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= -0.0229 X(o=-0.03,f=-0.4) USER MOD Set 1.2: A 53 TYR OH : rot 150:sc=-0.00741 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= -0.74 USER MOD Set 2.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00726 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc=-0.00571 K(o=-0.0057,f=-1.1) USER MOD Single : A 19 GLN : amide:sc= -0.0366 K(o=-0.037,f=-1.8!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -106:sc= -2.18 (180deg=-5.68!) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.585 (180deg=-1.15) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.4!) USER MOD Single : A 31 CYS SG : rot 130:sc= -1.21 USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= -0.649 (180deg=-1.44!) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.0971 (180deg=-0.806) USER MOD Single : A 35 ASN : amide:sc= -3.52! C(o=-3.5!,f=-4.4!) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -2.4 K(o=-2.4,f=-7.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.057) USER MOD Single : A 50 ASN : amide:sc= -2.73 K(o=-2.7,f=-9.8!) 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= -0.0899 X(o=-0.09,f=-0.15) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0552 X(o=-0.055,f=-0.39) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0737 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.78) USER MOD Single : A 83 SER OG : rot 167:sc= 0.00357 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0608 K(o=-0.061,f=-1.5) USER MOD Single : A 87 GLN : amide:sc=-0.00111 X(o=-0.0011,f=-0.16) USER MOD Single : A 90 SER OG : rot 180:sc= -0.238 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= -0.727 X(o=-0.73,f=-0.95) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PRO A 5 -3.047 7.617 -8.059 1.00 25.21 N ATOM 63 CA PRO A 5 -2.852 7.508 -9.508 1.00 14.52 C ATOM 64 C PRO A 5 -2.180 8.744 -10.097 1.00 31.04 C ATOM 65 O PRO A 5 -1.478 8.660 -11.104 1.00 34.40 O ATOM 66 CB PRO A 5 -4.278 7.367 -10.047 1.00 50.31 C ATOM 67 CG PRO A 5 -5.138 8.016 -9.018 1.00 52.45 C ATOM 68 CD PRO A 5 -4.466 7.763 -7.697 1.00 55.12 C ATOM 0 HA PRO A 5 -2.198 6.677 -9.770 1.00 14.52 H new ATOM 0 HB2 PRO A 5 -4.385 7.854 -11.016 1.00 50.31 H new ATOM 0 HB3 PRO A 5 -4.547 6.320 -10.185 1.00 50.31 H new ATOM 0 HG2 PRO A 5 -5.235 9.085 -9.208 1.00 52.45 H new ATOM 0 HG3 PRO A 5 -6.144 7.598 -9.030 1.00 52.45 H new ATOM 0 HD2 PRO A 5 -4.621 8.589 -7.003 1.00 55.12 H new ATOM 0 HD3 PRO A 5 -4.852 6.865 -7.215 1.00 55.12 H new ATOM 76 N ALA A 6 -2.399 9.891 -9.461 1.00 60.52 N ATOM 77 CA ALA A 6 -1.812 11.143 -9.921 1.00 61.11 C ATOM 78 C ALA A 6 -2.093 11.370 -11.403 1.00 32.25 C ATOM 79 O ALA A 6 -1.304 12.002 -12.105 1.00 45.13 O ATOM 80 CB ALA A 6 -0.313 11.151 -9.659 1.00 71.33 C ATOM 0 H ALA A 6 -2.979 9.978 -8.626 1.00 60.52 H new ATOM 0 HA ALA A 6 -2.272 11.958 -9.362 1.00 61.11 H new ATOM 0 HB1 ALA A 6 0.112 12.092 -10.008 1.00 71.33 H new ATOM 0 HB2 ALA A 6 -0.130 11.044 -8.590 1.00 71.33 H new ATOM 0 HB3 ALA A 6 0.154 10.323 -10.192 1.00 71.33 H new ATOM 86 N LEU A 7 -3.222 10.850 -11.872 1.00 20.12 N ATOM 87 CA LEU A 7 -3.608 10.995 -13.271 1.00 45.23 C ATOM 88 C LEU A 7 -4.730 12.017 -13.424 1.00 21.24 C ATOM 89 O LEU A 7 -4.684 12.876 -14.304 1.00 33.33 O ATOM 90 CB LEU A 7 -4.049 9.646 -13.842 1.00 13.42 C ATOM 91 CG LEU A 7 -3.382 9.220 -15.150 1.00 54.21 C ATOM 92 CD1 LEU A 7 -3.602 10.270 -16.228 1.00 53.21 C ATOM 93 CD2 LEU A 7 -1.896 8.976 -14.936 1.00 43.11 C ATOM 0 H LEU A 7 -3.886 10.324 -11.304 1.00 20.12 H new ATOM 0 HA LEU A 7 -2.740 11.351 -13.826 1.00 45.23 H new ATOM 0 HB2 LEU A 7 -3.858 8.877 -13.093 1.00 13.42 H new ATOM 0 HB3 LEU A 7 -5.127 9.676 -14.000 1.00 13.42 H new ATOM 0 HG LEU A 7 -3.839 8.287 -15.481 1.00 54.21 H new ATOM 0 HD11 LEU A 7 -3.120 9.950 -17.152 1.00 53.21 H new ATOM 0 HD12 LEU A 7 -4.671 10.396 -16.401 1.00 53.21 H new ATOM 0 HD13 LEU A 7 -3.173 11.218 -15.905 1.00 53.21 H new ATOM 0 HD21 LEU A 7 -1.438 8.674 -15.878 1.00 43.11 H new ATOM 0 HD22 LEU A 7 -1.424 9.892 -14.581 1.00 43.11 H new ATOM 0 HD23 LEU A 7 -1.760 8.187 -14.196 1.00 43.11 H new ATOM 105 N GLN A 8 -5.735 11.918 -12.559 1.00 64.21 N ATOM 106 CA GLN A 8 -6.868 12.835 -12.597 1.00 62.42 C ATOM 107 C GLN A 8 -7.207 13.339 -11.199 1.00 11.24 C ATOM 108 O GLN A 8 -8.333 13.181 -10.728 1.00 51.14 O ATOM 109 CB GLN A 8 -8.087 12.147 -13.214 1.00 21.41 C ATOM 110 CG GLN A 8 -7.826 11.571 -14.596 1.00 71.04 C ATOM 111 CD GLN A 8 -9.051 11.618 -15.489 1.00 3.22 C ATOM 112 OE1 GLN A 8 -9.909 10.737 -15.432 1.00 62.10 O ATOM 113 NE2 GLN A 8 -9.139 12.650 -16.320 1.00 4.33 N ATOM 0 H GLN A 8 -5.787 11.213 -11.824 1.00 64.21 H new ATOM 0 HA GLN A 8 -6.591 13.690 -13.214 1.00 62.42 H new ATOM 0 HB2 GLN A 8 -8.416 11.346 -12.552 1.00 21.41 H new ATOM 0 HB3 GLN A 8 -8.905 12.864 -13.277 1.00 21.41 H new ATOM 0 HG2 GLN A 8 -7.015 12.125 -15.069 1.00 71.04 H new ATOM 0 HG3 GLN A 8 -7.492 10.538 -14.498 1.00 71.04 H new ATOM 0 HE21 GLN A 8 -8.404 13.358 -16.334 1.00 4.33 H new ATOM 0 HE22 GLN A 8 -9.941 12.735 -16.944 1.00 4.33 H new ATOM 122 N GLU A 9 -6.225 13.946 -10.539 1.00 52.33 N ATOM 123 CA GLU A 9 -6.421 14.473 -9.194 1.00 21.34 C ATOM 124 C GLU A 9 -5.893 15.900 -9.086 1.00 10.43 C ATOM 125 O GLU A 9 -4.977 16.179 -8.312 1.00 1.31 O ATOM 126 CB GLU A 9 -5.722 13.580 -8.166 1.00 60.22 C ATOM 127 CG GLU A 9 -4.247 13.357 -8.457 1.00 33.04 C ATOM 128 CD GLU A 9 -3.456 12.995 -7.214 1.00 53.25 C ATOM 129 OE1 GLU A 9 -3.809 11.995 -6.556 1.00 72.41 O ATOM 130 OE2 GLU A 9 -2.484 13.713 -6.901 1.00 43.42 O ATOM 0 H GLU A 9 -5.287 14.085 -10.914 1.00 52.33 H new ATOM 0 HA GLU A 9 -7.491 14.484 -8.988 1.00 21.34 H new ATOM 0 HB2 GLU A 9 -5.825 14.028 -7.178 1.00 60.22 H new ATOM 0 HB3 GLU A 9 -6.227 12.615 -8.132 1.00 60.22 H new ATOM 0 HG2 GLU A 9 -4.142 12.561 -9.195 1.00 33.04 H new ATOM 0 HG3 GLU A 9 -3.827 14.260 -8.900 1.00 33.04 H new ATOM 137 N LYS A 10 -6.477 16.802 -9.868 1.00 33.50 N ATOM 138 CA LYS A 10 -6.068 18.201 -9.862 1.00 13.03 C ATOM 139 C LYS A 10 -6.994 19.034 -8.981 1.00 4.41 C ATOM 140 O LYS A 10 -8.004 19.560 -9.449 1.00 41.21 O ATOM 141 CB LYS A 10 -6.064 18.759 -11.287 1.00 32.12 C ATOM 142 CG LYS A 10 -4.691 18.757 -11.937 1.00 14.23 C ATOM 143 CD LYS A 10 -4.789 18.896 -13.447 1.00 31.53 C ATOM 144 CE LYS A 10 -4.107 17.737 -14.158 1.00 2.01 C ATOM 145 NZ LYS A 10 -4.321 17.787 -15.631 1.00 21.23 N ATOM 0 H LYS A 10 -7.236 16.588 -10.515 1.00 33.50 H new ATOM 0 HA LYS A 10 -5.059 18.257 -9.454 1.00 13.03 H new ATOM 0 HB2 LYS A 10 -6.748 18.172 -11.900 1.00 32.12 H new ATOM 0 HB3 LYS A 10 -6.447 19.779 -11.270 1.00 32.12 H new ATOM 0 HG2 LYS A 10 -4.095 19.575 -11.533 1.00 14.23 H new ATOM 0 HG3 LYS A 10 -4.171 17.832 -11.689 1.00 14.23 H new ATOM 0 HD2 LYS A 10 -5.837 18.939 -13.742 1.00 31.53 H new ATOM 0 HD3 LYS A 10 -4.331 19.835 -13.758 1.00 31.53 H new ATOM 0 HE2 LYS A 10 -3.038 17.759 -13.945 1.00 2.01 H new ATOM 0 HE3 LYS A 10 -4.491 16.795 -13.767 1.00 2.01 H new ATOM 0 HZ1 LYS A 10 -3.841 16.981 -16.079 1.00 21.23 H new ATOM 0 HZ2 LYS A 10 -5.340 17.741 -15.836 1.00 21.23 H new ATOM 0 HZ3 LYS A 10 -3.932 18.675 -16.008 1.00 21.23 H new ATOM 159 N ILE A 11 -6.641 19.152 -7.705 1.00 74.31 N ATOM 160 CA ILE A 11 -7.439 19.924 -6.761 1.00 34.53 C ATOM 161 C ILE A 11 -7.486 21.396 -7.155 1.00 74.21 C ATOM 162 O ILE A 11 -6.598 21.892 -7.848 1.00 10.13 O ATOM 163 CB ILE A 11 -6.887 19.805 -5.328 1.00 61.10 C ATOM 164 CG1 ILE A 11 -7.895 20.363 -4.321 1.00 40.14 C ATOM 165 CG2 ILE A 11 -5.556 20.532 -5.212 1.00 2.52 C ATOM 166 CD1 ILE A 11 -7.540 20.064 -2.882 1.00 1.33 C ATOM 0 H ILE A 11 -5.808 18.723 -7.302 1.00 74.31 H new ATOM 0 HA ILE A 11 -8.447 19.511 -6.789 1.00 34.53 H new ATOM 0 HB ILE A 11 -6.724 18.751 -5.103 1.00 61.10 H new ATOM 0 HG12 ILE A 11 -7.967 21.443 -4.452 1.00 40.14 H new ATOM 0 HG13 ILE A 11 -8.880 19.949 -4.537 1.00 40.14 H new ATOM 0 HG21 ILE A 11 -5.178 20.439 -4.194 1.00 2.52 H new ATOM 0 HG22 ILE A 11 -4.840 20.093 -5.906 1.00 2.52 H new ATOM 0 HG23 ILE A 11 -5.695 21.586 -5.453 1.00 2.52 H new ATOM 0 HD11 ILE A 11 -8.298 20.489 -2.224 1.00 1.33 H new ATOM 0 HD12 ILE A 11 -7.496 18.985 -2.735 1.00 1.33 H new ATOM 0 HD13 ILE A 11 -6.570 20.502 -2.648 1.00 1.33 H new ATOM 178 N SER A 12 -8.528 22.090 -6.708 1.00 32.31 N ATOM 179 CA SER A 12 -8.693 23.506 -7.016 1.00 25.54 C ATOM 180 C SER A 12 -8.916 23.714 -8.510 1.00 43.34 C ATOM 181 O SER A 12 -8.026 23.464 -9.325 1.00 11.15 O ATOM 182 CB SER A 12 -7.465 24.295 -6.557 1.00 21.34 C ATOM 183 OG SER A 12 -6.802 23.633 -5.493 1.00 45.14 O ATOM 0 H SER A 12 -9.271 21.695 -6.131 1.00 32.31 H new ATOM 0 HA SER A 12 -9.571 23.870 -6.481 1.00 25.54 H new ATOM 0 HB2 SER A 12 -6.778 24.424 -7.393 1.00 21.34 H new ATOM 0 HB3 SER A 12 -7.768 25.292 -6.237 1.00 21.34 H new ATOM 0 HG SER A 12 -6.020 24.156 -5.219 1.00 45.14 H new ATOM 189 N THR A 13 -10.111 24.175 -8.865 1.00 72.13 N ATOM 190 CA THR A 13 -10.454 24.417 -10.261 1.00 64.31 C ATOM 191 C THR A 13 -10.492 25.910 -10.567 1.00 64.53 C ATOM 192 O THR A 13 -9.585 26.444 -11.205 1.00 53.21 O ATOM 193 CB THR A 13 -11.817 23.796 -10.621 1.00 25.41 C ATOM 194 OG1 THR A 13 -12.574 23.552 -9.430 1.00 43.22 O ATOM 195 CG2 THR A 13 -11.633 22.494 -11.386 1.00 62.31 C ATOM 0 H THR A 13 -10.858 24.388 -8.204 1.00 72.13 H new ATOM 0 HA THR A 13 -9.678 23.945 -10.863 1.00 64.31 H new ATOM 0 HB THR A 13 -12.356 24.499 -11.256 1.00 25.41 H new ATOM 0 HG1 THR A 13 -13.440 23.159 -9.667 1.00 43.22 H new ATOM 0 HG21 THR A 13 -12.609 22.074 -11.629 1.00 62.31 H new ATOM 0 HG22 THR A 13 -11.082 22.687 -12.306 1.00 62.31 H new ATOM 0 HG23 THR A 13 -11.076 21.786 -10.771 1.00 62.31 H new ATOM 203 N GLU A 14 -11.546 26.577 -10.108 1.00 24.32 N ATOM 204 CA GLU A 14 -11.700 28.009 -10.334 1.00 32.13 C ATOM 205 C GLU A 14 -11.019 28.811 -9.229 1.00 23.34 C ATOM 206 O GLU A 14 -10.919 30.036 -9.306 1.00 65.03 O ATOM 207 CB GLU A 14 -13.183 28.379 -10.407 1.00 50.12 C ATOM 208 CG GLU A 14 -13.694 28.567 -11.826 1.00 21.12 C ATOM 209 CD GLU A 14 -14.089 30.001 -12.118 1.00 53.33 C ATOM 210 OE1 GLU A 14 -15.092 30.470 -11.539 1.00 23.31 O ATOM 211 OE2 GLU A 14 -13.397 30.655 -12.926 1.00 52.22 O ATOM 0 H GLU A 14 -12.305 26.149 -9.578 1.00 24.32 H new ATOM 0 HA GLU A 14 -11.224 28.254 -11.283 1.00 32.13 H new ATOM 0 HB2 GLU A 14 -13.768 27.599 -9.919 1.00 50.12 H new ATOM 0 HB3 GLU A 14 -13.347 29.299 -9.846 1.00 50.12 H new ATOM 0 HG2 GLU A 14 -12.922 28.256 -12.530 1.00 21.12 H new ATOM 0 HG3 GLU A 14 -14.554 27.917 -11.988 1.00 21.12 H new ATOM 218 N LEU A 15 -10.552 28.111 -8.200 1.00 53.21 N ATOM 219 CA LEU A 15 -9.880 28.757 -7.078 1.00 33.44 C ATOM 220 C LEU A 15 -10.894 29.324 -6.089 1.00 51.03 C ATOM 221 O LEU A 15 -10.595 29.497 -4.909 1.00 22.44 O ATOM 222 CB LEU A 15 -8.962 29.872 -7.580 1.00 62.24 C ATOM 223 CG LEU A 15 -7.634 30.033 -6.839 1.00 13.41 C ATOM 224 CD1 LEU A 15 -6.695 28.883 -7.168 1.00 55.32 C ATOM 225 CD2 LEU A 15 -6.989 31.367 -7.186 1.00 1.25 C ATOM 0 H LEU A 15 -10.626 27.097 -8.120 1.00 53.21 H new ATOM 0 HA LEU A 15 -9.280 28.005 -6.565 1.00 33.44 H new ATOM 0 HB2 LEU A 15 -8.748 29.692 -8.633 1.00 62.24 H new ATOM 0 HB3 LEU A 15 -9.504 30.816 -7.522 1.00 62.24 H new ATOM 0 HG LEU A 15 -7.833 30.016 -5.768 1.00 13.41 H new ATOM 0 HD11 LEU A 15 -5.756 29.015 -6.631 1.00 55.32 H new ATOM 0 HD12 LEU A 15 -7.154 27.941 -6.868 1.00 55.32 H new ATOM 0 HD13 LEU A 15 -6.501 28.867 -8.240 1.00 55.32 H new ATOM 0 HD21 LEU A 15 -6.045 31.465 -6.650 1.00 1.25 H new ATOM 0 HD22 LEU A 15 -6.803 31.413 -8.259 1.00 1.25 H new ATOM 0 HD23 LEU A 15 -7.656 32.180 -6.898 1.00 1.25 H new ATOM 237 N ASN A 16 -12.095 29.610 -6.581 1.00 14.25 N ATOM 238 CA ASN A 16 -13.155 30.157 -5.740 1.00 24.41 C ATOM 239 C ASN A 16 -14.083 29.051 -5.247 1.00 25.45 C ATOM 240 O ASN A 16 -14.438 29.004 -4.070 1.00 22.23 O ATOM 241 CB ASN A 16 -13.958 31.205 -6.513 1.00 22.24 C ATOM 242 CG ASN A 16 -13.792 32.599 -5.939 1.00 33.34 C ATOM 243 OD1 ASN A 16 -14.709 33.140 -5.321 1.00 1.45 O ATOM 244 ND2 ASN A 16 -12.619 33.186 -6.141 1.00 42.33 N ATOM 0 H ASN A 16 -12.359 29.472 -7.557 1.00 14.25 H new ATOM 0 HA ASN A 16 -12.691 30.630 -4.875 1.00 24.41 H new ATOM 0 HB2 ASN A 16 -13.642 31.204 -7.556 1.00 22.24 H new ATOM 0 HB3 ASN A 16 -15.013 30.933 -6.500 1.00 22.24 H new ATOM 0 HD21 ASN A 16 -12.449 34.124 -5.778 1.00 42.33 H new ATOM 0 HD22 ASN A 16 -11.888 32.699 -6.659 1.00 42.33 H new ATOM 251 N ASN A 17 -14.471 28.162 -6.155 1.00 64.04 N ATOM 252 CA ASN A 17 -15.357 27.056 -5.813 1.00 33.21 C ATOM 253 C ASN A 17 -14.599 25.961 -5.069 1.00 64.34 C ATOM 254 O ASN A 17 -15.198 25.118 -4.402 1.00 74.51 O ATOM 255 CB ASN A 17 -15.999 26.479 -7.077 1.00 11.35 C ATOM 256 CG