14.873 1.00 10.42 C ATOM 93 CD2 LEU A 7 -1.694 10.308 -15.907 1.00 12.31 C ATOM 0 H LEU A 7 -3.347 11.156 -11.664 1.00 24.14 H new ATOM 0 HA LEU A 7 -2.370 12.426 -14.148 1.00 23.34 H new ATOM 0 HB2 LEU A 7 -4.146 10.054 -13.531 1.00 21.02 H new ATOM 0 HB3 LEU A 7 -4.149 10.808 -15.113 1.00 21.02 H new ATOM 0 HG LEU A 7 -1.612 9.763 -13.847 1.00 73.31 H new ATOM 0 HD11 LEU A 7 -1.936 7.709 -15.170 1.00 10.42 H new ATOM 0 HD12 LEU A 7 -3.215 7.916 -13.950 1.00 10.42 H new ATOM 0 HD13 LEU A 7 -3.548 8.283 -15.659 1.00 10.42 H new ATOM 0 HD21 LEU A 7 -0.852 9.676 -16.190 1.00 12.31 H new ATOM 0 HD22 LEU A 7 -2.422 10.327 -16.718 1.00 12.31 H new ATOM 0 HD23 LEU A 7 -1.339 11.320 -15.714 1.00 12.31 H new ATOM 105 N GLN A 8 -5.149 12.948 -12.558 1.00 62.21 N ATOM 106 CA GLN A 8 -6.330 13.800 -12.486 1.00 22.12 C ATOM 107 C GLN A 8 -6.652 14.162 -11.040 1.00 32.12 C ATOM 108 O GLN A 8 -7.780 13.980 -10.582 1.00 25.34 O ATOM 109 CB GLN A 8 -7.529 13.101 -13.129 1.00 31.05 C ATOM 110 CG GLN A 8 -7.560 13.216 -14.644 1.00 12.40 C ATOM 111 CD GLN A 8 -7.017 11.981 -15.335 1.00 2.24 C ATOM 112 OE1 GLN A 8 -7.205 10.859 -14.864 1.00 1.13 O ATOM 113 NE2 GLN A 8 -6.338 12.181 -16.458 1.00 50.23 N ATOM 0 H GLN A 8 -4.965 12.410 -11.711 1.00 62.21 H new ATOM 0 HA GLN A 8 -6.119 14.719 -13.033 1.00 22.12 H new ATOM 0 HB2 GLN A 8 -7.515 12.047 -12.853 1.00 31.05 H new ATOM 0 HB3 GLN A 8 -8.447 13.525 -12.722 1.00 31.05 H new ATOM 0 HG2 GLN A 8 -8.586 13.389 -14.970 1.00 12.40 H new ATOM 0 HG3 GLN A 8 -6.977 14.085 -14.950 1.00 12.40 H new ATOM 0 HE21 GLN A 8 -6.206 13.128 -16.812 1.00 50.23 H new ATOM 0 HE22 GLN A 8 -5.948 11.387 -16.966 1.00 50.23 H new ATOM 122 N GLU A 9 -5.654 14.675 -10.327 1.00 14.03 N ATOM 123 CA GLU A 9 -5.833 15.061 -8.932 1.00 2.10 C ATOM 124 C GLU A 9 -5.825 16.580 -8.783 1.00 34.24 C ATOM 125 O GLU A 9 -5.477 17.110 -7.727 1.00 74.03 O ATOM 126 CB GLU A 9 -4.732 14.447 -8.065 1.00 1.12 C ATOM 127 CG GLU A 9 -3.328 14.819 -8.511 1.00 24.44 C ATOM 128 CD GLU A 9 -2.262 14.332 -7.548 1.00 61.40 C ATOM 129 OE1 GLU A 9 -2.599 13.548 -6.636 1.00 64.33 O ATOM 130 OE2 GLU A 9 -1.091 14.735 -7.707 1.00 64.33 O ATOM 0 H GLU A 9 -4.715 14.833 -10.692 1.00 14.03 H new ATOM 0 HA GLU A 9 -6.800 14.685 -8.599 1.00 2.10 H new ATOM 0 HB2 GLU A 9 -4.873 14.767 -7.033 1.00 1.12 H new ATOM 0 HB3 GLU A 9 -4.833 13.362 -8.079 1.00 1.12 H new ATOM 0 HG2 GLU A 9 -3.141 14.397 -9.498 1.00 24.44 H new ATOM 0 HG3 GLU A 9 -3.257 15.902 -8.609 1.00 24.44 H new ATOM 137 N LYS A 10 -6.212 17.275 -9.847 1.00 64.12 N ATOM 138 CA LYS A 10 -6.251 18.732 -9.837 1.00 1.42 C ATOM 139 C LYS A 10 -7.041 19.247 -8.638 1.00 23.24 C ATOM 140 O LYS A 10 -8.265 19.125 -8.591 1.00 31.45 O ATOM 141 CB LYS A 10 -6.873 19.255 -11.133 1.00 54.53 C ATOM 142 CG LYS A 10 -5.878 19.400 -12.271 1.00 64.21 C ATOM 143 CD LYS A 10 -6.284 18.569 -13.477 1.00 15.51 C ATOM 144 CE LYS A 10 -5.086 18.227 -14.348 1.00 44.32 C ATOM 145 NZ LYS A 10 -4.586 19.415 -15.095 1.00 22.20 N ATOM 0 H LYS A 10 -6.503 16.852 -10.728 1.00 64.12 H new ATOM 0 HA LYS A 10 -5.227 19.097 -9.759 1.00 1.42 H new ATOM 0 HB2 LYS A 10 -7.670 18.578 -11.442 1.00 54.53 H new ATOM 0 HB3 LYS A 10 -7.334 20.223 -10.940 1.00 54.53 H new ATOM 0 HG2 LYS A 10 -5.804 20.449 -12.559 1.00 64.21 H new ATOM 0 HG3 LYS A 10 -4.889 19.092 -11.932 1.00 64.21 H new ATOM 0 HD2 LYS A 10 -6.765 17.650 -13.142 1.00 15.51 H new ATOM 0 HD3 LYS A 10 -7.019 19.117 -14.067 1.00 15.51 H new ATOM 0 HE2 LYS A 10 -4.286 17.827 -13.725 1.00 44.32 H new ATOM 0 HE3 LYS A 10 -5.362 17.444 -15.054 1.00 44.32 H new ATOM 0 HZ1 LYS A 10 -3.769 19.140 -15.677 1.00 22.20 H new ATOM 0 HZ2 LYS A 10 -5.341 19.782 -15.709 1.00 22.20 H new ATOM 0 HZ3 LYS A 10 -4.298 20.153 -14.421 1.00 22.20 H new ATOM 159 N ILE A 11 -6.333 19.823 -7.672 1.00 20.01 N ATOM 160 CA ILE A 11 -6.969 20.358 -6.475 1.00 11.05 C ATOM 161 C ILE A 11 -7.108 21.874 -6.557 1.00 12.42 C ATOM 162 O ILE A 11 -6.143 22.582 -6.846 1.00 32.21 O ATOM 163 CB ILE A 11 -6.176 19.995 -5.205 1.00 62.34 C ATOM 164 CG1 ILE A 11 -6.910 20.492 -3.959 1.00 10.53 C ATOM 165 CG2 ILE A 11 -4.774 20.582 -5.271 1.00 22.11 C ATOM 166 CD1 ILE A 11 -8.200 19.753 -3.682 1.00 13.12 C ATOM 0 H ILE A 11 -5.319 19.931 -7.695 1.00 20.01 H new ATOM 0 HA ILE A 11 -7.960 19.907 -6.416 1.00 11.05 H new ATOM 0 HB ILE A 11 -6.092 18.910 -5.144 1.00 62.34 H new ATOM 0 HG12 ILE A 11 -6.252 20.393 -3.096 1.00 10.53 H new ATOM 0 HG13 ILE A 11 -7.127 21.554 -4.074 1.00 10.53 H new ATOM 0 HG21 ILE A 11 -4.226 20.317 -4.367 1.00 22.11 H new ATOM 0 HG22 ILE A 11 -4.253 20.183 -6.141 1.00 22.11 H new ATOM 0 HG23 ILE A 11 -4.837 21.667 -5.352 1.00 22.11 H new ATOM 0 HD11 ILE A 11 -8.666 20.159 -2.784 1.00 13.12 H new ATOM 0 HD12 ILE A 11 -8.877 19.873 -4.528 1.00 13.12 H new ATOM 0 HD13 ILE A 11 -7.988 18.694 -3.534 1.00 13.12 H new ATOM 178 N SER A 12 -8.315 22.367 -6.299 1.00 14.21 N ATOM 179 CA SER A 12 -8.582 23.800 -6.346 1.00 11.14 C ATOM 180 C SER A 12 -8.399 24.341 -7.761 1.00 35.25 C ATOM 181 O SER A 12 -7.288 24.367 -8.290 1.00 2.11 O ATOM 182 CB SER A 12 -7.658 24.544 -5.380 1.00 4.01 C ATOM 183 OG SER A 12 -8.062 25.893 -5.224 1.00 42.35 O ATOM 0 H SER A 12 -9.124 21.795 -6.055 1.00 14.21 H new ATOM 0 HA SER A 12 -9.617 23.962 -6.045 1.00 11.14 H new ATOM 0 HB2 SER A 12 -7.663 24.045 -4.411 1.00 4.01 H new ATOM 0 HB3 SER A 12 -6.634 24.509 -5.752 1.00 4.01 H new ATOM 0 HG SER A 12 -7.373 26.386 -4.732 1.00 42.35 H new ATOM 189 N THR A 13 -9.500 24.772 -8.369 1.00 41.31 N ATOM 190 CA THR A 13 -9.463 25.311 -9.723 1.00 14.54 C ATOM 191 C THR A 13 -9.570 26.832 -9.712 1.00 13.13 C ATOM 192 O THR A 13 -8.595 27.533 -9.977 1.00 4.32 O ATOM 193 CB THR A 13 -10.600 24.734 -10.588 1.00 45.50 C ATOM 194 OG1 THR A 13 -10.432 23.320 -10.737 1.00 11.22 O ATOM 195 CG2 THR A 13 -10.624 25.394 -11.958 1.00 53.35 C ATOM 0 H THR A 13 -10.428 24.758 -7.945 1.00 41.31 H new ATOM 0 HA THR A 13 -8.505 25.020 -10.154 1.00 14.54 H new ATOM 0 HB THR A 13 -11.547 24.936 -10.088 1.00 45.50 H new ATOM 0 HG1 THR A 13 -11.159 22.960 -11.286 1.00 11.22 H new ATOM 0 HG21 THR A 13 -11.435 24.971 -12.551 1.00 53.35 H new ATOM 0 HG22 THR A 13 -10.780 26.467 -11.842 1.00 53.35 H new ATOM 0 HG23 THR A 13 -9.674 25.218 -12.463 1.00 53.35 H new ATOM 203 N GLU A 14 -10.762 27.335 -9.403 1.00 24.11 N ATOM 204 CA GLU A 14 -10.994 28.774 -9.358 1.00 74.40 C ATOM 205 C GLU A 14 -10.531 29.359 -8.027 1.00 22.50 C ATOM 206 O GLU A 14 -10.499 30.577 -7.849 1.00 31.15 O ATOM 207 CB GLU A 14 -12.478 29.080 -9.573 1.00 31.41 C ATOM 208 CG GLU A 14 -12.862 29.234 -11.035 1.00 33.22 C ATOM 209 CD GLU A 14 -13.898 30.320 -11.255 1.00 24.25 C ATOM 210 OE1 GLU A 14 -13.538 31.511 -11.148 1.00 54.22 O ATOM 211 OE2 GLU A 14 -15.066 29.979 -11.532 1.00 72.22 O ATOM 0 H GLU A 14 -11.580 26.768 -9.181 1.00 24.11 H new ATOM 0 HA GLU A 14 -10.415 29.235 -10.158 1.00 74.40 H new ATOM 0 HB2 GLU A 14 -13.073 28.280 -9.132 1.00 31.41 H new ATOM 0 HB3 GLU A 14 -12.732 29.997 -9.041 1.00 31.41 H new ATOM 0 HG2 GLU A 14 -11.971 29.464 -11.619 1.00 33.22 H new ATOM 0 HG3 GLU A 14 -13.251 28.286 -11.407 1.00 33.22 H new ATOM 218 N LEU A 15 -10.173 28.482 -7.095 1.00 65.03 N ATOM 219 CA LEU A 15 -9.711 28.910 -5.779 1.00 62.03 C ATOM 220 C LEU A 15 -10.887 29.301 -4.890 1.00 42.02 C ATOM 221 O LEU A 15 -10.729 29.496 -3.686 1.00 30.02 O ATOM 222 CB LEU A 15 -8.745 30.088 -5.914 1.00 41.44 C ATOM 223 CG LEU A 15 -7.607 30.144 -4.894 1.00 52.22 C ATOM 224 CD1 LEU A 15 -6.259 30.158 -5.598 1.00 72.11 C ATOM 225 CD2 LEU A 15 -7.755 31.364 -3.997 1.00 2.31 C ATOM 0 H LEU A 15 -10.194 27.471 -7.226 1.00 65.03 H new ATOM 0 HA LEU A 15 -9.190 28.073 -5.314 1.00 62.03 H new ATOM 0 HB2 LEU A 15 -8.310 30.062 -6.913 1.00 41.44 H new ATOM 0 HB3 LEU A 15 -9.318 31.012 -5.840 1.00 41.44 H new ATOM 0 HG LEU A 15 -7.659 29.251 -4.271 1.00 52.22 H new ATOM 0 HD11 LEU A 15 -5.461 30.198 -4.856 1.00 72.11 H new ATOM 0 HD12 LEU A 15 -6.152 29.254 -6.197 1.00 72.11 H new ATOM 0 HD13 LEU A 15 -6.196 31.032 -6.246 1.00 72.11 H new ATOM 0 HD21 LEU A 15 -6.937 31.388 -3.277 1.00 2.31 H new ATOM 0 HD22 LEU A 15 -7.730 32.268 -4.605 1.00 2.31 H new ATOM 0 HD23 LEU A 15 -8.705 31.311 -3.465 1.00 2.31 H new ATOM 237 N ASN A 16 -12.066 29.412 -5.493 1.00 34.34 N ATOM 238 CA ASN A 16 -13.270 29.778 -4.755 1.00 30.41 C ATOM 239 C ASN A 16 -14.080 28.538 -4.386 1.00 5.35 C ATOM 240 O ASN A 16 -14.518 28.388 -3.246 1.00 53.21 O ATOM 241 CB ASN A 16 -14.130 30.734 -5.583 1.00 51.05 C ATOM 242 CG ASN A 16 -14.464 32.009 -4.833 1.00 60.21 C ATOM 243 OD1 ASN A 16 -14.680 31.990 -3.621 1.00 54.43 O ATOM 244 ND2 ASN A 16 -14.507 33.124 -5.552 1.00 55.42 N ATOM 0 H ASN A 16 -12.214 29.254 -6.490 1.00 34.34 H new ATOM 0 HA ASN A 16 -12.965 30.278 -3.836 1.00 30.41 H new ATOM 0 HB2 ASN A 16 -13.605 30.985 -6.505 1.00 51.05 H new ATOM 0 HB3 ASN A 16 -15.054 30.232 -5.869 1.00 51.05 H new ATOM 0 HD21 ASN A 16 -14.726 34.013 -5.102 1.00 55.42 H new ATOM 0 HD22 ASN A 16 -14.321 33.092 -6.554 1.00 55.42 H new ATOM 251 N ASN A 17 -14.273 27.653 -5.358 1.00 25.23 N ATOM 252 CA ASN A 17 -15.029 26.426 -5.135 1.00 51.11 C ATOM 253 C ASN A 17 -14.183 25.390 -4.401 1.00 44.43 C ATOM 254 O ASN A 17 -14.709 24.445 -3.813 1.00 40.35 O ATOM 255 CB ASN A 17 -15.515 25.853 -6.468 1.00 23.31 C ATOM 256 CG ASN A 17 -15.985 26.931 -7.424 1.00 42.44 C ATOM 257 OD1 ASN A 17 -16.488 27.974 -7.004 1.00 25.52 O ATOM 258 ND2 ASN A 17 -15.823 26.685 -8.719 1.00 52.23 N ATOM 0 H ASN A 17 -13.917 27.762 -6.307 1.00 25.23 H new ATOM 0 HA ASN A 17 -15.892 26.668 -4.515 1.00 51.11 H new ATOM 0 HB2 ASN A 17 -14.708 25.286 -6.932 1.00 23.31 H new ATOM 0 HB3 ASN A 17 -16.331 25.154 -6.284 1.00 23.31 H new ATOM 0 HD21 ASN A 17 -16.120 27.374 -9.410 1.00 52.23 H new ATOM 0 HD22 ASN A 17 -15.401 25.807 -9.023 1.00 52.23 H new ATOM 265 N LYS A 18 -12.867 25.575 -4.439 1.00 53.23 N ATOM 266 CA LYS A 18 -11.946 24.659 -3.777 1.00 51.31 C ATOM 267 C LYS A 18 -12.343 24.447 -2.320 1.00 12.43 C ATOM 268 O LYS A 18 -12.194 23.352 -1.780 1.00 62.50 O ATOM 269 CB LYS A 18 -10.516 25.198 -3.854 1.00 23.01 C ATOM 270 CG LYS A 18 -10.293 26.453 -3.029 1.00 15.55 C ATOM 271 CD LYS A 18 -9.707 26.128 -1.665 1.00 60.01 C ATOM 272 CE LYS A 18 -8.280 25.614 -1.780 1.00 71.04 C ATOM 273 NZ LYS A 18 -7.292 26.599 -1.260 1.00 20.11 N ATOM 0 H LYS A 18 -12.415 26.352 -4.922 1.00 53.23 H new ATOM 0 HA LYS A 18 -11.994 23.699 -4.291 1.00 51.31 H new ATOM 0 HB2 LYS A 18 -9.827 24.424 -3.516 1.00 23.01 H new ATOM 0 HB3 LYS A 18 -10.272 25.410 -4.895 1.00 23.01 H new ATOM 0 HG2 LYS A 18 -9.622 27.126 -3.563 1.00 15.55 H new ATOM 0 HG3 LYS A 18 -11.239 26.980 -2.903 1.00 15.55 H new ATOM 0 HD2 LYS A 18 -9.724 27.020 -1.038 1.00 60.01 H new ATOM 0 HD3 LYS A 18 -10.326 25.379 -1.171 1.00 60.01 H new ATOM 0 HE2 LYS A 18 -8.185 24.679 -1.228 1.00 71.04 H new ATOM 0 HE3 LYS A 18 -8.057 25.392 -2.824 1.00 71.04 H new ATOM 0 HZ1 LYS A 18 -6.332 26.211 -1.356 1.00 20.11 H new ATOM 0 HZ2 LYS A 18 -7.364 27.483 -1.803 1.00 20.11 H new ATOM 0 HZ3 LYS A 18 -7.489 26.792 -0.257 1.00 20.11 H new ATOM 287 N GLN A 19 -12.850 25.502 -1.690 1.00 13.21 N ATOM 288 CA GLN A 19 -13.269 25.430 -0.295 1.00 74.12 C ATOM 289 C GLN A 19 -14.429 24.454 -0.125 1.00 64.50 C ATOM 290 O GLN A 19 -14.422 23.618 0.780 1.00 51.25 O ATOM 291 CB GLN A 19 -13.676 26.815 0.210 1.00 42.52 C ATOM 292 CG GLN A 19 -12.513 27.629 0.755 1.00 14.23 C ATOM 293 CD GLN A 19 -12.458 29.029 0.175 1.00 22.23 C ATOM 294 OE1 GLN A 19 -11.527 29.375 -0.553 1.00 74.23 O ATOM 295 NE2 GLN A 19 -13.457 29.843 0.496 1.00 63.10 N ATOM 0 H GLN A 19 -12.980 26.416 -2.123 1.00 13.21 H new ATOM 0 HA GLN A 19 -12.425 25.070 0.293 1.00 74.12 H new ATOM 0 HB2 GLN A 19 -14.145 27.367 -0.605 1.00 42.52 H new ATOM 0 HB3 GLN A 19 -14.427 26.702 0.992 1.00 42.52 H new ATOM 0 HG2 GLN A 19 -12.596 27.692 1.840 1.00 14.23 H new ATOM 0 HG3 GLN A 19 -11.579 27.112 0.536 1.00 14.23 H new ATOM 0 HE21 GLN A 19 -14.208 29.514 1.103 1.00 63.10 H new ATOM 0 HE22 GLN A 19 -13.473 30.797 0.136 1.00 63.10 H new ATOM 304 N TYR A 20 -15.422 24.565 -0.999 1.00 73.35 N ATOM 305 CA TYR A 20 -16.590 23.693 -0.944 1.00 51.53 C ATOM 306 C TYR A 20 -16.230 22.273 -1.368 1.00 75.23 C ATOM 307 O TYR A 20 -16.607 21.304 -0.710 1.00 62.54 O ATOM 308 CB TYR A 20 -17.702 24.239 -1.841 1.00 55.22 C ATOM 309 CG TYR A 20 -18.240 25.579 -1.392 1.00 45.53 C ATOM 310 CD1 TYR A 20 -17.558 26.755 -1.680 1.00 42.24 C ATOM 311 CD2 TYR A 20 -19.430 25.670 -0.681 1.00 23.12 C ATOM 312 CE1 TYR A 20 -18.044 27.982 -1.272 1.00 35.35 C ATOM 313 CE2 TYR A 20 -19.925 26.892 -0.269 1.00 43.22 C ATOM 314 CZ TYR A 20 -19.228 28.045 -0.566 1.00 53.05 C ATOM 315 OH TYR A 20 -19.717 29.265 -0.159 1.00 32.04 O ATOM 0 H TYR A 20 -15.442 25.250 -1.754 1.00 73.35 H new ATOM 0 HA TYR A 20 -16.944 23.666 0.087 1.00 51.53 H new ATOM 0 HB2 TYR A 20 -17.323 24.332 -2.859 1.00 55.22 H new ATOM 0 HB3 TYR A 20 -18.520 23.520 -1.870 1.00 55.22 H new ATOM 0 HD1 TYR A 20 -16.631 26.709 -2.233 1.00 42.24 H new ATOM 0 HD2 TYR A 20 -19.978 24.769 -0.446 1.00 23.12 H new ATOM 0 HE1 TYR A 20 -17.501 28.886 -1.504 1.00 35.35 H new ATOM 0 HE2 TYR A 20 -20.852 26.945 0.282 1.00 43.22 H new ATOM 0 HH TYR A 20 -20.559 29.135 0.325 1.00 32.04 H new ATOM 325 N GLU A 21 -15.499 22.159 -2.472 1.00 44.13 N ATOM 326 CA GLU A 21 -15.088 20.857 -2.985 1.00 2.21 C ATOM 327 C GLU A 21 -14.212 20.126 -1.972 1.00 64.42 C ATOM 328 O GLU A 21 -14.411 18.940 -1.703 1.00 54.30 O ATOM 329 CB GLU A 21 -14.333 21.020 -4.306 1.00 22.41 C ATOM 330 CG GLU A 21 -15.221 20.901 -5.533 1.00 41.41 C ATOM 331 CD GLU A 21 -15.375 22.217 -6.270 1.00 51.45 C ATOM 332 OE1 GLU A 21 -14.384 22.974 -6.346 1.00 73.13 O ATOM 333 OE2 GLU A 21 -16.486 22.491 -6.771 1.00 62.12 O ATOM 0 H GLU A 21 -15.179 22.952 -3.028 1.00 44.13 H new ATOM 0 HA GLU A 21 -15.985 20.263 -3.159 1.00 2.21 H new ATOM 0 HB2 GLU A 21 -13.842 21.993 -4.316 1.00 22.41 H new ATOM 0 HB3 GLU A 21 -13.548 20.266 -4.362 1.00 22.41 H new ATOM 0 HG2 GLU A 21 -14.802 20.157 -6.210 1.00 41.41 H new ATOM 0 HG3 GLU A 21 -16.204 20.540 -5.232 1.00 41.41 H new ATOM 340 N LEU A 22 -13.240 20.840 -1.414 1.00 72.44 N ATOM 341 CA LEU A 22 -12.332 20.259 -0.431 1.00 41.43 C ATOM 342 C LEU A 22 -13.060 19.965 0.876 1.00 13.52 C ATOM 343 O LEU A 22 -12.735 19.008 1.578 1.00 33.24 O ATOM 344 CB LEU A 22 -11.157 21.205 -0.173 1.00 34.33 C ATOM 345 CG LEU A 22 -10.173 20.771 0.914 1.00 71.51 C ATOM 346 CD1 LEU A 22 -8.757 20.723 0.363 1.00 65.22 C ATOM 347 CD2 LEU A 22 -10.251 21.709 2.110 1.00 62.44 C ATOM 0 H LEU A 22 -13.061 21.822 -1.625 1.00 72.44 H new ATOM 0 HA LEU A 22 -11.953 19.319 -0.833 1.00 41.43 H new ATOM 0 HB2 LEU A 22 -10.606 21.330 -1.105 1.00 34.33 H new ATOM 0 HB3 LEU A 22 -11.556 22.183 0.095 1.00 34.33 H new ATOM 0 HG LEU A 22 -10.446 19.769 1.246 1.00 71.51 H new ATOM 0 HD11 LEU A 22 -8.070 20.412 1.151 1.00 65.22 H new ATOM 0 HD12 LEU A 22 -8.711 20.010 -0.461 1.00 65.22 H new ATOM 0 HD13 LEU A 22 -8.473 21.712 0.003 1.00 65.22 H new ATOM 0 HD21 LEU A 22 -9.544 21.385 2.873 1.00 62.44 H new ATOM 0 HD22 LEU A 22 -10.004 22.723 1.794 1.00 62.44 H new ATOM 0 HD23 LEU A 22 -11.261 21.692 2.520 1.00 62.44 H new ATOM 359 N PHE A 23 -14.049 20.794 1.196 1.00 5.33 N ATOM 360 CA PHE A 23 -14.825 20.623 2.419 1.00 65.31 C ATOM 361 C PHE A 23 -15.502 19.256 2.446 1.00 64.40 C ATOM 362 O PHE A 23 -15.461 18.551 3.454 1.00 22.11 O ATOM 363 CB PHE A 23 -15.876 21.728 2.540 1.00 30.41 C ATOM 364 CG PHE A 23 -16.780 21.567 3.729 1.00 3.41 C ATOM 365 CD1 PHE A 23 -16.338 21.894 5.001 1.00 43.51 C ATOM 366 CD2 PHE A 23 -18.071 21.090 3.575 1.00 53.11 C ATOM 367 CE1 PHE A 23 -17.167 21.747 6.097 1.00 50.14 C ATOM 368 CE2 PHE A 23 -18.905 20.941 4.667 1.00 54.10 C ATOM 369 CZ PHE A 23 -18.453 21.271 5.929 1.00 2.14 C ATOM 0 H PHE A 23 -14.332 21.591 0.625 1.00 5.33 H new ATOM 0 HA PHE A 23 -14.142 20.687 3.266 1.00 65.31 H new ATOM 0 HB2 PHE A 23 -15.372 22.692 2.605 1.00 30.41 H new ATOM 0 HB3 PHE A 23 -16.481 21.744 1.633 1.00 30.41 H new ATOM 0 HD1 PHE A 23 -15.334 22.268 5.137 1.00 43.51 H new ATOM 0 HD2 PHE A 23 -18.430 20.831 2.590 1.00 53.11 H new ATOM 0 HE1 PHE A 23 -16.810 22.004 7.083 1.00 50.14 H new ATOM 0 HE2 PHE A 23 -19.909 20.567 4.533 1.00 54.10 H new ATOM 0 HZ PHE A 23 -19.104 21.157 6.783 1.00 2.14 H new ATOM 379 N MET A 24 -16.124 18.888 1.331 1.00 55.21 N ATOM 380 CA MET A 24 -16.810 17.605 1.226 1.00 12.52 C ATOM 381 C MET A 24 -15.822 16.485 0.918 1.00 34.44 C ATOM 382 O MET A 24 -16.011 15.343 1.340 1.00 54.31 O ATOM 383 CB MET A 24 -17.886 17.665 0.140 1.00 12.32 C ATOM 384 CG MET A 24 -19.180 18.315 0.602 1.00 35.24 C ATOM 385 SD MET A 24 -20.116 17.269 1.735 1.00 53.50 S ATOM 386 CE MET A 24 -21.256 18.462 2.433 1.00 71.02 C ATOM 0 H MET A 24 -16.167 19.460 0.487 1.00 55.21 H new ATOM 0 HA MET A 24 -17.284 17.395 2.185 1.00 12.52 H new ATOM 0 HB2 MET A 24 -17.497 18.217 -0.715 1.00 12.32 H new ATOM 0 HB3 MET A 24 -18.100 16.653 -0.204 1.00 12.32 H new ATOM 0 HG2 MET A 24 -18.952 19.262 1.092 1.00 35.24 H new ATOM 0 HG3 MET A 24 -19.797 18.546 -0.267 1.00 35.24 H new ATOM 0 HE1 MET A 24 -21.065 18.566 3.501 1.00 71.02 H new ATOM 0 HE2 MET A 24 -21.118 19.426 1.944 1.00 71.02 H new ATOM 0 HE3 MET A 24 -22.280 18.120 2.280 1.00 71.02 H new ATOM 396 N LYS A 25 -14.768 16.817 0.181 1.00 75.24 N ATOM 397 CA LYS A 25 -13.750 15.839 -0.183 1.00 42.13 C ATOM 398 C LYS A 25 -13.004 15.345 1.052 1.00 42.10 C ATOM 399 O LYS A 25 -12.791 14.145 1.221 1.00 22.43 O ATOM 400 CB LYS A 25 -12.761 16.449 -1.179 1.00 40.04 C ATOM 401 CG LYS A 25 -11.686 15.480 -1.640 1.00 70.11 C ATOM 402 CD LYS A 25 -10.443 16.212 -2.118 1.00 72.24 C ATOM 403 CE LYS A 25 -9.707 16.874 -0.964 1.00 33.14 C ATOM 404 NZ LYS A 25 -8.256 17.042 -1.254 1.00 34.40 N ATOM 0 H LYS A 25 -14.596 17.757 -0.176 1.00 75.24 H new ATOM 0 HA LYS A 25 -14.248 14.989 -0.649 1.00 42.13 H new ATOM 0 HB2 LYS A 25 -13.310 16.810 -2.049 1.00 40.04 H new ATOM 0 HB3 LYS A 25 -12.285 17.316 -0.721 1.00 40.04 H new ATOM 0 HG2 LYS A 25 -11.423 14.811 -0.821 1.00 70.11 H new ATOM 0 HG3 LYS A 25 -12.076 14.859 -2.446 1.00 70.11 H new ATOM 0 HD2 LYS A 25 -9.777 15.510 -2.621 1.00 72.24 H new ATOM 0 HD3 LYS A 25 -10.724 16.967 -2.852 1.00 72.24 H new ATOM 0 HE2 LYS A 25 -10.152 17.848 -0.761 1.00 33.14 H new ATOM 0 HE3 LYS A 25 -9.830 16.273 -0.063 1.00 33.14 H new ATOM 0 HZ1 LYS A 25 -7.698 16.540 -0.534 1.00 34.40 H new ATOM 0 HZ2 LYS A 25 -8.042 16.650 -2.193 1.00 34.40 H new ATOM 0 HZ3 LYS A 25 -8.013 18.053 -1.237 1.00 34.40 H new ATOM 418 N SER A 26 -12.610 16.278 1.913 1.00 54.41 N ATOM 419 CA SER A 26 -11.886 15.937 3.132 1.00 52.53 C ATOM 420 C SER A 26 -12.788 15.189 4.108 1.00 32.13 C ATOM 421 O SER A 26 -12.357 14.243 4.770 1.00 53.41 O ATOM 422 CB SER A 26 -11.337 17.202 3.794 1.00 2.33 C ATOM 423 OG SER A 26 -10.082 17.563 3.243 1.00 30.22 O ATOM 0 H SER A 26 -12.780 17.276 1.789 1.00 54.41 H new ATOM 0 HA SER A 26 -11.054 15.286 2.862 1.00 52.53 H new ATOM 0 HB2 SER A 26 -12.044 18.021 3.663 1.00 2.33 H new ATOM 0 HB3 SER A 26 -11.233 17.039 4.867 1.00 2.33 H new ATOM 0 HG SER A 26 -9.754 18.375 3.682 1.00 30.22 H new ATOM 429 N LEU A 27 -14.042 15.618 4.193 1.00 13.43 N ATOM 430 CA LEU A 27 -15.007 14.990 5.089 1.00 73.13 C ATOM 431 C LEU A 27 -15.273 13.546 4.676 1.00 73.23 C ATOM 432 O LEU A 27 -15.219 12.634 5.501 1.00 30.13 O ATOM 433 CB LEU A 27 -16.317 15.780 5.095 1.00 51.02 C ATOM 434 CG LEU A 27 -16.524 16.727 6.277 1.00 12.13 C ATOM 435 CD1 LEU A 27 -16.471 15.961 7.590 1.00 10.31 C ATOM 436 CD2 LEU A 27 -15.482 17.836 6.262 1.00 62.43 C ATOM 0 H LEU A 27 -14.415 16.398 3.652 1.00 13.43 H new ATOM 0 HA LEU A 27 -14.586 14.990 6.094 1.00 73.13 H new ATOM 0 HB2 LEU A 27 -16.371 16.362 4.175 1.00 51.02 H new ATOM 0 HB3 LEU A 27 -17.145 15.072 5.073 1.00 51.02 H new ATOM 0 HG LEU A 27 -17.510 17.182 6.185 1.00 12.13 H new ATOM 0 HD11 LEU A 27 -16.620 16.651 8.420 1.00 10.31 H new ATOM 0 HD12 LEU A 27 -17.255 15.204 7.602 1.00 10.31 H new ATOM 0 HD13 LEU A 27 -15.499 15.478 7.690 1.00 10.31 H new ATOM 0 HD21 LEU A 27 -15.645 18.500 7.111 1.00 62.43 H new ATOM 0 HD22 LEU A 27 -14.485 17.400 6.329 1.00 62.43 H new ATOM 0 HD23 LEU A 27 -15.568 18.404 5.335 1.00 62.43 H new ATOM 448 N ILE A 28 -15.558 13.346 3.393 1.00 34.35 N ATOM 449 CA ILE A 28 -15.829 12.012 2.871 1.00 51.22 C ATOM 450 C ILE A 28 -14.632 11.090 3.072 1.00 62.54 C ATOM 451 O ILE A 28 -14.778 9.960 3.538 1.00 41.31 O ATOM 452 CB ILE A 28 -16.184 12.056 1.373 1.00 44.03 C ATOM 453 CG1 ILE A 28 -17.496 12.813 1.159 1.00 72.33 C ATOM 454 CG2 ILE A 28 -16.281 10.646 0.810 1.00 71.10 C ATOM 455 CD1 ILE A 28 -18.726 11.991 1.476 1.00 1.24 C ATOM 0 H ILE A 28 -15.607 14.090 2.697 1.00 34.35 H new ATOM 0 HA ILE A 28 -16.682 11.622 3.427 1.00 51.22 H new ATOM 0 HB ILE A 28 -15.392 12.584 0.842 1.00 44.03 H new ATOM 0 HG12 ILE A 28 -17.496 13.707 1.782 1.00 72.33 H new ATOM 0 HG13 ILE A 28 -17.549 13.147 0.123 1.00 72.33 H new ATOM 0 HG21 ILE A 28 -16.533 10.694 -0.250 1.00 71.10 H new ATOM 0 HG22 ILE A 28 -15.324 10.138 0.933 1.00 71.10 H new ATOM 0 HG23 ILE A 28 -17.056 10.094 1.342 1.00 71.10 H new ATOM 0 HD11 ILE A 28 -19.619 12.591 1.302 1.00 1.24 H new ATOM 0 HD12 ILE A 28 -18.750 11.110 0.835 1.00 1.24 H new ATOM 0 HD13 ILE A 28 -18.696 11.679 2.520 1.00 1.24 H new ATOM 467 N GLU A 29 -13.448 11.580 2.718 1.00 62.33 N ATOM 468 CA GLU A 29 -12.225 10.799 2.860 1.00 22.44 C ATOM 469 C GLU A 29 -11.909 10.547 4.332 1.00 64.22 C ATOM 470 O GLU A 29 -11.390 9.492 4.694 1.00 22.13 O ATOM 471 CB GLU A 29 -11.052 11.519 2.191 1.00 33.04 C ATOM 472 CG GLU A 29 -10.953 11.262 0.697 1.00 3.21 C ATOM 473 CD GLU A 29 -12.287 11.403 -0.009 1.00 52.11 C ATOM 474 OE1 GLU A 29 -13.130 10.491 0.128 1.00 4.34 O ATOM 475 OE2 GLU A 29 -12.489 12.424 -0.699 1.00 71.11 O ATOM 0 H GLU A 29 -13.310 12.514 2.331 1.00 62.33 H new ATOM 0 HA GLU A 29 -12.379 9.838 2.369 1.00 22.44 H new ATOM 0 HB2 GLU A 29 -11.150 12.591 2.361 1.00 33.04 H new ATOM 0 HB3 GLU A 29 -10.124 11.204 2.668 1.00 33.04 H new ATOM 0 HG2 GLU A 29 -10.239 11.959 0.259 1.00 3.21 H new ATOM 0 HG3 GLU A 29 -10.562 10.258 0.530 1.00 3.21 H new ATOM 482 N ASN A 30 -12.225 11.525 5.175 1.00 71.53 N ATOM 483 CA ASN A 30 -11.974 11.410 6.607 1.00 50.32 C ATOM 484 C ASN A 30 -12.788 10.271 7.213 1.00 52.04 C ATOM 485 O ASN A 30 -12.238 9.371 7.848 1.00 30.03 O ATOM 486 CB ASN A 30 -12.313 12.725 7.312 1.00 40.34 C ATOM 487 CG ASN A 30 -11.094 13.605 7.512 1.00 60.04 C ATOM 488 OD1 ASN A 30 -10.893 14.171 8.586 1.00 2.21 O ATOM 489 ND2 ASN A 30 -10.274 13.724 6.474 1.00 25.52 N ATOM 0 H ASN A 30 -12.655 12.405 4.891 1.00 71.53 H new ATOM 0 HA ASN A 30 -10.916 11.191 6.748 1.00 50.32 H new ATOM 0 HB2 ASN A 30 -13.057 13.266 6.727 1.00 40.34 H new ATOM 0 HB3 ASN A 30 -12.765 12.509 8.280 1.00 40.34 H new ATOM 0 HD21 ASN A 30 -9.438 14.303 6.548 1.00 25.52 H new ATOM 0 HD22 ASN A 30 -10.481 13.236 5.602 1.00 25.52 H new ATOM 496 N CYS A 31 -14.100 10.317 7.011 1.00 73.33 N ATOM 497 CA CYS A 31 -14.991 9.289 7.537 1.00 71.50 C ATOM 498 C CYS A 31 -14.754 7.954 6.838 1.00 61.11 C ATOM 499 O CYS A 31 -14.695 6.905 7.481 1.00 52.42 O ATOM 500 CB CYS A 31 -16.450 9.714 7.369 1.00 74.12 C ATOM 501 SG CYS A 31 -17.281 10.132 8.920 1.00 42.15 S ATOM 0 H CYS A 31 -14.570 11.055 6.487 1.00 73.33 H new ATOM 0 HA CYS A 31 -14.776 9.166 8.598 1.00 71.50 H new ATOM 0 HB2 CYS A 31 -16.492 10.576 6.703 1.00 74.12 H new ATOM 0 HB3 CYS A 31 -16.998 8.908 6.881 1.00 74.12 H new ATOM 0 HG CYS A 31 -17.686 11.366 8.876 1.00 42.15 H new ATOM 507 N LYS A 32 -14.620 8.000 5.517 1.00 63.42 N ATOM 508 CA LYS A 32 -14.389 6.795 4.729 1.00 74.24 C ATOM 509 C LYS A 32 -13.057 6.150 5.097 1.00 41.12 C ATOM 510 O LYS A 32 -12.895 4.934 4.996 1.00 21.33 O ATOM 511 CB LYS A 32 -14.412 7.126 3.235 1.00 72.24 C ATOM 512 CG LYS A 32 -14.166 5.923 2.341 1.00 23.51 C ATOM 513 CD LYS A 32 -12.983 6.149 1.414 1.00 10.14 C ATOM 514 CE LYS A 32 -13.347 7.073 0.262 1.00 22.21 C ATOM 515 NZ LYS A 32 -13.727 6.312 -0.960 1.00 64.23 N ATOM 0 H LYS A 32 -14.667 8.859 4.969 1.00 63.42 H new ATOM 0 HA LYS A 32 -15.188 6.088 4.951 1.00 74.24 H new ATOM 0 HB2 LYS A 32 -15.378 7.563 2.983 1.00 72.24 H new ATOM 0 HB3 LYS A 32 -13.656 7.883 3.028 1.00 72.24 H new ATOM 0 HG2 LYS A 32 -13.984 5.042 2.957 1.00 23.51 H new ATOM 0 HG3 LYS A 32 -15.059 5.719 1.750 1.00 23.51 H new ATOM 0 HD2 LYS A 32 -12.154 6.577 1.978 1.00 10.14 H new ATOM 0 HD3 LYS A 32 -12.640 5.192 1.020 1.00 10.14 H new ATOM 0 HE2 LYS A 32 -14.174 7.717 0.561 1.00 22.21 H new ATOM 0 HE3 LYS A 32 -12.502 7.723 