USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ -155:sc= 0.028 (180deg=0) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.128 X(o=-0.099,f=-0.034) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -119:sc= -0.505 (180deg=0) USER MOD Set 2.2: A 49 MET CE :methyl 178:sc= -1.3 (180deg=-0.712) USER MOD Set 3.1: A 8 CYS SG : rot 10:sc= 0.459 USER MOD Set 3.2: A 36 SER OG : rot -75:sc= 0.595 USER MOD Single : A 5 THR OG1 : rot 21:sc= 0.408 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.693 K(o=0.69,f=-0.049) USER MOD Single : A 18 GLN : amide:sc= -2.89! C(o=-2.9!,f=-8.5!) USER MOD Single : A 21 GLN : amide:sc= -0.88 K(o=-0.88,f=-7!) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.0161 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.106) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.181 K(o=-0.18,f=-3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.69 K(o=-0.69,f=-3.3!) USER MOD Single : A 44 GLN : amide:sc= -0.0379 X(o=-0.038,f=-0.038) USER MOD Single : A 45 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.26!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.075) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0335) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -178:sc= -12! (180deg=-12.3!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.05 K(o=-3.1,f=-11!) USER MOD Single : A 71 MET CE :methyl -156:sc= -4.16 (180deg=-7!) USER MOD Single : A 73 ASN : amide:sc= -0.545 K(o=-0.54,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -9.356 -19.214 40.926 1.00 61.43 N ATOM 63 CA THR A 5 -9.718 -19.331 39.519 1.00 75.42 C ATOM 64 C THR A 5 -11.106 -18.751 39.278 1.00 53.15 C ATOM 65 O THR A 5 -12.102 -19.278 39.773 1.00 32.22 O ATOM 66 CB THR A 5 -9.676 -20.793 39.078 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.563 -21.459 39.647 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.595 -20.962 37.575 1.00 34.41 C ATOM 0 HA THR A 5 -8.996 -18.767 38.929 1.00 75.42 H new ATOM 0 HB THR A 5 -10.613 -21.226 39.427 1.00 2.14 H new ATOM 0 HG1 THR A 5 -8.259 -20.969 40.439 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.568 -22.024 37.329 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.468 -20.504 37.110 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.691 -20.481 37.203 1.00 34.41 H new ATOM 76 N ILE A 6 -11.163 -17.660 38.525 1.00 1.53 N ATOM 77 CA ILE A 6 -12.431 -17.006 38.230 1.00 33.41 C ATOM 78 C ILE A 6 -13.176 -17.710 37.104 1.00 11.10 C ATOM 79 O ILE A 6 -12.723 -18.730 36.583 1.00 72.21 O ATOM 80 CB ILE A 6 -12.224 -15.526 37.842 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.442 -15.413 36.528 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.510 -14.775 38.959 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.521 -14.043 35.896 1.00 23.21 C ATOM 0 H ILE A 6 -10.348 -17.210 38.108 1.00 1.53 H new ATOM 0 HA ILE A 6 -13.027 -17.061 39.141 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.204 -15.071 37.694 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.397 -15.659 36.714 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.823 -16.152 35.823 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.373 -13.734 38.668 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -12.108 -14.821 39.869 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.537 -15.232 39.141 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -10.945 -14.036 34.971 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.562 -13.802 35.678 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.113 -13.301 36.583 1.00 23.21 H new ATOM 95 N PHE A 7 -14.315 -17.144 36.725 1.00 13.34 N ATOM 96 CA PHE A 7 -15.127 -17.691 35.650 1.00 50.22 C ATOM 97 C PHE A 7 -15.213 -16.690 