ASN A 17 -17.125 27.349 -7.602 1.00 1.14 C ATOM 257 OD1 ASN A 17 -17.382 28.433 -7.078 1.00 54.33 O ATOM 258 ND2 ASN A 17 -17.802 26.876 -8.641 1.00 52.13 N ATOM 0 H ASN A 17 -14.185 28.186 -7.134 1.00 64.04 H new ATOM 0 HA ASN A 17 -16.140 27.440 -5.159 1.00 33.21 H new ATOM 0 HB2 ASN A 17 -15.238 26.369 -7.850 1.00 11.35 H new ATOM 0 HB3 ASN A 17 -16.383 25.482 -6.863 1.00 11.35 H new ATOM 0 HD21 ASN A 17 -18.571 27.416 -9.038 1.00 52.13 H new ATOM 0 HD22 ASN A 17 -17.553 25.972 -9.043 1.00 52.13 H new ATOM 265 N LYS A 18 -13.275 25.980 -5.189 1.00 34.14 N ATOM 266 CA LYS A 18 -12.433 24.991 -4.527 1.00 63.21 C ATOM 267 C LYS A 18 -12.765 24.900 -3.041 1.00 64.11 C ATOM 268 O LYS A 18 -12.618 23.843 -2.427 1.00 43.43 O ATOM 269 CB LYS A 18 -10.955 25.345 -4.710 1.00 12.42 C ATOM 270 CG LYS A 18 -10.010 24.407 -3.980 1.00 2.23 C ATOM 271 CD LYS A 18 -9.635 24.948 -2.610 1.00 33.21 C ATOM 272 CE LYS A 18 -8.462 25.912 -2.693 1.00 52.30 C ATOM 273 NZ LYS A 18 -7.194 25.285 -2.229 1.00 31.42 N ATOM 0 H LYS A 18 -12.763 26.670 -5.739 1.00 34.14 H new ATOM 0 HA LYS A 18 -12.627 24.021 -4.984 1.00 63.21 H new ATOM 0 HB2 LYS A 18 -10.716 25.333 -5.773 1.00 12.42 H new ATOM 0 HB3 LYS A 18 -10.787 26.363 -4.357 1.00 12.42 H new ATOM 0 HG2 LYS A 18 -10.479 23.429 -3.870 1.00 2.23 H new ATOM 0 HG3 LYS A 18 -9.108 24.263 -4.575 1.00 2.23 H new ATOM 0 HD2 LYS A 18 -10.494 25.455 -2.171 1.00 33.21 H new ATOM 0 HD3 LYS A 18 -9.381 24.120 -1.948 1.00 33.21 H new ATOM 0 HE2 LYS A 18 -8.344 26.252 -3.722 1.00 52.30 H new ATOM 0 HE3 LYS A 18 -8.673 26.794 -2.088 1.00 52.30 H new ATOM 0 HZ1 LYS A 18 -6.419 25.975 -2.301 1.00 31.42 H new ATOM 0 HZ2 LYS A 18 -7.298 24.983 -1.239 1.00 31.42 H new ATOM 0 HZ3 LYS A 18 -6.978 24.458 -2.822 1.00 31.42 H new ATOM 287 N GLN A 19 -13.213 26.013 -2.470 1.00 54.14 N ATOM 288 CA GLN A 19 -13.567 26.057 -1.056 1.00 44.34 C ATOM 289 C GLN A 19 -14.730 25.117 -0.756 1.00 44.42 C ATOM 290 O GLN A 19 -14.699 24.369 0.221 1.00 74.43 O ATOM 291 CB GLN A 19 -13.930 27.485 -0.644 1.00 25.10 C ATOM 292 CG GLN A 19 -12.727 28.406 -0.516 1.00 63.33 C ATOM 293 CD GLN A 19 -13.112 29.872 -0.516 1.00 23.01 C ATOM 294 OE1 GLN A 19 -14.205 30.239 -0.947 1.00 35.35 O ATOM 295 NE2 GLN A 19 -12.213 30.720 -0.031 1.00 5.21 N ATOM 0 H GLN A 19 -13.340 26.896 -2.964 1.00 54.14 H new ATOM 0 HA GLN A 19 -12.702 25.729 -0.480 1.00 44.34 H new ATOM 0 HB2 GLN A 19 -14.620 27.902 -1.378 1.00 25.10 H new ATOM 0 HB3 GLN A 19 -14.458 27.456 0.309 1.00 25.10 H new ATOM 0 HG2 GLN A 19 -12.193 28.174 0.406 1.00 63.33 H new ATOM 0 HG3 GLN A 19 -12.039 28.215 -1.339 1.00 63.33 H new ATOM 0 HE21 GLN A 19 -11.319 30.372 0.316 1.00 5.21 H new ATOM 0 HE22 GLN A 19 -12.416 31.719 -0.005 1.00 5.21 H new ATOM 304 N TYR A 20 -15.753 25.162 -1.602 1.00 11.24 N ATOM 305 CA TYR A 20 -16.928 24.317 -1.425 1.00 63.42 C ATOM 306 C TYR A 20 -16.598 22.857 -1.724 1.00 54.34 C ATOM 307 O TYR A 20 -16.965 21.960 -0.967 1.00 71.40 O ATOM 308 CB TYR A 20 -18.064 24.791 -2.332 1.00 74.12 C ATOM 309 CG TYR A 20 -19.319 25.173 -1.581 1.00 14.54 C ATOM 310 CD1 TYR A 20 -19.380 26.350 -0.843 1.00 64.24 C ATOM 311 CD2 TYR A 20 -20.444 24.359 -1.607 1.00 33.53 C ATOM 312 CE1 TYR A 20 -20.524 26.703 -0.154 1.00 42.25 C ATOM 313 CE2 TYR A 20 -21.593 24.705 -0.922 1.00 71.31 C ATOM 314 CZ TYR A 20 -21.628 25.878 -0.197 1.00 61.33 C ATOM 315 OH TYR A 20 -22.770 26.225 0.487 1.00 0.31 O ATOM 0 H TYR A 20 -15.792 25.774 -2.417 1.00 11.24 H new ATOM 0 HA TYR A 20 -17.247 24.393 -0.385 1.00 63.42 H new ATOM 0 HB2 TYR A 20 -17.722 25.649 -2.911 1.00 74.12 H new ATOM 0 HB3 TYR A 20 -18.303 24.001 -3.044 1.00 74.12 H new ATOM 0 HD1 TYR A 20 -18.518 27.000 -0.808 1.00 64.24 H new ATOM 0 HD2 TYR A 20 -20.420 23.439 -2.173 1.00 33.53 H new ATOM 0 HE1 TYR A 20 -20.554 27.620 0.415 1.00 42.25 H new ATOM 0 HE2 TYR A 20 -22.459 24.061 -0.954 1.00 71.31 H new ATOM 0 HH TYR A 20 -23.454 25.537 0.352 1.00 0.31 H new ATOM 325 N GLU A 21 -15.903 22.630 -2.835 1.00 34.04 N ATOM 326 CA GLU A 21 -15.524 21.280 -3.235 1.00 33.02 C ATOM 327 C GLU A 21 -14.605 20.643 -2.196 1.00 74.45 C ATOM 328 O GLU A 21 -14.803 19.494 -1.798 1.00 25.11 O ATOM 329 CB GLU A 21 -14.832 21.304 -4.599 1.00 5.02 C ATOM 330 CG GLU A 21 -15.627 22.026 -5.673 1.00 74.11 C ATOM 331 CD GLU A 21 -14.793 22.352 -6.897 1.00 15.32 C ATOM 332 OE1 GLU A 21 -14.032 21.472 -7.349 1.00 32.22 O ATOM 333 OE2 GLU A 21 -14.903 23.489 -7.402 1.00 41.15 O ATOM 0 H GLU A 21 -15.592 23.363 -3.473 1.00 34.04 H new ATOM 0 HA GLU A 21 -16.432 20.681 -3.307 1.00 33.02 H new ATOM 0 HB2 GLU A 21 -13.859 21.784 -4.495 1.00 5.02 H new ATOM 0 HB3 GLU A 21 -14.649 20.279 -4.922 1.00 5.02 H new ATOM 0 HG2 GLU A 21 -16.474 21.408 -5.970 1.00 74.11 H new ATOM 0 HG3 GLU A 21 -16.035 22.949 -5.260 1.00 74.11 H new ATOM 340 N LEU A 22 -13.601 21.396 -1.763 1.00 24.40 N ATOM 341 CA LEU A 22 -12.650 20.905 -0.771 1.00 44.42 C ATOM 342 C LEU A 22 -13.349 20.599 0.549 1.00 33.40 C ATOM 343 O LEU A 22 -12.957 19.683 1.273 1.00 13.54 O ATOM 344 CB LEU A 22 -11.541 21.935 -0.547 1.00 23.14 C ATOM 345 CG LEU A 22 -10.601 21.664 0.629 1.00 60.53 C ATOM 346 CD1 LEU A 22 -9.178 22.072 0.280 1.00 52.11 C ATOM 347 CD2 LEU A 22 -11.078 22.397 1.874 1.00 74.14 C ATOM 0 H LEU A 22 -13.424 22.348 -2.082 1.00 24.40 H new ATOM 0 HA LEU A 22 -12.211 19.982 -1.150 1.00 44.42 H new ATOM 0 HB2 LEU A 22 -10.944 22.000 -1.456 1.00 23.14 H new ATOM 0 HB3 LEU A 22 -12.003 22.911 -0.399 1.00 23.14 H new ATOM 0 HG LEU A 22 -10.610 20.594 0.837 1.00 60.53 H new ATOM 0 HD11 LEU A 22 -8.524 21.872 1.128 1.00 52.11 H new ATOM 0 HD12 LEU A 22 -8.837 21.501 -0.584 1.00 52.11 H new ATOM 0 HD13 LEU A 22 -9.152 23.136 0.045 1.00 52.11 H new ATOM 0 HD21 LEU A 22 -10.397 22.192 2.700 1.00 74.14 H new ATOM 0 HD22 LEU A 22 -11.100 23.469 1.679 1.00 74.14 H new ATOM 0 HD23 LEU A 22 -12.079 22.055 2.136 1.00 74.14 H new ATOM 359 N PHE A 23 -14.388 21.368 0.855 1.00 54.41 N ATOM 360 CA PHE A 23 -15.144 21.178 2.087 1.00 12.34 C ATOM 361 C PHE A 23 -15.763 19.784 2.137 1.00 42.35 C ATOM 362 O PHE A 23 -15.645 19.076 3.136 1.00 3.21 O ATOM 363 CB PHE A 23 -16.240 22.239 2.208 1.00 40.44 C ATOM 364 CG PHE A 23 -16.789 22.380 3.599 1.00 64.32 C ATOM 365 CD1 PHE A 23 -15.996 22.870 4.624 1.00 53.50 C ATOM 366 CD2 PHE A 23 -18.097 22.020 3.881 1.00 4.14 C ATOM 367 CE1 PHE A 23 -16.498 23.001 5.905 1.00 11.22 C ATOM 368 CE2 PHE A 23 -18.604 22.149 5.160 1.00 21.04 C ATOM 369 CZ PHE A 23 -17.803 22.639 6.174 1.00 75.11 C ATOM 0 H PHE A 23 -14.726 22.129 0.266 1.00 54.41 H new ATOM 0 HA PHE A 23 -14.455 21.281 2.925 1.00 12.34 H new ATOM 0 HB2 PHE A 23 -15.841 23.200 1.885 1.00 40.44 H new ATOM 0 HB3 PHE A 23 -17.054 21.987 1.529 1.00 40.44 H new ATOM 0 HD1 PHE A 23 -14.974 23.153 4.420 1.00 53.50 H new ATOM 0 HD2 PHE A 23 -18.727 21.635 3.093 1.00 4.14 H new ATOM 0 HE1 PHE A 23 -15.870 23.386 6.695 1.00 11.22 H new ATOM 0 HE2 PHE A 23 -19.626 21.867 5.367 1.00 21.04 H new ATOM 0 HZ PHE A 23 -18.197 22.739 7.175 1.00 75.11 H new ATOM 379 N MET A 24 -16.423 19.398 1.050 1.00 71.12 N ATOM 380 CA MET A 24 -17.060 18.089 0.968 1.00 32.43 C ATOM 381 C MET A 24 -16.032 17.001 0.675 1.00 63.00 C ATOM 382 O MET A 24 -16.152 15.873 1.153 1.00 74.32 O ATOM 383 CB MET A 24 -18.141 18.090 -0.115 1.00 0.15 C ATOM 384 CG MET A 24 -19.463 18.682 0.347 1.00 20.42 C ATOM 385 SD MET A 24 -20.288 17.659 1.582 1.00 61.31 S ATOM 386 CE MET A 24 -20.687 18.885 2.825 1.00 32.32 C ATOM 0 H MET A 24 -16.531 19.973 0.214 1.00 71.12 H new ATOM 0 HA MET A 24 -17.522 17.877 1.932 1.00 32.43 H new ATOM 0 HB2 MET A 24 -17.781 18.653 -0.976 1.00 0.15 H new ATOM 0 HB3 MET A 24 -18.308 17.067 -0.451 1.00 0.15 H new ATOM 0 HG2 MET A 24 -19.287 19.675 0.762 1.00 20.42 H new ATOM 0 HG3 MET A 24 -20.121 18.808 -0.513 1.00 20.42 H new ATOM 0 HE1 MET A 24 -20.020 18.767 3.679 1.00 32.32 H new ATOM 0 HE2 MET A 24 -20.565 19.883 2.404 1.00 32.32 H new ATOM 0 HE3 MET A 24 -21.719 18.752 3.149 1.00 32.32 H new ATOM 396 N LYS A 25 -15.020 17.347 -0.114 1.00 21.12 N ATOM 397 CA LYS A 25 -13.969 16.401 -0.471 1.00 33.15 C ATOM 398 C LYS A 25 -13.156 16.002 0.757 1.00 52.40 C ATOM 399 O LYS A 25 -12.761 14.846 0.903 1.00 62.24 O ATOM 400 CB LYS A 25 -13.047 17.007 -1.531 1.00 55.12 C ATOM 401 CG LYS A 25 -11.875 16.115 -1.900 1.00 30.31 C ATOM 402 CD LYS A 25 -10.622 16.492 -1.127 1.00 53.22 C ATOM 403 CE LYS A 25 -10.089 17.849 -1.559 1.00 44.35 C ATOM 404 NZ LYS A 25 -9.556 18.628 -0.408 1.00 0.44 N ATOM 0 H LYS A 25 -14.905 18.276 -0.519 1.00 21.12 H new ATOM 0 HA LYS A 25 -14.442 15.507 -0.878 1.00 33.15 H new ATOM 0 HB2 LYS A 25 -13.629 17.218 -2.428 1.00 55.12 H new ATOM 0 HB3 LYS A 25 -12.666 17.961 -1.166 1.00 55.12 H new ATOM 0 HG2 LYS A 25 -12.130 15.075 -1.696 1.00 30.31 H new ATOM 0 HG3 LYS A 25 -11.681 16.192 -2.970 1.00 30.31 H new ATOM 0 HD2 LYS A 25 -10.843 16.509 -0.060 1.00 53.22 H new ATOM 0 HD3 LYS A 25 -9.855 15.733 -1.281 1.00 53.22 H new ATOM 0 HE2 LYS A 25 -9.301 17.711 -2.300 1.00 44.35 H new ATOM 0 HE3 LYS A 25 -10.885 18.415 -2.043 1.00 44.35 H new ATOM 0 HZ1 LYS A 25 -9.488 19.632 -0.670 1.00 0.44 H new ATOM 0 HZ2 LYS A 25 -10.195 18.526 0.406 1.00 0.44 H new ATOM 0 HZ3 LYS A 25 -8.613 18.271 -0.155 1.00 0.44 H new ATOM 418 N SER A 26 -12.911 16.967 1.638 1.00 55.21 N ATOM 419 CA SER A 26 -12.144 16.717 2.852 1.00 24.10 C ATOM 420 C SER A 26 -12.940 15.860 3.832 1.00 50.53 C ATOM 421 O SER A 26 -12.381 15.016 4.533 1.00 11.34 O ATOM 422 CB SER A 26 -11.752 18.039 3.515 1.00 43.04 C ATOM 423 OG SER A 26 -10.719 17.847 4.465 1.00 23.43 O ATOM 0 H SER A 26 -13.233 17.929 1.533 1.00 55.21 H new ATOM 0 HA SER A 26 -11.240 16.176 2.575 1.00 24.10 H new ATOM 0 HB2 SER A 26 -11.424 18.747 2.754 1.00 43.04 H new ATOM 0 HB3 SER A 26 -12.623 18.477 4.003 1.00 43.04 H new ATOM 0 HG SER A 26 -10.486 18.707 4.873 1.00 23.43 H new ATOM 429 N LEU A 27 -14.249 16.084 3.874 1.00 22.12 N ATOM 430 CA LEU A 27 -15.125 15.333 4.768 1.00 45.44 C ATOM 431 C LEU A 27 -15.271 13.889 4.299 1.00 14.14 C ATOM 432 O LEU A 27 -15.090 12.953 5.078 1.00 63.40 O ATOM 433 CB LEU A 27 -16.500 15.999 4.844 1.00 44.21 C ATOM 434 CG LEU A 27 -16.577 17.288 5.663 1.00 22.35 C ATOM 435 CD1 LEU A 27 -17.994 17.838 5.660 1.00 14.31 C ATOM 436 CD2 LEU A 27 -16.101 17.043 7.088 1.00 12.01 C ATOM 0 H LEU A 27 -14.727 16.779 3.300 1.00 22.12 H new ATOM 0 HA LEU A 27 -14.675 15.329 5.761 1.00 45.44 H new ATOM 0 HB2 LEU A 27 -16.833 16.217 3.829 1.00 44.21 H new ATOM 0 HB3 LEU A 27 -17.206 15.283 5.264 1.00 44.21 H new ATOM 0 HG LEU A 27 -15.921 18.028 5.204 1.00 22.35 H new ATOM 0 HD11 LEU A 27 -18.030 18.755 6.248 1.00 14.31 H new ATOM 0 HD12 LEU A 27 -18.299 18.051 4.636 1.00 14.31 H new ATOM 0 HD13 LEU A 27 -18.671 17.102 6.095 1.00 14.31 H new ATOM 0 HD21 LEU A 27 -16.162 17.971 7.657 1.00 12.01 H new ATOM 0 HD22 LEU A 27 -16.731 16.287 7.557 1.00 12.01 H new ATOM 0 HD23 LEU A 27 -15.068 16.695 7.072 1.00 12.01 H new ATOM 448 N ILE A 28 -15.599 13.717 3.023 1.00 32.34 N ATOM 449 CA ILE A 28 -15.767 12.387 2.451 1.00 22.43 C ATOM 450 C ILE A 28 -14.476 11.580 2.548 1.00 73.02 C ATOM 451 O ILE A 28 -14.490 10.414 2.941 1.00 11.10 O ATOM 452 CB ILE A 28 -16.204 12.459 0.976 1.00 14.24 C ATOM 453 CG1 ILE A 28 -16.257 11.056 0.368 1.00 45.54 C ATOM 454 CG2 ILE A 28 -15.258 13.351 0.186 1.00 20.44 C ATOM 455 CD1 ILE A 28 -17.191 10.116 1.096 1.00 53.14 C ATOM 0 H ILE A 28 -15.754 14.482 2.366 1.00 32.34 H new ATOM 0 HA ILE A 28 -16.547 11.892 3.029 1.00 22.43 H new ATOM 0 HB ILE A 28 -17.203 12.892 0.929 1.00 14.24 H new ATOM 0 HG12 ILE A 28 -16.570 11.132 -0.673 1.00 45.54 H new ATOM 0 HG13 ILE A 28 -15.253 10.631 0.369 1.00 45.54 H new ATOM 0 HG21 ILE A 28 -15.580 13.392 -0.855 1.00 20.44 H new ATOM 0 HG22 ILE A 28 -15.268 14.356 0.608 1.00 20.44 H new ATOM 0 HG23 ILE A 28 -14.248 12.945 0.237 1.00 20.44 H new ATOM 0 HD11 ILE A 28 -17.177 9.141 0.610 1.00 53.14 H new ATOM 0 HD12 ILE A 28 -16.866 10.010 2.131 1.00 53.14 H new ATOM 0 HD13 ILE A 28 -18.204 10.519 1.073 1.00 53.14 H new ATOM 467 N GLU A 29 -13.363 12.210 2.188 1.00 45.22 N ATOM 468 CA GLU A 29 -12.063 11.550 2.235 1.00 10.52 C ATOM 469 C GLU A 29 -11.663 11.240 3.675 1.00 62.44 C ATOM 470 O GLU A 29 -11.013 10.230 3.945 1.00 13.51 O ATOM 471 CB GLU A 29 -10.997 12.428 1.576 1.00 64.42 C ATOM 472 CG GLU A 29 -10.559 13.602 2.434 1.00 5.24 C ATOM 473 CD GLU A 29 -9.509 14.461 1.756 1.00 0.12 C ATOM 474 OE1 GLU A 29 -9.348 14.337 0.524 1.00 43.21 O ATOM 475 OE2 GLU A 29 -8.849 15.257 2.457 1.00 71.52 O ATOM 0 H GLU A 29 -13.335 13.176 1.861 1.00 45.22 H new ATOM 0 HA GLU A 29 -12.140 10.611 1.687 1.00 10.52 H new ATOM 0 HB2 GLU A 29 -10.127 11.815 1.343 1.00 64.42 H new ATOM 0 HB3 GLU A 29 -11.384 12.805 