0.037 1.00 22.21 H new ATOM 0 HZ1 LYS A 32 -14.001 6.977 -1.712 1.00 64.23 H new ATOM 0 HZ2 LYS A 32 -12.918 5.742 -1.279 1.00 64.23 H new ATOM 0 HZ3 LYS A 32 -14.528 5.685 -0.744 1.00 64.23 H new ATOM 529 N LYS A 33 -12.105 6.973 5.525 1.00 33.51 N ATOM 530 CA LYS A 33 -10.787 6.483 5.912 1.00 53.15 C ATOM 531 C LYS A 33 -10.893 5.481 7.057 1.00 72.04 C ATOM 532 O LYS A 33 -9.966 4.712 7.308 1.00 24.33 O ATOM 533 CB LYS A 33 -9.888 7.651 6.323 1.00 24.41 C ATOM 534 CG LYS A 33 -8.914 8.080 5.239 1.00 72.00 C ATOM 535 CD LYS A 33 -8.300 9.436 5.546 1.00 73.32 C ATOM 536 CE LYS A 33 -7.045 9.678 4.722 1.00 51.41 C ATOM 537 NZ LYS A 33 -6.628 11.107 4.755 1.00 44.50 N ATOM 0 H LYS A 33 -12.222 7.982 5.613 1.00 33.51 H new ATOM 0 HA LYS A 33 -10.347 5.978 5.052 1.00 53.15 H new ATOM 0 HB2 LYS A 33 -10.513 8.501 6.595 1.00 24.41 H new ATOM 0 HB3 LYS A 33 -9.326 7.370 7.214 1.00 24.41 H new ATOM 0 HG2 LYS A 33 -8.124 7.335 5.143 1.00 72.00 H new ATOM 0 HG3 LYS A 33 -9.431 8.122 4.280 1.00 72.00 H new ATOM 0 HD2 LYS A 33 -9.028 10.221 5.341 1.00 73.32 H new ATOM 0 HD3 LYS A 33 -8.057 9.495 6.607 1.00 73.32 H new ATOM 0 HE2 LYS A 33 -6.235 9.054 5.101 1.00 51.41 H new ATOM 0 HE3 LYS A 33 -7.224 9.375 3.690 1.00 51.41 H new ATOM 0 HZ1 LYS A 33 -5.769 11.231 4.182 1.00 44.50 H new ATOM 0 HZ2 LYS A 33 -7.390 11.700 4.370 1.00 44.50 H new ATOM 0 HZ3 LYS A 33 -6.433 11.389 5.737 1.00 44.50 H new ATOM 551 N ARG A 34 -12.029 5.495 7.746 1.00 74.22 N ATOM 552 CA ARG A 34 -12.256 4.587 8.864 1.00 60.23 C ATOM 553 C ARG A 34 -12.611 3.189 8.365 1.00 15.04 C ATOM 554 O ARG A 34 -12.790 2.264 9.157 1.00 44.14 O ATOM 555 CB ARG A 34 -13.374 5.119 9.762 1.00 3.13 C ATOM 556 CG ARG A 34 -13.008 5.148 11.237 1.00 21.53 C ATOM 557 CD ARG A 34 -12.415 6.489 11.638 1.00 3.04 C ATOM 558 NE ARG A 34 -13.432 7.533 11.728 1.00 35.44 N ATOM 559 CZ ARG A 34 -14.349 7.584 12.688 1.00 12.22 C ATOM 560 NH1 ARG A 34 -14.375 6.657 13.635 1.00 32.43 N ATOM 561 NH2 ARG A 34 -15.242 8.566 12.702 1.00 33.54 N ATOM 0 H ARG A 34 -12.807 6.125 7.550 1.00 74.22 H new ATOM 0 HA ARG A 34 -11.334 4.525 9.442 1.00 60.23 H new ATOM 0 HB2 ARG A 34 -13.637 6.127 9.442 1.00 3.13 H new ATOM 0 HB3 ARG A 34 -14.261 4.500 9.629 1.00 3.13 H new ATOM 0 HG2 ARG A 34 -13.896 4.948 11.837 1.00 21.53 H new ATOM 0 HG3 ARG A 34 -12.292 4.354 11.451 1.00 21.53 H new ATOM 0 HD2 ARG A 34 -11.912 6.390 12.600 1.00 3.04 H new ATOM 0 HD3 ARG A 34 -11.658 6.782 10.911 1.00 3.04 H new ATOM 0 HE ARG A 34 -13.439 8.263 11.015 1.00 35.44 H new ATOM 0 HH11 ARG A 34 -13.690 5.902 13.628 1.00 32.43 H new ATOM 0 HH12 ARG A 34 -15.080 6.699 14.371 1.00 32.43 H new ATOM 0 HH21 ARG A 34 -15.224 9.282 11.976 1.00 33.54 H new ATOM 0 HH22 ARG A 34 -15.946 8.605 13.439 1.00 33.54 H new ATOM 575 N ASN A 35 -12.713 3.044 7.048 1.00 13.11 N ATOM 576 CA ASN A 35 -13.049 1.760 6.444 1.00 23.32 C ATOM 577 C ASN A 35 -12.135 1.461 5.259 1.00 32.33 C ATOM 578 O ASN A 35 -11.549 0.382 5.172 1.00 43.44 O ATOM 579 CB ASN A 35 -14.510 1.752 5.991 1.00 61.14 C ATOM 580 CG ASN A 35 -15.478 1.813 7.157 1.00 44.33 C ATOM 581 OD1 ASN A 35 -15.678 2.869 7.757 1.00 45.41 O ATOM 582 ND2 ASN A 35 -16.083 0.677 7.483 1.00 13.51 N ATOM 0 H ASN A 35 -12.568 3.800 6.379 1.00 13.11 H new ATOM 0 HA ASN A 35 -12.905 0.984 7.196 1.00 23.32 H new ATOM 0 HB2 ASN A 35 -14.687 2.601 5.331 1.00 61.14 H new ATOM 0 HB3 ASN A 35 -14.702 0.850 5.410 1.00 61.14 H new ATOM 0 HD21 ASN A 35 -16.744 0.656 8.259 1.00 13.51 H new ATOM 0 HD22 ASN A 35 -15.886 -0.175 6.957 1.00 13.51 H new ATOM 589 N MET A 36 -12.020 2.424 4.351 1.00 64.54 N ATOM 590 CA MET A 36 -11.176 2.264 3.172 1.00 60.12 C ATOM 591 C MET A 36 -10.088 3.333 3.133 1.00 75.22 C ATOM 592 O MET A 36 -10.215 4.356 2.460 1.00 4.55 O ATOM 593 CB MET A 36 -12.022 2.334 1.899 1.00 14.23 C ATOM 594 CG MET A 36 -11.217 2.155 0.623 1.00 63.31 C ATOM 595 SD MET A 36 -12.230 1.617 -0.768 1.00 50.54 S ATOM 596 CE MET A 36 -11.756 2.814 -2.014 1.00 73.02 C ATOM 0 H MET A 36 -12.500 3.322 4.408 1.00 64.54 H new ATOM 0 HA MET A 36 -10.698 1.286 3.228 1.00 60.12 H new ATOM 0 HB2 MET A 36 -12.793 1.565 1.943 1.00 14.23 H new ATOM 0 HB3 MET A 36 -12.533 3.296 1.865 1.00 14.23 H new ATOM 0 HG2 MET A 36 -10.730 3.097 0.370 1.00 63.31 H new ATOM 0 HG3 MET A 36 -10.427 1.424 0.796 1.00 63.31 H new ATOM 0 HE1 MET A 36 -12.300 2.613 -2.937 1.00 73.02 H new ATOM 0 HE2 MET A 36 -11.995 3.818 -1.663 1.00 73.02 H new ATOM 0 HE3 MET A 36 -10.685 2.740 -2.201 1.00 73.02 H new ATOM 606 N PRO A 37 -8.994 3.092 3.870 1.00 12.32 N ATOM 607 CA PRO A 37 -7.864 4.023 3.936 1.00 44.01 C ATOM 608 C PRO A 37 -7.086 4.085 2.625 1.00 35.44 C ATOM 609 O PRO A 37 -6.892 3.067 1.959 1.00 51.34 O ATOM 610 CB PRO A 37 -6.989 3.441 5.049 1.00 31.13 C ATOM 611 CG PRO A 37 -7.324 1.989 5.074 1.00 1.41 C ATOM 612 CD PRO A 37 -8.776 1.893 4.696 1.00 32.13 C ATOM 0 HA PRO A 37 -8.190 5.046 4.122 1.00 44.01 H new ATOM 0 HB2 PRO A 37 -5.930 3.600 4.844 1.00 31.13 H new ATOM 0 HB3 PRO A 37 -7.202 3.913 6.008 1.00 31.13 H new ATOM 0 HG2 PRO A 37 -6.701 1.433 4.374 1.00 1.41 H new ATOM 0 HG3 PRO A 37 -7.149 1.565 6.063 1.00 1.41 H new ATOM 0 HD2 PRO A 37 -8.987 0.979 4.141 1.00 32.13 H new ATOM 0 HD3 PRO A 37 -9.421 1.888 5.575 1.00 32.13 H new ATOM 620 N LEU A 38 -6.644 5.283 2.261 1.00 22.04 N ATOM 621 CA LEU A 38 -5.887 5.477 1.030 1.00 45.23 C ATOM 622 C LEU A 38 -4.457 5.913 1.333 1.00 44.34 C ATOM 623 O LEU A 38 -4.007 5.847 2.476 1.00 13.44 O ATOM 624 CB LEU A 38 -6.573 6.519 0.145 1.00 41.13 C ATOM 625 CG LEU A 38 -8.070 6.318 -0.091 1.00 72.44 C ATOM 626 CD1 LEU A 38 -8.386 4.843 -0.285 1.00 72.35 C ATOM 627 CD2 LEU A 38 -8.874 6.889 1.067 1.00 55.40 C ATOM 0 H LEU A 38 -6.797 6.135 2.801 1.00 22.04 H new ATOM 0 HA LEU A 38 -5.853 4.525 0.500 1.00 45.23 H new ATOM 0 HB2 LEU A 38 -6.425 7.501 0.593 1.00 41.13 H new ATOM 0 HB3 LEU A 38 -6.071 6.531 -0.823 1.00 41.13 H new ATOM 0 HG LEU A 38 -8.350 6.852 -0.999 1.00 72.44 H new ATOM 0 HD11 LEU A 38 -9.456 4.719 -0.452 1.00 72.35 H new ATOM 0 HD12 LEU A 38 -7.838 4.464 -1.148 1.00 72.35 H new ATOM 0 HD13 LEU A 38 -8.091 4.287 0.605 1.00 72.35 H new ATOM 0 HD21 LEU A 38 -9.937 6.737 0.882 1.00 55.40 H new ATOM 0 HD22 LEU A 38 -8.591 6.384 1.991 1.00 55.40 H new ATOM 0 HD23 LEU A 38 -8.671 7.956 1.160 1.00 55.40 H new ATOM 639 N GLN A 39 -3.748 6.360 0.300 1.00 15.24 N ATOM 640 CA GLN A 39 -2.370 6.809 0.457 1.00 20.34 C ATOM 641 C GLN A 39 -2.317 8.188 1.105 1.00 3.33 C ATOM 642 O GLN A 39 -1.497 8.439 1.989 1.00 35.52 O ATOM 643 CB GLN A 39 -1.665 6.842 -0.900 1.00 24.14 C ATOM 644 CG GLN A 39 -0.559 5.808 -1.036 1.00 21.41 C ATOM 645 CD GLN A 39 0.466 5.899 0.077 1.00 44.31 C ATOM 646 OE1 GLN A 39 0.576 5.001 0.912 1.00 72.45 O ATOM 647 NE2 GLN A 39 1.225 6.989 0.095 1.00 62.11 N ATOM 0 H GLN A 39 -4.106 6.420 -0.653 1.00 15.24 H new ATOM 0 HA GLN A 39 -1.856 6.102 1.109 1.00 20.34 H new ATOM 0 HB2 GLN A 39 -2.402 6.680 -1.687 1.00 24.14 H new ATOM 0 HB3 GLN A 39 -1.244 7.835 -1.057 1.00 24.14 H new ATOM 0 HG2 GLN A 39 -0.998 4.810 -1.039 1.00 21.41 H new ATOM 0 HG3 GLN A 39 -0.060 5.940 -1.996 1.00 21.41 H new ATOM 0 HE21 GLN A 39 1.100 7.709 -0.617 1.00 62.11 H new ATOM 0 HE22 GLN A 39 1.932 7.106 0.820 1.00 62.11 H new ATOM 656 N SER A 40 -3.195 9.080 0.659 1.00 14.43 N ATOM 657 CA SER A 40 -3.246 10.437 1.193 1.00 64.42 C ATOM 658 C SER A 40 -4.510 11.155 0.731 1.00 4.52 C ATOM 659 O SER A 40 -5.462 11.313 1.496 1.00 25.03 O ATOM 660 CB SER A 40 -2.009 11.225 0.757 1.00 20.11 C ATOM 661 OG SER A 40 -1.078 11.341 1.819 1.00 22.10 O ATOM 0 H SER A 40 -3.881 8.888 -0.071 1.00 14.43 H new ATOM 0 HA SER A 40 -3.263 10.373 2.281 1.00 64.42 H new ATOM 0 HB2 SER A 40 -1.538 10.728 -0.091 1.00 20.11 H new ATOM 0 HB3 SER A 40 -2.307 12.218 0.420 1.00 20.11 H new ATOM 0 HG SER A 40 -0.929 10.460 2.221 1.00 22.10 H new ATOM 667 N ILE A 41 -4.511 11.589 -0.525 1.00 3.33 N ATOM 668 CA ILE A 41 -5.657 12.290 -1.089 1.00 51.42 C ATOM 669 C ILE A 41 -6.141 11.613 -2.367 1.00 34.24 C ATOM 670 O ILE A 41 -5.641 11.868 -3.462 1.00 54.13 O ATOM 671 CB ILE A 41 -5.321 13.762 -1.397 1.00 74.54 C ATOM 672 CG1 ILE A 41 -4.700 14.433 -0.171 1.00 54.41 C ATOM 673 CG2 ILE A 41 -6.570 14.508 -1.842 1.00 35.05 C ATOM 674 CD1 ILE A 41 -3.265 14.864 -0.380 1.00 33.55 C ATOM 0 H ILE A 41 -3.731 11.467 -1.171 1.00 3.33 H new ATOM 0 HA ILE A 41 -6.448 12.255 -0.340 1.00 51.42 H new ATOM 0 HB ILE A 41 -4.595 13.792 -2.210 1.00 74.54 H new ATOM 0 HG12 ILE A 41 -5.297 15.304 0.098 1.00 54.41 H new ATOM 0 HG13 ILE A 41 -4.745 13.744 0.672 1.00 54.41 H new ATOM 0 HG21 ILE A 41 -6.317 15.546 -2.056 1.00 35.05 H new ATOM 0 HG22 ILE A 41 -6.973 14.040 -2.740 1.00 35.05 H new ATOM 0 HG23 ILE A 41 -7.317 14.473 -1.049 1.00 35.05 H new ATOM 0 HD11 ILE A 41 -2.889 15.332 0.530 1.00 33.55 H new ATOM 0 HD12 ILE A 41 -2.655 13.993 -0.619 1.00 33.55 H new ATOM 0 HD13 ILE A 41 -3.216 15.578 -1.202 1.00 33.55 H new ATOM 686 N PRO A 42 -7.140 10.729 -2.225 1.00 72.32 N ATOM 687 CA PRO A 42 -7.716 9.998 -3.358 1.00 34.54 C ATOM 688 C PRO A 42 -8.519 10.904 -4.285 1.00 22.21 C ATOM 689 O PRO A 42 -9.573 11.414 -3.909 1.00 35.35 O ATOM 690 CB PRO A 42 -8.633 8.971 -2.688 1.00 15.44 C ATOM 691 CG PRO A 42 -8.987 9.580 -1.375 1.00 34.13 C ATOM 692 CD PRO A 42 -7.784 10.375 -0.949 1.00 53.21 C ATOM 0 HA PRO A 42 -6.947 9.555 -3.990 1.00 34.54 H new ATOM 0 HB2 PRO A 42 -9.522 8.782 -3.290 1.00 15.44 H new ATOM 0 HB3 PRO A 42 -8.127 8.014 -2.557 1.00 15.44 H new ATOM 0 HG2 PRO A 42 -9.865 10.219 -1.466 1.00 34.13 H new ATOM 0 HG3 PRO A 42 -9.227 8.811 -0.640 1.00 34.13 H new ATOM 0 HD2 PRO A 42 -8.068 11.262 -0.383 1.00 53.21 H new ATOM 0 HD3 PRO A 42 -7.120 9.790 -0.313 1.00 53.21 H new ATOM 700 N GLU A 43 -8.012 11.099 -5.498 1.00 41.33 N ATOM 701 CA GLU A 43 -8.683 11.945 -6.479 1.00 21.05 C ATOM 702 C GLU A 43 -8.756 11.252 -7.836 1.00 62.20 C ATOM 703 O GLU A 43 -7.812 10.579 -8.253 1.00 10.53 O ATOM 704 CB GLU A 43 -7.953 13.283 -6.615 1.00 72.13 C ATOM 705 CG GLU A 43 -8.855 14.427 -7.047 1.00 33.12 C ATOM 706 CD GLU A 43 -8.254 15.787 -6.752 1.00 44.34 C ATOM 707 OE1 GLU A 43 -7.611 15.936 -5.692 1.00 62.43 O ATOM 708 OE2 GLU A 43 -8.426 16.704 -7.583 1.00 64.34 O ATOM 0 H GLU A 43 -7.140 10.683 -5.825 1.00 41.33 H new ATOM 0 HA GLU A 43 -9.699 12.128 -6.129 1.00 21.05 H new ATOM 0 HB2 GLU A 43 -7.493 13.535 -5.660 1.00 72.13 H new ATOM 0 HB3 GLU A 43 -7.145 13.175 -7.339 1.00 72.13 H new ATOM 0 HG2 GLU A 43 -9.052 14.345 -8.116 1.00 33.12 H new ATOM 0 HG3 GLU A 43 -9.815 14.340 -6.538 1.00 33.12 H new ATOM 715 N ILE A 44 -9.882 11.420 -8.520 1.00 14.30 N ATOM 716 CA ILE A 44 -10.078 10.812 -9.830 1.00 35.21 C ATOM 717 C ILE A 44 -10.966 11.682 -10.713 1.00 42.31 C ATOM 718 O ILE A 44 -12.121 11.946 -10.382 1.00 40.24 O ATOM 719 CB ILE A 44 -10.708 9.411 -9.711 1.00 43.15 C ATOM 720 CG1 ILE A 44 -9.756 8.461 -8.982 1.00 61.42 C ATOM 721 CG2 ILE A 44 -11.054 8.868 -11.090 1.00 33.13 C ATOM 722 CD1 ILE A 44 -9.945 8.450 -7.481 1.00 43.34 C ATOM 0 H ILE A 44 -10.673 11.972 -8.189 1.00 14.30 H new ATOM 0 HA ILE A 44 -9.092 10.722 -10.287 1.00 35.21 H new ATOM 0 HB ILE A 44 -11.628 9.489 -9.131 1.00 43.15 H new ATOM 0 HG12 ILE A 44 -9.900 7.451 -9.366 1.00 61.42 H new ATOM 0 HG13 ILE A 44 -8.728 8.745 -9.209 1.00 61.42 H new ATOM 0 HG21 ILE A 44 -11.498 7.878 -10.990 1.00 33.13 H new ATOM 0 HG22 ILE A 44 -11.764 9.537 -11.577 1.00 33.13 H new ATOM 0 HG23 ILE A 44 -10.148 8.800 -11.692 1.00 33.13 H new ATOM 0 HD11 ILE A 44 -9.237 7.755 -7.030 1.00 43.34 H new ATOM 0 HD12 ILE A 44 -9.773 9.451 -7.085 1.00 43.34 H new ATOM 0 HD13 ILE A 44 -10.962 8.137 -7.245 1.00 43.34 H new ATOM 734 N GLY A 45 -10.417 12.125 -11.841 1.00 33.22 N ATOM 735 CA GLY A 45 -11.174 12.960 -12.756 1.00 25.42 C ATOM 736 C GLY A 45 -10.893 14.436 -12.559 1.00 55.34 C ATOM 737 O GLY A 45 -10.096 15.026 -13.287 1.00 62.32 O ATOM 0 H GLY A 45 -9.463 11.921 -12.137 1.00 33.22 H new ATOM 0 HA2 GLY A 45 -10.933 12.681 -13.782 1.00 25.42 H new ATOM 0 HA3 GLY A 45 -12.239 12.774 -12.617 1.00 25.42 H new ATOM 741 N ASN A 46 -11.553 15.036 -11.574 1.00 0.15 N ATOM 742 CA ASN A 46 -11.372 16.454 -11.285 1.00 54.31 C ATOM 743 C ASN A 46 -12.242 16.885 -10.108 1.00 22.13 C ATOM 744 O ASN A 46 -12.879 17.938 -10.146 1.00 31.42 O ATOM 745 CB ASN A 46 -11.712 17.294 -12.518 1.00 42.12 C ATOM 746 CG ASN A 46 -12.931 16.774 -13.254 1.00 72.44 C ATOM 747 OD1 ASN A 46 -13.873 16.271 -12.641 1.00 22.01 O ATOM 748 ND2 ASN A 46 -12.919 16.892 -14.577 1.00 62.10 N ATOM 0 H ASN A 46 -12.218 14.563 -10.962 1.00 0.15 H new ATOM 0 HA ASN A 46 -10.327 16.615 -11.020 1.00 54.31 H new ATOM 0 HB2 ASN A 46 -11.887 18.326 -12.214 1.00 42.12 H new ATOM 0 HB3 ASN A 46 -10.858 17.302 -13.195 1.00 42.12 H new ATOM 0 HD21 ASN A 46 -13.712 16.559 -15.126 1.00 62.10 H new ATOM 0 HD22 ASN A 46 -12.117 17.316 -15.044 1.00 62.10 H new ATOM 755 N ARG A 47 -12.262 16.064 -9.063 1.00 0.03 N ATOM 756 CA ARG A 47 -13.053 16.359 -7.874 1.00 51.43 C ATOM 757 C ARG A 47 -14.543 16.380 -8.204 1.00 42.43 C ATOM 758 O ARG A 47 -15.035 17.309 -8.845 1.00 40.50 O ATOM 759 CB ARG A 47 -12.633 17.704 -7.277 1.00 71.31 C ATOM 760 CG ARG A 47 -11.132 17.940 -7.305 1.00 21.15 C ATOM 761 CD ARG A 47 -10.734 19.097 -6.402 1.00 44.43 C ATOM 762 NE ARG A 47 -10.445 20.310 -7.163 1.00 40.20 N ATOM 763 CZ ARG A 47 -11.376 21.177 -7.545 1.00 72.24 C ATOM 764 NH1 ARG A 47 -12.649 20.966 -7.239 1.00 62.31 N ATOM 765 NH2 ARG A 47 -11.035 22.258 -8.235 1.00 70.22 N ATOM 0 H ARG A 47 -11.739 15.189 -9.016 1.00 0.03 H new ATOM 0 HA ARG A 47 -12.871 15.572 -7.142 1.00 51.43 H new ATOM 0 HB2 ARG A 47 -13.129 18.506 -7.824 1.00 71.31 H new ATOM 0 HB3 ARG A 47 -12.982 17.759 -6.246 1.00 71.31 H new ATOM 0 HG2 ARG A 47 -10.614 17.035 -6.988 1.00 21.15 H new ATOM 0 HG3 ARG A 47 -10.814 18.148 -8.327 1.00 21.15 H new ATOM 0 HD2 ARG A 47 -11.537 19.297 -5.693 1.00 44.43 H new ATOM 0 HD3 ARG A 47 -9.857 18.817 -5.819 1.00 44.43 H new ATOM 0 HE ARG A 47 -9.475 20.502 -7.415 1.00 40.20 H new ATOM 0 HH11 ARG A 47 -12.915 20.136 -6.709 1.00 62.31 H new ATOM 0 HH12 ARG A 47 -13.362 21.634 -7.534 1.00 62.31 H new ATOM 0 HH21 ARG A 47 -10.057 22.424 -8.473 1.00 70.22 H new ATOM 0 HH22 ARG A 47 -11.751 22.923 -8.528 1.00 70.22 H new ATOM 779 N LYS A 48 -15.256 15.350 -7.763 1.00 21.21 N ATOM 780 CA LYS A 48 -16.689 15.249 -8.010 1.00 33.12 C ATOM 781 C LYS A 48 -17.402 14.609 -6.823 1.00 31.32 C ATOM 782 O LYS A 48 -18.561 14.207 -6.927 1.00 33.55 O ATOM 783 CB LYS A 48 -16.953 14.433 -9.277 1.00 72.13 C ATOM 784 CG LYS A 48 -16.050 14.806 -10.440 1.00 22.01 C ATOM 785 CD LYS A 48 -16.669 14.421 -11.773 1.00 60.11 C ATOM 786 CE LYS A 48 -15.694 13.631 -12.633 1.00 12.20 C ATOM 787 NZ LYS A 48 -15.870 13.924 -14.082 1.00 75.55 N ATOM 0 H LYS A 48 -14.864 14.572 -7.232 1.00 21.21 H new ATOM 0 HA LYS A 48 -17.080 16.257 -8.146 1.00 33.12 H new ATOM 0 HB2 LYS A 48 -16.822 13.375 -9.051 1.00 72.13 H new ATOM 0 HB3 LYS A 48 -17.992 14.569 -9.577 1.00 72.13 H new ATOM 0 HG2 LYS A 48 -15.858 15.879 -10.423 1.00 22.01 H new ATOM 0 HG3 LYS A 48 -15.087 14.308 -10.328 1.00 22.01 H new ATOM 0 HD2 LYS A 48 -17.567 13.828 -11.601 1.00 60.11 H new ATOM 0 HD3 LYS A 48 -16.979 15.321 -12.305 1.00 60.11 H new ATOM 0 HE2 LYS A 48 -14.673 13.869 -12.336 1.00 12.20 H new ATOM 0 HE3 LYS A 48 -15.837 12.565 -12.458 1.00 12.20 H new ATOM 0 HZ1 LYS A 48 -15.008 13.654 -14.598 1.00 75.55 H new ATOM 0 HZ2 LYS A 48 -16.678 13.383 -14.450 1.00 75.55 H new ATOM 0 HZ3 LYS A 48 -16.046 14.941 -14.212 1.00 75.55 H new ATOM 801 N ILE A 49 -16.703 14.519 -5.697 1.00 24.03 N ATOM 802 CA ILE A 49 -17.270 13.930 -4.490 1.00 53.22 C ATOM 803 C ILE A 49 -18.049 14.966 -3.687 1.00 1.41 C ATOM 804 O ILE A 49 -18.682 14.641 -2.683 1.00 43.14 O ATOM 805 CB ILE A 49 -16.177 13.318 -3.594 1.00 53.15 C ATOM 806 CG1 ILE A 49 -15.194 12.504 -4.437 1.00 64.42 C ATOM 807 CG2 ILE A 49 -16.803 12.449 -2.514 1.00 13.22 C ATOM 808 CD1 ILE A 49 -13.914 13.244 -4.756 1.00 40.34 C ATOM 0 H ILE A 49 -15.742 14.847 -5.595 1.00 24.03 H new ATOM 0 HA ILE A 49 -17.947 13.139 -4.813 1.00 53.22 H new ATOM 0 HB ILE A 49 -15.629 14.126 -3.110 1.00 53.15 H new ATOM 0 HG12 ILE A 49 -14.949 11.583 -3.907 1.00 64.42 H new ATOM 0 HG13 ILE A 49 -15.680 12.216 -5.369 1.00 64.42 H new ATOM 0 HG21 ILE A 49 -16.018 12.024 -1.889 1.00 13.22 H new ATOM 0 HG22 ILE A 49 -17.468 13.055 -1.899 1.00 13.22 H new ATOM 0 HG23 ILE A 49 -17.372 11.644 -2.979 1.00 13.22 H new ATOM 0 HD11 ILE A 49 -13.265 12.606 -5.356 1.00 40.34 H new ATOM 0 HD12 ILE A 49 -14.147 14.151 -5.313 1.00 40.34 H new ATOM 0 HD13 ILE A 49 -13.406 13.509 -3.829 1.00 40.34 H new ATOM 820 N ASN A 50 -17.999 16.216 -4.137 1.00 63.00 N ATOM 821 CA ASN A 50 -18.701 17.301 -3.461 1.00 24.23 C ATOM 822 C ASN A 50 -20.200 17.231 -3.732 1.00 34.32 C ATOM 823 O ASN A 50 -20.633 16.713 -4.762 1.00 63.33 O ATOM 824 CB ASN A 50 -18.151 18.654 -3.917 1.00 13.03 C ATOM 825 CG ASN A 50 -18.762 19.813 -3.153 1.00 2.04 C ATOM 826 OD1 ASN A 50 -18.837 19.790 -1.924 1.00 42.30 O ATOM 827 ND2 ASN A 50 -19.202 20.834 -3.879 1.00 31.10 N ATOM 0 H ASN A 50 -17.480 16.502 -4.967 1.00 63.00 H new ATOM 0 HA ASN A 50 -18.539 17.193 -2.389 1.00 24.23 H new ATOM 0 HB2 ASN A 50 -17.069 18.666 -3.786 1.00 13.03 H new ATOM 0 HB3 ASN A 50 -18.345 18.782 -4.982 1.00 13.03 H new ATOM 0 HD21 ASN A 50 -19.623 21.642 -3.420 1.00 31.10 H new ATOM 0 HD22 ASN A 50 -19.119 20.810 -4.895 1.00 31.10 H new ATOM 834 N LEU A 51 -20.989 17.756 -2.801 1.00 33.21 N ATOM 835 CA LEU A 51 -22.442 17.754 -2.939 1.00 24.01 C ATOM 836 C LEU A 51 -22.887 18.735 -4.019 1.00 32.23 C ATOM 837 O LEU A 51 -23.986 18.620 -4.561 1.00 73.34 O ATOM 838 CB LEU A 51 -23.101 18.112 -1.606 1.00 23.44 C ATOM 839 CG LEU A 51 -24.599 18.411 -1.657 1.00 33.24 C ATOM 840 CD1 LEU A 51 -25.286 17.916 -0.393 1.00 3.41 C ATOM 841 CD2 LEU A 51 -24.839 19.901 -1.848 1.00 14.31 C ATOM 0 H LEU A 51 -20.648 18.188 -1.943 1.00 33.21 H new ATOM 0 HA LEU A 51 -22.753 16.752 -3.233 1.00 24.01 H new ATOM 0 HB2 LEU A 51 -22.939 17.288 -0.911 1.00 23.44 H new ATOM 0 HB3 LEU A 51 -22.591 18.983 -1.194 1.00 23.44 H new ATOM 0 HG LEU A 51 -25.027 17.882 -2.509 1.00 33.24 H new ATOM 0 HD11 LEU A 51 -26.352 18.138 -0.448 1.00 3.41 H new ATOM 0 HD12 LEU A 51 -25.144 16.839 -0.299 1.00 3.41 H new ATOM 0 HD13 LEU A 51 -24.855 18.416 0.475 1.00 3.41 H new ATOM 0 HD21 LEU A 51 -25.911 20.095 -1.882 1.00 14.31 H new ATOM 0 HD22 LEU A 51 -24.397 20.450 -1.017 1.00 14.31 H new ATOM 0 HD23 LEU A 51 -24.381 20.226 -2.782 1.00 14.31 H new ATOM 853 N PHE A 52 -22.026 19.699 -4.327 1.00 62.53 N ATOM 854 CA PHE A 52 -22.330 20.699 -5.344 1.00 1.14 C ATOM 855 C PHE A 52 -21.728 20.307 -6.690 1.00 2.41 C ATOM 856 O PHE A 52 -22.306 20.577 -7.743 1.00 31.11 O ATOM 857 CB PHE A 52 -21.801 22.069 -4.915 1.00 1.41 C ATOM 858 CG PHE A 52 -22.585 23.219 -5.481 1.00 35.54 C ATOM 859 CD1 PHE A 52 -22.316 23.699 -6.752 1.00 1.52 C ATOM 860 CD2 PHE A 52 -23.593 23.817 -4.741 1.00 43.44 C ATOM 861 CE1 PHE A 52 -23.036 24.757 -7.274 1.00 42.32 C ATOM 862 CE2 PHE A 52 -24.316 24.875 -5.259 1.00 14.42 C ATOM 863 CZ PHE A 52 -24.038 25.345 -6.527 1.00 50.13 C ATOM 0 H PHE A 52 -21.112 19.809 -3.887 1.00 62.53 H new ATOM 0 HA PHE A 52 -23.413 20.753 -5.453 1.00 1.14 H new ATOM 0 HB2 PHE A 52 -21.815 22.131 -3.827 1.00 1.41 H new ATOM 0 HB3 PHE A 52 -20.760 22.161 -5.226 1.00 1.41 H new ATOM 0 HD1 PHE A 52 -21.535 23.242 -7.342 1.00 1.52 H new ATOM 0 HD2 PHE A 52 -23.816 23.452 -3.749 1.00 43.44 H new ATOM 0 HE1 PHE A 52 -22.815 25.124 -8.266 1.00 42.32 H new ATOM 0 HE2 PHE A 52 -25.098 25.334 -4.672 1.00 14.42 H new ATOM 0 HZ PHE A 52 -24.603 26.171 -6.934 1.00 50.13 H new ATOM 873 N TYR A 53 -20.563 19.671 -6.647 1.00 62.41 N ATOM 874 CA TYR A 53 -19.880 19.244 -7.863 1.00 1.13 C ATOM 875 C TYR A 53 -20.596 18.058 -8.502 1.00 42.54 C ATOM 876 O TYR A 53 -20.856 18.051 -9.706 1.00 54.13 O ATOM 877 CB TYR A 53 -18.429 18.872 -7.554 1.00 21.45 C ATOM 878 CG TYR A 53 -17.511 18.964 -8.752 1.00 15.22 C ATOM 879 CD1 TYR A 53 -17.699 18.146 -9.859 1.00 44.13 C ATOM 880 CD2 TYR A 53 -16.457 19.869 -8.776 1.00 72.34 C ATOM 881 CE1 TYR A 53 -16.863 18.227 -10.956 1.00 64.52 C ATOM 882 CE2 TYR A 53 -15.617 19.957 -9.869 1.00 52.15 C ATOM 883 CZ TYR A 53 -15.824 19.134 -10.957 1.00 23.13 C ATOM 884 OH TYR A 53 -14.988 19.218 -12.047 1.00 33.21 O ATOM 0 H TYR A 53 -20.072 19.440 -5.784 1.00 62.41 H new ATOM 0 HA TYR A 53 -19.893 20.075 -8.568 1.00 1.13 H new ATOM 0 HB2 TYR A 53 -18.054 19.528 -6.769 1.00 21.45 H new ATOM 0 HB3 TYR A 53 -18.399 17.856 -7.161 1.00 21.45 H new ATOM 0 HD1 TYR A 53 -18.512 17.435 -9.862 1.00 44.13 H new ATOM 0 HD2 TYR A 53 -16.292 20.514 -7.926 1.00 72.34 H new ATOM 0 HE1 TYR A 53 -17.022 17.583 -11.808 1.00 64.52 H new ATOM 0 HE2 TYR A 53 -14.803 20.666 -9.872 1.00 52.15 H new ATOM 0 HH TYR A 53 -14.093 18.907 -11.797 1.00 33.21 H new ATOM 894 N LEU A 54 -20.912 17.058 -7.688 1.00 61.53 N ATOM 895 CA LEU A 54 -21.599 15.865 -8.173 1.00 1.24 C ATOM 896 C LEU A 54 -22.977 16.217 -8.725 1.00 3.04 C ATOM 897 O LEU A 54 -23.467 15.575 -9.654 1.00 21.24 O ATOM 898 CB LEU A 54 -21.735 14.838 -7.047 1.00 1.30 C ATOM 899 CG LEU A 54 -22.169 13.434 -7.468 1.00 61.04 C ATOM 900 CD1 LEU A 54 -20.963 12.514 -7.579 1.00 74.53 C ATOM 901 CD2 LEU A 54 -23.183 12.871 -6.483 1.00 51.14 C ATOM 0 H LEU A 54 -20.704 17.048 -6.689 1.00 61.53 H new ATOM 0 HA LEU A 54 -21.004 15.435 -8.979 1.00 1.24 H new ATOM 0 HB2 LEU A 54 -20.776 14.762 -6.534 1.00 1.30 H new ATOM 0 HB3 LEU A 54 -22.455 15.217 -6.322 1.00 1.30 H new ATOM 0 HG LEU A 54 -22.642 13.499 -8.448 1.00 61.04 H new ATOM 0 HD11 LEU A 54 -21.291 11.519 -7.880 1.00 74.53 H new ATOM 0 HD12 LEU A 54 -20.272 12.909 -8.324 1.00 74.53 H new ATOM 0 HD13 LEU A 54 -20.461 12.454 -6.613 1.00 74.53 H new ATOM 0 HD21 LEU A 54 -23.481 11.871 -6.799 1.00 51.14 H new ATOM 0 HD22 LEU A 54 -22.736 12.820 -5.490 1.00 51.14 H new ATOM 0 HD23 LEU A 54 -24.060 13.518 -6.454 1.00 51.14 H new ATOM 913 N TYR A 55 -23.595 17.242 -8.148 1.00 70.41 N ATOM 914 CA TYR A 55 -24.916 17.679 -8.582 1.00 55.11 C ATOM 915 C TYR A 55 -24.831 18.449 -9.896 1.00 40.42 C ATOM 916 O TYR A 55 -25.588 18.189 -10.831 1.00 43.42 O ATOM 917 CB TYR A 55 -25.566 18.552 -7.507 1.00 50.54 C ATOM 918 CG TYR A 55 -27.025 18.851 -7.770 1.00 42.20 C ATOM 919 CD1 TYR A 55 -27.921 17.831 -8.065 1.00 11.41 C ATOM 920 CD2 TYR A 55 -27.507 20.154 -7.722 1.00 61.53 C ATOM 921 CE1 TYR A 55 -29.254 18.100 -8.306 1.00 75.02 C ATOM 922 CE2 TYR A 55 -28.839 20.431 -7.961 1.00 10.32 C ATOM 923 CZ TYR A 55 -29.709 19.401 -8.253 1.00 4.32 C ATOM 924 OH TYR A 55 -31.036 19.673 -8.491 1.00 74.22 O ATOM 0 H TYR A 55 -23.202 17.785 -7.379 1.00 70.41 H new ATOM 0 HA TYR A 55 -25.530 16.792 -8.741 1.00 55.11 H new ATOM 0 HB2 TYR A 55 -25.474 18.054 -6.542 1.00 50.54 H new ATOM 0 HB3 TYR A 55 -25.019 19.492 -7.434 1.00 50.54 H new ATOM 0 HD1 TYR A 55 -27.569 16.811 -8.107 1.00 11.41 H new ATOM 0 HD2 TYR A 55 -26.829 20.963 -7.494 1.00 61.53 H new ATOM 0 HE1 TYR A 55 -29.937 17.295 -8.535 1.00 75.02 H new ATOM 0 HE2 TYR A 55 -29.198 21.449 -7.919 1.00 10.32 H new ATOM 0 HH TYR A 55 -31.191 20.638 -8.414 1.00 74.22 H new ATOM 934 N MET A 56 -23.903 19.399 -9.959 1.00 22.52 N ATOM 935 CA MET A 56 -23.716 20.206 -11.159 1.00 0.35 C ATOM 936 C MET A 56 -23.379 19.327 -12.359 1.00 11.23 C ATOM 937 O MET A 56 -23.875 19.551 -13.464 1.00 3.41 O ATOM 938 CB MET A 56 -22.606 21.236 -10.938 1.00 71.02 C ATOM 939 CG MET A 56 -22.525 22.286 -12.034 1.00 70.04 C ATOM 940 SD MET A 56 -20.827 22.667 -12.507 1.00 72.55 S ATOM 941 CE MET A 56 -21.037 24.283 -13.250 1.00 61.23 C ATOM 0 H MET A 56 -23.269 19.628 -9.193 1.00 22.52 H new ATOM 0 HA MET A 56 -24.651 20.728 -11.365 1.00 0.35 H new ATOM 0 HB2 MET A 56 -22.768 21.733 -9.981 1.00 71.02 H new ATOM 0 HB3 MET A 56 -21.649 20.718 -10.871 1.00 71.02 H new ATOM 0 HG2 MET A 56 -23.072 21.935 -12.909 1.00 70.04 H new ATOM 0 HG3 MET A 56 -23.017 23.198 -11.695 1.00 70.04 H new ATOM 0 HE1 MET A 56 -20.071 24.654 -13.593 1.00 61.23 H new ATOM 0 HE2 MET A 56 -21.719 24.208 -14.097 1.00 61.23 H new ATOM 0 HE3 MET A 56 -21.449 24.972 -12.512 1.00 61.23 H new ATOM 951 N LEU A 57 -22.534 18.327 -12.135 1.00 41.01 N ATOM 952 CA LEU A 57 -22.131 17.414 -13.199 1.00 25.12 C ATOM 953 C LEU A 57 -23.338 16.682 -13.775 1.00 31.40 C ATOM 954 O LEU A 57 -23.517 16.619 -14.991 1.00 70.54 O ATOM 955 CB LEU A 57 -21.111 16.403 -12.671 1.00 0.12 C ATOM 956 CG LEU A 57 -20.509 15.453 -13.707 1.00 11.21 C ATOM 957 CD1 LEU A 57 -19.208 16.017 -14.255 1.00 44.15 C ATOM 958 CD2 LEU A 57 -20.282 