34.509 1.00 42.14 C ATOM 98 O PHE A 7 -15.987 -15.733 34.569 1.00 72.41 O ATOM 99 CB PHE A 7 -16.530 -18.033 36.154 1.00 50.24 C ATOM 100 CG PHE A 7 -17.257 -19.010 35.271 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.981 -20.364 35.342 1.00 13.11 C ATOM 102 CD2 PHE A 7 -18.216 -18.570 34.372 1.00 40.51 C ATOM 103 CE1 PHE A 7 -17.646 -21.266 34.531 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.884 -19.466 33.558 1.00 31.12 C ATOM 105 CZ PHE A 7 -18.599 -20.815 33.639 1.00 21.53 C ATOM 0 H PHE A 7 -14.698 -16.300 37.151 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.658 -18.607 35.291 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.456 -18.447 37.159 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -17.115 -17.116 36.229 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -16.237 -20.721 36.039 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.444 -17.516 34.307 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -17.420 -22.320 34.595 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.628 -19.111 32.860 1.00 31.12 H new ATOM 0 HZ PHE A 7 -19.121 -21.517 33.005 1.00 21.53 H new ATOM 115 N CYS A 8 -14.413 -16.906 33.472 1.00 31.32 N ATOM 116 CA CYS A 8 -14.406 -16.010 32.327 1.00 54.41 C ATOM 117 C CYS A 8 -15.781 -15.976 31.669 1.00 65.22 C ATOM 118 O CYS A 8 -16.491 -16.981 31.653 1.00 34.32 O ATOM 119 CB CYS A 8 -13.347 -16.452 31.319 1.00 24.25 C ATOM 120 SG CYS A 8 -13.074 -15.276 29.974 1.00 51.15 S ATOM 0 H CYS A 8 -13.765 -17.690 33.402 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.163 -15.005 32.673 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.405 -16.612 31.844 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.643 -17.411 30.894 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.695 -14.165 30.237 1.00 51.15 H new ATOM 126 N THR A 9 -16.155 -14.822 31.126 1.00 52.25 N ATOM 127 CA THR A 9 -17.450 -14.679 30.469 1.00 12.21 C ATOM 128 C THR A 9 -17.308 -14.805 28.954 1.00 43.22 C ATOM 129 O THR A 9 -18.265 -15.151 28.260 1.00 73.23 O ATOM 130 CB THR A 9 -18.092 -13.338 30.835 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.446 -13.304 30.421 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.397 -12.145 30.219 1.00 1.45 C ATOM 0 H THR A 9 -15.584 -13.977 31.127 1.00 52.25 H new ATOM 0 HA THR A 9 -18.098 -15.482 30.819 1.00 12.21 H new ATOM 0 HB THR A 9 -18.003 -13.266 31.919 1.00 25.02 H new ATOM 0 HG1 THR A 9 -19.841 -12.441 30.664 1.00 2.15 H new ATOM 0 HG21 THR A 9 -17.907 -11.230 30.522 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.361 -12.112 30.557 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.421 -12.231 29.133 1.00 1.45 H new ATOM 140 N PHE A 10 -16.109 -14.529 28.447 1.00 65.32 N ATOM 141 CA PHE A 10 -15.846 -14.621 27.016 1.00 62.40 C ATOM 142 C PHE A 10 -15.744 -16.084 26.597 1.00 73.04 C ATOM 143 O PHE A 10 -16.303 -16.492 25.581 1.00 1.33 O ATOM 144 CB PHE A 10 -14.554 -13.880 26.663 1.00 25.33 C ATOM 145 CG PHE A 10 -14.142 -14.038 25.226 1.00 64.10 C ATOM 146 CD1 PHE A 10 -14.932 -13.535 24.205 1.00 61.21 C ATOM 147 CD2 PHE A 10 -12.963 -14.688 24.900 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.551 -13.678 22.883 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.579 -14.835 23.580 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.375 -14.329 22.571 1.00 24.22 C ATOM 0 H PHE A 10 -15.306 -14.240 29.006 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.672 -14.155 26.478 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.682 -12.820 26.881 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.751 -14.242 27.304 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.854 -13.026 24.444 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.337 -15.084 25.686 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.174 -13.280 22.095 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.658 -15.345 23.338 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.077 -14.443 21.539 1.00 24.22 H new ATOM 160 N LEU A 11 -15.034 -16.868 27.401 1.00 73.11 N ATOM 161 CA LEU A 11 -14.867 -18.290 27.133 1.00 31.00 C ATOM 162 C LEU A 11 -15.992 -19.093 27.775 1.00 73.10 C ATOM 163 O LEU A 11 -16.203 -20.259 27.441 1.00 62.15 O ATOM 164 CB LEU A 11 -13.515 -18.777 27.660 1.00 1.01 C ATOM 165 CG LEU A 11 -12.334 -17.842 27.390 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.286 -17.983 28.485 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.728 -18.133 26.023 1.00 2.01 C ATOM 0 H LEU A 11 -14.564 -16.541 28.245 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.902 -18.439 26.054 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.597 -18.931 28.736 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.298 -19.748 27.215 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.696 -16.814 27.392 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.452 -17.312 28.279 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.729 -17.727 29.448 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.926 -19.011 28.513 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.889 -17.460 25.846 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.378 -19.165 25.992 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.483 -17.983 25.251 1.00 2.01 H new ATOM 179 N GLN A 12 -16.708 -18.467 28.706 1.00 23.53 N ATOM 180 CA GLN A 12 -17.804 -19.128 29.395 1.00 23.44 C ATOM 181 C GLN A 12 -17.292 -20.347 30.152 1.00 25.43 C ATOM 182 O GLN A 12 -17.937 -21.396 30.177 1.00 51.41 O ATOM 183 CB GLN A 12 -18.892 -19.541 28.400 1.00 53.11 C ATOM 184 CG GLN A 12 -19.715 -18.373 27.882 1.00 64.42 C ATOM 185 CD GLN A 12 -20.714 -17.867 28.905 1.00 42.33 C ATOM 186 OE1 GLN A 12 -21.546 -18.624 29.402 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.635 -16.581 29.227 1.00 71.40 N ATOM 0 H GLN A 12 -16.546 -17.503 28.998 1.00 23.53 H new ATOM 0 HA GLN A 12 -18.236 -18.427 30.109 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.427 -20.050 27.556 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.557 -20.260 28.879 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.047 -17.560 27.598 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.246 -18.679 26.981 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.929 -15.988 28.790 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -21.280 -16.186 29.911 1.00 71.40 H new ATOM 196 N ARG A 13 -16.128 -20.195 30.778 1.00 31.42 N ATOM 197 CA ARG A 13 -15.518 -21.275 31.549 1.00 30.23 C ATOM 198 C ARG A 13 -14.845 -20.719 32.800 1.00 63.10 C ATOM 199 O ARG A 13 -15.047 -19.559 33.162 1.00 64.23 O ATOM 200 CB ARG A 13 -14.483 -22.039 30.710 1.00 73.20 C ATOM 201 CG ARG A 13 -14.620 -21.842 29.210 1.00 72.11 C ATOM 202 CD ARG A 13 -13.764 -22.837 28.439 1.00 24.42 C ATOM 203 NE ARG A 13 -13.620 -22.463 27.033 1.00 51.31 N ATOM 204 CZ ARG A 13 -13.610 -23.330 26.022 1.00 21.21 C ATOM 205 NH1 ARG A 13 -13.705 -24.635 26.249 1.00 22.03 N ATOM 206 NH2 ARG A 13 -13.497 -22.891 24.777 1.00 63.21 N ATOM 0 H ARG A 13 -15.586 -19.331 30.766 1.00 31.42 H new ATOM 0 HA ARG A 13 -16.311 -21.965 31.838 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -13.484 -21.727 31.015 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -14.566 -23.103 30.933 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.664 -21.957 28.920 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.326 -20.826 28.947 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -12.778 -22.900 28.900 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -14.212 -23.829 28.506 1.00 24.42 H new ATOM 0 HE ARG A 13 -13.521 -21.472 26.812 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -13.787 -24.982 27.205 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -13.696 -25.291 25.468 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -13.418 -21.891 24.594 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -13.489 -23.553 24.001 1.00 63.21 H new ATOM 220 N GLU A 14 -14.035 -21.549 33.448 1.00 1.13 N ATOM 221 CA GLU A 14 -13.321 -21.140 34.650 1.00 34.13 C ATOM 222 C GLU A 14 -11.841 -20.932 34.347 1.00 14.15 C ATOM 223 O GLU A 14 -11.169 -21.833 33.845 1.00 14.24 O ATOM 224 CB GLU A 14 -13.486 -22.188 35.751 1.00 13.12 C ATOM 225 CG GLU A 14 -13.576 -21.595 37.146 1.00 33.02 C ATOM 226 CD GLU A 14 -14.076 -22.594 38.171 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.420 -23.642 38.347 1.00 65.42 O ATOM 228 OE2 GLU A 14 -15.125 -22.329 38.797 1.00 33.53 O ATOM 0 H GLU A 14 -13.857 -22.511 33.159 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.744 -20.197 34.995 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -14.386 -22.771 35.554 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -12.644 -22.879 35.713 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.593 -21.232 37.447 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -14.243 -20.733 37.128 1.00 33.02 H new ATOM 235 N ALA A 15 -11.338 -19.739 34.645 1.00 12.03 N ATOM 236 CA ALA A 15 -9.936 -19.421 34.393 1.00 21.22 C ATOM 237 C ALA A 15 -9.410 -18.397 35.395 1.00 54.41 C ATOM 238 O ALA A 15 -10.182 -17.733 36.082 1.00 2.04 O ATOM 239 CB ALA A 15 -9.764 -18.911 32.971 1.00 50.14 C ATOM 0 H ALA A 15 -11.877 -18.979 35.060 1.00 12.03 H new ATOM 0 HA ALA A 15 -9.354 -20.334 34.516 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.715 -18.677 32.793 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -10.089 -19.678 32.268 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -10.365 -18.013 32.831 1.00 50.14 H new ATOM 245 N GLU A 16 -8.087 -18.275 35.469 1.00 3.04 N ATOM 246 CA GLU A 16 -7.448 -17.331 36.383 1.00 72.43 C ATOM 247 C GLU A 16 -7.965 -15.912 36.156 1.00 31.24 C ATOM 248 O GLU A 16 -8.641 -15.638 35.165 1.00 54.24 O ATOM 249 CB GLU A 16 -5.931 -17.361 36.192 1.00 40.45 C ATOM 250 CG GLU A 16 -5.489 -16.918 34.807 1.00 2.55 C ATOM 251 CD GLU A 16 -5.408 -18.070 33.826 1.00 45.03 C ATOM 252 OE1 GLU A 16 -4.407 -18.816 33.871 1.00 44.31 O ATOM 253 OE2 GLU A 16 -6.343 -18.227 33.014 1.00 45.02 O ATOM 0 H GLU A 16 -7.435 -18.820 34.905 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.693 -17.630 37.402 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -5.465 -16.716 36.938 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.569 -18.373 36.375 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -6.187 -16.171 34.428 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -4.514 -16.436 34.877 1.00 2.55 H new ATOM 260 N GLY A 17 -7.637 -15.014 37.081 1.00 52.13 N ATOM 261 CA GLY A 17 -8.072 -13.633 36.962 1.00 51.12 C ATOM 262 C GLY A 17 -6.913 -12.654 37.012 1.00 22.35 C ATOM 263 O GLY A 17 -5.881 -12.936 37.621 1.00 53.22 O ATOM 0 H GLY A 17 -7.078 -15.218 37.910 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.612 -13.505 36.024 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.772 -13.405 37.766 1.00 51.12 H new ATOM 267 N GLN A 18 -7.081 -11.501 36.368 1.00 21.14 N ATOM 268 CA GLN A 18 -6.037 -10.482 36.345 1.00 54.11 C ATOM 269 C GLN A 18 -5.661 -10.053 37.758 1.00 43.52 C ATOM 270 O GLN A 18 -6.224 -10.544 38.737 1.00 15.54 O ATOM 271 CB GLN A 18 -6.489 -9.264 35.536 1.00 11.52 C ATOM 272 CG GLN A 18 -6.788 -9.573 34.079 1.00 53.05 C ATOM 273 CD GLN A 18 -8.273 -9.671 33.797 1.00 62.42 C ATOM 274 OE1 GLN A 18 -9.002 -10.389 34.480 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.731 -8.943 32.784 1.00 14.32 N ATOM 0 H GLN A 18 -7.928 -11.251 35.857 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.159 -10.918 35.869 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.381 -8.843 35.999 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.714 -8.499 35.584 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.353 -8.796 33.450 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.307 -10.512 33.804 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.091 -8.361 32.244 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.723 -8.966 32.547 1.00 14.32 H new ATOM 284 N ASP A 19 -4.703 -9.139 37.857 1.00 30.30 N ATOM 285 CA ASP A 19 -4.246 -8.648 39.153 1.00 31.15 C ATOM 286 C ASP A 19 -4.525 -7.157 39.311 1.00 54.34 C ATOM 287 O ASP A 19 -4.714 -6.666 40.424 1.00 62.12 O ATOM 288 CB ASP A 19 -2.749 -8.912 39.313 1.00 61.25 C ATOM 289 CG ASP A 19 -2.429 -10.391 39.378 1.00 4.21 C ATOM 290 OD1 ASP A 19 -2.704 -11.014 40.426 1.00 32.45 O ATOM 291 OD2 ASP A 19 -1.905 -10.930 38.379 1.00 63.02 O ATOM 0 H ASP A 19 -4.227 -8.723 37.056 1.00 30.30 H new ATOM 0 HA ASP A 19 -4.797 -9.182 39.928 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.212 -8.463 38.478 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.392 -8.425 40.220 1.00 61.25 H new ATOM 296 N PHE A 20 -4.545 -6.440 38.193 1.00 75.50 N ATOM 297 CA PHE A 20 -4.797 -5.004 38.213 1.00 61.11 C ATOM 298 C PHE A 20 -5.752 -4.597 37.098 1.00 11.10 C ATOM 299 O PHE A 20 -5.624 -5.048 35.960 1.00 10.14 O ATOM 300 CB PHE A 20 -3.482 -4.236 38.078 1.00 42.10 C ATOM 301 CG PHE A 20 -2.585 -4.769 36.999 1.00 20.33 C ATOM 302 CD1 PHE A 20 -1.656 -5.759 37.279 1.00 62.20 C ATOM 303 CD2 PHE A 20 -2.670 -4.279 35.705 1.00 53.11 C ATOM 304 CE1 PHE A 20 -0.829 -6.251 36.289 1.00 64.11 C ATOM 305 CE2 PHE A 20 -1.844 -4.768 34.711 1.00 13.12 C ATOM 306 CZ PHE A 20 -0.923 -5.755 35.003 1.00 51.01 C ATOM 0 H PHE A 20 -4.390 -6.829 37.263 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.262 -4.757 39.168 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.702 -3.188 37.872 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -2.952 -4.269 39.030 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -1.578 -6.150 38.283 1.00 62.20 H new ATOM 0 HD2 PHE A 20 -3.389 -3.508 35.471 1.00 53.11 H new ATOM 0 HE1 PHE A 20 -0.109 -7.023 36.520 1.00 64.11 H new ATOM 0 HE2 PHE A 20 -1.919 -4.379 33.706 1.00 13.12 H new ATOM 0 HZ PHE A 20 -0.277 -6.139 34.227 1.00 51.01 H new ATOM 316 N GLN A 21 -6.705 -3.737 37.435 1.00 15.34 N ATOM 317 CA GLN A 21 -7.683 -3.260 36.468 1.00 22.42 C ATOM 318 C GLN A 21 -6.993 -2.555 35.303 1.00 75.54 C ATOM 319 O GLN A 21 -6.214 -1.622 35.502 1.00 3.30 O ATOM 320 CB GLN A 21 -8.671 -2.314 37.152 1.00 41.11 C ATOM 321 CG GLN A 21 -9.738 -1.772 36.220 1.00 63.45 C ATOM 322 CD GLN A 21 -10.826 -1.017 36.959 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.469 -1.559 37.858 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.038 0.238 36.583 1.00 51.02 N ATOM 0 H GLN A 21 -6.821 -3.355 38.374 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.227 -4.117 36.071 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.153 -2.840 37.976 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.121 -1.479 37.585 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.274 -1.111 35.488 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.185 -2.597 35.666 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -10.481 0.647 35.833 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -11.758 