0.629 1.00 64.42 H new ATOM 0 HG2 GLU A 29 -11.427 14.217 2.673 1.00 5.24 H new ATOM 0 HG3 GLU A 29 -10.163 13.229 3.379 1.00 5.24 H new ATOM 482 N ASN A 30 -12.055 12.115 4.594 1.00 54.40 N ATOM 483 CA ASN A 30 -11.737 11.936 6.006 1.00 71.11 C ATOM 484 C ASN A 30 -12.550 10.793 6.606 1.00 71.33 C ATOM 485 O ASN A 30 -11.998 9.883 7.225 1.00 65.53 O ATOM 486 CB ASN A 30 -12.006 13.228 6.779 1.00 10.41 C ATOM 487 CG ASN A 30 -11.804 13.061 8.273 1.00 41.32 C ATOM 488 OD1 ASN A 30 -12.659 12.513 8.969 1.00 41.43 O ATOM 489 ND2 ASN A 30 -10.668 13.535 8.773 1.00 72.45 N ATOM 0 H ASN A 30 -12.594 12.956 4.387 1.00 54.40 H new ATOM 0 HA ASN A 30 -10.679 11.687 6.085 1.00 71.11 H new ATOM 0 HB2 ASN A 30 -11.345 14.013 6.411 1.00 10.41 H new ATOM 0 HB3 ASN A 30 -13.028 13.557 6.588 1.00 10.41 H new ATOM 0 HD21 ASN A 30 -10.476 13.452 9.771 1.00 72.45 H new ATOM 0 HD22 ASN A 30 -9.988 13.982 8.158 1.00 72.45 H new ATOM 496 N CYS A 31 -13.864 10.846 6.417 1.00 1.35 N ATOM 497 CA CYS A 31 -14.754 9.815 6.940 1.00 41.50 C ATOM 498 C CYS A 31 -14.483 8.473 6.270 1.00 60.54 C ATOM 499 O CYS A 31 -14.397 7.440 6.935 1.00 52.11 O ATOM 500 CB CYS A 31 -16.214 10.219 6.730 1.00 71.30 C ATOM 501 SG CYS A 31 -16.800 11.491 7.873 1.00 34.35 S ATOM 0 H CYS A 31 -14.337 11.591 5.906 1.00 1.35 H new ATOM 0 HA CYS A 31 -14.563 9.712 8.008 1.00 41.50 H new ATOM 0 HB2 CYS A 31 -16.337 10.579 5.709 1.00 71.30 H new ATOM 0 HB3 CYS A 31 -16.843 9.335 6.834 1.00 71.30 H new ATOM 0 HG CYS A 31 -17.378 12.444 7.203 1.00 34.35 H new ATOM 507 N LYS A 32 -14.351 8.493 4.948 1.00 44.13 N ATOM 508 CA LYS A 32 -14.090 7.278 4.185 1.00 20.13 C ATOM 509 C LYS A 32 -12.768 6.644 4.607 1.00 34.23 C ATOM 510 O LYS A 32 -12.637 5.420 4.638 1.00 2.04 O ATOM 511 CB LYS A 32 -14.064 7.587 2.687 1.00 40.02 C ATOM 512 CG LYS A 32 -13.566 6.431 1.836 1.00 53.51 C ATOM 513 CD LYS A 32 -13.488 6.814 0.367 1.00 23.33 C ATOM 514 CE LYS A 32 -12.149 6.421 -0.240 1.00 15.41 C ATOM 515 NZ LYS A 32 -12.240 6.246 -1.716 1.00 11.41 N ATOM 0 H LYS A 32 -14.421 9.339 4.382 1.00 44.13 H new ATOM 0 HA LYS A 32 -14.894 6.571 4.390 1.00 20.13 H new ATOM 0 HB2 LYS A 32 -15.069 7.859 2.363 1.00 40.02 H new ATOM 0 HB3 LYS A 32 -13.427 8.455 2.515 1.00 40.02 H new ATOM 0 HG2 LYS A 32 -12.581 6.119 2.185 1.00 53.51 H new ATOM 0 HG3 LYS A 32 -14.232 5.576 1.955 1.00 53.51 H new ATOM 0 HD2 LYS A 32 -14.294 6.326 -0.181 1.00 23.33 H new ATOM 0 HD3 LYS A 32 -13.635 7.889 0.262 1.00 23.33 H new ATOM 0 HE2 LYS A 32 -11.407 7.186 -0.010 1.00 15.41 H new ATOM 0 HE3 LYS A 32 -11.802 5.493 0.215 1.00 15.41 H new ATOM 0 HZ1 LYS A 32 -11.546 5.535 -2.025 1.00 11.41 H new ATOM 0 HZ2 LYS A 32 -13.197 5.928 -1.970 1.00 11.41 H new ATOM 0 HZ3 LYS A 32 -12.040 7.152 -2.186 1.00 11.41 H new ATOM 529 N LYS A 33 -11.792 7.484 4.933 1.00 62.20 N ATOM 530 CA LYS A 33 -10.481 7.006 5.356 1.00 3.42 C ATOM 531 C LYS A 33 -10.564 6.321 6.716 1.00 32.13 C ATOM 532 O LYS A 33 -9.713 5.502 7.062 1.00 3.05 O ATOM 533 CB LYS A 33 -9.488 8.169 5.419 1.00 3.14 C ATOM 534 CG LYS A 33 -8.732 8.395 4.121 1.00 22.44 C ATOM 535 CD LYS A 33 -7.246 8.121 4.286 1.00 13.15 C ATOM 536 CE LYS A 33 -6.548 9.258 5.018 1.00 72.43 C ATOM 537 NZ LYS A 33 -6.340 8.945 6.459 1.00 63.24 N ATOM 0 H LYS A 33 -11.884 8.500 4.912 1.00 62.20 H new ATOM 0 HA LYS A 33 -10.134 6.278 4.623 1.00 3.42 H new ATOM 0 HB2 LYS A 33 -10.025 9.081 5.680 1.00 3.14 H new ATOM 0 HB3 LYS A 33 -8.772 7.981 6.219 1.00 3.14 H new ATOM 0 HG2 LYS A 33 -9.138 7.747 3.345 1.00 22.44 H new ATOM 0 HG3 LYS A 33 -8.879 9.422 3.788 1.00 22.44 H new ATOM 0 HD2 LYS A 33 -7.105 7.191 4.837 1.00 13.15 H new ATOM 0 HD3 LYS A 33 -6.789 7.983 3.306 1.00 13.15 H new ATOM 0 HE2 LYS A 33 -5.585 9.456 4.547 1.00 72.43 H new ATOM 0 HE3 LYS A 33 -7.141 10.168 4.926 1.00 72.43 H new ATOM 0 HZ1 LYS A 33 -5.524 9.481 6.816 1.00 63.24 H new ATOM 0 HZ2 LYS A 33 -7.190 9.208 6.998 1.00 63.24 H new ATOM 0 HZ3 LYS A 33 -6.161 7.927 6.571 1.00 63.24 H new ATOM 551 N ARG A 34 -11.596 6.660 7.482 1.00 20.04 N ATOM 552 CA ARG A 34 -11.790 6.077 8.804 1.00 33.33 C ATOM 553 C ARG A 34 -12.557 4.761 8.710 1.00 20.35 C ATOM 554 O ARG A 34 -12.902 4.158 9.726 1.00 4.21 O ATOM 555 CB ARG A 34 -12.542 7.053 9.711 1.00 44.53 C ATOM 556 CG ARG A 34 -11.727 7.526 10.904 1.00 54.41 C ATOM 557 CD ARG A 34 -11.478 9.026 10.849 1.00 35.45 C ATOM 558 NE ARG A 34 -10.640 9.482 11.955 1.00 60.32 N ATOM 559 CZ ARG A 34 -10.412 10.762 12.224 1.00 4.21 C ATOM 560 NH1 ARG A 34 -10.957 11.709 11.472 1.00 24.34 N ATOM 561 NH2 ARG A 34 -9.637 11.098 13.248 1.00 41.33 N ATOM 0 H ARG A 34 -12.310 7.335 7.210 1.00 20.04 H new ATOM 0 HA ARG A 34 -10.808 5.877 9.232 1.00 33.33 H new ATOM 0 HB2 ARG A 34 -12.848 7.919 9.124 1.00 44.53 H new ATOM 0 HB3 ARG A 34 -13.453 6.574 10.071 1.00 44.53 H new ATOM 0 HG2 ARG A 34 -12.252 7.277 11.826 1.00 54.41 H new ATOM 0 HG3 ARG A 34 -10.774 6.998 10.927 1.00 54.41 H new ATOM 0 HD2 ARG A 34 -11.000 9.280 9.903 1.00 35.45 H new ATOM 0 HD3 ARG A 34 -12.432 9.553 10.875 1.00 35.45 H new ATOM 0 HE ARG A 34 -10.206 8.779 12.553 1.00 60.32 H new ATOM 0 HH11 ARG A 34 -11.553 11.455 10.684 1.00 24.34 H new ATOM 0 HH12 ARG A 34 -10.780 12.691 11.681 1.00 24.34 H new ATOM 0 HH21 ARG A 34 -9.216 10.373 13.829 1.00 41.33 H new ATOM 0 HH22 ARG A 34 -9.462 12.082 13.454 1.00 41.33 H new ATOM 575 N ASN A 35 -12.821 4.322 7.484 1.00 24.51 N ATOM 576 CA ASN A 35 -13.548 3.078 7.257 1.00 25.45 C ATOM 577 C ASN A 35 -12.700 2.089 6.462 1.00 1.42 C ATOM 578 O ASN A 35 -12.475 0.960 6.896 1.00 64.01 O ATOM 579 CB ASN A 35 -14.857 3.356 6.516 1.00 21.54 C ATOM 580 CG ASN A 35 -15.913 2.303 6.793 1.00 23.33 C ATOM 581 OD1 ASN A 35 -16.453 2.225 7.897 1.00 73.04 O ATOM 582 ND2 ASN A 35 -16.211 1.486 5.790 1.00 61.23 N ATOM 0 H ASN A 35 -12.542 4.809 6.632 1.00 24.51 H new ATOM 0 HA ASN A 35 -13.774 2.636 8.227 1.00 25.45 H new ATOM 0 HB2 ASN A 35 -15.237 4.334 6.810 1.00 21.54 H new ATOM 0 HB3 ASN A 35 -14.663 3.399 5.444 1.00 21.54 H new ATOM 0 HD21 ASN A 35 -16.913 0.757 5.917 1.00 61.23 H new ATOM 0 HD22 ASN A 35 -15.738 1.587 4.892 1.00 61.23 H new ATOM 589 N MET A 36 -12.232 2.523 5.296 1.00 14.53 N ATOM 590 CA MET A 36 -11.408 1.677 4.441 1.00 1.52 C ATOM 591 C MET A 36 -10.400 2.514 3.658 1.00 34.54 C ATOM 592 O MET A 36 -10.550 2.747 2.459 1.00 70.32 O ATOM 593 CB MET A 36 -12.287 0.881 3.475 1.00 32.03 C ATOM 594 CG MET A 36 -11.674 -0.442 3.045 1.00 1.23 C ATOM 595 SD MET A 36 -12.491 -1.863 3.796 1.00 11.11 S ATOM 596 CE MET A 36 -12.001 -3.168 2.672 1.00 73.24 C ATOM 0 H MET A 36 -12.409 3.455 4.922 1.00 14.53 H new ATOM 0 HA MET A 36 -10.861 0.983 5.078 1.00 1.52 H new ATOM 0 HB2 MET A 36 -13.250 0.689 3.947 1.00 32.03 H new ATOM 0 HB3 MET A 36 -12.481 1.487 2.590 1.00 32.03 H new ATOM 0 HG2 MET A 36 -11.729 -0.528 1.960 1.00 1.23 H new ATOM 0 HG3 MET A 36 -10.617 -0.452 3.312 1.00 1.23 H new ATOM 0 HE1 MET A 36 -12.430 -4.114 3.004 1.00 73.24 H new ATOM 0 HE2 MET A 36 -12.361 -2.938 1.669 1.00 73.24 H new ATOM 0 HE3 MET A 36 -10.914 -3.247 2.658 1.00 73.24 H new ATOM 606 N PRO A 37 -9.349 2.976 4.351 1.00 51.51 N ATOM 607 CA PRO A 37 -8.297 3.794 3.740 1.00 65.42 C ATOM 608 C PRO A 37 -7.431 2.995 2.771 1.00 32.43 C ATOM 609 O PRO A 37 -7.399 1.764 2.821 1.00 14.30 O ATOM 610 CB PRO A 37 -7.467 4.258 4.939 1.00 0.34 C ATOM 611 CG PRO A 37 -7.697 3.221 5.984 1.00 51.12 C ATOM 612 CD PRO A 37 -9.107 2.737 5.784 1.00 43.55 C ATOM 0 HA PRO A 37 -8.709 4.611 3.147 1.00 65.42 H new ATOM 0 HB2 PRO A 37 -6.410 4.334 4.683 1.00 0.34 H new ATOM 0 HB3 PRO A 37 -7.784 5.243 5.282 1.00 0.34 H new ATOM 0 HG2 PRO A 37 -6.985 2.402 5.884 1.00 51.12 H new ATOM 0 HG3 PRO A 37 -7.565 3.637 6.983 1.00 51.12 H new ATOM 0 HD2 PRO A 37 -9.210 1.682 6.039 1.00 43.55 H new ATOM 0 HD3 PRO A 37 -9.813 3.286 6.408 1.00 43.55 H new ATOM 620 N LEU A 38 -6.730 3.701 1.891 1.00 33.31 N ATOM 621 CA LEU A 38 -5.863 3.057 0.910 1.00 32.14 C ATOM 622 C LEU A 38 -4.469 3.675 0.927 1.00 22.15 C ATOM 623 O LEU A 38 -3.528 3.092 1.466 1.00 73.32 O ATOM 624 CB LEU A 38 -6.468 3.174 -0.490 1.00 14.34 C ATOM 625 CG LEU A 38 -7.720 2.336 -0.752 1.00 52.31 C ATOM 626 CD1 LEU A 38 -8.970 3.197 -0.649 1.00 21.22 C ATOM 627 CD2 LEU A 38 -7.640 1.671 -2.118 1.00 42.25 C ATOM 0 H LEU A 38 -6.745 4.719 1.836 1.00 33.31 H new ATOM 0 HA LEU A 38 -5.777 2.003 1.175 1.00 32.14 H new ATOM 0 HB2 LEU A 38 -6.711 4.221 -0.673 1.00 14.34 H new ATOM 0 HB3 LEU A 38 -5.707 2.892 -1.218 1.00 14.34 H new ATOM 0 HG LEU A 38 -7.777 1.556 0.007 1.00 52.31 H new ATOM 0 HD11 LEU A 38 -9.851 2.584 -0.838 1.00 21.22 H new ATOM 0 HD12 LEU A 38 -9.035 3.626 0.351 1.00 21.22 H new ATOM 0 HD13 LEU A 38 -8.921 3.999 -1.386 1.00 21.22 H new ATOM 0 HD21 LEU A 38 -8.539 1.079 -2.288 1.00 42.25 H new ATOM 0 HD22 LEU A 38 -7.558 2.435 -2.891 1.00 42.25 H new ATOM 0 HD23 LEU A 38 -6.765 1.022 -2.156 1.00 42.25 H new ATOM 639 N GLN A 39 -4.345 4.859 0.337 1.00 64.14 N ATOM 640 CA GLN A 39 -3.065 5.556 0.286 1.00 51.33 C ATOM 641 C GLN A 39 -3.045 6.729 1.260 1.00 12.23 C ATOM 642 O GLN A 39 -2.249 6.756 2.199 1.00 71.32 O ATOM 643 CB GLN A 39 -2.787 6.053 -1.134 1.00 71.11 C ATOM 644 CG GLN A 39 -1.587 6.981 -1.230 1.00 11.31 C ATOM 645 CD GLN A 39 -1.967 8.442 -1.087 1.00 5.00 C ATOM 646 OE1 GLN A 39 -3.108 8.827 -1.343 1.00 62.13 O ATOM 647 NE2 GLN A 39 -1.009 9.265 -0.676 1.00 11.13 N ATOM 0 H GLN A 39 -5.114 5.356 -0.112 1.00 64.14 H new ATOM 0 HA GLN A 39 -2.285 4.852 0.577 1.00 51.33 H new ATOM 0 HB2 GLN A 39 -2.625 5.194 -1.785 1.00 71.11 H new ATOM 0 HB3 GLN A 39 -3.669 6.574 -1.507 1.00 71.11 H new ATOM 0 HG2 GLN A 39 -0.867 6.719 -0.455 1.00 11.31 H new ATOM 0 HG3 GLN A 39 -1.092 6.830 -2.189 1.00 11.31 H new ATOM 0 HE21 GLN A 39 -0.077 8.903 -0.475 1.00 11.13 H new ATOM 0 HE22 GLN A 39 -1.205 10.259 -0.561 1.00 11.13 H new ATOM 656 N SER A 40 -3.926 7.698 1.031 1.00 32.20 N ATOM 657 CA SER A 40 -4.007 8.876 1.887 1.00 61.14 C ATOM 658 C SER A 40 -5.143 9.793 1.443 1.00 64.24 C ATOM 659 O SER A 40 -6.116 9.990 2.170 1.00 11.03 O ATOM 660 CB SER A 40 -2.681 9.640 1.865 1.00 35.41 C ATOM 661 OG SER A 40 -2.427 10.255 3.116 1.00 30.31 O ATOM 0 H SER A 40 -4.594 7.690 0.260 1.00 32.20 H new ATOM 0 HA SER A 40 -4.209 8.542 2.905 1.00 61.14 H new ATOM 0 HB2 SER A 40 -1.868 8.957 1.620 1.00 35.41 H new ATOM 0 HB3 SER A 40 -2.707 10.398 1.082 1.00 35.41 H new ATOM 0 HG SER A 40 -1.574 10.735 3.077 1.00 30.31 H new ATOM 667 N ILE A 41 -5.010 10.350 0.244 1.00 41.42 N ATOM 668 CA ILE A 41 -6.025 11.246 -0.298 1.00 64.42 C ATOM 669 C ILE A 41 -6.737 10.613 -1.489 1.00 25.30 C ATOM 670 O ILE A 41 -6.266 10.666 -2.625 1.00 62.14 O ATOM 671 CB ILE A 41 -5.414 12.590 -0.735 1.00 43.11 C ATOM 672 CG1 ILE A 41 -4.675 13.244 0.435 1.00 71.33 C ATOM 673 CG2 ILE A 41 -6.497 13.516 -1.268 1.00 60.22 C ATOM 674 CD1 ILE A 41 -5.569 13.559 1.613 1.00 32.14 C ATOM 0 H ILE A 41 -4.210 10.197 -0.370 1.00 41.42 H new ATOM 0 HA ILE A 41 -6.746 11.426 0.500 1.00 64.42 H new ATOM 0 HB ILE A 41 -4.697 12.403 -1.534 1.00 43.11 H new ATOM 0 HG12 ILE A 41 -3.874 12.582 0.764 1.00 71.33 H new ATOM 0 HG13 ILE A 41 -4.206 14.165 0.089 1.00 71.33 H new ATOM 0 HG21 ILE A 41 -6.049 14.462 -1.573 1.00 60.22 H new ATOM 0 HG22 ILE A 41 -6.983 13.051 -2.126 1.00 60.22 H new ATOM 0 HG23 ILE A 41 -7.236 13.699 -0.488 1.00 60.22 H new ATOM 0 HD11 ILE A 41 -4.979 14.020 2.405 1.00 32.14 H new ATOM 0 HD12 ILE A 41 -6.355 14.246 1.300 1.00 32.14 H new ATOM 0 HD13 ILE A 41 -6.018 12.638 1.985 1.00 32.14 H new ATOM 686 N PRO A 42 -7.900 10.000 -1.225 1.00 72.13 N ATOM 687 CA PRO A 42 -8.704 9.347 -2.263 1.00 21.22 C ATOM 688 C PRO A 42 -9.337 10.349 -3.222 1.00 65.24 C ATOM 689 O PRO A 42 -10.207 11.128 -2.835 1.00 64.11 O ATOM 690 CB PRO A 42 -9.785 8.614 -1.465 1.00 15.31 C ATOM 691 CG PRO A 42 -9.901 9.379 -0.192 1.00 2.51 C ATOM 692 CD PRO A 42 -8.521 9.898 0.106 1.00 31.11 C ATOM 0 HA PRO A 42 -8.102 8.692 -2.893 1.00 21.22 H new ATOM 0 HB2 PRO A 42 -10.732 8.597 -2.004 1.00 15.31 H new ATOM 0 HB3 PRO A 42 -9.505 7.577 -1.280 1.00 15.31 H new ATOM 0 HG2 PRO A 42 -10.613 10.198 -0.292 1.00 2.51 H new ATOM 0 HG3 PRO A 42 -10.261 8.741 0.615 1.00 2.51 H new ATOM 0 HD2 PRO A 42 -8.555 10.865 0.609 1.00 31.11 H new ATOM 0 HD3 PRO A 42 -7.968 9.220 0.756 1.00 31.11 H new ATOM 700 N GLU A 43 -8.894 10.322 -4.476 1.00 24.04 N ATOM 701 CA GLU A 43 -9.418 11.229 -5.490 1.00 4.22 C ATOM 702 C GLU A 43 -9.386 10.579 -6.870 1.00 45.21 C ATOM 703 O GLU A 43 -8.444 9.860 -7.207 1.00 55.12 O ATOM 704 CB GLU A 43 -8.612 12.530 -5.508 1.00 22.13 C ATOM 705 CG GLU A 43 -9.251 13.630 -6.338 1.00 45.24 C ATOM 706 CD GLU A 43 -8.896 15.018 -5.840 1.00 34.23 C ATOM 707 OE1 GLU A 43 -9.306 15.365 -4.712 1.00 20.40 O ATOM 708 OE2 GLU A 43 -8.211 