14.076 -13.100 1.00 0.42 C ATOM 0 H LEU A 57 -22.115 18.128 -11.227 1.00 41.01 H new ATOM 0 HA LEU A 57 -21.673 18.002 -13.994 1.00 25.12 H new ATOM 0 HB2 LEU A 57 -20.298 16.952 -12.195 1.00 0.12 H new ATOM 0 HB3 LEU A 57 -21.590 15.806 -11.895 1.00 0.12 H new ATOM 0 HG LEU A 57 -21.214 15.352 -14.532 1.00 11.21 H new ATOM 0 HD11 LEU A 57 -18.794 15.328 -14.991 1.00 44.15 H new ATOM 0 HD12 LEU A 57 -19.400 16.980 -14.728 1.00 44.15 H new ATOM 0 HD13 LEU A 57 -18.496 16.148 -13.440 1.00 44.15 H new ATOM 0 HD21 LEU A 57 -19.853 13.413 -13.852 1.00 0.42 H new ATOM 0 HD22 LEU A 57 -19.597 14.159 -12.256 1.00 0.42 H new ATOM 0 HD23 LEU A 57 -21.233 13.668 -12.757 1.00 0.42 H new ATOM 970 N VAL A 58 -24.166 16.131 -12.893 1.00 30.32 N ATOM 971 CA VAL A 58 -25.359 15.406 -13.313 1.00 71.42 C ATOM 972 C VAL A 58 -26.296 16.305 -14.111 1.00 14.32 C ATOM 973 O VAL A 58 -26.749 15.939 -15.195 1.00 53.40 O ATOM 974 CB VAL A 58 -26.122 14.831 -12.105 1.00 3.24 C ATOM 975 CG1 VAL A 58 -27.358 14.073 -12.564 1.00 43.02 C ATOM 976 CG2 VAL A 58 -25.212 13.934 -11.279 1.00 13.13 C ATOM 0 H VAL A 58 -24.032 16.173 -11.883 1.00 30.32 H new ATOM 0 HA VAL A 58 -25.023 14.584 -13.945 1.00 71.42 H new ATOM 0 HB VAL A 58 -26.447 15.659 -11.475 1.00 3.24 H new ATOM 0 HG11 VAL A 58 -27.883 13.674 -11.696 1.00 43.02 H new ATOM 0 HG12 VAL A 58 -28.018 14.748 -13.109 1.00 43.02 H new ATOM 0 HG13 VAL A 58 -27.060 13.252 -13.216 1.00 43.02 H new ATOM 0 HG21 VAL A 58 -25.767 13.536 -10.429 1.00 13.13 H new ATOM 0 HG22 VAL A 58 -24.855 13.110 -11.897 1.00 13.13 H new ATOM 0 HG23 VAL A 58 -24.361 14.512 -10.918 1.00 13.13 H new ATOM 986 N GLN A 59 -26.582 17.484 -13.566 1.00 74.54 N ATOM 987 CA GLN A 59 -27.466 18.436 -14.228 1.00 35.21 C ATOM 988 C GLN A 59 -26.919 18.827 -15.596 1.00 44.24 C ATOM 989 O GLN A 59 -27.677 19.051 -16.540 1.00 71.52 O ATOM 990 CB GLN A 59 -27.647 19.684 -13.362 1.00 24.54 C ATOM 991 CG GLN A 59 -28.767 20.596 -13.834 1.00 60.23 C ATOM 992 CD GLN A 59 -30.097 20.273 -13.182 1.00 41.10 C ATOM 993 OE1 GLN A 59 -30.416 20.786 -12.109 1.00 22.21 O ATOM 994 NE2 GLN A 59 -30.882 19.419 -13.828 1.00 63.14 N ATOM 0 H GLN A 59 -26.215 17.802 -12.669 1.00 74.54 H new ATOM 0 HA GLN A 59 -28.435 17.956 -14.368 1.00 35.21 H new ATOM 0 HB2 GLN A 59 -27.848 19.377 -12.335 1.00 24.54 H new ATOM 0 HB3 GLN A 59 -26.713 20.246 -13.350 1.00 24.54 H new ATOM 0 HG2 GLN A 59 -28.503 21.631 -13.618 1.00 60.23 H new ATOM 0 HG3 GLN A 59 -28.867 20.512 -14.916 1.00 60.23 H new ATOM 0 HE21 GLN A 59 -30.578 19.018 -14.715 1.00 63.14 H new ATOM 0 HE22 GLN A 59 -31.789 19.164 -13.437 1.00 63.14 H new ATOM 1003 N LYS A 60 -25.596 18.909 -15.697 1.00 53.24 N ATOM 1004 CA LYS A 60 -24.945 19.273 -16.950 1.00 73.14 C ATOM 1005 C LYS A 60 -25.072 18.150 -17.975 1.00 42.21 C ATOM 1006 O LYS A 60 -25.212 18.402 -19.172 1.00 61.32 O ATOM 1007 CB LYS A 60 -23.468 19.592 -16.708 1.00 14.13 C ATOM 1008 CG LYS A 60 -22.932 20.702 -17.595 1.00 52.02 C ATOM 1009 CD LYS A 60 -22.487 20.169 -18.947 1.00 13.21 C ATOM 1010 CE LYS A 60 -21.340 20.988 -19.518 1.00 63.33 C ATOM 1011 NZ LYS A 60 -20.607 20.248 -20.583 1.00 52.12 N ATOM 0 H LYS A 60 -24.954 18.728 -14.926 1.00 53.24 H new ATOM 0 HA LYS A 60 -25.442 20.160 -17.344 1.00 73.14 H new ATOM 0 HB2 LYS A 60 -23.332 19.875 -15.664 1.00 14.13 H new ATOM 0 HB3 LYS A 60 -22.878 18.690 -16.873 1.00 14.13 H new ATOM 0 HG2 LYS A 60 -23.703 21.460 -17.737 1.00 52.02 H new ATOM 0 HG3 LYS A 60 -22.092 21.190 -17.101 1.00 52.02 H new ATOM 0 HD2 LYS A 60 -22.178 19.129 -18.845 1.00 13.21 H new ATOM 0 HD3 LYS A 60 -23.328 20.185 -19.640 1.00 13.21 H new ATOM 0 HE2 LYS A 60 -21.728 21.922 -19.926 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -20.649 21.252 -18.718 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -19.833 20.840 -20.947 1.00 52.12 H new ATOM 0 HZ2 LYS A 60 -20.215 19.369 -20.188 1.00 52.12 H new ATOM 0 HZ3 LYS A 60 -21.261 20.018 -21.358 1.00 52.12 H new ATOM 1025 N PHE A 61 -25.023 16.911 -17.498 1.00 11.05 N ATOM 1026 CA PHE A 61 -25.133 15.750 -18.373 1.00 21.45 C ATOM 1027 C PHE A 61 -26.578 15.535 -18.812 1.00 71.35 C ATOM 1028 O PHE A 61 -26.858 14.707 -19.679 1.00 14.24 O ATOM 1029 CB PHE A 61 -24.613 14.498 -17.662 1.00 2.30 C ATOM 1030 CG PHE A 61 -23.473 13.832 -18.379 1.00 33.04 C ATOM 1031 CD1 PHE A 61 -22.190 14.347 -18.296 1.00 43.12 C ATOM 1032 CD2 PHE A 61 -23.686 12.691 -19.135 1.00 61.21 C ATOM 1033 CE1 PHE A 61 -21.139 13.736 -18.954 1.00 43.21 C ATOM 1034 CE2 PHE A 61 -22.639 12.075 -19.795 1.00 1.42 C ATOM 1035 CZ PHE A 61 -21.364 12.599 -19.705 1.00 40.32 C ATOM 0 H PHE A 61 -24.908 16.685 -16.510 1.00 11.05 H new ATOM 0 HA PHE A 61 -24.526 15.935 -19.259 1.00 21.45 H new ATOM 0 HB2 PHE A 61 -24.291 14.768 -16.656 1.00 2.30 H new ATOM 0 HB3 PHE A 61 -25.430 13.785 -17.554 1.00 2.30 H new ATOM 0 HD1 PHE A 61 -22.009 15.236 -17.710 1.00 43.12 H new ATOM 0 HD2 PHE A 61 -24.681 12.278 -19.210 1.00 61.21 H new ATOM 0 HE1 PHE A 61 -20.143 14.147 -18.881 1.00 43.21 H new ATOM 0 HE2 PHE A 61 -22.818 11.185 -20.380 1.00 1.42 H new ATOM 0 HZ PHE A 61 -20.545 12.120 -20.221 1.00 40.32 H new ATOM 1045 N GLY A 62 -27.493 16.287 -18.208 1.00 23.14 N ATOM 1046 CA GLY A 62 -28.898 16.164 -18.549 1.00 21.12 C ATOM 1047 C GLY A 62 -29.668 15.331 -17.543 1.00 50.41 C ATOM 1048 O GLY A 62 -30.746 14.820 -17.845 1.00 45.31 O ATOM 0 H GLY A 62 -27.286 16.980 -17.488 1.00 23.14 H new ATOM 0 HA2 GLY A 62 -29.342 17.157 -18.609 1.00 21.12 H new ATOM 0 HA3 GLY A 62 -28.991 15.713 -19.537 1.00 21.12 H new ATOM 1052 N GLY A 63 -29.113 15.193 -16.343 1.00 11.13 N ATOM 1053 CA GLY A 63 -29.768 14.414 -15.308 1.00 2.10 C ATOM 1054 C GLY A 63 -29.374 12.951 -15.347 1.00 23.01 C ATOM 1055 O GLY A 63 -28.942 12.445 -16.382 1.00 42.02 O ATOM 0 H GLY A 63 -28.222 15.607 -16.069 1.00 11.13 H new ATOM 0 HA2 GLY A 63 -29.517 14.829 -14.332 1.00 2.10 H new ATOM 0 HA3 GLY A 63 -30.849 14.499 -15.422 1.00 2.10 H new ATOM 1059 N ALA A 64 -29.521 12.270 -14.215 1.00 70.23 N ATOM 1060 CA ALA A 64 -29.178 10.856 -14.124 1.00 45.15 C ATOM 1061 C ALA A 64 -29.840 10.057 -15.242 1.00 3.41 C ATOM 1062 O ALA A 64 -29.289 9.065 -15.719 1.00 31.23 O ATOM 1063 CB ALA A 64 -29.581 10.301 -12.766 1.00 45.42 C ATOM 0 H ALA A 64 -29.875 12.675 -13.348 1.00 70.23 H new ATOM 0 HA ALA A 64 -28.098 10.762 -14.236 1.00 45.15 H new ATOM 0 HB1 ALA A 64 -29.319 9.244 -12.712 1.00 45.42 H new ATOM 0 HB2 ALA A 64 -29.057 10.845 -11.980 1.00 45.42 H new ATOM 0 HB3 ALA A 64 -30.657 10.415 -12.631 1.00 45.42 H new ATOM 1069 N ASP A 65 -31.024 10.496 -15.655 1.00 2.03 N ATOM 1070 CA ASP A 65 -31.761 9.822 -16.717 1.00 32.32 C ATOM 1071 C ASP A 65 -30.989 9.873 -18.031 1.00 61.34 C ATOM 1072 O ASP A 65 -31.000 8.916 -18.806 1.00 12.14 O ATOM 1073 CB ASP A 65 -33.139 10.461 -16.895 1.00 71.14 C ATOM 1074 CG ASP A 65 -34.126 10.015 -15.835 1.00 31.05 C ATOM 1075 OD1 ASP A 65 -34.484 8.819 -15.823 1.00 24.32 O ATOM 1076 OD2 ASP A 65 -34.542 10.862 -15.016 1.00 43.44 O ATOM 0 H ASP A 65 -31.494 11.316 -15.270 1.00 2.03 H new ATOM 0 HA ASP A 65 -31.888 8.778 -16.432 1.00 32.32 H new ATOM 0 HB2 ASP A 65 -33.040 11.546 -16.861 1.00 71.14 H new ATOM 0 HB3 ASP A 65 -33.529 10.207 -17.880 1.00 71.14 H new ATOM 1081 N GLN A 66 -30.321 10.995 -18.276 1.00 44.21 N ATOM 1082 CA GLN A 66 -29.545 11.171 -19.498 1.00 63.31 C ATOM 1083 C GLN A 66 -28.319 10.263 -19.500 1.00 32.11 C ATOM 1084 O GLN A 66 -27.939 9.717 -20.536 1.00 55.20 O ATOM 1085 CB GLN A 66 -29.113 12.631 -19.648 1.00 21.52 C ATOM 1086 CG GLN A 66 -28.747 13.014 -21.073 1.00 30.33 C ATOM 1087 CD GLN A 66 -29.422 14.294 -21.524 1.00 62.24 C ATOM 1088 OE1 GLN A 66 -30.585 14.542 -21.206 1.00 31.22 O ATOM 1089 NE2 GLN A 66 -28.694 15.116 -22.271 1.00 25.30 N ATOM 0 H GLN A 66 -30.301 11.796 -17.645 1.00 44.21 H new ATOM 0 HA GLN A 66 -30.178 10.898 -20.342 1.00 63.31 H new ATOM 0 HB2 GLN A 66 -29.920 13.277 -19.303 1.00 21.52 H new ATOM 0 HB3 GLN A 66 -28.257 12.816 -18.999 1.00 21.52 H new ATOM 0 HG2 GLN A 66 -27.666 13.132 -21.147 1.00 30.33 H new ATOM 0 HG3 GLN A 66 -29.026 12.204 -21.746 1.00 30.33 H new ATOM 0 HE21 GLN A 66 -27.733 14.871 -22.511 1.00 25.30 H new ATOM 0 HE22 GLN A 66 -29.095 15.992 -22.605 1.00 25.30 H new ATOM 1098 N VAL A 67 -27.703 10.106 -18.332 1.00 75.33 N ATOM 1099 CA VAL A 67 -26.521 9.263 -18.199 1.00 1.41 C ATOM 1100 C VAL A 67 -26.865 7.794 -18.418 1.00 11.42 C ATOM 1101 O VAL A 67 -26.084 7.042 -19.000 1.00 64.34 O ATOM 1102 CB VAL A 67 -25.870 9.426 -16.813 1.00 23.45 C ATOM 1103 CG1 VAL A 67 -24.530 8.706 -16.764 1.00 54.30 C ATOM 1104 CG2 VAL A 67 -25.706 10.899 -16.471 1.00 23.24 C ATOM 0 H VAL A 67 -28.003 10.552 -17.465 1.00 75.33 H new ATOM 0 HA VAL A 67 -25.815 9.585 -18.964 1.00 1.41 H new ATOM 0 HB VAL A 67 -26.525 8.975 -16.068 1.00 23.45 H new ATOM 0 HG11 VAL A 67 -24.085 8.832 -15.777 1.00 54.30 H new ATOM 0 HG12 VAL A 67 -24.680 7.645 -16.961 1.00 54.30 H new ATOM 0 HG13 VAL A 67 -23.864 9.125 -17.519 1.00 54.30 H new ATOM 0 HG21 VAL A 67 -25.244 10.995 -15.488 1.00 23.24 H new ATOM 0 HG22 VAL A 67 -25.072 11.378 -17.218 1.00 23.24 H new ATOM 0 HG23 VAL A 67 -26.683 11.381 -16.462 1.00 23.24 H new ATOM 1114 N THR A 68 -28.041 7.391 -17.947 1.00 53.22 N ATOM 1115 CA THR A 68 -28.490 6.012 -18.091 1.00 23.14 C ATOM 1116 C THR A 68 -29.131 5.781 -19.454 1.00 50.21 C ATOM 1117 O THR A 68 -29.123 4.665 -19.973 1.00 42.05 O ATOM 1118 CB THR A 68 -29.499 5.632 -16.990 1.00 43.04 C ATOM 1119 OG1 THR A 68 -29.869 4.255 -17.120 1.00 22.25 O ATOM 1120 CG2 THR A 68 -30.741 6.506 -17.071 1.00 33.03 C ATOM 0 H THR A 68 -28.700 8.001 -17.462 1.00 53.22 H new ATOM 0 HA THR A 68 -27.606 5.381 -17.997 1.00 23.14 H new ATOM 0 HB THR A 68 -29.025 5.790 -16.021 1.00 43.04 H new ATOM 0 HG1 THR A 68 -30.509 4.020 -16.416 1.00 22.25 H new ATOM 0 HG21 THR A 68 -31.439 6.220 -16.284 1.00 33.03 H new ATOM 0 HG22 THR A 68 -30.459 7.551 -16.944 1.00 33.03 H new ATOM 0 HG23 THR A 68 -31.216 6.374 -18.043 1.00 33.03 H new ATOM 1128 N ARG A 69 -29.685 6.843 -20.029 1.00 55.24 N ATOM 1129 CA ARG A 69 -30.332 6.755 -21.333 1.00 42.53 C ATOM 1130 C ARG A 69 -29.356 6.249 -22.391 1.00 22.41 C ATOM 1131 O ARG A 69 -29.701 5.401 -23.215 1.00 43.02 O ATOM 1132 CB ARG A 69 -30.883 8.122 -21.746 1.00 33.52 C ATOM 1133 CG ARG A 69 -32.382 8.263 -21.533 1.00 64.12 C ATOM 1134 CD ARG A 69 -33.168 7.595 -22.650 1.00 72.20 C ATOM 1135 NE ARG A 69 -34.119 8.511 -23.274 1.00 42.20 N ATOM 1136 CZ ARG A 69 -34.969 8.150 -24.229 1.00 43.40 C ATOM 1137 NH1 ARG A 69 -34.987 6.899 -24.667 1.00 43.11 N ATOM 1138 NH2 ARG A 69 -35.803 9.042 -24.748 1.00 15.15 N ATOM 0 H ARG A 69 -29.699 7.774 -19.613 1.00 55.24 H new ATOM 0 HA ARG A 69 -31.156 6.046 -21.254 1.00 42.53 H new ATOM 0 HB2 ARG A 69 -30.369 8.898 -21.179 1.00 33.52 H new ATOM 0 HB3 ARG A 69 -30.656 8.293 -22.798 1.00 33.52 H new ATOM 0 HG2 ARG A 69 -32.658 7.819 -20.576 1.00 64.12 H new ATOM 0 HG3 ARG A 69 -32.646 9.319 -21.482 1.00 64.12 H new ATOM 0 HD2 ARG A 69 -32.477 7.220 -23.405 1.00 72.20 H new ATOM 0 HD3 ARG A 69 -33.703 6.733 -22.251 1.00 72.20 H new ATOM 0 HE ARG A 69 -34.131 9.481 -22.959 1.00 42.20 H new ATOM 0 HH11 ARG A 69 -34.347 6.211 -24.271 1.00 43.11 H new ATOM 0 HH12 ARG A 69 -35.641 6.625 -25.400 1.00 43.11 H new ATOM 0 HH21 ARG A 69 -35.792 10.006 -24.414 1.00 15.15 H new ATOM 0 HH22 ARG A 69 -36.455 8.764 -25.481 1.00 15.15 H new ATOM 1152 N THR A 70 -28.135 6.774 -22.362 1.00 63.33 N ATOM 1153 CA THR A 70 -27.109 6.376 -23.319 1.00 12.34 C ATOM 1154 C THR A 70 -26.197 5.305 -22.733 1.00 22.21 C ATOM 1155 O THR A 70 -25.269 4.839 -23.393 1.00 43.14 O ATOM 1156 CB THR A 70 -26.253 7.580 -23.757 1.00 74.30 C ATOM 1157 OG1 THR A 70 -26.073 8.479 -22.657 1.00 63.14 O ATOM 1158 CG2 THR A 70 -26.907 8.315 -24.917 1.00 71.55 C ATOM 0 H THR A 70 -27.832 7.476 -21.686 1.00 63.33 H new ATOM 0 HA THR A 70 -27.627 5.972 -24.189 1.00 12.34 H new ATOM 0 HB THR A 70 -25.282 7.208 -24.084 1.00 74.30 H new ATOM 0 HG1 THR A 70 -25.527 9.241 -22.943 1.00 63.14 H new ATOM 0 HG21 THR A 70 -26.285 9.161 -25.209 1.00 71.55 H new ATOM 0 HG22 THR A 70 -27.016 7.636 -25.763 1.00 71.55 H new ATOM 0 HG23 THR A 70 -27.889 8.675 -24.612 1.00 71.55 H new ATOM 1166 N GLN A 71 -26.468 4.918 -21.490 1.00 44.05 N ATOM 1167 CA GLN A 71 -25.670 3.901 -20.817 1.00 24.53 C ATOM 1168 C GLN A 71 -24.216 4.345 -20.688 1.00 55.21 C ATOM 1169 O GLN A 71 -23.298 3.601 -21.029 1.00 60.42 O ATOM 1170 CB GLN A 71 -25.745 2.576 -21.579 1.00 3.25 C ATOM 1171 CG GLN A 71 -27.165 2.078 -21.795 1.00 4.40 C ATOM 1172 CD GLN A 71 -27.236 0.926 -22.777 1.00 64.13 C ATOM 1173 OE1 GLN A 71 -26.336 0.087 -22.833 1.00 75.53 O ATOM 1174 NE2 GLN A 71 -28.308 0.879 -23.559 1.00 12.12 N ATOM 0 H GLN A 71 -27.233 5.293 -20.930 1.00 44.05 H new ATOM 0 HA GLN A 71 -26.078 3.760 -19.816 1.00 24.53 H new ATOM 0 HB2 GLN A 71 -25.259 2.695 -22.548 1.00 3.25 H new ATOM 0 HB3 GLN A 71 -25.183 1.819 -21.032 1.00 3.25 H new ATOM 0 HG2 GLN A 71 -27.585 1.763 -20.840 1.00 4.40 H new ATOM 0 HG3 GLN A 71 -27.783 2.899 -22.159 1.00 4.40 H new ATOM 0 HE21 GLN A 71 -29.030 1.595 -23.479 1.00 12.12 H new ATOM 0 HE22 GLN A 71 -28.410 0.127 -24.240 1.00 12.12 H new ATOM 1183 N GLN A 72 -24.017 5.563 -20.194 1.00 61.05 N ATOM 1184 CA GLN A 72 -22.675 6.106 -20.022 1.00 42.43 C ATOM 1185 C GLN A 72 -22.324 6.232 -18.543 1.00 40.14 C ATOM 1186 O GLN A 72 -21.276 6.771 -18.188 1.00 51.40 O ATOM 1187 CB GLN A 72 -22.563 7.472 -20.703 1.00 35.21 C ATOM 1188 CG GLN A 72 -21.526 7.515 -21.813 1.00 42.40 C ATOM 1189 CD GLN A 72 -21.758 8.656 -22.785 1.00 33.53 C ATOM 1190 OE1 GLN A 72 -22.732 8.655 -23.539 1.00 64.10 O ATOM 1191 NE2 GLN A 72 -20.864 9.637 -22.772 1.00 24.43 N ATOM 0 H GLN A 72 -24.767 6.191 -19.906 1.00 61.05 H new ATOM 0 HA GLN A 72 -21.970 5.417 -20.487 1.00 42.43 H new ATOM 0 HB2 GLN A 72 -23.535 7.744 -21.114 1.00 35.21 H new ATOM 0 HB3 GLN A 72 -22.312 8.223 -19.954 1.00 35.21 H new ATOM 0 HG2 GLN A 72 -20.533 7.613 -21.374 1.00 42.40 H new ATOM 0 HG3 GLN A 72 -21.542 6.571 -22.357 1.00 42.40 H new ATOM 0 HE21 GLN A 72 -20.072 9.597 -22.130 1.00 24.43 H new ATOM 0 HE22 GLN A 72 -20.969 10.431 -23.404 1.00 24.43 H new ATOM 1200 N TRP A 73 -23.207 5.732 -17.687 1.00 22.42 N ATOM 1201 CA TRP A 73 -22.990 5.789 -16.246 1.00 20.44 C ATOM 1202 C TRP A 73 -21.690 5.091 -15.863 1.00 25.23 C ATOM 1203 O TRP A 73 -20.984 5.528 -14.954 1.00 11.03 O ATOM 1204 CB TRP A 73 -24.165 5.146 -15.507 1.00 22.24 C ATOM 1205 CG TRP A 73 -24.409 3.722 -15.904 1.00 72.45 C ATOM 1206 CD1 TRP A 73 -25.184 3.281 -16.939 1.00 50.23 C ATOM 1207 CD2 TRP A 73 -23.877 2.552 -15.273 1.00 14.03 C ATOM 1208 NE1 TRP A 73 -25.166 1.908 -16.989 1.00 1.11 N ATOM 1209 CE2 TRP A 73 -24.371 1.437 -15.978 1.00 21.22 C ATOM 1210 CE3 TRP A 73 -23.031 2.338 -14.182 1.00 1.23 C ATOM 1211 CZ2 TRP A 73 -24.046 0.130 -15.625 1.00 22.13 C ATOM 1212 CZ3 TRP A 73 -22.709 1.040 -13.832 1.00 55.53 C ATOM 1213 CH2 TRP A 73 -23.215 -0.050 -14.552 1.00 72.12 C ATOM 0 H TRP A 73 -24.080 5.283 -17.965 1.00 22.42 H new ATOM 0 HA TRP A 73 -22.917 6.837 -15.956 1.00 20.44 H new ATOM 0 HB2 TRP A 73 -23.978 5.189 -14.434 1.00 22.24 H new ATOM 0 HB3 TRP A 73 -25.067 5.728 -15.697 1.00 22.24 H new ATOM 0 HD1 TRP A 73 -25.731 3.918 -17.618 1.00 50.23 H new ATOM 0 HE1 TRP A 73 -25.664 1.333 -17.669 1.00 1.11 H new ATOM 0 HE3 TRP A 73 -22.635 3.172 -13.622 1.00 1.23 H new ATOM 0 HZ2 TRP A 73 -24.436 -0.712 -16.178 1.00 22.13 H new ATOM 0 HZ3 TRP A 73 -22.057 0.863 -12.990 1.00 55.53 H new ATOM 0 HH2 TRP A 73 -22.944 -1.052 -14.255 1.00 72.12 H new ATOM 1224 N SER A 74 -21.378 4.004 -16.562 1.00 1.12 N ATOM 1225 CA SER A 74 -20.163 3.244 -16.292 1.00 32.21 C ATOM 1226 C SER A 74 -18.922 4.091 -16.555 1.00 12.53 C ATOM 1227 O SER A 74 -17.991 4.114 -15.750 1.00 52.32 O ATOM 1228 CB SER A 74 -20.124 1.981 -17.155 1.00 12.12 C ATOM 1229 OG SER A 74 -20.998 2.095 -18.265 1.00 31.33 O ATOM 0 H SER A 74 -21.950 3.630 -17.319 1.00 1.12 H new ATOM 0 HA SER A 74 -20.170 2.958 -15.240 1.00 32.21 H new ATOM 0 HB2 SER A 74 -19.107 1.807 -17.505 1.00 12.12 H new ATOM 0 HB3 SER A 74 -20.406 1.117 -16.553 1.00 12.12 H new ATOM 0 HG SER A 74 -20.954 1.276 -18.802 1.00 31.33 H new ATOM 1235 N MET A 75 -18.917 4.787 -17.687 1.00 55.20 N ATOM 1236 CA MET A 75 -17.792 5.638 -18.056 1.00 62.32 C ATOM 1237 C MET A 75 -17.741 6.884 -17.178 1.00 54.24 C ATOM 1238 O MET A 75 -16.686 7.247 -16.658 1.00 33.32 O ATOM 1239 CB MET A 75 -17.891 6.040 -19.529 1.00 2.52 C ATOM 1240 CG MET A 75 -16.627 5.755 -20.323 1.00 62.43 C ATOM 1241 SD MET A 75 -16.862 4.467 -21.564 1.00 13.42 S ATOM 1242 CE MET A 75 -17.192 3.049 -20.521 1.00 71.22 C ATOM 0 H MET A 75 -19.679 4.778 -18.365 1.00 55.20 H new ATOM 0 HA MET A 75 -16.874 5.071 -17.903 1.00 62.32 H new ATOM 0 HB2 MET A 75 -18.725 5.509 -19.987 1.00 2.52 H new ATOM 0 HB3 MET A 75 -18.118 7.104 -19.592 1.00 2.52 H new ATOM 0 HG2 MET A 75 -16.296 6.671 -20.813 1.00 62.43 H new ATOM 0 HG3 MET A 75 -15.833 5.455 -19.639 1.00 62.43 H new ATOM 0 HE1 MET A 75 -17.306 2.160 -21.141 1.00 71.22 H new ATOM 0 HE2 MET A 75 -16.362 2.905 -19.829 1.00 71.22 H new ATOM 0 HE3 MET A 75 -18.109 3.218 -19.957 1.00 71.22 H new ATOM 1252 N VAL A 76 -18.888 7.537 -17.018 1.00 74.23 N ATOM 1253 CA VAL A 76 -18.975 8.742 -16.203 1.00 3.32 C ATOM 1254 C VAL A 76 -18.567 8.461 -14.761 1.00 63.11 C ATOM 1255 O VAL A 76 -17.733 9.165 -14.193 1.00 22.14 O ATOM 1256 CB VAL A 76 -20.399 9.329 -16.217 1.00 20.53 C ATOM 1257 CG1 VAL A 76 -20.464 10.594 -15.375 1.00 30.21 C ATOM 1258 CG2 VAL A 76 -20.847 9.604 -17.644 1.00 13.21 C ATOM 0 H VAL A 76 -19.770 7.251 -17.443 1.00 74.23 H new ATOM 0 HA VAL A 76 -18.287 9.467 -16.638 1.00 3.32 H new ATOM 0 HB VAL A 76 -21.079 8.597 -15.782 1.00 20.53 H new ATOM 0 HG11 VAL A 76 -21.478 10.994 -15.397 1.00 30.21 H new ATOM 0 HG12 VAL A 76 -20.188 10.361 -14.347 1.00 30.21 H new ATOM 0 HG13 VAL A 76 -19.773 11.335 -15.777 1.00 30.21 H new ATOM 0 HG21 VAL A 76 -21.855 10.018 -17.635 1.00 13.21 H new ATOM 0 HG22 VAL A 76 -20.166 10.317 -18.108 1.00 13.21 H new ATOM 0 HG23 VAL A 76 -20.842 8.674 -18.213 1.00 13.21 H new ATOM 1268 N ALA A 77 -19.160 7.426 -14.175 1.00 53.12 N ATOM 1269 CA ALA A 77 -18.857 7.049 -12.800 1.00 41.52 C ATOM 1270 C ALA A 77 -17.362 6.815 -12.612 1.00 41.33 C ATOM 1271 O ALA A 77 -16.796 7.163 -11.576 1.00 71.40 O ATOM 1272 CB ALA A 77 -19.641 5.806 -12.408 1.00 72.03 C ATOM 0 H ALA A 77 -19.853 6.833 -14.632 1.00 53.12 H new ATOM 0 HA ALA A 77 -19.154 7.872 -12.150 1.00 41.52 H new ATOM 0 HB1 ALA A 77 -19.405 5.536 -11.379 1.00 72.03 H new ATOM 0 HB2 ALA A 77 -20.709 6.007 -12.494 1.00 72.03 H new ATOM 0 HB3 ALA A 77 -19.372 4.983 -13.070 1.00 72.03 H new ATOM 1278 N GLN A 78 -16.729 6.224 -13.620 1.00 41.24 N ATOM 1279 CA GLN A 78 -15.299 5.943 -13.564 1.00 73.32 C ATOM 1280 C GLN A 78 -14.492 7.235 -13.494 1.00 54.13 C ATOM 1281 O GLN A 78 -13.428 7.281 -12.878 1.00 21.05 O ATOM 1282 CB GLN A 78 -14.871 5.125 -14.784 1.00 4.30 C ATOM 1283 CG GLN A 78 -14.604 3.662 -14.472 1.00 61.52 C ATOM 1284 CD GLN A 78 -13.146 3.283 -14.648 1.00 55.44 C ATOM 1285 OE1 GLN A 78 -12.822 2.322 -15.346 1.00 55.13 O ATOM 1286 NE2 GLN A 78 -12.258 4.040 -14.015 1.00 23.21 N ATOM 0 H GLN A 78 -17.183 5.931 -14.485 1.00 41.24 H new ATOM 0 HA GLN A 78 -15.103 5.365 -12.661 1.00 73.32 H new ATOM 0 HB2 GLN A 78 -15.648 5.190 -15.545 1.00 4.30 H new ATOM 0 HB3 GLN A 78 -13.970 5.567 -15.210 1.00 4.30 H new ATOM 0 HG2 GLN A 78 -14.909 3.452 -13.447 1.00 61.52 H new ATOM 0 HG3 GLN A 78 -15.218 3.038 -15.121 1.00 61.52 H new ATOM 0 HE21 GLN A 78 -12.571 4.827 -13.447 1.00 23.21 H new ATOM 0 HE22 GLN A 78 -11.262 3.835 -14.097 1.00 23.21 H new ATOM 1295 N ARG A 79 -15.006 8.283 -14.131 1.00 30.34 N ATOM 1296 CA ARG A 79 -14.332 9.575 -14.142 1.00 12.52 C ATOM 1297 C ARG A 79 -14.119 10.090 -12.721 1.00 61.30 C ATOM 1298 O ARG A 79 -13.050 10.603 -12.389 1.00 43.52 O ATOM 1299 CB ARG A 79 -15.145 10.591 -14.947 1.00 10.34 C ATOM 1300 CG ARG A 79 -14.335 11.314 -16.010 1.00 42.12 C ATOM 1301 CD ARG A 79 -14.198 10.476 -17.272 1.00 23.25 C ATOM 1302 NE ARG A 79 -14.919 11.060 -18.398 1.00 55.55 N ATOM 1303 CZ ARG A 79 -15.057 10.459 -19.575 1.00 31.12 C ATOM 1304 NH1 ARG A 79 -14.525 9.261 -19.777 1.00 14.32 N ATOM 1305 NH2 ARG A 79 -15.728 11.055 -20.552 1.00 14.22 N ATOM 0 H ARG A 79 -15.886 8.262 -14.646 1.00 30.34 H new ATOM 0 HA ARG A 79 -13.358 9.444 -14.612 1.00 12.52 H new ATOM 0 HB2 ARG A 79 -15.980 10.079 -15.425 1.00 10.34 H new ATOM 0 HB3 ARG A 79 -15.571 11.326 -14.264 1.00 10.34 H new ATOM 0 HG2 ARG A 79 -14.815 12.262 -16.252 1.00 42.12 H new ATOM 0 HG3 ARG A 79 -13.345 11.548 -15.618 1.00 42.12 H new ATOM 0 HD2 ARG A 79 -13.143 10.378 -17.529 1.00 23.25 H new ATOM 0 HD3 ARG A 79 -14.575 9.471 -17.082 1.00 23.25 H new ATOM 0 HE ARG A 79 -15.340 11.981 -18.275 1.00 55.55 H new ATOM 0 HH11 ARG A 79 -14.009 8.799 -19.028 1.00 14.32 H new ATOM 0 HH12 ARG A 79 -14.632 8.801 -20.681 1.00 14.32 H new ATOM 0 HH21 ARG A 79 -16.139 11.976 -20.400 1.00 14.22 H new ATOM 0 HH22 ARG A 79 -15.833 10.592 -21.455 1.00 14.22 H new ATOM 1319 N LEU A 80 -15.143 9.948 -11.887 1.00 3.55 N ATOM 1320 CA LEU A 80 -15.068 10.399 -10.501 1.00 32.00 C ATOM 1321 C LEU A 80 -14.737 9.239 -9.568 1.00 64.42 C ATOM 1322 O LEU A 80 -14.559 9.429 -8.365 1.00 63.25 O ATOM 1323 CB LEU A 80 -16.391 11.043 -10.082 1.00 3.33 C ATOM 1324 CG LEU A 80 -17.661 10.324 -10.535 1.00 74.32 C ATOM 1325 CD1 LEU A 80 -18.764 10.484 -9.500 1.00 21.10 C ATOM 1326 CD2 LEU A 80 -18.118 10.849 -11.889 1.00 3.04 C ATOM 0 H LEU A 80 -16.034 9.525 -12.145 1.00 3.55 H new ATOM 0 HA LEU A 80 -14.271 11.139 -10.428 1.00 32.00 H new ATOM 0 HB2 LEU A 80 -16.408 11.117 -8.995 1.00 3.33 H new ATOM 0 HB3 LEU A 80 -16.416 12.061 -10.471 1.00 3.33 H new ATOM 0 HG LEU A 80 -17.437 9.262 -10.636 1.00 74.32 H new ATOM 0 HD11 LEU A 80 -19.660 9.965 -9.840 1.00 21.10 H new ATOM 0 HD12 LEU A 80 -18.437 10.059 -8.551 1.00 21.10 H new ATOM 0 HD13 LEU A 80 -18.986 11.543 -9.366 1.00 21.10 H new ATOM 0 HD21 LEU A 80 -19.024 10.325 -12.195 1.00 3.04 H new ATOM 0 HD22 LEU A 80 -18.324 11.917 -11.815 1.00 3.04 H new ATOM 0 HD23 LEU A 80 -17.334 10.681 -12.628 1.00 3.04 H new ATOM 1338 N GLN A 81 -14.653 8.038 -10.132 1.00 72.02 N ATOM 1339 CA GLN A 81 -14.341 6.847 -9.350 1.00 50.35 C ATOM 1340 C GLN A 81 -15.433 6.569 -8.323 1.00 0.33 C ATOM 1341 O GLN A 81 -15.148 6.342 -7.146 1.00 51.14 O ATOM 1342 CB GLN A 81 -12.992 7.012 -8.648 1.00 15.15 C ATOM 1343 CG GLN A 81 -12.462 5.724 -8.039 1.00 34.12 C ATOM 1344 CD GLN A 81 -11.427 5.047 -8.915 1.00 51.13 C ATOM 1345 OE1 GLN A 81 -11.289 5.370 -10.095 1.00 50.34 O ATOM 1346 NE2 GLN A 81 -10.692 4.102 -8.341 1.00 70.34 N ATOM 0 H GLN A 81 -14.797 7.864 -11.127 1.00 72.02 H new ATOM 0 HA GLN A 81 -14.286 5.998 -10.032 1.00 50.35 H new ATOM 0 HB2 GLN A 81 -12.263 7.392 -9.364 1.00 15.15 H new ATOM 0 HB3 GLN A 81 -13.089 7.762 -7.863 1.00 15.15 H new ATOM 0 HG2 GLN A 81 -12.022 5.941 -7.065 1.00 34.12 H new ATOM 0 HG3 GLN A 81 -13.292 5.039 -7.868 1.00 34.12 H new ATOM 0 HE21 GLN A 81 -10.840 3.866 -7.360 1.00 70.34 H new ATOM 0 HE22 GLN A 81 -9.979 3.612 -8.881 1.00 70.34 H new ATOM 1355 N ILE A 82 -16.682 6.589 -8.774 1.00 54.22 N ATOM 1356 CA ILE A 82 -17.817 6.338 -7.893 1.00 45.45 C ATOM 1357 C ILE A 82 -18.352 4.923 -8.077 1.00 35.31 C ATOM 1358 O ILE A 82 -18.867 4.316 -7.137 1.00 63.04 O ATOM 1359 CB ILE A 82 -18.957 7.343 -8.144 1.00 5.34 C ATOM 1360 CG1 ILE A 82 -20.102 7.104 -7.158 1.00 0.12 C ATOM 1361 CG2 ILE A 82 -19.453 7.235 -9.578 1.00 31.35 C ATOM 1362 CD1 ILE A 82 -20.687 8.378 -6.590 1.00 5.41 C ATOM 0 H ILE A 82 -16.935 6.776 -9.744 1.00 54.22 H new ATOM 0 HA ILE A 82 -17.457 6.458 -6.871 1.00 45.45 H new ATOM 0 HB ILE A 82 -18.574 8.352 -7.989 1.00 5.34 H new ATOM 0 HG12 ILE A 82 -20.891 6.544 -7.659 1.00 0.12 H new ATOM 0 HG13 ILE A 82 -19.741 6.483 -6.338 1.00 0.12 H new ATOM 0 HG21 ILE A 82 -20.258 7.952 -9.739 1.00 31.35 H new ATOM 0 HG22 ILE A 82 -18.633 7.450 -10.264 1.00 31.35 H new ATOM 0 HG23 ILE A 82 -19.823 6.226 -9.760 1.00 31.35 H new ATOM 0 HD11 ILE A 82 -21.493 8.132 -5.899 1.00 5.41 H new ATOM 0 HD12 ILE A 82 -19.911 8.930 -6.060 1.00 5.41 H new ATOM 0 HD13 ILE A 82 -21.079 8.992 -7.401 1.00 5.41 H new ATOM 1374 N SER A 83 -18.227 4.401 -9.293 1.00 40.21 N ATOM 1375 CA SER A 83 -18.701 3.057 -9.601 1.00 65.10 C ATOM 1376 C SER A 83 -17.642 2.270 -10.368 1.00 4.25 C ATOM 1377 O SER A 83 -17.744 2.089 -11.581 1.00 33.01 O ATOM 1378 CB SER A 83 -19.993 3.123 -10.417 1.00 30.01 C ATOM 1379 OG SER A 83 -20.772 1.953 -10.234 