15.757 -6.577 1.00 25.55 O ATOM 0 H GLU A 43 -8.174 9.682 -4.813 1.00 24.04 H new ATOM 0 HA GLU A 43 -10.454 11.455 -5.238 1.00 4.22 H new ATOM 0 HB2 GLU A 43 -8.487 12.884 -4.485 1.00 22.13 H new ATOM 0 HB3 GLU A 43 -7.615 12.325 -5.898 1.00 22.13 H new ATOM 0 HG2 GLU A 43 -8.933 13.528 -7.376 1.00 45.24 H new ATOM 0 HG3 GLU A 43 -10.334 13.509 -6.323 1.00 45.24 H new ATOM 715 N ILE A 44 -10.420 10.837 -7.663 1.00 40.11 N ATOM 716 CA ILE A 44 -10.510 10.278 -9.006 1.00 53.12 C ATOM 717 C ILE A 44 -11.291 11.202 -9.935 1.00 32.22 C ATOM 718 O ILE A 44 -12.471 11.470 -9.712 1.00 71.04 O ATOM 719 CB ILE A 44 -11.182 8.892 -8.995 1.00 50.32 C ATOM 720 CG1 ILE A 44 -10.307 7.883 -8.249 1.00 12.24 C ATOM 721 CG2 ILE A 44 -11.448 8.421 -10.417 1.00 42.22 C ATOM 722 CD1 ILE A 44 -8.982 7.614 -8.927 1.00 32.20 C ATOM 0 H ILE A 44 -11.207 11.429 -7.399 1.00 40.11 H new ATOM 0 HA ILE A 44 -9.489 10.175 -9.374 1.00 53.12 H new ATOM 0 HB ILE A 44 -12.137 8.971 -8.475 1.00 50.32 H new ATOM 0 HG12 ILE A 44 -10.121 8.251 -7.240 1.00 12.24 H new ATOM 0 HG13 ILE A 44 -10.852 6.944 -8.150 1.00 12.24 H new ATOM 0 HG21 ILE A 44 -11.923 7.440 -10.393 1.00 42.22 H new ATOM 0 HG22 ILE A 44 -12.106 9.131 -10.918 1.00 42.22 H new ATOM 0 HG23 ILE A 44 -10.506 8.354 -10.960 1.00 42.22 H new ATOM 0 HD11 ILE A 44 -8.415 6.890 -8.343 1.00 32.20 H new ATOM 0 HD12 ILE A 44 -9.159 7.216 -9.926 1.00 32.20 H new ATOM 0 HD13 ILE A 44 -8.416 8.543 -9.002 1.00 32.20 H new ATOM 734 N GLY A 45 -10.624 11.685 -10.979 1.00 20.14 N ATOM 735 CA GLY A 45 -11.272 12.572 -11.927 1.00 4.11 C ATOM 736 C GLY A 45 -10.943 14.030 -11.674 1.00 52.23 C ATOM 737 O GLY A 45 -10.039 14.586 -12.296 1.00 53.42 O ATOM 0 H GLY A 45 -9.647 11.478 -11.185 1.00 20.14 H new ATOM 0 HA2 GLY A 45 -10.966 12.304 -12.938 1.00 4.11 H new ATOM 0 HA3 GLY A 45 -12.352 12.431 -11.872 1.00 4.11 H new ATOM 741 N ASN A 46 -11.681 14.651 -10.760 1.00 3.45 N ATOM 742 CA ASN A 46 -11.464 16.055 -10.428 1.00 34.02 C ATOM 743 C ASN A 46 -12.443 16.517 -9.352 1.00 61.21 C ATOM 744 O ASN A 46 -13.033 17.592 -9.456 1.00 3.43 O ATOM 745 CB ASN A 46 -11.615 16.925 -11.677 1.00 42.03 C ATOM 746 CG ASN A 46 -10.575 18.027 -11.743 1.00 70.12 C ATOM 747 OD1 ASN A 46 -9.374 17.760 -11.794 1.00 52.31 O ATOM 748 ND2 ASN A 46 -11.033 19.273 -11.742 1.00 52.32 N ATOM 0 H ASN A 46 -12.434 14.205 -10.236 1.00 3.45 H new ATOM 0 HA ASN A 46 -10.450 16.159 -10.041 1.00 34.02 H new ATOM 0 HB2 ASN A 46 -11.533 16.298 -12.565 1.00 42.03 H new ATOM 0 HB3 ASN A 46 -12.611 17.368 -11.690 1.00 42.03 H new ATOM 0 HD21 ASN A 46 -10.381 20.056 -11.785 1.00 52.32 H new ATOM 0 HD22 ASN A 46 -12.037 19.447 -11.699 1.00 52.32 H new ATOM 755 N ARG A 47 -12.609 15.696 -8.320 1.00 15.41 N ATOM 756 CA ARG A 47 -13.517 16.020 -7.225 1.00 44.04 C ATOM 757 C ARG A 47 -14.959 16.092 -7.718 1.00 0.11 C ATOM 758 O ARG A 47 -15.344 17.035 -8.410 1.00 61.54 O ATOM 759 CB ARG A 47 -13.119 17.350 -6.582 1.00 32.33 C ATOM 760 CG ARG A 47 -12.397 17.192 -5.254 1.00 32.44 C ATOM 761 CD ARG A 47 -11.016 17.826 -5.292 1.00 3.25 C ATOM 762 NE ARG A 47 -11.061 19.207 -5.764 1.00 3.54 N ATOM 763 CZ ARG A 47 -11.559 20.212 -5.051 1.00 25.21 C ATOM 764 NH1 ARG A 47 -12.051 19.990 -3.840 1.00 63.20 N ATOM 765 NH2 ARG A 47 -11.564 21.442 -5.549 1.00 71.31 N ATOM 0 H ARG A 47 -12.127 14.803 -8.219 1.00 15.41 H new ATOM 0 HA ARG A 47 -13.446 15.228 -6.480 1.00 44.04 H new ATOM 0 HB2 ARG A 47 -12.478 17.900 -7.271 1.00 32.33 H new ATOM 0 HB3 ARG A 47 -14.014 17.953 -6.430 1.00 32.33 H new ATOM 0 HG2 ARG A 47 -12.987 17.651 -4.461 1.00 32.44 H new ATOM 0 HG3 ARG A 47 -12.306 16.133 -5.012 1.00 32.44 H new ATOM 0 HD2 ARG A 47 -10.577 17.798 -4.295 1.00 3.25 H new ATOM 0 HD3 ARG A 47 -10.366 17.241 -5.943 1.00 3.25 H new ATOM 0 HE ARG A 47 -10.690 19.412 -6.692 1.00 3.54 H new ATOM 0 HH11 ARG A 47 -12.048 19.046 -3.453 1.00 63.20 H new ATOM 0 HH12 ARG A 47 -12.433 20.763 -3.295 1.00 63.20 H new ATOM 0 HH21 ARG A 47 -11.185 21.617 -6.480 1.00 71.31 H new ATOM 0 HH22 ARG A 47 -11.946 22.213 -5.001 1.00 71.31 H new ATOM 779 N LYS A 48 -15.753 15.090 -7.356 1.00 62.25 N ATOM 780 CA LYS A 48 -17.153 15.038 -7.760 1.00 10.30 C ATOM 781 C LYS A 48 -18.037 14.591 -6.600 1.00 54.24 C ATOM 782 O LYS A 48 -19.224 14.317 -6.783 1.00 21.24 O ATOM 783 CB LYS A 48 -17.329 14.087 -8.946 1.00 22.13 C ATOM 784 CG LYS A 48 -17.272 14.781 -10.296 1.00 33.53 C ATOM 785 CD LYS A 48 -15.839 15.009 -10.746 1.00 31.31 C ATOM 786 CE LYS A 48 -15.700 14.869 -12.254 1.00 42.41 C ATOM 787 NZ LYS A 48 -14.471 14.117 -12.630 1.00 40.15 N ATOM 0 H LYS A 48 -15.450 14.302 -6.783 1.00 62.25 H new ATOM 0 HA LYS A 48 -17.456 16.041 -8.060 1.00 10.30 H new ATOM 0 HB2 LYS A 48 -16.553 13.323 -8.907 1.00 22.13 H new ATOM 0 HB3 LYS A 48 -18.286 13.574 -8.851 1.00 22.13 H new ATOM 0 HG2 LYS A 48 -17.796 14.179 -11.038 1.00 33.53 H new ATOM 0 HG3 LYS A 48 -17.792 15.737 -10.237 1.00 33.53 H new ATOM 0 HD2 LYS A 48 -15.514 16.004 -10.440 1.00 31.31 H new ATOM 0 HD3 LYS A 48 -15.183 14.293 -10.251 1.00 31.31 H new ATOM 0 HE2 LYS A 48 -16.575 14.357 -12.653 1.00 42.41 H new ATOM 0 HE3 LYS A 48 -15.674 15.859 -12.710 1.00 42.41 H new ATOM 0 HZ1 LYS A 48 -14.489 13.910 -13.649 1.00 40.15 H new ATOM 0 HZ2 LYS A 48 -13.632 14.690 -12.407 1.00 40.15 H new ATOM 0 HZ3 LYS A 48 -14.433 13.225 -12.097 1.00 40.15 H new ATOM 801 N ILE A 49 -17.453 14.522 -5.409 1.00 62.42 N ATOM 802 CA ILE A 49 -18.189 14.111 -4.220 1.00 72.53 C ATOM 803 C ILE A 49 -18.897 15.297 -3.575 1.00 32.33 C ATOM 804 O ILE A 49 -19.655 15.135 -2.619 1.00 41.11 O ATOM 805 CB ILE A 49 -17.260 13.454 -3.182 1.00 14.12 C ATOM 806 CG1 ILE A 49 -16.327 12.451 -3.862 1.00 60.33 C ATOM 807 CG2 ILE A 49 -18.079 12.772 -2.096 1.00 3.24 C ATOM 808 CD1 ILE A 49 -14.961 13.016 -4.181 1.00 4.35 C ATOM 0 H ILE A 49 -16.472 14.745 -5.242 1.00 62.42 H new ATOM 0 HA ILE A 49 -18.931 13.381 -4.544 1.00 72.53 H new ATOM 0 HB ILE A 49 -16.651 14.230 -2.718 1.00 14.12 H new ATOM 0 HG12 ILE A 49 -16.209 11.581 -3.216 1.00 60.33 H new ATOM 0 HG13 ILE A 49 -16.792 12.103 -4.784 1.00 60.33 H new ATOM 0 HG21 ILE A 49 -17.409 12.312 -1.370 1.00 3.24 H new ATOM 0 HG22 ILE A 49 -18.706 13.510 -1.595 1.00 3.24 H new ATOM 0 HG23 ILE A 49 -18.710 12.005 -2.544 1.00 3.24 H new ATOM 0 HD11 ILE A 49 -14.353 12.249 -4.662 1.00 4.35 H new ATOM 0 HD12 ILE A 49 -15.067 13.868 -4.852 1.00 4.35 H new ATOM 0 HD13 ILE A 49 -14.476 13.338 -3.259 1.00 4.35 H new ATOM 820 N ASN A 50 -18.646 16.489 -4.105 1.00 42.21 N ATOM 821 CA ASN A 50 -19.260 17.704 -3.581 1.00 74.43 C ATOM 822 C ASN A 50 -20.725 17.795 -3.998 1.00 13.23 C ATOM 823 O ASN A 50 -21.115 17.290 -5.051 1.00 55.22 O ATOM 824 CB ASN A 50 -18.501 18.937 -4.073 1.00 2.41 C ATOM 825 CG ASN A 50 -18.898 20.196 -3.326 1.00 43.33 C ATOM 826 OD1 ASN A 50 -19.204 20.154 -2.135 1.00 3.14 O ATOM 827 ND2 ASN A 50 -18.894 21.325 -4.026 1.00 75.10 N ATOM 0 H ASN A 50 -18.022 16.640 -4.897 1.00 42.21 H new ATOM 0 HA ASN A 50 -19.211 17.666 -2.493 1.00 74.43 H new ATOM 0 HB2 ASN A 50 -17.430 18.771 -3.957 1.00 2.41 H new ATOM 0 HB3 ASN A 50 -18.689 19.075 -5.138 1.00 2.41 H new ATOM 0 HD21 ASN A 50 -19.152 22.204 -3.577 1.00 75.10 H new ATOM 0 HD22 ASN A 50 -18.633 21.313 -5.012 1.00 75.10 H new ATOM 834 N LEU A 51 -21.532 18.443 -3.164 1.00 60.04 N ATOM 835 CA LEU A 51 -22.955 18.602 -3.446 1.00 4.14 C ATOM 836 C LEU A 51 -23.177 19.594 -4.583 1.00 33.21 C ATOM 837 O LEU A 51 -24.230 19.595 -5.222 1.00 44.31 O ATOM 838 CB LEU A 51 -23.693 19.073 -2.191 1.00 61.23 C ATOM 839 CG LEU A 51 -24.686 18.081 -1.585 1.00 22.42 C ATOM 840 CD1 LEU A 51 -25.832 17.815 -2.549 1.00 3.41 C ATOM 841 CD2 LEU A 51 -23.984 16.781 -1.217 1.00 52.32 C ATOM 0 H LEU A 51 -21.226 18.866 -2.288 1.00 60.04 H new ATOM 0 HA LEU A 51 -23.351 17.634 -3.752 1.00 4.14 H new ATOM 0 HB2 LEU A 51 -22.953 19.325 -1.432 1.00 61.23 H new ATOM 0 HB3 LEU A 51 -24.229 19.991 -2.432 1.00 61.23 H new ATOM 0 HG LEU A 51 -25.098 18.519 -0.676 1.00 22.42 H new ATOM 0 HD11 LEU A 51 -26.528 17.107 -2.100 1.00 3.41 H new ATOM 0 HD12 LEU A 51 -26.352 18.749 -2.763 1.00 3.41 H new ATOM 0 HD13 LEU A 51 -25.438 17.399 -3.476 1.00 3.41 H new ATOM 0 HD21 LEU A 51 -24.706 16.087 -0.787 1.00 52.32 H new ATOM 0 HD22 LEU A 51 -23.544 16.339 -2.111 1.00 52.32 H new ATOM 0 HD23 LEU A 51 -23.199 16.985 -0.489 1.00 52.32 H new ATOM 853 N PHE A 52 -22.179 20.435 -4.831 1.00 51.05 N ATOM 854 CA PHE A 52 -22.265 21.431 -5.893 1.00 12.31 C ATOM 855 C PHE A 52 -21.598 20.926 -7.169 1.00 32.32 C ATOM 856 O PHE A 52 -22.042 21.230 -8.276 1.00 63.45 O ATOM 857 CB PHE A 52 -21.611 22.741 -5.447 1.00 35.33 C ATOM 858 CG PHE A 52 -22.506 23.938 -5.594 1.00 13.03 C ATOM 859 CD1 PHE A 52 -23.563 24.141 -4.721 1.00 51.01 C ATOM 860 CD2 PHE A 52 -22.291 24.860 -6.605 1.00 42.31 C ATOM 861 CE1 PHE A 52 -24.388 25.242 -4.853 1.00 73.04 C ATOM 862 CE2 PHE A 52 -23.112 25.963 -6.742 1.00 53.30 C ATOM 863 CZ PHE A 52 -24.163 26.154 -5.866 1.00 31.31 C ATOM 0 H PHE A 52 -21.301 20.447 -4.311 1.00 51.05 H new ATOM 0 HA PHE A 52 -23.319 21.611 -6.102 1.00 12.31 H new ATOM 0 HB2 PHE A 52 -21.308 22.650 -4.404 1.00 35.33 H new ATOM 0 HB3 PHE A 52 -20.704 22.902 -6.030 1.00 35.33 H new ATOM 0 HD1 PHE A 52 -23.744 23.430 -3.928 1.00 51.01 H new ATOM 0 HD2 PHE A 52 -21.472 24.715 -7.294 1.00 42.31 H new ATOM 0 HE1 PHE A 52 -25.207 25.389 -4.165 1.00 73.04 H new ATOM 0 HE2 PHE A 52 -22.932 26.675 -7.534 1.00 53.30 H new ATOM 0 HZ PHE A 52 -24.807 27.014 -5.973 1.00 31.31 H new ATOM 873 N TYR A 53 -20.530 20.153 -7.004 1.00 52.24 N ATOM 874 CA TYR A 53 -19.799 19.607 -8.142 1.00 14.40 C ATOM 875 C TYR A 53 -20.593 18.491 -8.815 1.00 1.43 C ATOM 876 O TYR A 53 -20.775 18.490 -10.033 1.00 12.11 O ATOM 877 CB TYR A 53 -18.436 19.080 -7.693 1.00 63.51 C ATOM 878 CG TYR A 53 -17.402 19.058 -8.796 1.00 3.40 C ATOM 879 CD1 TYR A 53 -17.605 18.313 -9.951 1.00 41.42 C ATOM 880 CD2 TYR A 53 -16.221 19.782 -8.683 1.00 13.33 C ATOM 881 CE1 TYR A 53 -16.663 18.290 -10.961 1.00 43.43 C ATOM 882 CE2 TYR A 53 -15.274 19.766 -9.688 1.00 53.43 C ATOM 883 CZ TYR A 53 -15.499 19.019 -10.825 1.00 74.14 C ATOM 884 OH TYR A 53 -14.558 18.999 -11.829 1.00 2.33 O ATOM 0 H TYR A 53 -20.151 19.890 -6.094 1.00 52.24 H new ATOM 0 HA TYR A 53 -19.651 20.409 -8.865 1.00 14.40 H new ATOM 0 HB2 TYR A 53 -18.068 19.699 -6.874 1.00 63.51 H new ATOM 0 HB3 TYR A 53 -18.558 18.071 -7.300 1.00 63.51 H new ATOM 0 HD1 TYR A 53 -18.515 17.742 -10.061 1.00 41.42 H new ATOM 0 HD2 TYR A 53 -16.041 20.367 -7.794 1.00 13.33 H new ATOM 0 HE1 TYR A 53 -16.836 17.705 -11.852 1.00 43.43 H new ATOM 0 HE2 TYR A 53 -14.362 20.335 -9.584 1.00 53.43 H new ATOM 0 HH TYR A 53 -14.074 19.851 -11.841 1.00 2.33 H new ATOM 894 N LEU A 54 -21.064 17.543 -8.012 1.00 65.15 N ATOM 895 CA LEU A 54 -21.839 16.420 -8.528 1.00 50.01 C ATOM 896 C LEU A 54 -23.158 16.898 -9.128 1.00 5.54 C ATOM 897 O LEU A 54 -23.712 16.261 -10.023 1.00 65.23 O ATOM 898 CB LEU A 54 -22.110 15.407 -7.414 1.00 41.40 C ATOM 899 CG LEU A 54 -23.349 15.668 -6.556 1.00 44.43 C ATOM 900 CD1 LEU A 54 -24.571 15.002 -7.168 1.00 32.02 C ATOM 901 CD2 LEU A 54 -23.126 15.176 -5.134 1.00 22.21 C ATOM 0 H LEU A 54 -20.923 17.530 -7.002 1.00 65.15 H new ATOM 0 HA LEU A 54 -21.257 15.939 -9.314 1.00 50.01 H new ATOM 0 HB2 LEU A 54 -22.206 14.419 -7.864 1.00 41.40 H new ATOM 0 HB3 LEU A 54 -21.239 15.376 -6.759 1.00 41.40 H new ATOM 0 HG LEU A 54 -23.525 16.743 -6.523 1.00 44.43 H new ATOM 0 HD11 LEU A 54 -25.443 15.198 -6.544 1.00 32.02 H new ATOM 0 HD12 LEU A 54 -24.742 15.403 -8.167 1.00 32.02 H new ATOM 0 HD13 LEU A 54 -24.405 13.927 -7.232 1.00 32.02 H new ATOM 0 HD21 LEU A 54 -24.018 15.370 -4.538 1.00 22.21 H new ATOM 0 HD22 LEU A 54 -22.924 14.105 -5.147 1.00 22.21 H new ATOM 0 HD23 LEU A 54 -22.276 15.700 -4.697 1.00 22.21 H new ATOM 913 N TYR A 55 -23.653 18.025 -8.629 1.00 54.41 N ATOM 914 CA TYR A 55 -24.907 18.590 -9.115 1.00 60.42 C ATOM 915 C TYR A 55 -24.707 19.285 -10.458 1.00 42.31 C ATOM 916 O TYR A 55 -25.408 19.000 -11.428 1.00 61.53 O ATOM 917 CB TYR A 55 -25.475 19.578 -8.096 1.00 1.34 C ATOM 918 CG TYR A 55 -26.898 19.998 -8.387 1.00 42.40 C ATOM 919 CD1 TYR A 55 -27.172 21.002 -9.308 1.00 4.53 C ATOM 920 CD2 TYR A 55 -27.968 19.392 -7.741 1.00 52.23 C ATOM 921 CE1 TYR A 55 -28.470 21.390 -9.577 1.00 10.12 C ATOM 922 CE2 TYR A 55 -29.270 19.772 -8.005 1.00 42.42 C ATOM 923 CZ TYR A 55 -29.516 20.772 -8.923 1.00 64.24 C ATOM 924 OH TYR A 55 -30.811 21.154 -9.188 1.00 43.40 O ATOM 0 H TYR A 55 -23.206 18.565 -7.889 1.00 54.41 H new ATOM 0 HA TYR A 55 -25.615 17.773 -9.251 1.00 60.42 H new ATOM 0 HB2 TYR A 55 -25.434 19.128 -7.104 1.00 1.34 H new ATOM 0 HB3 TYR A 55 -24.842 20.465 -8.070 1.00 1.34 H new ATOM 0 HD1 TYR A 55 -26.356 21.487 -9.822 1.00 4.53 H new ATOM 0 HD2 TYR A 55 -27.779 18.610 -7.020 1.00 52.23 H new ATOM 0 HE1 TYR A 55 -28.665 22.173 -10.295 1.00 10.12 H new ATOM 0 HE2 TYR A 55 -30.091 19.289 -7.495 1.00 42.42 H new ATOM 0 HH TYR A 55 -31.427 20.620 -8.645 1.00 43.40 H new ATOM 934 N MET A 56 -23.744 20.200 -10.505 1.00 41.14 N ATOM 935 CA MET A 56 -23.449 20.936 -11.729 1.00 50.13 C ATOM 936 C MET A 56 -23.062 19.984 -12.856 1.00 45.03 C ATOM 937 O MET A 56 -23.436 20.189 -14.012 1.00 24.11 O ATOM 938 CB MET A 56 -22.322 21.942 -11.486 1.00 14.21 C ATOM 939 CG MET A 56 -22.189 22.983 -12.586 1.00 21.12 C ATOM 940 SD MET A 56 -20.794 24.095 -12.325 1.00 25.55 S ATOM 941 CE MET A 56 -20.382 24.524 -14.014 1.00 25.40 C ATOM 0 H MET A 56 -23.155 20.449 -9.710 1.00 41.14 H new ATOM 0 HA MET A 56 -24.349 21.475 -12.025 1.00 50.13 H new ATOM 0 HB2 MET A 56 -22.497 22.449 -10.537 1.00 14.21 H new ATOM 0 HB3 MET A 56 -21.379 21.403 -11.391 1.00 14.21 H new ATOM 0 HG2 MET A 56 -22.072 22.479 -13.545 1.00 21.12 H new ATOM 0 HG3 MET A 56 -23.108 23.566 -12.642 1.00 21.12 H new ATOM 0 HE1 MET A 56 -19.534 25.209 -14.019 1.00 25.40 H new ATOM 0 HE2 MET A 56 -20.122 23.621 -14.566 1.00 25.40 H new ATOM 0 HE3 MET A 56 -21.239 25.004 -14.487 1.00 25.40 H new ATOM 951 N LEU A 57 -22.310 18.943 -12.514 1.00 13.45 N ATOM 952 CA LEU A 57 -21.872 17.959 -13.497 1.00 42.30 C ATOM 953 C LEU A 57 -23.067 17.279 -14.157 1.00 41.43 C ATOM 954 O LEU A 57 -23.135 17.172 -15.382 1.00 13.32 O ATOM 955 CB LEU A 57 -20.976 16.911 -12.834 1.00 51.14 C ATOM 956 CG LEU A 57 -20.157 16.033 -13.781 1.00 72.11 C ATOM 957 CD1 LEU A 57 -18.697 16.457 -13.773 1.00 24.52 C ATOM 958 CD2 LEU A 57 -20.291 14.566 -13.398 1.00 12.31 C ATOM 0 H LEU A 57 -21.991 18.759 -11.563 1.00 13.45 H new ATOM 0 HA LEU A 57 -21.303 18.480 -14.267 1.00 42.30 H new ATOM 0 HB2 LEU A 57 -20.289 17.423 -12.160 1.00 51.14 H new ATOM 0 HB3 LEU A 57 -21.602 16.263 -12.220 1.00 51.14 H new ATOM 0 HG LEU A 57 -20.545 16.161 -14.791 1.00 72.11 H new ATOM 0 HD11 LEU A 57 -18.130 15.821 -14.453 1.00 24.52 H new ATOM 0 HD12 LEU A 57 -18.618 17.495 -14.096 1.00 24.52 H new ATOM 0 HD13 LEU A 57 -18.295 16.359 -12.764 1.00 24.52 H new ATOM 0 HD21 LEU A 57 -19.702 13.956 -14.083 1.00 12.31 H new ATOM 0 HD22 LEU A 57 -19.929 14.421 -12.380 1.00 12.31 H new ATOM 0 HD23 LEU A 57 -21.338 14.269 -13.457 1.00 12.31 H new ATOM 970 N VAL A 58 -24.009 16.823 -13.338 1.00 23.12 N ATOM 971 CA VAL A 58 -25.203 16.156 -13.842 1.00 14.30 C ATOM 972 C VAL A 58 -26.029 17.095 -14.715 1.00 31.40 C ATOM 973 O VAL A 58 -26.420 16.740 -15.827 1.00 31.45 O ATOM 974 CB VAL A 58 -26.084 15.636 -12.690 1.00 52.34 C ATOM 975 CG1 VAL A 58 -27.350 14.993 -13.235 1.00 73.30 C ATOM 976 CG2 VAL A 58 -25.306 14.655 -11.827 1.00 35.23 C ATOM 0 H VAL A 58 -23.968 16.903 -12.322 1.00 23.12 H new ATOM 0 HA VAL A 58 -24.865 15.310 -14.441 1.00 14.30 H new ATOM 0 HB VAL A 58 -26.375 16.482 -12.067 1.00 52.34 H new ATOM 0 HG11 VAL A 58 -27.960 14.632 -12.407 1.00 73.30 H new ATOM 0 HG12 VAL A 58 -27.915 15.729 -13.807 1.00 73.30 H new ATOM 0 HG13 VAL A 58 -27.084 14.157 -13.882 1.00 73.30 H new ATOM 0 HG21 VAL A 58 -25.943 14.297 -11.018 1.00 35.23 H new ATOM 0 HG22 VAL A 58 -24.984 13.810 -12.436 1.00 35.23 H new ATOM 0 HG23 VAL A 58 -24.432 15.153 -11.407 1.00 35.23 H new ATOM 986 N GLN A 59 -26.290 18.293 -14.204 1.00 10.33 N ATOM 987 CA GLN A 59 -27.070 19.283 -14.937 1.00 61.05 C ATOM 988 C GLN A 59 -26.414 19.610 -16.275 1.00 72.11 C ATOM 989 O GLN A 59 -27.097 19.860 -17.269 1.00 22.12 O ATOM 990 CB GLN A 59 -27.226 20.558 -14.107 1.00 43.33 C ATOM 991 CG GLN A 59 -28.604 20.715 -13.485 1.00 61.23 C ATOM 992 CD GLN A 59 -29.693 20.912 -14.522 1.00 22.25 C ATOM 993 OE1 GLN A 59 -30.413 19.975 -14.868 1.00 10.02 O ATOM 994 NE2 GLN A 59 -29.819 22.135 -15.023 1.00 31.03 N ATOM 0 H GLN A 59 -25.973 18.602 -13.285 1.00 10.33 H new ATOM 0 HA GLN A 59 -28.056 18.861 -15.130 1.00 61.05 H new ATOM 0 HB2 GLN A 59 -26.477 20.560 -13.315 1.00 43.33 H new ATOM 0 HB3 GLN A 59 -27.022 21.421 -14.741 1.00 43.33 H new ATOM 0 HG2 GLN A 59 -28.832 19.832 -12.888 1.00 61.23 H new ATOM 0 HG3 GLN A 59 -28.597 21.567 -12.805 1.00 61.23 H new ATOM 0 HE21 GLN A 59 -29.200 22.882 -14.707 1.00 31.03 H new ATOM 0 HE22 GLN A 59 -30.535 22.328 -15.724 1.00 31.03 H new ATOM 1003 N LYS A 60 -25.086 19.607 -16.294 1.00 23.34 N ATOM 1004 CA LYS A 60 -24.336 19.902 -17.509 1.00 32.11 C ATOM 1005 C LYS A 60 -24.416 18.739 -18.493 1.00 53.54 C ATOM 1006 O LYS A 60 -24.439 18.942 -19.708 1.00 31.24 O ATOM 1007 CB LYS A 60 -22.873 20.198 -17.171 1.00 52.22 C ATOM 1008 CG LYS A 60 -22.013 20.481 -18.391 1.00 22.15 C ATOM 1009 CD LYS A 60 -21.594 21.940 -18.451 1.00 4.21 C ATOM 1010 CE LYS A 60 -20.314 22.186 -17.665 1.00 74.44 C ATOM 1011 NZ LYS A 60 -19.795 23.566 -17.869 1.00 11.45 N ATOM 0 H LYS A 60 -24.506 19.403 -15.480 1.00 23.34 H new ATOM 0 HA LYS A 60 -24.780 20.782 -17.976 1.00 32.11 H new ATOM 0 HB2 LYS A 60 -22.830 21.056 -16.500 1.00 52.22 H new ATOM 0 HB3 LYS A 60 -22.454 19.349 -16.631 1.00 52.22 H new ATOM 0 HG2 LYS A 60 -21.126 19.848 -18.367 1.00 22.15 H new ATOM 0 HG3 LYS A 60 -22.565 20.223 -19.295 1.00 22.15 H new ATOM 0 HD2 LYS A 60 -21.446 22.235 -19.490 1.00 4.21 H new ATOM 0 HD3 LYS A 60 -22.393 22.566 -18.053 1.00 4.21 H new ATOM 0 HE2 LYS A 60 -20.502 22.022 -16.604 1.00 74.44 H new ATOM 0 HE3 LYS A 60 -19.556 21.464 -17.970 1.00 74.44 H new ATOM 0 HZ1 LYS A 60 -18.923 23.694 -17.317 1.00 11.45 H new ATOM 0 HZ2 LYS A 60 -19.591 23.715 -18.878 1.00 11.45 H new ATOM 0 HZ3 LYS A 60 -20.508 24.255 -17.555 1.00 11.45 H new ATOM 1025 N PHE A 61 -24.460 17.522 -17.962 1.00 52.12 N ATOM 1026 CA PHE A 61 -24.538 16.327 -18.794 1.00 55.35 C ATOM 1027 C PHE A 61 -25.946 16.145 -19.354 1.00 14.50 C ATOM 1028 O PHE A 61 -26.181 15.293 -20.209 1.00 71.31 O ATOM 1029 CB PHE A 61 -24.134 15.091 -17.988 1.00 53.14 C ATOM 1030 CG PHE A 61 -22.935 14.378 -18.545 1.00 75.15 C ATOM 1031 CD1 PHE A 61 -21.654 14.816 -18.253 1.00 52.41 C ATOM 1032 CD2 PHE A 61 -23.090 13.269 -19.362 1.00 11.11 C ATOM 1033 CE1 PHE A 61 -20.549 14.162 -18.764 1.00 2.23 C ATOM 1034 CE2 PHE A 61 -21.989 12.611 -19.875 1.00 63.31 C ATOM 1035 CZ PHE A 61 -20.717 13.058 -19.577 1.00 5.43 C ATOM 0 H PHE A 61 -24.443 17.337 -16.959 1.00 52.12 H new ATOM 0 HA PHE A 61 -23.847 16.450 -19.628 1.00 55.35 H new ATOM 0 HB2 PHE A 61 -23.925 15.389 -16.961 1.00 53.14 H new ATOM 0 HB3 PHE A 61 -24.975 14.399 -17.954 1.00 53.14 H new ATOM 0 HD1 PHE A 61 -21.517 15.679 -17.618 1.00 52.41 H new ATOM 0 HD2 PHE A 61 -24.082 12.916 -19.600 1.00 11.11 H new ATOM 0 HE1 PHE A 61 -19.555 14.514 -18.528 1.00 2.23 H new ATOM 0 HE2 PHE A 61 -22.123 11.747 -20.509 1.00 63.31 H new ATOM 0 HZ PHE A 61 -19.855 12.546 -19.979 1.00 5.43 H new ATOM 1045 N GLY A 62 -26.881 16.954 -18.863 1.00 41.34 N ATOM 1046 CA GLY A 62 -28.254 16.867 -19.325 1.00 31.14 C ATOM 1047 C GLY A 62 -29.140 16.096 -18.366 1.00 2.32 C ATOM 1048 O GLY A 62 -30.164 15.543 -18.764 1.00 41.00 O ATOM 0 H GLY A 62 -26.712 17.667 -18.154 1.00 41.34 H new ATOM 0 HA2 GLY A 62 -28.654 17.872 -19.457 1.00 31.14 H new ATOM 0 HA3 GLY A 62 -28.276 16.385 -20.302 1.00 31.14 H new ATOM 1052 N GLY A 63 -28.744 16.058 -17.097 1.00 2.50 N ATOM 1053 CA GLY A 63 -29.519 15.346 -16.099 1.00 34.42 C ATOM 1054 C GLY A 63 -29.208 13.862 -16.073 1.00 1.40 C ATOM 1055 O GLY A 63 -28.768 13.296 -17.073 1.00 45.40 O ATOM 0 H GLY A 63 -27.900 16.508 -16.743 1.00 2.50 H new ATOM 0 HA2 GLY A 63 -29.320 15.773 -15.116 1.00 34.42 H new ATOM 0 HA3 GLY A 63 -30.581 15.488 -16.299 1.00 34.42 H new ATOM 1059 N ALA A 64 -29.435 13.231 -14.926 1.00 12.54 N ATOM 1060 CA ALA A 64 -29.176 11.805 -14.774 1.00 12.12 C ATOM 1061 C ALA A 64 -29.849 11.004 -15.883 1.00 62.12 C ATOM 1062 O ALA A 64 -29.340 9.967 -16.309 1.00 31.43 O ATOM 1063 CB ALA A 64 -29.651 11.325 -13.411 1.00 34.44 C ATOM 0 H ALA A 64 -29.798 13.685 -14.088 1.00 12.54 H new ATOM 0 HA ALA A 64 -28.100 11.646 -14.848 1.00 12.12 H new ATOM 0 HB1 ALA A 64 -29.451 10.258 -13.311 1.00 34.44 H new ATOM 0 HB2 ALA A 64 -29.121 11.868 -12.629 1.00 34.44 H new ATOM 0 HB3 ALA A 64 -30.722 11.504 -13.315 1.00 34.44 H new ATOM 1069 N ASP A 65 -30.994 11.491 -16.347 1.00 35.21 N ATOM 1070 CA ASP A 65 -31.737 10.820 -17.408 1.00 21.23 C ATOM 1071 C ASP A 65 -30.923 10.776 -18.697 1.00 41.51 C ATOM 1072 O ASP A 65 -30.964 9.792 -19.435 1.00 2.14 O ATOM 1073 CB ASP A 65 -33.069 11.529 -17.655 1.00 11.45 C ATOM 1074 CG ASP A 65 -34.141 11.107 -16.670 1.00 34.23 C ATOM 1075 OD1 ASP A 65 -34.559 9.931 -16.716 1.00 51.14 O ATOM 1076 OD2 ASP A 65 -34.564 11.952 -15.853 1.00 4.13 O ATOM 0 H ASP A 65 -31.428 12.348 -16.005 1.00 35.21 H new ATOM 0 HA ASP A 65 -31.934 9.797 -17.088 1.00 21.23 H new ATOM 0 HB2 ASP A 65 -32.922 12.607 -17.587 1.00 11.45 H new ATOM 0 HB3 ASP A 65 -33.408 11.317 -18.669 1.00 11.45 H new ATOM 1081 N GLN A 66 -30.186 11.850 -18.962 1.00 3.31 N ATOM 1082 CA GLN A 66 -29.364 11.935 -20.163 1.00 61.33 C ATOM 1083 C GLN A 66 -28.186 10.969 -20.086 1.00 72.34 C ATOM 1084 O GLN A 66 -27.799 10.365 -21.087 1.00 21.33 O ATOM 1085 CB GLN A 66 -28.855 13.364 -20.359 1.00 64.20 C ATOM 1086 CG GLN A 66 -28.007 13.542 -21.608 1.00 72.14 C ATOM 1087 CD GLN A 66 -28.232 14.882 -22.280 1.00 53.21 C ATOM 1088 OE1 GLN A 66 -27.286 15.628 -22.537 1.00 35.34 O ATOM 1089 NE2 GLN A 66 -29.490 15.196 -22.569 1.00 42.02 N ATOM 0 H GLN A 66 -30.141 12.673 -18.361 1.00 3.31 H new ATOM 0 HA GLN A 66 -29.983 11.657 -21.016 1.00 61.33 H new ATOM 0 HB2 GLN A 66 -29.708 14.041 -20.410 1.00 64.20 H new ATOM 0 HB3 GLN A 66 -28.269 13.655 -19.487 1.00 64.20 H new ATOM 0 HG2 GLN A 66 -26.954 13.444 -21.344 1.00 72.14 H new ATOM 0 HG3 GLN A 66 -28.234 12.743 -22.314 1.00 72.14 H new ATOM 0 HE21 GLN A 66 -30.243 14.548 -22.338 1.00 42.02 H new ATOM 0 HE22 GLN A 66 -29.703 16.085 -23.022 1.00 42.02 H new ATOM 1098 N VAL A 67 -27.620 10.828 -18.892 1.00 62.31 N ATOM 1099 CA VAL A 67 -26.486 9.934 -18.684 1.00 54.51 C ATOM 1100 C VAL A 67 -26.896 8.477 -18.862 1.00 22.35 C ATOM 1101 O VAL A 67 -26.123 7.659 -19.363 1.00 52.30 O ATOM 1102 CB VAL A 67 -25.877 10.118 -17.281 1.00 51.15 C ATOM 1103 CG1 VAL A 67 -24.619 9.277 -17.131 1.00 61.43 C ATOM 1104 CG2 VAL A 67 -25.581 11.587 -17.018 1.00 22.32 C ATOM 0 H VAL A 67 -27.928 11.321 -18.054 1.00 62.31 H new ATOM 0 HA VAL A 67 -25.737 10.191 -19.433 1.00 54.51 H new ATOM 0 HB VAL A 67 -26.602 9.779 -16.541 1.00 51.15 H new ATOM 0 HG11 VAL A 67 -24.203 9.420 -16.134 1.00 61.43 H new ATOM 0 HG12 VAL A 67 -24.865 8.225 -17.274 1.00 61.43 H new ATOM 0 HG13 VAL A 67 -23.886 9.583 -17.877 1.00 61.43 H new ATOM 0 HG21 VAL A 67 -25.151 11.699 -16.023 1.00 22.32 H new ATOM 0 HG22 VAL A 67 -24.874 11.955 -17.762 1.00 22.32 H new ATOM 0 HG23 VAL A 67 -26.505 12.161 -17.081 1.00 22.32 H new ATOM 1114 N THR A 68 -28.118 8.156 -18.447 1.00 43.11 N ATOM 1115 CA THR A 68 -28.631 6.797 -18.559 1.00 63.43 C ATOM 1116 C THR A 68 -29.234 6.549 -19.937 1.00 71.40 C ATOM 1117 O THR A 68 -29.250 5.418 -20.424 1.00 20.12 O ATOM 1118 CB THR A 68 -29.696 6.508 -17.485 1.00 72.31 C ATOM 1119 OG1 THR A 68 -30.137 5.149 -17.586 1.00 14.23 O ATOM 1120 CG2 THR A 68 -30.885 7.445 -17.636 1.00 61.13 C ATOM 0 H THR A 68 -28.771 8.820 -18.030 1.00 43.11 H new ATOM 0 HA THR A 68 -27.785 6.126 -18.410 1.00 63.43 H new ATOM 0 HB THR A 68 -29.247 6.672 -16.506 1.00 72.31 H new ATOM 0 HG1 THR A 68 -30.813 4.973 -16.899 1.00 14.23 H new ATOM 0 HG21 THR A 68 -31.624 7.222 -16.867 1.00 61.13 H new ATOM 0 HG22 THR A 68 -30.551 8.477 -17.530 1.00 61.13 H new ATOM 0 HG23 THR A 68 -31.333 7.308 -18.620 1.00 61.13 H new ATOM 1128 N ARG A 69 -29.729 7.612 -20.561 1.00 53.32 N ATOM 1129 CA ARG A 69 -30.334 7.509 -21.884 1.00 15.24 C ATOM 1130 C ARG A 69 -29.352 6.910 -22.886 1.00 33.22 C ATOM 1131 O ARG A 69 -29.719 6.063 -23.701 1.00 61.31 O ATOM 1132 CB ARG A 69 -30.795 8.886 -22.366 1.00 32.02 C ATOM 1133 CG ARG A 69 -31.499 8.856 -23.713 1.00 30.54 C ATOM 1134 CD ARG A 69 -30.587 9.339 -24.829 1.00 2.20 C ATOM 1135 NE ARG A 69 -31.327 10.040 -25.876 1.00 25.55 N ATOM 1136 CZ ARG A 69 -32.027 9.421 -26.820 1.00 11.23 C ATOM 1137 NH1 ARG A 69 -32.083 8.097 -26.848 1.00 34.11 N ATOM 1138 NH2 ARG A 69 -32.674 10.128 -27.738 1.00 3.02 N ATOM 0 H ARG A 69 -29.723 8.555 -20.172 1.00 53.32 H new ATOM 0 HA ARG A 69 -31.198 6.849 -21.810 1.00 15.24 H new ATOM 0 HB2 ARG A 69 -31.468 9.315 -21.623 1.00 32.02 H new ATOM 0 HB3 ARG A 69 -29.930 9.547 -22.432 1.00 32.02 H new ATOM 0 HG2 ARG A 69 -31.832 7.841 -23.928 1.00 30.54 H new ATOM 0 HG3 ARG A 69 -32.390 9.482 -23.673 1.00 30.54 H new ATOM 0 HD2 ARG A 69 -29.828 10.003 -24.415 1.00 2.20 H new ATOM 