1.00 42.23 O ATOM 0 H SER A 83 -17.801 4.889 -10.081 1.00 40.21 H new ATOM 0 HA SER A 83 -18.900 2.544 -8.660 1.00 65.10 H new ATOM 0 HB2 SER A 83 -20.570 3.998 -10.120 1.00 30.01 H new ATOM 0 HB3 SER A 83 -19.754 3.243 -11.474 1.00 30.01 H new ATOM 0 HG SER A 83 -21.593 2.020 -10.765 1.00 42.23 H new ATOM 1385 N ASP A 84 -16.625 1.805 -9.650 1.00 43.43 N ATOM 1386 CA ASP A 84 -15.546 1.037 -10.261 1.00 73.11 C ATOM 1387 C ASP A 84 -15.757 -0.459 -10.049 1.00 52.00 C ATOM 1388 O ASP A 84 -14.923 -1.134 -9.445 1.00 74.32 O ATOM 1389 CB ASP A 84 -14.196 1.462 -9.681 1.00 35.43 C ATOM 1390 CG ASP A 84 -13.533 2.554 -10.496 1.00 54.13 C ATOM 1391 OD1 ASP A 84 -14.261 3.402 -11.055 1.00 64.14 O ATOM 1392 OD2 ASP A 84 -12.287 2.562 -10.575 1.00 33.12 O ATOM 0 H ASP A 84 -16.525 1.946 -8.645 1.00 43.43 H new ATOM 0 HA ASP A 84 -15.551 1.238 -11.332 1.00 73.11 H new ATOM 0 HB2 ASP A 84 -14.337 1.811 -8.658 1.00 35.43 H new ATOM 0 HB3 ASP A 84 -13.535 0.596 -9.634 1.00 35.43 H new ATOM 1397 N TYR A 85 -16.877 -0.970 -10.548 1.00 52.22 N ATOM 1398 CA TYR A 85 -17.200 -2.385 -10.410 1.00 64.04 C ATOM 1399 C TYR A 85 -17.592 -2.717 -8.974 1.00 53.10 C ATOM 1400 O TYR A 85 -18.210 -1.905 -8.285 1.00 61.33 O ATOM 1401 CB TYR A 85 -16.009 -3.245 -10.837 1.00 3.10 C ATOM 1402 CG TYR A 85 -16.406 -4.523 -11.541 1.00 3.30 C ATOM 1403 CD1 TYR A 85 -17.308 -4.506 -12.597 1.00 41.14 C ATOM 1404 CD2 TYR A 85 -15.878 -5.747 -11.150 1.00 65.11 C ATOM 1405 CE1 TYR A 85 -17.674 -5.671 -13.243 1.00 21.12 C ATOM 1406 CE2 TYR A 85 -16.237 -6.917 -11.791 1.00 23.23 C ATOM 1407 CZ TYR A 85 -17.136 -6.874 -12.836 1.00 25.10 C ATOM 1408 OH TYR A 85 -17.497 -8.037 -13.477 1.00 45.13 O ATOM 0 H TYR A 85 -17.577 -0.425 -11.052 1.00 52.22 H new ATOM 0 HA TYR A 85 -18.049 -2.603 -11.058 1.00 64.04 H new ATOM 0 HB2 TYR A 85 -15.368 -2.661 -11.497 1.00 3.10 H new ATOM 0 HB3 TYR A 85 -15.417 -3.494 -9.956 1.00 3.10 H new ATOM 0 HD1 TYR A 85 -17.731 -3.566 -12.919 1.00 41.14 H new ATOM 0 HD2 TYR A 85 -15.175 -5.785 -10.331 1.00 65.11 H new ATOM 0 HE1 TYR A 85 -18.377 -5.640 -14.062 1.00 21.12 H new ATOM 0 HE2 TYR A 85 -15.816 -7.860 -11.475 1.00 23.23 H new ATOM 0 HH TYR A 85 -17.028 -8.795 -13.069 1.00 45.13 H new ATOM 1418 N GLN A 86 -17.228 -3.916 -8.530 1.00 13.41 N ATOM 1419 CA GLN A 86 -17.542 -4.356 -7.176 1.00 12.33 C ATOM 1420 C GLN A 86 -17.141 -3.298 -6.153 1.00 24.22 C ATOM 1421 O GLN A 86 -17.785 -3.149 -5.115 1.00 74.33 O ATOM 1422 CB GLN A 86 -16.832 -5.675 -6.868 1.00 73.33 C ATOM 1423 CG GLN A 86 -15.330 -5.625 -7.096 1.00 30.35 C ATOM 1424 CD GLN A 86 -14.622 -6.869 -6.595 1.00 74.24 C ATOM 1425 OE1 GLN A 86 -14.850 -7.317 -5.471 1.00 61.22 O ATOM 1426 NE2 GLN A 86 -13.758 -7.435 -7.430 1.00 12.01 N ATOM 0 H GLN A 86 -16.716 -4.599 -9.088 1.00 13.41 H new ATOM 0 HA GLN A 86 -18.619 -4.508 -7.111 1.00 12.33 H new ATOM 0 HB2 GLN A 86 -17.025 -5.948 -5.831 1.00 73.33 H new ATOM 0 HB3 GLN A 86 -17.259 -6.462 -7.489 1.00 73.33 H new ATOM 0 HG2 GLN A 86 -15.132 -5.503 -8.161 1.00 30.35 H new ATOM 0 HG3 GLN A 86 -14.919 -4.750 -6.593 1.00 30.35 H new ATOM 0 HE21 GLN A 86 -13.600 -7.030 -8.353 1.00 12.01 H new ATOM 0 HE22 GLN A 86 -13.252 -8.275 -7.149 1.00 12.01 H new ATOM 1435 N GLN A 87 -16.072 -2.567 -6.453 1.00 62.40 N ATOM 1436 CA GLN A 87 -15.584 -1.525 -5.558 1.00 52.52 C ATOM 1437 C GLN A 87 -16.680 -0.507 -5.260 1.00 52.43 C ATOM 1438 O GLN A 87 -16.700 0.105 -4.191 1.00 41.34 O ATOM 1439 CB GLN A 87 -14.372 -0.822 -6.172 1.00 53.33 C ATOM 1440 CG GLN A 87 -13.286 -1.778 -6.637 1.00 43.33 C ATOM 1441 CD GLN A 87 -11.932 -1.462 -6.031 1.00 74.41 C ATOM 1442 OE1 GLN A 87 -11.306 -2.317 -5.403 1.00 53.31 O ATOM 1443 NE2 GLN A 87 -11.473 -0.230 -6.217 1.00 20.35 N ATOM 0 H GLN A 87 -15.528 -2.677 -7.309 1.00 62.40 H new ATOM 0 HA GLN A 87 -15.286 -1.996 -4.621 1.00 52.52 H new ATOM 0 HB2 GLN A 87 -14.702 -0.220 -7.019 1.00 53.33 H new ATOM 0 HB3 GLN A 87 -13.950 -0.135 -5.438 1.00 53.33 H new ATOM 0 HG2 GLN A 87 -13.568 -2.798 -6.375 1.00 43.33 H new ATOM 0 HG3 GLN A 87 -13.212 -1.737 -7.724 1.00 43.33 H new ATOM 0 HE21 GLN A 87 -12.026 0.446 -6.744 1.00 20.35 H new ATOM 0 HE22 GLN A 87 -10.568 0.040 -5.833 1.00 20.35 H new ATOM 1452 N LEU A 88 -17.591 -0.330 -6.211 1.00 45.34 N ATOM 1453 CA LEU A 88 -18.691 0.615 -6.051 1.00 64.02 C ATOM 1454 C LEU A 88 -19.455 0.347 -4.759 1.00 21.32 C ATOM 1455 O LEU A 88 -20.026 1.260 -4.164 1.00 73.10 O ATOM 1456 CB LEU A 88 -19.641 0.528 -7.247 1.00 12.54 C ATOM 1457 CG LEU A 88 -20.678 -0.595 -7.200 1.00 45.11 C ATOM 1458 CD1 LEU A 88 -21.953 -0.117 -6.523 1.00 23.21 C ATOM 1459 CD2 LEU A 88 -20.975 -1.104 -8.603 1.00 31.42 C ATOM 0 H LEU A 88 -17.590 -0.828 -7.101 1.00 45.34 H new ATOM 0 HA LEU A 88 -18.271 1.620 -6.001 1.00 64.02 H new ATOM 0 HB2 LEU A 88 -20.168 1.478 -7.337 1.00 12.54 H new ATOM 0 HB3 LEU A 88 -19.045 0.407 -8.151 1.00 12.54 H new ATOM 0 HG LEU A 88 -20.268 -1.418 -6.615 1.00 45.11 H new ATOM 0 HD11 LEU A 88 -22.679 -0.930 -6.499 1.00 23.21 H new ATOM 0 HD12 LEU A 88 -21.728 0.199 -5.504 1.00 23.21 H new ATOM 0 HD13 LEU A 88 -22.368 0.723 -7.080 1.00 23.21 H new ATOM 0 HD21 LEU A 88 -21.715 -1.903 -8.551 1.00 31.42 H new ATOM 0 HD22 LEU A 88 -21.364 -0.288 -9.211 1.00 31.42 H new ATOM 0 HD23 LEU A 88 -20.059 -1.487 -9.053 1.00 31.42 H new ATOM 1471 N GLU A 89 -19.458 -0.911 -4.330 1.00 35.55 N ATOM 1472 CA GLU A 89 -20.152 -1.299 -3.106 1.00 45.44 C ATOM 1473 C GLU A 89 -19.463 -0.706 -1.880 1.00 53.22 C ATOM 1474 O GLU A 89 -20.122 -0.242 -0.949 1.00 43.33 O ATOM 1475 CB GLU A 89 -20.208 -2.823 -2.986 1.00 45.02 C ATOM 1476 CG GLU A 89 -21.487 -3.337 -2.348 1.00 52.41 C ATOM 1477 CD GLU A 89 -21.586 -4.850 -2.376 1.00 13.55 C ATOM 1478 OE1 GLU A 89 -21.210 -5.449 -3.404 1.00 62.52 O ATOM 1479 OE2 GLU A 89 -22.040 -5.433 -1.369 1.00 73.34 O ATOM 0 H GLU A 89 -18.989 -1.679 -4.811 1.00 35.55 H new ATOM 0 HA GLU A 89 -21.169 -0.909 -3.155 1.00 45.44 H new ATOM 0 HB2 GLU A 89 -20.106 -3.261 -3.979 1.00 45.02 H new ATOM 0 HB3 GLU A 89 -19.356 -3.164 -2.398 1.00 45.02 H new ATOM 0 HG2 GLU A 89 -21.537 -2.992 -1.315 1.00 52.41 H new ATOM 0 HG3 GLU A 89 -22.345 -2.911 -2.868 1.00 52.41 H new ATOM 1486 N SER A 90 -18.134 -0.726 -1.887 1.00 53.33 N ATOM 1487 CA SER A 90 -17.356 -0.195 -0.774 1.00 41.45 C ATOM 1488 C SER A 90 -17.477 1.325 -0.703 1.00 61.40 C ATOM 1489 O SER A 90 -17.646 1.895 0.375 1.00 24.54 O ATOM 1490 CB SER A 90 -15.886 -0.594 -0.916 1.00 20.40 C ATOM 1491 OG SER A 90 -15.606 -1.777 -0.186 1.00 55.34 O ATOM 0 H SER A 90 -17.574 -1.104 -2.651 1.00 53.33 H new ATOM 0 HA SER A 90 -17.753 -0.618 0.149 1.00 41.45 H new ATOM 0 HB2 SER A 90 -15.647 -0.747 -1.968 1.00 20.40 H new ATOM 0 HB3 SER A 90 -15.250 0.216 -0.560 1.00 20.40 H new ATOM 0 HG SER A 90 -14.661 -2.012 -0.294 1.00 55.34 H new ATOM 1497 N ILE A 91 -17.389 1.974 -1.859 1.00 74.41 N ATOM 1498 CA ILE A 91 -17.490 3.426 -1.929 1.00 0.14 C ATOM 1499 C ILE A 91 -18.889 3.899 -1.548 1.00 42.11 C ATOM 1500 O ILE A 91 -19.047 4.879 -0.820 1.00 14.21 O ATOM 1501 CB ILE A 91 -17.150 3.947 -3.337 1.00 44.24 C ATOM 1502 CG1 ILE A 91 -15.816 3.365 -3.812 1.00 14.31 C ATOM 1503 CG2 ILE A 91 -17.102 5.468 -3.342 1.00 62.24 C ATOM 1504 CD1 ILE A 91 -15.444 3.777 -5.219 1.00 1.32 C ATOM 0 H ILE A 91 -17.248 1.517 -2.760 1.00 74.41 H new ATOM 0 HA ILE A 91 -16.767 3.827 -1.218 1.00 0.14 H new ATOM 0 HB ILE A 91 -17.931 3.625 -4.026 1.00 44.24 H new ATOM 0 HG12 ILE A 91 -15.027 3.681 -3.129 1.00 14.31 H new ATOM 0 HG13 ILE A 91 -15.865 2.277 -3.761 1.00 14.31 H new ATOM 0 HG21 ILE A 91 -16.860 5.821 -4.345 1.00 62.24 H new ATOM 0 HG22 ILE A 91 -18.072 5.864 -3.042 1.00 62.24 H new ATOM 0 HG23 ILE A 91 -16.339 5.810 -2.643 1.00 62.24 H new ATOM 0 HD11 ILE A 91 -14.488 3.328 -5.489 1.00 1.32 H new ATOM 0 HD12 ILE A 91 -16.213 3.437 -5.913 1.00 1.32 H new ATOM 0 HD13 ILE A 91 -15.362 4.863 -5.271 1.00 1.32 H new ATOM 1516 N TYR A 92 -19.900 3.195 -2.044 1.00 14.41 N ATOM 1517 CA TYR A 92 -21.287 3.543 -1.757 1.00 1.44 C ATOM 1518 C TYR A 92 -21.597 3.367 -0.273 1.00 64.01 C ATOM 1519 O TYR A 92 -22.250 4.210 0.341 1.00 14.22 O ATOM 1520 CB TYR A 92 -22.235 2.682 -2.593 1.00 23.12 C ATOM 1521 CG TYR A 92 -22.560 3.277 -3.944 1.00 61.44 C ATOM 1522 CD1 TYR A 92 -21.559 3.801 -4.753 1.00 52.22 C ATOM 1523 CD2 TYR A 92 -23.868 3.315 -4.412 1.00 65.02 C ATOM 1524 CE1 TYR A 92 -21.851 4.346 -5.989 1.00 15.25 C ATOM 1525 CE2 TYR A 92 -24.169 3.857 -5.647 1.00 21.43 C ATOM 1526 CZ TYR A 92 -23.158 4.371 -6.431 1.00 44.20 C ATOM 1527 OH TYR A 92 -23.454 4.913 -7.661 1.00 20.12 O ATOM 0 H TYR A 92 -19.786 2.380 -2.647 1.00 14.41 H new ATOM 0 HA TYR A 92 -21.433 4.591 -2.019 1.00 1.44 H new ATOM 0 HB2 TYR A 92 -21.788 1.698 -2.737 1.00 23.12 H new ATOM 0 HB3 TYR A 92 -23.162 2.533 -2.038 1.00 23.12 H new ATOM 0 HD1 TYR A 92 -20.535 3.782 -4.410 1.00 52.22 H new ATOM 0 HD2 TYR A 92 -24.663 2.914 -3.800 1.00 65.02 H new ATOM 0 HE1 TYR A 92 -21.061 4.750 -6.605 1.00 15.25 H new ATOM 0 HE2 TYR A 92 -25.191 3.878 -5.996 1.00 21.43 H new ATOM 0 HH TYR A 92 -24.419 4.852 -7.822 1.00 20.12 H new ATOM 1537 N PHE A 93 -21.121 2.265 0.297 1.00 73.43 N ATOM 1538 CA PHE A 93 -21.347 1.975 1.708 1.00 3.42 C ATOM 1539 C PHE A 93 -20.671 3.020 2.592 1.00 60.21 C ATOM 1540 O PHE A 93 -21.289 3.572 3.502 1.00 13.10 O ATOM 1541 CB PHE A 93 -20.822 0.581 2.055 1.00 22.31 C ATOM 1542 CG PHE A 93 -21.489 -0.030 3.254 1.00 54.00 C ATOM 1543 CD1 PHE A 93 -21.025 0.236 4.532 1.00 33.31 C ATOM 1544 CD2 PHE A 93 -22.581 -0.870 3.103 1.00 63.24 C ATOM 1545 CE1 PHE A 93 -21.638 -0.324 5.638 1.00 64.44 C ATOM 1546 CE2 PHE A 93 -23.197 -1.433 4.204 1.00 12.33 C ATOM 1547 CZ PHE A 93 -22.724 -1.161 5.473 1.00 14.52 C ATOM 0 H PHE A 93 -20.576 1.558 -0.197 1.00 73.43 H new ATOM 0 HA PHE A 93 -22.421 2.007 1.893 1.00 3.42 H new ATOM 0 HB2 PHE A 93 -20.963 -0.076 1.197 1.00 22.31 H new ATOM 0 HB3 PHE A 93 -19.749 0.641 2.237 1.00 22.31 H new ATOM 0 HD1 PHE A 93 -20.175 0.888 4.666 1.00 33.31 H new ATOM 0 HD2 PHE A 93 -22.955 -1.087 2.113 1.00 63.24 H new ATOM 0 HE1 PHE A 93 -21.268 -0.107 6.629 1.00 64.44 H new ATOM 0 HE2 PHE A 93 -24.048 -2.085 4.073 1.00 12.33 H new ATOM 0 HZ PHE A 93 -23.203 -1.602 6.335 1.00 14.52 H new ATOM 1557 N ARG A 94 -19.398 3.285 2.317 1.00 60.40 N ATOM 1558 CA ARG A 94 -18.637 4.261 3.087 1.00 20.34 C ATOM 1559 C ARG A 94 -19.226 5.659 2.926 1.00 1.10 C ATOM 1560 O ARG A 94 -19.145 6.486 3.835 1.00 62.11 O ATOM 1561 CB ARG A 94 -17.172 4.259 2.648 1.00 62.14 C ATOM 1562 CG ARG A 94 -16.303 3.285 3.427 1.00 73.44 C ATOM 1563 CD ARG A 94 -15.314 2.572 2.518 1.00 24.45 C ATOM 1564 NE ARG A 94 -14.961 1.248 3.025 1.00 11.13 N ATOM 1565 CZ ARG A 94 -15.812 0.230 3.075 1.00 34.45 C ATOM 1566 NH1 ARG A 94 -17.059 0.382 2.651 1.00 13.15 N ATOM 1567 NH2 ARG A 94 -15.417 -0.945 3.550 1.00 3.41 N ATOM 0 H ARG A 94 -18.872 2.837 1.566 1.00 60.40 H new ATOM 0 HA ARG A 94 -18.694 3.981 4.139 1.00 20.34 H new ATOM 0 HB2 ARG A 94 -17.120 4.011 1.588 1.00 62.14 H new ATOM 0 HB3 ARG A 94 -16.767 5.264 2.761 1.00 62.14 H new ATOM 0 HG2 ARG A 94 -15.761 3.822 4.206 1.00 73.44 H new ATOM 0 HG3 ARG A 94 -16.935 2.551 3.926 1.00 73.44 H new ATOM 0 HD2 ARG A 94 -15.743 2.476 1.520 1.00 24.45 H new ATOM 0 HD3 ARG A 94 -14.411 3.175 2.420 1.00 24.45 H new ATOM 0 HE ARG A 94 -14.009 1.097 3.359 1.00 11.13 H new ATOM 0 HH11 ARG A 94 -17.367 1.283 2.285 1.00 13.15 H new ATOM 0 HH12 ARG A 94 -17.710 -0.402 2.691 1.00 13.15 H new ATOM 0 HH21 ARG A 94 -14.459 -1.067 3.877 1.00 3.41 H new ATOM 0 HH22 ARG A 94 -16.072 -1.726 3.588 1.00 3.41 H new ATOM 1581 N ILE A 95 -19.817 5.916 1.764 1.00 33.12 N ATOM 1582 CA ILE A 95 -20.420 7.213 1.485 1.00 42.44 C ATOM 1583 C ILE A 95 -21.796 7.331 2.130 1.00 75.32 C ATOM 1584 O ILE A 95 -22.259 8.430 2.437 1.00 4.32 O ATOM 1585 CB ILE A 95 -20.553 7.458 -0.030 1.00 64.21 C ATOM 1586 CG1 ILE A 95 -19.183 7.761 -0.642 1.00 32.21 C ATOM 1587 CG2 ILE A 95 -21.523 8.598 -0.300 1.00 32.14 C ATOM 1588 CD1 ILE A 95 -19.160 7.661 -2.151 1.00 73.01 C ATOM 0 H ILE A 95 -19.891 5.243 1.001 1.00 33.12 H new ATOM 0 HA ILE A 95 -19.757 7.966 1.910 1.00 42.44 H new ATOM 0 HB ILE A 95 -20.947 6.554 -0.495 1.00 64.21 H new ATOM 0 HG12 ILE A 95 -18.877 8.765 -0.348 1.00 32.21 H new ATOM 0 HG13 ILE A 95 -18.449 7.070 -0.229 1.00 32.21 H new ATOM 0 