0 HD3 ARG A 69 -30.063 8.487 -25.263 1.00 2.20 H new ATOM 0 HE ARG A 69 -31.305 11.060 -25.882 1.00 25.55 H new ATOM 0 HH11 ARG A 69 -31.588 7.551 -26.143 1.00 34.11 H new ATOM 0 HH12 ARG A 69 -32.621 7.625 -27.574 1.00 34.11 H new ATOM 0 HH21 ARG A 69 -32.634 11.147 -27.719 1.00 3.02 H new ATOM 0 HH22 ARG A 69 -33.211 9.652 -28.463 1.00 3.02 H new ATOM 1152 N THR A 70 -28.101 7.356 -22.820 1.00 35.40 N ATOM 1153 CA THR A 70 -27.067 6.865 -23.722 1.00 1.33 C ATOM 1154 C THR A 70 -26.235 5.771 -23.062 1.00 14.44 C ATOM 1155 O THR A 70 -25.307 5.236 -23.666 1.00 61.21 O ATOM 1156 CB THR A 70 -26.132 8.002 -24.175 1.00 3.30 C ATOM 1157 OG1 THR A 70 -25.991 8.968 -23.127 1.00 55.23 O ATOM 1158 CG2 THR A 70 -26.670 8.679 -25.427 1.00 23.22 C ATOM 0 H THR A 70 -27.780 8.056 -22.151 1.00 35.40 H new ATOM 0 HA THR A 70 -27.577 6.454 -24.593 1.00 1.33 H new ATOM 0 HB THR A 70 -25.157 7.571 -24.404 1.00 3.30 H new ATOM 0 HG1 THR A 70 -25.394 9.687 -23.423 1.00 55.23 H new ATOM 0 HG21 THR A 70 -25.993 9.478 -25.728 1.00 23.22 H new ATOM 0 HG22 THR A 70 -26.748 7.947 -26.231 1.00 23.22 H new ATOM 0 HG23 THR A 70 -27.655 9.097 -25.220 1.00 23.22 H new ATOM 1166 N GLN A 71 -26.575 5.445 -21.819 1.00 34.40 N ATOM 1167 CA GLN A 71 -25.859 4.414 -21.078 1.00 21.35 C ATOM 1168 C GLN A 71 -24.393 4.794 -20.895 1.00 33.14 C ATOM 1169 O GLN A 71 -23.497 3.996 -21.169 1.00 52.42 O ATOM 1170 CB GLN A 71 -25.963 3.070 -21.801 1.00 60.10 C ATOM 1171 CG GLN A 71 -25.680 1.874 -20.907 1.00 23.24 C ATOM 1172 CD GLN A 71 -26.642 0.727 -21.144 1.00 32.22 C ATOM 1173 OE1 GLN A 71 -26.568 0.040 -22.163 1.00 73.01 O ATOM 1174 NE2 GLN A 71 -27.553 0.513 -20.201 1.00 43.11 N ATOM 0 H GLN A 71 -27.341 5.880 -21.305 1.00 34.40 H new ATOM 0 HA GLN A 71 -26.318 4.325 -20.094 1.00 21.35 H new ATOM 0 HB2 GLN A 71 -26.964 2.970 -22.222 1.00 60.10 H new ATOM 0 HB3 GLN A 71 -25.264 3.062 -22.637 1.00 60.10 H new ATOM 0 HG2 GLN A 71 -24.660 1.529 -21.080 1.00 23.24 H new ATOM 0 HG3 GLN A 71 -25.740 2.183 -19.863 1.00 23.24 H new ATOM 0 HE21 GLN A 71 -27.578 1.107 -19.372 1.00 43.11 H new ATOM 0 HE22 GLN A 71 -28.227 -0.245 -20.306 1.00 43.11 H new ATOM 1183 N GLN A 72 -24.158 6.017 -20.430 1.00 21.43 N ATOM 1184 CA GLN A 72 -22.800 6.502 -20.211 1.00 54.15 C ATOM 1185 C GLN A 72 -22.498 6.621 -18.721 1.00 41.34 C ATOM 1186 O GLN A 72 -21.398 7.013 -18.331 1.00 60.21 O ATOM 1187 CB GLN A 72 -22.605 7.857 -20.894 1.00 11.34 C ATOM 1188 CG GLN A 72 -21.155 8.167 -21.227 1.00 4.10 C ATOM 1189 CD GLN A 72 -20.711 7.544 -22.536 1.00 25.35 C ATOM 1190 OE1 GLN A 72 -21.412 7.625 -23.545 1.00 23.44 O ATOM 1191 NE2 GLN A 72 -19.540 6.917 -22.526 1.00 20.22 N ATOM 0 H GLN A 72 -24.889 6.689 -20.198 1.00 21.43 H new ATOM 0 HA GLN A 72 -22.108 5.781 -20.646 1.00 54.15 H new ATOM 0 HB2 GLN A 72 -23.193 7.880 -21.812 1.00 11.34 H new ATOM 0 HB3 GLN A 72 -22.996 8.641 -20.245 1.00 11.34 H new ATOM 0 HG2 GLN A 72 -21.021 9.247 -21.279 1.00 4.10 H new ATOM 0 HG3 GLN A 72 -20.516 7.805 -20.422 1.00 4.10 H new ATOM 0 HE21 GLN A 72 -18.992 6.874 -21.667 1.00 20.22 H new ATOM 0 HE22 GLN A 72 -19.189 6.478 -23.377 1.00 20.22 H new ATOM 1200 N TRP A 73 -23.480 6.282 -17.895 1.00 31.13 N ATOM 1201 CA TRP A 73 -23.318 6.351 -16.447 1.00 15.52 C ATOM 1202 C TRP A 73 -22.150 5.487 -15.987 1.00 44.13 C ATOM 1203 O TRP A 73 -21.447 5.832 -15.037 1.00 63.53 O ATOM 1204 CB TRP A 73 -24.604 5.906 -15.748 1.00 1.15 C ATOM 1205 CG TRP A 73 -24.460 5.784 -14.261 1.00 24.23 C ATOM 1206 CD1 TRP A 73 -24.098 6.770 -13.389 1.00 5.45 C ATOM 1207 CD2 TRP A 73 -24.672 4.607 -13.473 1.00 13.40 C ATOM 1208 NE1 TRP A 73 -24.072 6.278 -12.106 1.00 14.11 N ATOM 1209 CE2 TRP A 73 -24.422 4.954 -12.131 1.00 30.13 C ATOM 1210 CE3 TRP A 73 -25.052 3.296 -13.770 1.00 61.23 C ATOM 1211 CZ2 TRP A 73 -24.538 4.035 -11.091 1.00 53.20 C ATOM 1212 CZ3 TRP A 73 -25.167 2.385 -12.737 1.00 45.13 C ATOM 1213 CH2 TRP A 73 -24.911 2.758 -11.411 1.00 13.00 C ATOM 0 H TRP A 73 -24.397 5.957 -18.202 1.00 31.13 H new ATOM 0 HA TRP A 73 -23.106 7.386 -16.179 1.00 15.52 H new ATOM 0 HB2 TRP A 73 -25.396 6.620 -15.972 1.00 1.15 H new ATOM 0 HB3 TRP A 73 -24.917 4.945 -16.156 1.00 1.15 H new ATOM 0 HD1 TRP A 73 -23.866 7.788 -13.667 1.00 5.45 H new ATOM 0 HE1 TRP A 73 -23.831 6.812 -11.271 1.00 14.11 H new ATOM 0 HE3 TRP A 73 -25.252 2.999 -14.789 1.00 61.23 H new ATOM 0 HZ2 TRP A 73 -24.341 4.320 -10.068 1.00 53.20 H new ATOM 0 HZ3 TRP A 73 -25.459 1.369 -12.956 1.00 45.13 H new ATOM 0 HH2 TRP A 73 -25.010 2.023 -10.626 1.00 13.00 H new ATOM 1224 N SER A 74 -21.947 4.363 -16.668 1.00 1.25 N ATOM 1225 CA SER A 74 -20.864 3.448 -16.326 1.00 74.21 C ATOM 1226 C SER A 74 -19.507 4.119 -16.511 1.00 63.45 C ATOM 1227 O SER A 74 -18.631 4.020 -15.652 1.00 53.32 O ATOM 1228 CB SER A 74 -20.944 2.186 -17.188 1.00 34.05 C ATOM 1229 OG SER A 74 -20.743 2.490 -18.557 1.00 23.31 O ATOM 0 H SER A 74 -22.518 4.065 -17.459 1.00 1.25 H new ATOM 0 HA SER A 74 -20.972 3.171 -15.277 1.00 74.21 H new ATOM 0 HB2 SER A 74 -20.193 1.468 -16.858 1.00 34.05 H new ATOM 0 HB3 SER A 74 -21.917 1.713 -17.056 1.00 34.05 H new ATOM 0 HG SER A 74 -20.797 1.667 -19.086 1.00 23.31 H new ATOM 1235 N MET A 75 -19.340 4.801 -17.640 1.00 20.41 N ATOM 1236 CA MET A 75 -18.090 5.489 -17.939 1.00 3.24 C ATOM 1237 C MET A 75 -17.932 6.732 -17.068 1.00 22.52 C ATOM 1238 O MET A 75 -16.873 6.961 -16.483 1.00 12.33 O ATOM 1239 CB MET A 75 -18.038 5.879 -19.417 1.00 64.52 C ATOM 1240 CG MET A 75 -16.642 5.808 -20.016 1.00 30.45 C ATOM 1241 SD MET A 75 -15.712 7.336 -19.791 1.00 62.13 S ATOM 1242 CE MET A 75 -14.051 6.695 -19.591 1.00 52.22 C ATOM 0 H MET A 75 -20.055 4.892 -18.362 1.00 20.41 H new ATOM 0 HA MET A 75 -17.268 4.807 -17.722 1.00 3.24 H new ATOM 0 HB2 MET A 75 -18.700 5.222 -19.981 1.00 64.52 H new ATOM 0 HB3 MET A 75 -18.422 6.893 -19.531 1.00 64.52 H new ATOM 0 HG2 MET A 75 -16.096 4.984 -19.558 1.00 30.45 H new ATOM 0 HG3 MET A 75 -16.718 5.587 -21.081 1.00 30.45 H new ATOM 0 HE1 MET A 75 -13.357 7.522 -19.442 1.00 52.22 H new ATOM 0 HE2 MET A 75 -14.018 6.033 -18.725 1.00 52.22 H new ATOM 0 HE3 MET A 75 -13.766 6.139 -20.484 1.00 52.22 H new ATOM 1252 N VAL A 76 -18.991 7.530 -16.986 1.00 52.44 N ATOM 1253 CA VAL A 76 -18.970 8.749 -16.186 1.00 50.13 C ATOM 1254 C VAL A 76 -18.693 8.439 -14.720 1.00 24.23 C ATOM 1255 O VAL A 76 -17.871 9.096 -14.080 1.00 75.33 O ATOM 1256 CB VAL A 76 -20.302 9.515 -16.295 1.00 31.34 C ATOM 1257 CG1 VAL A 76 -20.230 10.824 -15.523 1.00 60.23 C ATOM 1258 CG2 VAL A 76 -20.656 9.764 -17.753 1.00 5.41 C ATOM 0 H VAL A 76 -19.875 7.355 -17.464 1.00 52.44 H new ATOM 0 HA VAL A 76 -18.168 9.373 -16.580 1.00 50.13 H new ATOM 0 HB VAL A 76 -21.090 8.904 -15.854 1.00 31.34 H new ATOM 0 HG11 VAL A 76 -21.180 11.351 -15.611 1.00 60.23 H new ATOM 0 HG12 VAL A 76 -20.027 10.616 -14.472 1.00 60.23 H new ATOM 0 HG13 VAL A 76 -19.432 11.444 -15.931 1.00 60.23 H new ATOM 0 HG21 VAL A 76 -21.600 10.306 -17.811 1.00 5.41 H new ATOM 0 HG22 VAL A 76 -19.869 10.354 -18.223 1.00 5.41 H new ATOM 0 HG23 VAL A 76 -20.753 8.810 -18.272 1.00 5.41 H new ATOM 1268 N ALA A 77 -19.383 7.433 -14.193 1.00 22.15 N ATOM 1269 CA ALA A 77 -19.209 7.033 -12.802 1.00 0.35 C ATOM 1270 C ALA A 77 -17.748 6.720 -12.499 1.00 24.01 C ATOM 1271 O ALA A 77 -17.249 7.031 -11.418 1.00 25.43 O ATOM 1272 CB ALA A 77 -20.085 5.831 -12.484 1.00 73.45 C ATOM 0 H ALA A 77 -20.068 6.880 -14.708 1.00 22.15 H new ATOM 0 HA ALA A 77 -19.513 7.867 -12.170 1.00 0.35 H new ATOM 0 HB1 ALA A 77 -19.944 5.544 -11.442 1.00 73.45 H new ATOM 0 HB2 ALA A 77 -21.131 6.088 -12.651 1.00 73.45 H new ATOM 0 HB3 ALA A 77 -19.808 4.998 -13.130 1.00 73.45 H new ATOM 1278 N GLN A 78 -17.068 6.103 -13.460 1.00 72.21 N ATOM 1279 CA GLN A 78 -15.664 5.747 -13.294 1.00 70.53 C ATOM 1280 C GLN A 78 -14.801 6.994 -13.136 1.00 61.12 C ATOM 1281 O GLN A 78 -13.791 6.977 -12.433 1.00 22.54 O ATOM 1282 CB GLN A 78 -15.180 4.925 -14.490 1.00 42.15 C ATOM 1283 CG GLN A 78 -13.678 4.690 -14.499 1.00 30.52 C ATOM 1284 CD GLN A 78 -13.287 3.445 -15.272 1.00 3.53 C ATOM 1285 OE1 GLN A 78 -12.836 2.457 -14.692 1.00 62.14 O ATOM 1286 NE2 GLN A 78 -13.458 3.488 -16.588 1.00 23.31 N ATOM 0 H GLN A 78 -17.466 5.839 -14.361 1.00 72.21 H new ATOM 0 HA GLN A 78 -15.572 5.147 -12.389 1.00 70.53 H new ATOM 0 HB2 GLN A 78 -15.690 3.962 -14.488 1.00 42.15 H new ATOM 0 HB3 GLN A 78 -15.465 5.435 -15.410 1.00 42.15 H new ATOM 0 HG2 GLN A 78 -13.181 5.556 -14.937 1.00 30.52 H new ATOM 0 HG3 GLN A 78 -13.321 4.603 -13.473 1.00 30.52 H new ATOM 0 HE21 GLN A 78 -13.835 4.328 -17.026 1.00 23.31 H new ATOM 0 HE22 GLN A 78 -13.212 2.681 -17.161 1.00 23.31 H new ATOM 1295 N ARG A 79 -15.205 8.075 -13.795 1.00 73.24 N ATOM 1296 CA ARG A 79 -14.468 9.331 -13.729 1.00 63.41 C ATOM 1297 C ARG A 79 -14.351 9.817 -12.288 1.00 11.15 C ATOM 1298 O ARG A 79 -13.290 10.274 -11.859 1.00 34.21 O ATOM 1299 CB ARG A 79 -15.156 10.396 -14.584 1.00 44.42 C ATOM 1300 CG ARG A 79 -14.201 11.165 -15.484 1.00 33.33 C ATOM 1301 CD ARG A 79 -14.943 11.877 -16.604 1.00 32.21 C ATOM 1302 NE ARG A 79 -14.546 11.388 -17.921 1.00 64.33 N ATOM 1303 CZ ARG A 79 -15.232 11.629 -19.033 1.00 31.43 C ATOM 1304 NH1 ARG A 79 -16.344 12.349 -18.986 1.00 33.22 N ATOM 1305 NH2 ARG A 79 -14.806 11.149 -20.194 1.00 50.12 N ATOM 0 H ARG A 79 -16.039 8.106 -14.381 1.00 73.24 H new ATOM 0 HA ARG A 79 -13.465 9.156 -14.118 1.00 63.41 H new ATOM 0 HB2 ARG A 79 -15.918 9.919 -15.200 1.00 44.42 H new ATOM 0 HB3 ARG A 79 -15.670 11.099 -13.929 1.00 44.42 H new ATOM 0 HG2 ARG A 79 -13.648 11.894 -14.891 1.00 33.33 H new ATOM 0 HG3 ARG A 79 -13.469 10.479 -15.910 1.00 33.33 H new ATOM 0 HD2 ARG A 79 -16.016 11.737 -16.474 1.00 32.21 H new ATOM 0 HD3 ARG A 79 -14.751 12.948 -16.542 1.00 32.21 H new ATOM 0 HE ARG A 79 -13.695 10.830 -17.991 1.00 64.33 H new ATOM 0 HH11 ARG A 79 -16.675 12.719 -18.095 1.00 33.22 H new ATOM 0 HH12 ARG A 79 -16.869 12.533 -19.841 1.00 33.22 H new ATOM 0 HH21 ARG A 79 -13.951 10.594 -20.234 1.00 50.12 H new ATOM 0 HH22 ARG A 79 -15.334 11.335 -21.047 1.00 50.12 H new ATOM 1319 N LEU A 80 -15.448 9.717 -11.544 1.00 65.23 N ATOM 1320 CA LEU A 80 -15.469 10.147 -10.150 1.00 70.25 C ATOM 1321 C LEU A 80 -15.268 8.962 -9.212 1.00 32.53 C ATOM 1322 O LEU A 80 -15.180 9.129 -7.996 1.00 3.42 O ATOM 1323 CB LEU A 80 -16.792 10.846 -9.832 1.00 70.42 C ATOM 1324 CG LEU A 80 -18.051 10.190 -10.400 1.00 71.31 C ATOM 1325 CD1 LEU A 80 -19.228 10.387 -9.457 1.00 3.30 C ATOM 1326 CD2 LEU A 80 -18.370 10.751 -11.778 1.00 43.21 C ATOM 0 H LEU A 80 -16.334 9.342 -11.883 1.00 65.23 H new ATOM 0 HA LEU A 80 -14.649 10.849 -9.999 1.00 70.25 H new ATOM 0 HB2 LEU A 80 -16.896 10.908 -8.749 1.00 70.42 H new ATOM 0 HB3 LEU A 80 -16.739 11.868 -10.206 1.00 70.42 H new ATOM 0 HG LEU A 80 -17.866 9.120 -10.499 1.00 71.31 H new ATOM 0 HD11 LEU A 80 -20.115 9.913 -9.878 1.00 3.30 H new ATOM 0 HD12 LEU A 80 -19.000 9.936 -8.491 1.00 3.30 H new ATOM 0 HD13 LEU A 80 -19.414 11.453 -9.325 1.00 3.30 H new ATOM 0 HD21 LEU A 80 -19.269 10.272 -12.166 1.00 43.21 H new ATOM 0 HD22 LEU A 80 -18.534 11.826 -11.704 1.00 43.21 H new ATOM 0 HD23 LEU A 80 -17.536 10.557 -12.452 1.00 43.21 H new ATOM 1338 N GLN A 81 -15.195 7.765 -9.785 1.00 70.22 N ATOM 1339 CA GLN A 81 -15.003 6.552 -8.999 1.00 62.10 C ATOM 1340 C GLN A 81 -16.185 6.316 -8.064 1.00 63.05 C ATOM 1341 O GLN A 81 -16.005 6.064 -6.873 1.00 11.04 O ATOM 1342 CB GLN A 81 -13.708 6.643 -8.190 1.00 1.32 C ATOM 1343 CG GLN A 81 -13.290 5.325 -7.559 1.00 71.44 C ATOM 1344 CD GLN A 81 -12.765 5.493 -6.147 1.00 41.34 C ATOM 1345 OE1 GLN A 81 -13.292 6.287 -5.367 1.00 43.24 O ATOM 1346 NE2 GLN A 81 -11.721 4.745 -5.811 1.00 2.14 N ATOM 0 H GLN A 81 -15.266 7.609 -10.791 1.00 70.22 H new ATOM 0 HA GLN A 81 -14.935 5.710 -9.688 1.00 62.10 H new ATOM 0 HB2 GLN A 81 -12.907 6.995 -8.840 1.00 1.32 H new ATOM 0 HB3 GLN A 81 -13.832 7.389 -7.405 1.00 1.32 H new ATOM 0 HG2 GLN A 81 -14.143 4.646 -7.547 1.00 71.44 H new ATOM 0 HG3 GLN A 81 -12.521 4.860 -8.175 1.00 71.44 H new ATOM 0 HE21 GLN A 81 -11.316 4.100 -6.490 1.00 2.14 H new ATOM 0 HE22 GLN A 81 -11.324 4.815 -4.874 1.00 2.14 H new ATOM 1355 N ILE A 82 -17.392 6.400 -8.613 1.00 31.41 N ATOM 1356 CA ILE A 82 -18.603 6.194 -7.828 1.00 0.31 C ATOM 1357 C ILE A 82 -19.197 4.814 -8.085 1.00 31.43 C ATOM 1358 O ILE A 82 -19.887 4.255 -7.232 1.00 11.11 O ATOM 1359 CB ILE A 82 -19.665 7.264 -8.142 1.00 14.34 C ATOM 1360 CG1 ILE A 82 -20.857 7.125 -7.192 1.00 4.45 C ATOM 1361 CG2 ILE A 82 -20.119 7.151 -9.589 1.00 55.43 C ATOM 1362 CD1 ILE A 82 -21.970 6.262 -7.741 1.00 74.02 C ATOM 0 H ILE A 82 -17.557 6.609 -9.598 1.00 31.41 H new ATOM 0 HA ILE A 82 -18.317 6.274 -6.779 1.00 0.31 H new ATOM 0 HB ILE A 82 -19.221 8.249 -7.997 1.00 14.34 H new ATOM 0 HG12 ILE A 82 -20.512 6.702 -6.249 1.00 4.45 H new ATOM 0 HG13 ILE A 82 -21.252 8.116 -6.971 1.00 4.45 H new ATOM 0 HG21 ILE A 82 -20.870 7.914 -9.795 1.00 55.43 H new ATOM 0 HG22 ILE A 82 -19.265 7.294 -10.251 1.00 55.43 H new ATOM 0 HG23 ILE A 82 -20.549 6.164 -9.760 1.00 55.43 H new ATOM 0 HD11 ILE A 82 -22.781 6.208 -7.015 1.00 74.02 H new ATOM 0 HD12 ILE A 82 -22.342 6.695 -8.669 1.00 74.02 H new ATOM 0 HD13 ILE A 82 -21.590 5.259 -7.936 1.00 74.02 H new ATOM 1374 N SER A 83 -18.923 4.267 -9.265 1.00 3.40 N ATOM 1375 CA SER A 83 -19.432 2.952 -9.635 1.00 45.05 C ATOM 1376 C SER A 83 -18.430 2.210 -10.515 1.00 23.13 C ATOM 1377 O SER A 83 -18.720 1.883 -11.666 1.00 2.23 O ATOM 1378 CB SER A 83 -20.768 3.087 -10.368 1.00 32.45 C ATOM 1379 OG SER A 83 -21.487 1.865 -10.345 1.00 41.55 O ATOM 0 H SER A 83 -18.351 4.715 -9.981 1.00 3.40 H new ATOM 0 HA SER A 83 -19.583 2.378 -8.721 1.00 45.05 H new ATOM 0 HB2 SER A 83 -21.364 3.872 -9.903 1.00 32.45 H new ATOM 0 HB3 SER A 83 -20.591 3.390 -11.400 1.00 32.45 H new ATOM 0 HG SER A 83 -22.410 2.023 -10.633 1.00 41.55 H new ATOM 1385 N ASP A 84 -17.250 1.947 -9.964 1.00 2.21 N ATOM 1386 CA ASP A 84 -16.204 1.243 -10.696 1.00 61.33 C ATOM 1387 C ASP A 84 -16.315 -0.264 -10.487 1.00 62.31 C ATOM 1388 O ASP A 84 -15.382 -0.904 -10.001 1.00 21.12 O ATOM 1389 CB ASP A 84 -14.824 1.731 -10.253 1.00 41.45 C ATOM 1390 CG ASP A 84 -14.358 2.941 -11.039 1.00 55.45 C ATOM 1391 OD1 ASP A 84 -14.646 3.007 -12.253 1.00 31.33 O ATOM 1392 OD2 ASP A 84 -13.706 3.823 -10.442 1.00 22.44 O ATOM 0 H ASP A 84 -16.994 2.211 -9.013 1.00 2.21 H new ATOM 0 HA ASP A 84 -16.332 1.455 -11.757 1.00 61.33 H new ATOM 0 HB2 ASP A 84 -14.853 1.980 -9.192 1.00 41.45 H new ATOM 0 HB3 ASP A 84 -14.101 0.924 -10.372 1.00 41.45 H new ATOM 1397 N TYR A 85 -17.461 -0.825 -10.856 1.00 51.32 N ATOM 1398 CA TYR A 85 -17.695 -2.256 -10.706 1.00 14.02 C ATOM 1399 C TYR A 85 -17.831 -2.634 -9.234 1.00 32.00 C ATOM 1400 O TYR A 85 -18.470 -1.925 -8.457 1.00 32.30 O ATOM 1401 CB TYR A 85 -16.555 -3.051 -11.345 1.00 14.30 C ATOM 1402 CG TYR A 85 -16.095 -2.489 -12.671 1.00 72.33 C ATOM 1403 CD1 TYR A 85 -16.959 -2.426 -13.758 1.00 64.43 C ATOM 1404 CD2 TYR A 85 -14.797 -2.023 -12.838 1.00 52.20 C ATOM 1405 CE1 TYR A 85 -16.543 -1.915 -14.972 1.00 45.13 C ATOM 1406 CE2 TYR A 85 -14.373 -1.508 -14.048 1.00 20.42 C ATOM 1407 CZ TYR A 85 -15.249 -1.457 -15.112 1.00 10.21 C ATOM 1408 OH TYR A 85 -14.830 -0.946 -16.319 1.00 62.41 O ATOM 0 H TYR A 85 -18.243 -0.310 -11.261 1.00 51.32 H new ATOM 0 HA TYR A 85 -18.628 -2.501 -11.213 1.00 14.02 H new ATOM 0 HB2 TYR A 85 -15.710 -3.075 -10.657 1.00 14.30 H new ATOM 0 HB3 TYR A 85 -16.878 -4.082 -11.489 1.00 14.30 H new ATOM 0 HD1 TYR A 85 -17.973 -2.783 -13.652 1.00 64.43 H new ATOM 0 HD2 TYR A 85 -14.107 -2.064 -12.008 1.00 52.20 H new ATOM 0 HE1 TYR A 85 -17.227 -1.874 -15.807 1.00 45.13 H new ATOM 0 HE2 TYR A 85 -13.361 -1.147 -14.160 1.00 20.42 H new ATOM 0 HH TYR A 85 -13.893 -0.667 -16.249 1.00 62.41 H new ATOM 1418 N GLN A 86 -17.224 -3.756 -8.860 1.00 14.34 N ATOM 1419 CA GLN A 86 -17.277 -4.229 -7.481 1.00 52.24 C ATOM 1420 C GLN A 86 -16.895 -3.117 -6.509 1.00 72.44 C ATOM 1421 O GLN A 86 -17.422 -3.043 -5.400 1.00 21.34 O ATOM 1422 CB GLN A 86 -16.346 -5.428 -7.295 1.00 45.34 C ATOM 1423 CG GLN A 86 -14.874 -5.087 -7.467 1.00 70.15 C ATOM 1424 CD GLN A 86 -14.048 -6.278 -7.912 1.00 5.32 C ATOM 1425 OE1 GLN A 86 -14.533 -7.409 -7.942 1.00 13.22 O ATOM 1426 NE2 GLN A 86 -12.791 -6.029 -8.260 1.00 65.23 N ATOM 0 H GLN A 86 -16.691 -4.354 -9.491 1.00 14.34 H new ATOM 0 HA GLN A 86 -18.301 -4.537 -7.268 1.00 52.24 H new ATOM 0 HB2 GLN A 86 -16.500 -5.846 -6.300 1.00 45.34 H new ATOM 0 HB3 GLN A 86 -16.617 -6.203 -8.012 1.00 45.34 H new ATOM 0 HG2 GLN A 86 -14.774 -4.286 -8.199 1.00 70.15 H new ATOM 0 HG3 GLN A 86 -14.480 -4.708 -6.524 1.00 70.15 H new ATOM 0 HE21 GLN A 86 -12.430 -5.076 -8.220 1.00 65.23 H new ATOM 0 HE22 GLN A 86 -12.186 -6.791 -8.567 1.00 65.23 H new ATOM 1435 N GLN A 87 -15.976 -2.256 -6.934 1.00 72.33 N ATOM 1436 CA GLN A 87 -15.523 -1.149 -6.100 1.00 74.50 C ATOM 1437 C GLN A 87 -16.699 -0.286 -5.657 1.00 14.54 C ATOM 1438 O GLN A 87 -16.664 0.331 -4.591 1.00 24.34 O ATOM 1439 CB GLN A 87 -14.505 -0.296 -6.857 1.00 50.44 C ATOM 1440 CG GLN A 87 -13.116 -0.911 -6.912 1.00 50.20 C ATOM 1441 CD GLN A 87 -12.194 -0.366 -5.839 1.00 62.02 C ATOM 1442 OE1 GLN A 87 -12.009 0.846 -5.720 1.00 34.44 O ATOM 1443 NE2 GLN A 87 -11.609 -1.260 -5.051 1.00 64.32 N ATOM 0 H GLN A 87 -15.531 -2.304 -7.850 1.00 72.33 H new ATOM 0 HA GLN A 87 -15.047 -1.566 -5.212 1.00 74.50 H new ATOM 0 HB2 GLN A 87 -14.863 -0.136 -7.874 1.00 50.44 H new ATOM 0 HB3 GLN A 87 -14.441 0.684 -6.384 1.00 50.44 H new ATOM 0 HG2 GLN A 87 -13.197 -1.992 -6.801 1.00 50.20 H new ATOM 0 HG3 GLN A 87 -12.678 -0.723 -7.892 1.00 50.20 H new ATOM 0 HE21 GLN A 87 -11.791 -2.255 -5.185 1.00 64.32 H new ATOM 0 HE22 GLN A 87 -10.978 -0.952 -4.311 1.00 64.32 H new ATOM 1452 N LEU A 88 -17.741 -0.244 -6.481 1.00 25.33 N ATOM 1453 CA LEU A 88 -18.928 0.545 -6.174 1.00 35.13 C ATOM 1454 C LEU A 88 -19.480 0.187 -4.797 1.00 64.54 C ATOM 1455 O LEU A 88 -20.108 1.013 -4.136 1.00 25.40 O ATOM 1456 CB LEU A 88 -20.003 0.322 -7.240 1.00 24.32 C ATOM 1457 CG LEU A 88 -20.906 -0.895 -7.038 1.00 21.42 C ATOM 1458 CD1 LEU A 88 -22.128 -0.522 -6.214 1.00 55.10 C ATOM 1459 CD2 LEU A 88 -21.323 -1.479 -8.380 1.00 41.41 C ATOM 0 H LEU A 88 -17.787 -0.747 -7.367 1.00 25.33 H new ATOM 0 HA LEU A 88 -18.643 1.597 -6.168 1.00 35.13 H new ATOM 0 HB2 LEU A 88 -20.631 1.212 -7.286 1.00 24.32 H new ATOM 0 HB3 LEU A 88 -19.512 0.228 -8.209 1.00 24.32 H new ATOM 0 HG LEU A 88 -20.344 -1.654 -6.493 1.00 21.42 H new ATOM 0 HD11 LEU A 88 -22.759 -1.401 -6.081 1.00 55.10 H new ATOM 0 HD12 LEU A 88 -21.810 -0.152 -5.239 1.00 55.10 H new ATOM 0 HD13 LEU A 88 -22.692 0.255 -6.731 1.00 55.10 H new ATOM 0 HD21 LEU A 88 -21.965 -2.344 -8.216 1.00 41.41 H new ATOM 0 HD22 LEU A 88 -21.867 -0.726 -8.951 1.00 41.41 H new ATOM 0 HD23 LEU A 88 -20.436 -1.785 -8.935 1.00 41.41 H new ATOM 1471 N GLU A 89 -19.238 -1.050 -4.372 1.00 51.32 N ATOM 1472 CA GLU A 89 -19.710 -1.516 -3.074 1.00 4.14 C ATOM 1473 C GLU A 89 -18.973 -0.807 -1.941 1.00 25.43 C ATOM 1474 O GLU A 89 -19.580 -0.397 -0.952 1.00 23.44 O ATOM 1475 CB GLU A 89 -19.521 -3.029 -2.951 1.00 74.51 C ATOM 1476 CG GLU A 89 -20.779 -3.767 -2.523 1.00 12.41 C ATOM 1477 CD GLU A 89 -21.614 -4.229 -3.701 1.00 70.23 C ATOM 1478 OE1 GLU A 89 -21.075 -4.960 -4.559 1.00 31.24 O ATOM 1479 OE2 GLU A 89 -22.805 -3.860 -3.766 1.00 72.44 O ATOM 0 H GLU A 89 -18.719 -1.746 -4.907 1.00 51.32 H new ATOM 0 HA GLU A 89 -20.772 -1.282 -2.997 1.00 4.14 H new ATOM 0 HB2 GLU A 89 -19.187 -3.424 -3.910 1.00 74.51 H new ATOM 0 HB3 GLU A 89 -18.729 -3.230 -2.230 1.00 74.51 H new ATOM 0 HG2 GLU A 89 -20.501 -4.631 -1.919 1.00 12.41 H new ATOM 0 HG3 GLU A 89 -21.380 -3.115 -1.890 1.00 12.41 H new ATOM 1486 N SER A 90 -17.659 -0.668 -2.093 1.00 34.10 N ATOM 1487 CA SER A 90 -16.838 -0.013 -1.082 1.00 22.54 C ATOM 1488 C SER A 90 -17.149 1.478 -1.011 1.00 14.33 C ATOM 1489 O SER A 90 -17.274 2.046 0.075 1.00 54.43 O ATOM 1490 CB SER A 90 -15.353 -0.222 -1.387 1.00 33.00 C ATOM 1491 OG SER A 90 -14.697 -0.867 -0.309 1.00 44.43 O ATOM 0 H SER A 90 -17.141 -1.000 -2.906 1.00 34.10 H new ATOM 0 HA SER A 90 -17.070 -0.461 -0.116 1.00 22.54 H new ATOM 0 HB2 SER A 90 -15.245 -0.819 -2.292 1.00 33.00 H new ATOM 0 HB3 SER A 90 -14.880 0.740 -1.582 1.00 33.00 H new ATOM 0 HG SER A 90 -13.750 -0.991 -0.529 1.00 44.43 H new ATOM 1497 N ILE A 91 -17.273 2.106 -2.175 1.00 54.31 N ATOM 1498 CA ILE A 91 -17.571 3.531 -2.246 1.00 14.41 C ATOM 1499 C ILE A 91 -18.964 3.829 -1.702 1.00 55.41 C ATOM 1500 O ILE A 91 -19.162 4.798 -0.968 1.00 43.35 O ATOM 1501 CB ILE A 91 -17.473 4.056 -3.691 1.00 34.23 C ATOM 1502 CG1 ILE A 91 -16.089 3.760 -4.271 1.00 70.11 C ATOM 1503 CG2 ILE A 91 -17.763 5.549 -3.733 1.00 35.30 C ATOM 1504 CD1 ILE A 91 -16.133 3.074 -5.618 1.00 63.34 C ATOM 0 H ILE A 91 -17.172 1.650 -3.082 1.00 54.31 H new ATOM 0 HA ILE A 91 -16.827 4.040 -1.632 1.00 14.41 H new ATOM 0 HB ILE A 91 -18.218 3.544 -4.300 1.00 34.23 H new ATOM 0 HG12 ILE A 91 -15.536 4.695 -4.366 1.00 70.11 H new ATOM 0 HG13 ILE A 91 -15.537 3.133 -3.571 1.00 70.11 H new ATOM 0 HG21 ILE A 91 -17.690 5.905 -4.761 1.00 35.30 H new ATOM 0 HG22 ILE A 91 -18.768 5.735 -3.355 1.00 35.30 H new ATOM 0 HG23 ILE A 91 -17.039 6.078 -3.113 1.00 35.30 H new ATOM 0 HD11 ILE A 91 -15.117 2.895 -5.969 1.00 63.34 H new ATOM 0 HD12 ILE A 91 -16.657 2.123 -5.525 1.00 63.34 H new ATOM 0 HD13 ILE A 91 -16.657 3.709 -6.333 1.00 63.34 H new ATOM 1516 N TYR A 92 -19.927 2.989 -2.065 1.00 53.52 N ATOM 1517 CA TYR A 92 -21.303 3.163 -1.614 1.00 70.24 C ATOM 1518 C TYR A 92 -21.408 2.982 -0.103 1.00 60.22 C ATOM 1519 O TYR A 92 -22.112 3.729 0.576 1.00 1.51 O ATOM 1520 CB TYR A 92 -22.223 2.168 -2.324 1.00 15.15 C ATOM 1521 CG TYR A 92 -23.693 2.486 -2.168 1.00 54.43 C ATOM 1522 CD1 TYR A 92 -24.340 3.330 -3.063 1.00 72.20 C ATOM 1523 CD2 TYR A 92 -24.436 1.943 -1.127 1.00 63.31 C ATOM 1524 CE1 TYR A 92 -25.683 3.624 -2.924 1.00 62.14 C ATOM 1525 CE2 TYR A 92 -25.779 2.230 -0.982 1.00 11.15 C ATOM 1526 CZ TYR A 92 -26.398 3.072 -1.882 1.00 61.53 C ATOM 1527 OH TYR A 92 -27.736 3.361 -1.742 1.00 21.14 O ATOM 0 H TYR A 92 -19.780 2.181 -2.670 1.00 53.52 H new ATOM 0 HA TYR A 92 -21.615 4.177 -1.862 1.00 70.24 H new ATOM 0 HB2 TYR A 92 -21.974 2.149 -3.385 1.00 15.15 H new ATOM 0 HB3 TYR A 92 -22.033 1.168 -1.934 1.00 15.15 H new ATOM 0 HD1 TYR A 92 -23.784 3.763 -3.881 1.00 72.20 H new ATOM 0 HD2 TYR A 92 -23.955 1.285 -0.419 1.00 63.31 H new ATOM 0 HE1 TYR A 92 -26.170 4.283 -3.628 1.00 62.14 H new ATOM 0 HE2 TYR A 92 -26.342 1.797 -0.168 1.00 11.15 H new ATOM 0 HH TYR A 92 -28.092 2.892 -0.959 1.00 21.14 H new ATOM 1537 N PHE A 93 -20.702 1.983 0.417 1.00 42.50 N ATOM 1538 CA PHE A 93 -20.714 1.702 1.848 1.00 55.32 C ATOM 1539 C PHE A 93 -20.108 2.860 2.635 1.00 15.51 C ATOM 1540 O PHE A 93 -20.699 3.345 3.600 1.00 12.23 O ATOM 1541 CB PHE A 93 -19.945 0.413 2.143 1.00 74.25 C ATOM 1542 CG PHE A 93 -20.157 -0.106 3.536 1.00 72.31 C ATOM 1543 CD1 PHE A 93 -21.344 -0.731 3.884 1.00 70.35 C ATOM 1544 CD2 PHE A 93 -19.170 0.030 4.498 1.00 45.10 C ATOM 1545 CE1 PHE A 93 -21.542 -1.209 5.165 1.00 23.22 C ATOM 1546 CE2 PHE A 93 -19.361 -0.446 5.781 1.00 34.33 C ATOM 1547 CZ PHE A 93 -20.549 -1.068 6.115 1.00 42.41 C ATOM 0 H PHE A 93 -20.115 1.355 -0.131 1.00 42.50 H new ATOM 0 HA PHE A 93 -21.751 1.577 2.159 1.00 55.32 H new ATOM 0 HB2 PHE A 93 -20.248 -0.353 1.429 1.00 74.25 H new ATOM 0 HB3 PHE A 93 -18.881 0.591 1.988 1.00 74.25 H new ATOM 0 HD1 PHE A 93 -22.123 -0.846 3.145 1.00 70.35 H new ATOM 0 HD2 PHE A 93 -18.239 0.514 4.242 1.00 45.10 H new ATOM 0 HE1 PHE A 93 -22.472 -1.693 5.424 1.00 23.22 H new ATOM 0 HE2 PHE A 93 -18.583 -0.332 6.522 1.00 34.33 H new ATOM 0 HZ PHE A 93 -20.701 -1.443 7.116 1.00 42.41 H new ATOM 1557 N ARG A 94 -18.926 3.298 2.216 1.00 42.43 N ATOM 1558 CA ARG A 94 -18.238 4.398 2.882 1.00 53.02 C ATOM 1559 C ARG A 94 -19.030 5.695 2.748 1.00 54.31 C ATOM 1560 O ARG A 94 -18.958 6.570 3.612 1.00 75.22 O ATOM 1561 CB ARG A 94 -16.837 4.581 2.296 1.00 21.22 C ATOM 1562 CG ARG A 94 -15.765 3.785 3.022 1.00 3.14 C ATOM 1563 CD ARG A 94 -15.107 2.768 2.103 1.00 71.01 C ATOM 1564 NE ARG A 94 -14.614 3.381 0.872 1.00 31.13 N ATOM 1565 CZ ARG A 94 -13.795 2.770 0.024 1.00 72.43 C ATOM 1566 NH1 ARG A 94 -13.380 1.535 0.271 1.00 71.11 N ATOM 1567 NH2 ARG A 94 -13.390 3.393 -1.075 1.00 53.33 N ATOM 0 H ARG A 94 -18.424 2.908 1.418 1.00 42.43 H new ATOM 0 HA ARG A 94 -18.152 4.152 3.940 1.00 53.02 H new ATOM 0 HB2 ARG A 94 -16.850 4.285 1.247 1.00 21.22 H new ATOM 0 HB3 ARG A 94 -16.575 5.639 2.326 1.00 21.22 H new ATOM 0 HG2 ARG A 94 -15.009 4.465 3.415 1.00 3.14 H new ATOM 0 HG3 ARG A 94 -16.207 3.272 3.876 1.00 3.14 H new ATOM 0 HD2 ARG A 94 -14.279 2.289 2.626 1.00 71.01 H new ATOM 0 HD3 ARG A 94 -15.824 1.985 1.856 1.00 71.01 H new ATOM 0 HE ARG A 94 -14.915 4.330 0.652 1.00 31.13 H new ATOM 0 HH11 ARG A 94 -13.690 1.052 1.114 1.00 71.11 H new ATOM 0 HH12 ARG A 94 -12.751 1.068 -0.382 1.00 71.11 H new ATOM 0 HH21 ARG A 94 -13.708 4.343 -1.269 1.00 53.33 H new ATOM 0 HH22 ARG A 94 -12.761 2.922 -1.726 1.00 53.33 H new ATOM 1581 N ILE A 95 -19.784 5.812 1.660 1.00 13.41 N ATOM 1582 CA ILE A 95 -20.590 7.002 1.414 1.00 43.10 C ATOM 1583 C ILE A 95 -21.885 6.965 2.217 1.00 34.33 C ATOM 1584 O ILE A 95 -22.454 8.006 2.548 1.00 10.11 O ATOM 1585 CB ILE A 95 -20.930 7.152 -0.081 1.00 3.54 C ATOM 1586 CG1 ILE A 95 -19.703 7.633 -0.859 1.00 73.32 