HG21 ILE A 95 -21.606 8.758 -1.375 1.00 32.14 H new ATOM 0 HG22 ILE A 95 -22.503 8.346 0.106 1.00 32.14 H new ATOM 0 HG23 ILE A 95 -21.157 9.508 0.175 1.00 32.14 H new ATOM 0 HD11 ILE A 95 -18.158 7.888 -2.515 1.00 73.01 H new ATOM 0 HD12 ILE A 95 -19.435 6.650 -2.453 1.00 73.01 H new ATOM 0 HD13 ILE A 95 -19.870 8.372 -2.574 1.00 73.01 H new ATOM 1600 N LEU A 96 -22.447 6.191 2.334 1.00 21.41 N ATOM 1601 CA LEU A 96 -23.771 6.164 2.945 1.00 13.22 C ATOM 1602 C LEU A 96 -23.668 6.066 4.464 1.00 74.31 C ATOM 1603 O LEU A 96 -24.652 6.264 5.178 1.00 54.22 O ATOM 1604 CB LEU A 96 -24.583 4.988 2.400 1.00 23.43 C ATOM 1605 CG LEU A 96 -26.055 5.270 2.097 1.00 5.41 C ATOM 1606 CD1 LEU A 96 -26.806 5.617 3.373 1.00 25.44 C ATOM 1607 CD2 LEU A 96 -26.183 6.394 1.079 1.00 0.10 C ATOM 0 H LEU A 96 -22.079 5.273 2.085 1.00 21.41 H new ATOM 0 HA LEU A 96 -24.279 7.095 2.693 1.00 13.22 H new ATOM 0 HB2 LEU A 96 -24.106 4.636 1.485 1.00 23.43 H new ATOM 0 HB3 LEU A 96 -24.531 4.172 3.121 1.00 23.43 H new ATOM 0 HG LEU A 96 -26.498 4.369 1.673 1.00 5.41 H new ATOM 0 HD11 LEU A 96 -27.852 5.814 3.137 1.00 25.44 H new ATOM 0 HD12 LEU A 96 -26.743 4.782 4.071 1.00 25.44 H new ATOM 0 HD13 LEU A 96 -26.363 6.503 3.827 1.00 25.44 H new ATOM 0 HD21 LEU A 96 -27.237 6.582 0.875 1.00 0.10 H new ATOM 0 HD22 LEU A 96 -25.724 7.299 1.477 1.00 0.10 H new ATOM 0 HD23 LEU A 96 -25.680 6.107 0.155 1.00 0.10 H new ATOM 1619 N LEU A 97 -22.471 5.760 4.952 1.00 52.32 N ATOM 1620 CA LEU A 97 -22.238 5.638 6.387 1.00 73.23 C ATOM 1621 C LEU A 97 -22.960 6.742 7.152 1.00 51.42 C ATOM 1622 O LEU A 97 -23.161 7.849 6.651 1.00 40.11 O ATOM 1623 CB LEU A 97 -20.739 5.690 6.686 1.00 32.03 C ATOM 1624 CG LEU A 97 -20.169 4.504 7.465 1.00 65.15 C ATOM 1625 CD1 LEU A 97 -19.147 3.755 6.623 1.00 70.12 C ATOM 1626 CD2 LEU A 97 -19.545 4.973 8.771 1.00 43.43 C ATOM 0 H LEU A 97 -21.647 5.592 4.375 1.00 52.32 H new ATOM 0 HA LEU A 97 -22.634 4.677 6.714 1.00 73.23 H new ATOM 0 HB2 LEU A 97 -20.203 5.770 5.740 1.00 32.03 H new ATOM 0 HB3 LEU A 97 -20.532 6.601 7.247 1.00 32.03 H new ATOM 0 HG LEU A 97 -20.986 3.822 7.701 1.00 65.15 H new ATOM 0 HD11 LEU A 97 -18.752 2.914 7.193 1.00 70.12 H new ATOM 0 HD12 LEU A 97 -19.624 3.386 5.715 1.00 70.12 H new ATOM 0 HD13 LEU A 97 -18.332 4.428 6.357 1.00 70.12 H new ATOM 0 HD21 LEU A 97 -19.145 4.115 9.312 1.00 43.43 H new ATOM 0 HD22 LEU A 97 -18.739 5.676 8.558 1.00 43.43 H new ATOM 0 HD23 LEU A 97 -20.303 5.465 9.381 1.00 43.43 H new ATOM 1638 N PRO A 98 -23.358 6.438 8.396 1.00 53.01 N ATOM 1639 CA PRO A 98 -24.061 7.393 9.258 1.00 74.21 C ATOM 1640 C PRO A 98 -23.158 8.531 9.720 1.00 22.34 C ATOM 1641 O PRO A 98 -23.605 9.668 9.874 1.00 24.45 O ATOM 1642 CB PRO A 98 -24.499 6.539 10.451 1.00 65.44 C ATOM 1643 CG PRO A 98 -23.523 5.413 10.488 1.00 12.23 C ATOM 1644 CD PRO A 98 -23.152 5.138 9.057 1.00 14.51 C ATOM 0 HA PRO A 98 -24.887 7.879 8.739 1.00 74.21 H new ATOM 0 HB2 PRO A 98 -24.478 7.112 11.378 1.00 65.44 H new ATOM 0 HB3 PRO A 98 -25.519 6.175 10.325 1.00 65.44 H new ATOM 0 HG2 PRO A 98 -22.644 5.678 11.075 1.00 12.23 H new ATOM 0 HG3 PRO A 98 -23.963 4.531 10.953 1.00 12.23 H new ATOM 0 HD2 PRO A 98 -22.119 4.801 8.967 1.00 14.51 H new ATOM 0 HD3 PRO A 98 -23.780 4.361 8.621 1.00 14.51 H new ATOM 1652 N TYR A 99 -21.886 8.218 9.940 1.00 64.23 N ATOM 1653 CA TYR A 99 -20.920 9.214 10.387 1.00 45.25 C ATOM 1654 C TYR A 99 -20.595 10.198 9.267 1.00 3.50 C ATOM 1655 O TYR A 99 -20.550 11.409 9.484 1.00 25.23 O ATOM 1656 CB TYR A 99 -19.638 8.532 10.869 1.00 51.31 C ATOM 1657 CG TYR A 99 -19.835 7.673 12.097 1.00 11.04 C ATOM 1658 CD1 TYR A 99 -20.422 8.192 13.245 1.00 22.11 C ATOM 1659 CD2 TYR A 99 -19.434 6.343 12.111 1.00 43.02 C ATOM 1660 CE1 TYR A 99 -20.603 7.411 14.370 1.00 32.12 C ATOM 1661 CE2 TYR A 99 -19.612 5.554 13.231 1.00 54.33 C ATOM 1662 CZ TYR A 99 -20.197 6.093 14.358 1.00 74.31 C ATOM 1663 OH TYR A 99 -20.376 5.311 15.476 1.00 61.40 O ATOM 0 H TYR A 99 -21.500 7.282 9.816 1.00 64.23 H new ATOM 0 HA TYR A 99 -21.363 9.767 11.215 1.00 45.25 H new ATOM 0 HB2 TYR A 99 -19.240 7.914 10.064 1.00 51.31 H new ATOM 0 HB3 TYR A 99 -18.890 9.295 11.085 1.00 51.31 H new ATOM 0 HD1 TYR A 99 -20.742 9.223 13.258 1.00 22.11 H new ATOM 0 HD2 TYR A 99 -18.975 5.918 11.231 1.00 43.02 H new ATOM 0 HE1 TYR A 99 -21.060 7.830 15.254 1.00 32.12 H new ATOM 0 HE2 TYR A 99 -19.295 4.522 13.224 1.00 54.33 H new ATOM 0 HH TYR A 99 -20.037 4.408 15.301 1.00 61.40 H new ATOM 1673 N GLU A 100 -20.370 9.669 8.069 1.00 60.43 N ATOM 1674 CA GLU A 100 -20.049 10.500 6.915 1.00 71.05 C ATOM 1675 C GLU A 100 -21.243 11.364 6.518 1.00 43.11 C ATOM 1676 O GLU A 100 -21.113 12.575 6.339 1.00 54.31 O ATOM 1677 CB GLU A 100 -19.622 9.627 5.732 1.00 10.44 C ATOM 1678 CG GLU A 100 -18.684 10.330 4.765 1.00 22.42 C ATOM 1679 CD GLU A 100 -19.053 11.784 4.546 1.00 33.20 C ATOM 1680 OE1 GLU A 100 -20.147 12.043 4.002 1.00 10.13 O ATOM 1681 OE2 GLU A 100 -18.248 12.663 4.919 1.00 60.41 O ATOM 0 H GLU A 100 -20.404 8.669 7.872 1.00 60.43 H new ATOM 0 HA GLU A 100 -19.223 11.156 7.190 1.00 71.05 H new ATOM 0 HB2 GLU A 100 -19.134 8.729 6.111 1.00 10.44 H new ATOM 0 HB3 GLU A 100 -20.511 9.302 5.191 1.00 10.44 H new ATOM 0 HG2 GLU A 100 -17.665 10.271 5.146 1.00 22.42 H new ATOM 0 HG3 GLU A 100 -18.697 9.808 3.808 1.00 22.42 H new ATOM 1688 N ARG A 101 -22.404 10.732 6.382 1.00 41.31 N ATOM 1689 CA ARG A 101 -23.620 11.442 6.005 1.00 53.03 C ATOM 1690 C ARG A 101 -23.984 12.492 7.051 1.00 61.41 C ATOM 1691 O ARG A 101 -24.472 13.572 6.718 1.00 0.10 O ATOM 1692 CB ARG A 101 -24.778 10.457 5.831 1.00 1.12 C ATOM 1693 CG ARG A 101 -25.223 9.805 7.130 1.00 3.12 C ATOM 1694 CD ARG A 101 -26.314 10.614 7.814 1.00 24.14 C ATOM 1695 NE ARG A 101 -27.565 9.867 7.919 1.00 45.42 N ATOM 1696 CZ ARG A 101 -28.575 10.232 8.701 1.00 63.23 C ATOM 1697 NH1 ARG A 101 -28.482 11.327 9.442 1.00 22.12 N ATOM 1698 NH2 ARG A 101 -29.681 9.500 8.741 1.00 10.34 N ATOM 0 H ARG A 101 -22.528 9.730 6.527 1.00 41.31 H new ATOM 0 HA ARG A 101 -23.436 11.948 5.057 1.00 53.03 H new ATOM 0 HB2 ARG A 101 -25.625 10.980 5.388 1.00 1.12 H new ATOM 0 HB3 ARG A 101 -24.480 9.680 5.127 1.00 1.12 H new ATOM 0 HG2 ARG A 101 -25.588 8.798 6.927 1.00 3.12 H new ATOM 0 HG3 ARG A 101 -24.369 9.705 7.800 1.00 3.12 H new ATOM 0 HD2 ARG A 101 -25.980 10.904 8.810 1.00 24.14 H new ATOM 0 HD3 ARG A 101 -26.487 11.534 7.256 1.00 24.14 H new ATOM 0 HE ARG A 101 -27.669 9.019 7.362 1.00 45.42 H new ATOM 0 HH11 ARG A 101 -27.633 11.892 9.413 1.00 22.12 H new ATOM 0 HH12 ARG A 101 -29.259 11.605 10.041 1.00 22.12 H new ATOM 0 HH21 ARG A 101 -29.756 8.657 8.171 1.00 10.34 H new ATOM 0 HH22 ARG A 101 -30.457 9.780 9.341 1.00 10.34 H new ATOM 1712 N HIS A 102 -23.743 12.166 8.317 1.00 72.00 N ATOM 1713 CA HIS A 102 -24.045 13.081 9.412 1.00 32.43 C ATOM 1714 C HIS A 102 -23.138 14.306 9.362 1.00 0.34 C ATOM 1715 O HIS A 102 -23.601 15.439 9.495 1.00 30.34 O ATOM 1716 CB HIS A 102 -23.888 12.370 10.757 1.00 62.53 C ATOM 1717 CG HIS A 102 -24.082 13.271 11.937 1.00 24.42 C ATOM 1718 ND1 HIS A 102 -23.033 13.800 12.660 1.00 34.33 N ATOM 1719 CD2 HIS A 102 -25.211 13.737 12.519 1.00 53.11 C ATOM 1720 CE1 HIS A 102 -23.510 14.551 13.637 1.00 40.13 C ATOM 1721 NE2 HIS A 102 -24.829 14.530 13.573 1.00 51.33 N ATOM 0 H HIS A 102 -23.340 11.276 8.610 1.00 72.00 H new ATOM 0 HA HIS A 102 -25.078 13.411 9.302 1.00 32.43 H new ATOM 0 HB2 HIS A 102 -24.607 11.552 10.813 1.00 62.53 H new ATOM 0 HB3 HIS A 102 -22.894 11.925 10.810 1.00 62.53 H new ATOM 0 HD2 HIS A 102 -26.224 13.525 12.212 1.00 53.11 H new ATOM 0 HE1 HIS A 102 -22.921 15.090 14.364 1.00 40.13 H new ATOM 0 HE2 HIS A 102 -25.461 15.023 14.204 1.00 51.33 H new ATOM 1729 N MET A 103 -21.844 14.071 9.171 1.00 50.33 N ATOM 1730 CA MET A 103 -20.872 15.157 9.103 1.00 35.20 C ATOM 1731 C MET A 103 -21.211 16.120 7.970 1.00 73.35 C ATOM 1732 O MET A 103 -21.167 17.338 8.144 1.00 70.12 O ATOM 1733 CB MET A 103 -19.462 14.596 8.907 1.00 15.34 C ATOM 1734 CG MET A 103 -18.803 14.145 10.200 1.00 33.55 C ATOM 1735 SD MET A 103 -18.308 15.526 11.247 1.00 1.53 S ATOM 1736 CE MET A 103 -18.890 14.966 12.846 1.00 52.12 C ATOM 0 H MET A 103 -21.444 13.139 9.061 1.00 50.33 H new ATOM 0 HA MET A 103 -20.910 15.705 10.045 1.00 35.20 H new ATOM 0 HB2 MET A 103 -19.508 13.752 8.219 1.00 15.34 H new ATOM 0 HB3 MET A 103 -18.839 15.357 8.437 1.00 15.34 H new ATOM 0 HG2 MET A 103 -19.493 13.506 10.751 1.00 33.55 H new ATOM 0 HG3 MET A 103 -17.927 13.540 9.965 1.00 33.55 H new ATOM 0 HE1 MET A 103 -18.656 15.716 13.601 1.00 52.12 H new ATOM 0 HE2 MET A 103 -19.969 14.813 12.808 1.00 52.12 H new ATOM 0 HE3 MET A 103 -18.400 14.027 13.103 1.00 52.12 H new ATOM 1746 N ILE A 104 -21.549 15.566 6.810 1.00 43.12 N ATOM 1747 CA ILE A 104 -21.895 16.377 5.649 1.00 34.31 C ATOM 1748 C ILE A 104 -23.289 16.978 5.795 1.00 0.31 C ATOM 1749 O ILE A 104 -23.578 18.041 5.246 1.00 0.52 O ATOM 1750 CB ILE A 104 -21.838 15.552 4.349 1.00 0.43 C ATOM 1751 CG1 ILE A 104 -22.929 14.480 4.351 1.00 32.12 C ATOM 1752 CG2 ILE A 104 -20.465 14.918 4.184 1.00 1.45 C ATOM 1753 CD1 ILE A 104 -22.953 13.640 3.094 1.00 62.34 C ATOM 0 H ILE A 104 -21.591 14.560 6.649 1.00 43.12 H new ATOM 0 HA ILE A 104 -21.159 17.179 5.593 1.00 34.31 H new ATOM 0 HB ILE A 104 -22.012 16.219 3.505 1.00 0.43 H new ATOM 0 HG12 ILE A 104 -22.784 13.827 5.212 1.00 32.12 H new ATOM 0 HG13 ILE A 104 -23.899 14.961 4.476 1.00 32.12 H new ATOM 0 HG21 ILE A 104 -20.440 14.338 3.261 1.00 1.45 H new ATOM 0 HG22 ILE A 104 -19.706 15.699 4.142 1.00 1.45 H new ATOM 0 HG23 ILE A 104 -20.263 14.261 5.030 1.00 1.45 H new ATOM 0 HD11 ILE A 104 -23.751 12.901 3.165 1.00 62.34 H new ATOM 0 HD12 ILE A 104 -23.129 14.282 2.231 1.00 62.34 H new ATOM 0 HD13 ILE A 104 -21.996 13.131 2.978 1.00 62.34 H new ATOM 1765 N SER A 105 -24.149 16.291 6.540 1.00 1.45 N ATOM 1766 CA SER A 105 -25.514 16.757 6.758 1.00 63.22 C ATOM 1767 C SER A 105 -25.520 18.159 7.360 1.00 73.33 C ATOM 1768 O SER A 105 -26.416 18.957 7.088 1.00 52.40 O ATOM 1769 CB SER A 105 -26.264 15.791 7.677 1.00 1.12 C ATOM 1770 OG SER A 105 -27.030 14.864 6.927 1.00 10.43 O ATOM 0 H SER A 105 -23.925 15.410 7.003 1.00 1.45 H new ATOM 0 HA SER A 105 -26.018 16.794 5.792 1.00 63.22 H new ATOM 0 HB2 SER A 105 -25.552 15.255 8.305 1.00 1.12 H new ATOM 0 HB3 SER A 105 -26.918 16.353 8.344 1.00 1.12 H new ATOM 0 HG SER A 105 -26.453 14.132 6.625 1.00 10.43 H new ATOM 1776 N GLN A 106 -24.514 18.449 8.178 1.00 34.05 N ATOM 1777 CA GLN A 106 -24.404 19.754 8.820 1.00 73.22 C ATOM 1778 C GLN A 106 -24.417 20.873 7.783 1.00 35.45 C ATOM 1779 O GLN A 106 -24.995 21.935 8.011 1.00 31.13 O ATOM 1780 CB GLN A 106 -23.124 19.830 9.653 1.00 21.43 C ATOM 1781 CG GLN A 106 -23.376 19.894 11.151 1.00 22.51 C ATOM 1782 CD GLN A 106 -22.186 19.421 11.964 1.00 53.14 C ATOM 1783 OE1 GLN A 106 -21.497 20.220 12.599 1.00 72.31 O ATOM 1784 NE2 GLN A 106 -21.939 18.117 11.948 1.00 61.42 N ATOM 0 H GLN A 106 -23.764 17.799 8.412 1.00 34.05 H new ATOM 0 HA GLN A 106 -25.264 19.881 9.477 1.00 73.22 H new ATOM 0 HB2 GLN A 106 -22.506 18.960 9.434 1.00 21.43 H new ATOM 0 HB3 GLN A 106 -22.555 20.709 9.351 1.00 21.43 H new ATOM 0 HG2 GLN A 106 -23.618 20.919 11.431 1.00 22.51 H new ATOM 0 HG3 GLN A 106 -24.245 19.283 11.396 1.00 22.51 H new ATOM 0 HE21 GLN A 106 -22.536 17.491 11.408 1.00 61.42 H new ATOM 0 HE22 GLN A 106 -21.152 17.741 12.476 1.00 61.42 H new ATOM 1793 N GLU A 107 -23.777 20.626 6.645 1.00 24.12 N ATOM 1794 CA GLU A 107 -23.714 21.614 5.575 1.00 53.03 C ATOM 1795 C GLU A 107 -24.496 21.142 4.352 1.00 33.13 C ATOM 1796 O GLU A 107 -24.251 21.590 3.233 1.00 4.54 O ATOM 1797 CB GLU A 107 -22.260 21.889 5.188 1.00 24.12 C ATOM 1798 CG GLU A 107 -22.057 23.223 4.489 1.00 31.40 C ATOM 1799 CD GLU A 107 -22.063 24.393 5.453 1.00 51.43 C ATOM 1800 OE1 GLU A 107 -21.784 24.176 6.651 1.00 52.34 O ATOM 1801 OE2 GLU A 107 -22.347 25.526 5.010 1.00 64.23 O ATOM 0 H GLU A 107 -23.295 19.751 6.440 1.00 24.12 H new ATOM 0 HA GLU A 107 -24.165 22.536 5.941 1.00 53.03 H new ATOM 0 HB2 GLU A 107 -21.643 21.861 6.086 1.00 24.12 H new ATOM 0 HB3 GLU A 107 -21.909 21.090 4.535 1.00 24.12 H new ATOM 0 HG2 GLU A 107 -21.110 23.206 3.950 1.00 31.40 H new ATOM 0 HG3 GLU A 107 -22.843 23.364 3.747 1.00 31.40 H new