C ATOM 1587 CG2 ILE A 95 -22.092 8.117 -0.265 1.00 61.30 C ATOM 1588 CD1 ILE A 95 -19.862 7.530 -2.360 1.00 50.20 C ATOM 0 H ILE A 95 -19.854 5.098 0.935 1.00 13.41 H new ATOM 0 HA ILE A 95 -19.994 7.858 1.731 1.00 43.10 H new ATOM 0 HB ILE A 95 -21.226 6.178 -0.471 1.00 3.54 H new ATOM 0 HG12 ILE A 95 -19.498 8.670 -0.594 1.00 73.32 H new ATOM 0 HG13 ILE A 95 -18.836 7.048 -0.552 1.00 73.32 H new ATOM 0 HG21 ILE A 95 -22.321 8.213 -1.326 1.00 61.30 H new ATOM 0 HG22 ILE A 95 -22.967 7.737 0.262 1.00 61.30 H new ATOM 0 HG23 ILE A 95 -21.821 9.093 0.137 1.00 61.30 H new ATOM 0 HD11 ILE A 95 -18.955 7.888 -2.847 1.00 50.20 H new ATOM 0 HD12 ILE A 95 -20.037 6.490 -2.637 1.00 50.20 H new ATOM 0 HD13 ILE A 95 -20.709 8.138 -2.679 1.00 50.20 H new ATOM 1600 N LEU A 96 -22.346 5.759 2.530 1.00 75.32 N ATOM 1601 CA LEU A 96 -23.575 5.584 3.297 1.00 40.50 C ATOM 1602 C LEU A 96 -23.292 5.627 4.795 1.00 20.22 C ATOM 1603 O LEU A 96 -24.198 5.837 5.603 1.00 24.13 O ATOM 1604 CB LEU A 96 -24.245 4.259 2.930 1.00 0.22 C ATOM 1605 CG LEU A 96 -24.019 3.101 3.903 1.00 41.04 C ATOM 1606 CD1 LEU A 96 -25.044 3.138 5.025 1.00 55.31 C ATOM 1607 CD2 LEU A 96 -24.077 1.769 3.169 1.00 41.34 C ATOM 0 H LEU A 96 -21.887 4.887 2.265 1.00 75.32 H new ATOM 0 HA LEU A 96 -24.249 6.404 3.050 1.00 40.50 H new ATOM 0 HB2 LEU A 96 -25.318 4.429 2.842 1.00 0.22 H new ATOM 0 HB3 LEU A 96 -23.889 3.955 1.946 1.00 0.22 H new ATOM 0 HG LEU A 96 -23.027 3.209 4.342 1.00 41.04 H new ATOM 0 HD11 LEU A 96 -24.867 2.306 5.707 1.00 55.31 H new ATOM 0 HD12 LEU A 96 -24.955 4.079 5.569 1.00 55.31 H new ATOM 0 HD13 LEU A 96 -26.046 3.056 4.605 1.00 55.31 H new ATOM 0 HD21 LEU A 96 -23.914 0.956 3.877 1.00 41.34 H new ATOM 0 HD22 LEU A 96 -25.055 1.653 2.702 1.00 41.34 H new ATOM 0 HD23 LEU A 96 -23.303 1.742 2.402 1.00 41.34 H new ATOM 1619 N LEU A 97 -22.030 5.428 5.159 1.00 10.04 N ATOM 1620 CA LEU A 97 -21.626 5.446 6.561 1.00 33.31 C ATOM 1621 C LEU A 97 -22.288 6.602 7.304 1.00 73.11 C ATOM 1622 O LEU A 97 -22.669 7.614 6.715 1.00 71.43 O ATOM 1623 CB LEU A 97 -20.105 5.557 6.673 1.00 42.33 C ATOM 1624 CG LEU A 97 -19.393 4.383 7.346 1.00 52.04 C ATOM 1625 CD1 LEU A 97 -18.733 3.492 6.305 1.00 32.21 C ATOM 1626 CD2 LEU A 97 -18.366 4.886 8.349 1.00 45.22 C ATOM 0 H LEU A 97 -21.269 5.252 4.503 1.00 10.04 H new ATOM 0 HA LEU A 97 -21.950 4.511 7.019 1.00 33.31 H new ATOM 0 HB2 LEU A 97 -19.695 5.678 5.670 1.00 42.33 H new ATOM 0 HB3 LEU A 97 -19.867 6.465 7.226 1.00 42.33 H new ATOM 0 HG LEU A 97 -20.135 3.792 7.883 1.00 52.04 H new ATOM 0 HD11 LEU A 97 -18.231 2.662 6.802 1.00 32.21 H new ATOM 0 HD12 LEU A 97 -19.491 3.103 5.625 1.00 32.21 H new ATOM 0 HD13 LEU A 97 -18.003 4.072 5.740 1.00 32.21 H new ATOM 0 HD21 LEU A 97 -17.869 4.037 8.818 1.00 45.22 H new ATOM 0 HD22 LEU A 97 -17.627 5.501 7.835 1.00 45.22 H new ATOM 0 HD23 LEU A 97 -18.865 5.482 9.113 1.00 45.22 H new ATOM 1638 N PRO A 98 -22.428 6.452 8.629 1.00 23.54 N ATOM 1639 CA PRO A 98 -23.041 7.474 9.482 1.00 51.21 C ATOM 1640 C PRO A 98 -22.168 8.717 9.616 1.00 40.11 C ATOM 1641 O PRO A 98 -22.672 9.840 9.658 1.00 23.22 O ATOM 1642 CB PRO A 98 -23.182 6.771 10.834 1.00 5.03 C ATOM 1643 CG PRO A 98 -22.124 5.722 10.827 1.00 31.43 C ATOM 1644 CD PRO A 98 -21.997 5.272 9.398 1.00 24.21 C ATOM 0 HA PRO A 98 -23.985 7.833 9.073 1.00 51.21 H new ATOM 0 HB2 PRO A 98 -23.042 7.469 11.660 1.00 5.03 H new ATOM 0 HB3 PRO A 98 -24.173 6.333 10.951 1.00 5.03 H new ATOM 0 HG2 PRO A 98 -21.179 6.119 11.197 1.00 31.43 H new ATOM 0 HG3 PRO A 98 -22.396 4.889 11.476 1.00 31.43 H new ATOM 0 HD2 PRO A 98 -20.973 4.987 9.156 1.00 24.21 H new ATOM 0 HD3 PRO A 98 -22.626 4.406 9.192 1.00 24.21 H new ATOM 1652 N TYR A 99 -20.858 8.509 9.682 1.00 43.51 N ATOM 1653 CA TYR A 99 -19.915 9.614 9.813 1.00 25.31 C ATOM 1654 C TYR A 99 -19.860 10.439 8.531 1.00 63.41 C ATOM 1655 O TYR A 99 -19.872 11.668 8.571 1.00 40.32 O ATOM 1656 CB TYR A 99 -18.520 9.084 10.152 1.00 72.42 C ATOM 1657 CG TYR A 99 -17.972 9.613 11.457 1.00 3.24 C ATOM 1658 CD1 TYR A 99 -17.375 10.866 11.526 1.00 12.01 C ATOM 1659 CD2 TYR A 99 -18.051 8.861 12.623 1.00 61.41 C ATOM 1660 CE1 TYR A 99 -16.872 11.353 12.717 1.00 51.33 C ATOM 1661 CE2 TYR A 99 -17.552 9.341 13.818 1.00 22.53 C ATOM 1662 CZ TYR A 99 -16.963 10.587 13.860 1.00 1.10 C ATOM 1663 OH TYR A 99 -16.464 11.070 15.048 1.00 32.43 O ATOM 0 H TYR A 99 -20.425 7.586 9.647 1.00 43.51 H new ATOM 0 HA TYR A 99 -20.259 10.257 10.623 1.00 25.31 H new ATOM 0 HB2 TYR A 99 -18.555 7.996 10.197 1.00 72.42 H new ATOM 0 HB3 TYR A 99 -17.835 9.348 9.346 1.00 72.42 H new ATOM 0 HD1 TYR A 99 -17.303 11.469 10.633 1.00 12.01 H new ATOM 0 HD2 TYR A 99 -18.511 7.884 12.594 1.00 61.41 H new ATOM 0 HE1 TYR A 99 -16.410 12.329 12.753 1.00 51.33 H new ATOM 0 HE2 TYR A 99 -17.623 8.744 14.715 1.00 22.53 H new ATOM 0 HH TYR A 99 -16.608 10.409 15.757 1.00 32.43 H new ATOM 1673 N GLU A 100 -19.800 9.751 7.395 1.00 63.03 N ATOM 1674 CA GLU A 100 -19.743 10.420 6.100 1.00 22.41 C ATOM 1675 C GLU A 100 -21.039 11.174 5.820 1.00 74.11 C ATOM 1676 O GLU A 100 -21.019 12.343 5.436 1.00 41.43 O ATOM 1677 CB GLU A 100 -19.481 9.403 4.987 1.00 22.21 C ATOM 1678 CG GLU A 100 -19.086 10.037 3.664 1.00 70.10 C ATOM 1679 CD GLU A 100 -20.250 10.724 2.976 1.00 63.20 C ATOM 1680 OE1 GLU A 100 -21.402 10.293 3.189 1.00 34.50 O ATOM 1681 OE2 GLU A 100 -20.008 11.692 2.225 1.00 73.41 O ATOM 0 H GLU A 100 -19.790 8.732 7.345 1.00 63.03 H new ATOM 0 HA GLU A 100 -18.924 11.138 6.126 1.00 22.41 H new ATOM 0 HB2 GLU A 100 -18.690 8.724 5.305 1.00 22.21 H new ATOM 0 HB3 GLU A 100 -20.377 8.801 4.838 1.00 22.21 H new ATOM 0 HG2 GLU A 100 -18.291 10.762 3.836 1.00 70.10 H new ATOM 0 HG3 GLU A 100 -18.680 9.270 3.004 1.00 70.10 H new ATOM 1688 N ARG A 101 -22.166 10.496 6.015 1.00 64.44 N ATOM 1689 CA ARG A 101 -23.472 11.100 5.781 1.00 4.24 C ATOM 1690 C ARG A 101 -23.707 12.270 6.733 1.00 70.41 C ATOM 1691 O ARG A 101 -24.329 13.267 6.365 1.00 4.25 O ATOM 1692 CB ARG A 101 -24.578 10.058 5.954 1.00 61.21 C ATOM 1693 CG ARG A 101 -24.803 9.642 7.398 1.00 15.45 C ATOM 1694 CD ARG A 101 -25.881 8.575 7.509 1.00 10.15 C ATOM 1695 NE ARG A 101 -26.706 8.753 8.701 1.00 34.42 N ATOM 1696 CZ ARG A 101 -27.791 8.030 8.958 1.00 10.01 C ATOM 1697 NH1 ARG A 101 -28.179 7.086 8.112 1.00 43.03 N ATOM 1698 NH2 ARG A 101 -28.490 8.251 10.064 1.00 31.22 N ATOM 0 H ARG A 101 -22.200 9.528 6.335 1.00 64.44 H new ATOM 0 HA ARG A 101 -23.493 11.475 4.758 1.00 4.24 H new ATOM 0 HB2 ARG A 101 -25.508 10.458 5.551 1.00 61.21 H new ATOM 0 HB3 ARG A 101 -24.329 9.175 5.365 1.00 61.21 H new ATOM 0 HG2 ARG A 101 -23.871 9.264 7.818 1.00 15.45 H new ATOM 0 HG3 ARG A 101 -25.089 10.513 7.988 1.00 15.45 H new ATOM 0 HD2 ARG A 101 -26.514 8.605 6.622 1.00 10.15 H new ATOM 0 HD3 ARG A 101 -25.415 7.590 7.534 1.00 10.15 H new ATOM 0 HE ARG A 101 -26.435 9.471 9.373 1.00 34.42 H new ATOM 0 HH11 ARG A 101 -27.644 6.913 7.261 1.00 43.03 H new ATOM 0 HH12 ARG A 101 -29.012 6.533 8.312 1.00 43.03 H new ATOM 0 HH21 ARG A 101 -28.195 8.976 10.718 1.00 31.22 H new ATOM 0 HH22 ARG A 101 -29.323 7.696 10.261 1.00 31.22 H new ATOM 1712 N HIS A 102 -23.207 12.139 7.958 1.00 43.55 N ATOM 1713 CA HIS A 102 -23.362 13.185 8.962 1.00 15.51 C ATOM 1714 C HIS A 102 -22.571 14.432 8.576 1.00 32.42 C ATOM 1715 O HIS A 102 -23.084 15.548 8.641 1.00 41.45 O ATOM 1716 CB HIS A 102 -22.905 12.680 10.331 1.00 64.15 C ATOM 1717 CG HIS A 102 -23.981 11.979 11.101 1.00 61.11 C ATOM 1718 ND1 HIS A 102 -23.719 11.023 12.059 1.00 34.34 N ATOM 1719 CD2 HIS A 102 -25.328 12.101 11.051 1.00 11.01 C ATOM 1720 CE1 HIS A 102 -24.859 10.586 12.565 1.00 71.34 C ATOM 1721 NE2 HIS A 102 -25.851 11.225 11.970 1.00 24.41 N ATOM 0 H HIS A 102 -22.692 11.319 8.279 1.00 43.55 H new ATOM 0 HA HIS A 102 -24.418 13.449 9.015 1.00 15.51 H new ATOM 0 HB2 HIS A 102 -22.064 11.999 10.196 1.00 64.15 H new ATOM 0 HB3 HIS A 102 -22.541 13.524 10.917 1.00 64.15 H new ATOM 0 HD2 HIS A 102 -25.888 12.764 10.408 1.00 11.01 H new ATOM 0 HE1 HIS A 102 -24.962 9.835 13.334 1.00 71.34 H new ATOM 0 HE2 HIS A 102 -26.844 11.090 12.162 1.00 24.41 H new ATOM 1729 N MET A 103 -21.320 14.232 8.176 1.00 23.43 N ATOM 1730 CA MET A 103 -20.458 15.340 7.780 1.00 73.52 C ATOM 1731 C MET A 103 -21.068 16.112 6.615 1.00 53.52 C ATOM 1732 O MET A 103 -21.080 17.344 6.613 1.00 22.23 O ATOM 1733 CB MET A 103 -19.071 14.822 7.393 1.00 13.34 C ATOM 1734 CG MET A 103 -18.046 14.940 8.509 1.00 10.44 C ATOM 1735 SD MET A 103 -18.547 14.072 10.008 1.00 14.20 S ATOM 1736 CE MET A 103 -17.480 14.845 11.221 1.00 45.35 C ATOM 0 H MET A 103 -20.880 13.314 8.117 1.00 23.43 H new ATOM 0 HA MET A 103 -20.361 16.015 8.630 1.00 73.52 H new ATOM 0 HB2 MET A 103 -19.153 13.777 7.095 1.00 13.34 H new ATOM 0 HB3 MET A 103 -18.715 15.375 6.524 1.00 13.34 H new ATOM 0 HG2 MET A 103 -17.092 14.541 8.164 1.00 10.44 H new ATOM 0 HG3 MET A 103 -17.886 15.993 8.740 1.00 10.44 H new ATOM 0 HE1 MET A 103 -17.672 14.413 12.203 1.00 45.35 H new ATOM 0 HE2 MET A 103 -16.438 14.677 10.948 1.00 45.35 H new ATOM 0 HE3 MET A 103 -17.679 15.916 11.251 1.00 45.35 H new ATOM 1746 N ILE A 104 -21.573 15.382 5.626 1.00 13.51 N ATOM 1747 CA ILE A 104 -22.185 16.001 4.456 1.00 32.54 C ATOM 1748 C ILE A 104 -23.578 16.531 4.780 1.00 61.40 C ATOM 1749 O ILE A 104 -24.074 17.445 4.122 1.00 63.03 O ATOM 1750 CB ILE A 104 -22.286 15.008 3.283 1.00 22.01 C ATOM 1751 CG1 ILE A 104 -23.270 13.886 3.619 1.00 60.41 C ATOM 1752 CG2 ILE A 104 -20.915 14.437 2.954 1.00 62.34 C ATOM 1753 CD1 ILE A 104 -23.437 12.875 2.506 1.00 43.02 C ATOM 0 H ILE A 104 -21.571 14.362 5.611 1.00 13.51 H new ATOM 0 HA ILE A 104 -21.542 16.831 4.165 1.00 32.54 H new ATOM 0 HB ILE A 104 -22.657 15.540 2.407 1.00 22.01 H new ATOM 0 HG12 ILE A 104 -22.929 13.372 4.518 1.00 60.41 H new ATOM 0 HG13 ILE A 104 -24.241 14.323 3.851 1.00 60.41 H new ATOM 0 HG21 ILE A 104 -21.002 13.737 2.123 1.00 62.34 H new ATOM 0 HG22 ILE A 104 -20.240 15.247 2.677 1.00 62.34 H new ATOM 0 HG23 ILE A 104 -20.518 13.917 3.826 1.00 62.34 H new ATOM 0 HD11 ILE A 104 -24.149 12.109 2.814 1.00 43.02 H new ATOM 0 HD12 ILE A 104 -23.808 13.376 1.612 1.00 43.02 H new ATOM 0 HD13 ILE A 104 -22.475 12.410 2.289 1.00 43.02 H new ATOM 1765 N SER A 105 -24.204 15.951 5.800 1.00 44.14 N ATOM 1766 CA SER A 105 -25.541 16.364 6.210 1.00 24.41 C ATOM 1767 C SER A 105 -25.538 17.810 6.695 1.00 2.21 C ATOM 1768 O SER A 105 -26.516 18.536 6.520 1.00 71.12 O ATOM 1769 CB SER A 105 -26.064 15.444 7.315 1.00 11.33 C ATOM 1770 OG SER A 105 -27.222 15.988 7.925 1.00 4.35 O ATOM 0 H SER A 105 -23.807 15.194 6.357 1.00 44.14 H new ATOM 0 HA SER A 105 -26.199 16.292 5.344 1.00 24.41 H new ATOM 0 HB2 SER A 105 -26.295 14.464 6.898 1.00 11.33 H new ATOM 0 HB3 SER A 105 -25.289 15.296 8.067 1.00 11.33 H new ATOM 0 HG SER A 105 -27.538 15.381 8.627 1.00 4.35 H new ATOM 1776 N GLN A 106 -24.431 18.221 7.306 1.00 61.15 N ATOM 1777 CA GLN A 106 -24.301 19.580 7.817 1.00 44.22 C ATOM 1778 C GLN A 106 -24.536 20.603 6.710 1.00 24.11 C ATOM 1779 O GLN A 106 -25.135 21.653 6.940 1.00 72.51 O ATOM 1780 CB GLN A 106 -22.915 19.786 8.432 1.00 71.34 C ATOM 1781 CG GLN A 106 -22.764 19.166 9.812 1.00 41.53 C ATOM 1782 CD GLN A 106 -21.379 19.369 10.394 1.00 50.51 C ATOM 1783 OE1 GLN A 106 -20.630 18.413 10.592 1.00 62.52 O ATOM 1784 NE2 GLN A 106 -21.031 20.620 10.672 1.00 41.42 N ATOM 0 H GLN A 106 -23.612 17.632 7.459 1.00 61.15 H new ATOM 0 HA GLN A 106 -25.058 19.725 8.588 1.00 44.22 H new ATOM 0 HB2 GLN A 106 -22.164 19.359 7.767 1.00 71.34 H new ATOM 0 HB3 GLN A 106 -22.711 20.855 8.499 1.00 71.34 H new ATOM 0 HG2 GLN A 106 -23.504 19.600 10.484 1.00 41.53 H new ATOM 0 HG3 GLN A 106 -22.976 18.098 9.752 1.00 41.53 H new ATOM 0 HE21 GLN A 106 -21.684 21.383 10.492 1.00 41.42 H new ATOM 0 HE22 GLN A 106 -20.111 20.818 11.066 1.00 41.42 H new ATOM 1793 N GLU A 107 -24.059 20.289 5.510 1.00 64.34 N ATOM 1794 CA GLU A 107 -24.216 21.182 4.368 1.00 54.01 C ATOM 1795 C GLU A 107 -25.160 20.579 3.332 1.00 74.04 C ATOM 1796 O GLU A 107 -25.115 20.933 2.154 1.00 14.34 O ATOM 1797 CB GLU A 107 -22.857 21.473 3.728 1.00 74.21 C ATOM 1798 CG GLU A 107 -22.799 22.807 3.003 1.00 70.34 C ATOM 1799 CD GLU A 107 -21.384 23.335 2.867 1.00 54.52 C ATOM 1800 OE1 GLU A 107 -20.872 23.918 3.845 1.00 44.11 O ATOM 1801 OE2 GLU A 107 -20.790 23.166 1.781 1.00 10.04 O ATOM 0 H GLU A 107 -23.561 19.423 5.303 1.00 64.34 H new ATOM 0 HA GLU A 107 -24.647 22.116 4.727 1.00 54.01 H new ATOM 0 HB2 GLU A 107 -22.089 21.456 4.502 1.00 74.21 H new ATOM 0 HB3 GLU A 107 -22.618 20.676 3.024 1.00 74.21 H new ATOM 0 HG2 GLU A 107 -23.239 22.697 2.012 1.00 70.34 H new ATOM 0 HG3 GLU A 107 -23.405 23.536 3.542 1.00 70.34 H new