0.794 37.044 1.00 51.02 H new ATOM 333 N LEU A 22 -7.274 -3.016 34.087 1.00 10.45 N ATOM 334 CA LEU A 22 -6.670 -2.437 32.888 1.00 4.02 C ATOM 335 C LEU A 22 -7.521 -1.294 32.339 1.00 35.51 C ATOM 336 O LEU A 22 -7.006 -0.220 32.029 1.00 71.53 O ATOM 337 CB LEU A 22 -6.475 -3.516 31.822 1.00 12.14 C ATOM 338 CG LEU A 22 -6.029 -4.877 32.363 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.806 -5.858 31.222 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.765 -4.732 33.198 1.00 4.03 C ATOM 0 H LEU A 22 -7.915 -3.788 33.905 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.697 -2.029 33.161 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.412 -3.645 31.280 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.735 -3.166 31.102 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.820 -5.268 33.003 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -5.489 -6.820 31.626 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -6.734 -5.986 30.665 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.034 -5.472 30.556 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.463 -5.710 33.574 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -3.967 -4.318 32.581 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.958 -4.064 34.038 1.00 4.03 H new ATOM 352 N TYR A 23 -8.829 -1.521 32.242 1.00 34.05 N ATOM 353 CA TYR A 23 -9.744 -0.493 31.754 1.00 23.50 C ATOM 354 C TYR A 23 -10.121 0.440 32.902 1.00 25.40 C ATOM 355 O TYR A 23 -9.818 0.159 34.057 1.00 43.13 O ATOM 356 CB TYR A 23 -10.999 -1.125 31.153 1.00 63.45 C ATOM 357 CG TYR A 23 -11.250 -0.738 29.715 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.236 -0.791 28.771 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.507 -0.313 29.307 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.466 -0.432 27.457 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.747 0.048 27.998 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.725 -0.011 27.076 1.00 12.35 C ATOM 363 OH TYR A 23 -11.962 0.347 25.768 1.00 2.05 O ATOM 0 H TYR A 23 -9.277 -2.402 32.493 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.245 0.079 30.971 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.914 -2.210 31.218 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.862 -0.836 31.753 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.250 -1.118 29.068 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.311 -0.264 30.027 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.667 -0.480 26.732 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.731 0.375 27.697 1.00 71.50 H new ATOM 0 HH TYR A 23 -11.372 -0.165 25.177 1.00 2.05 H new ATOM 373 N PRO A 24 -10.776 1.569 32.610 1.00 32.24 N ATOM 374 CA PRO A 24 -11.171 2.539 33.628 1.00 11.05 C ATOM 375 C PRO A 24 -12.579 2.303 34.166 1.00 1.33 C ATOM 376 O PRO A 24 -13.290 1.403 33.718 1.00 21.12 O ATOM 377 CB PRO A 24 -11.140 3.829 32.828 1.00 65.33 C ATOM 378 CG PRO A 24 -11.709 3.412 31.517 1.00 43.20 C ATOM 379 CD PRO A 24 -11.174 2.022 31.264 1.00 63.42 C ATOM 0 HA PRO A 24 -10.531 2.508 34.510 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.736 4.612 33.298 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.127 4.218 32.725 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.799 3.413 31.545 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.409 4.097 30.724 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.932 1.371 30.827 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.329 2.034 30.576 1.00 63.42 H new ATOM 387 N GLY A 25 -12.978 3.147 35.109 1.00 62.31 N ATOM 388 CA GLY A 25 -14.306 3.068 35.691 1.00 55.53 C ATOM 389 C GLY A 25 -14.778 1.665 36.015 1.00 61.45 C ATOM 390 O GLY A 25 -14.007 0.819 36.468 1.00 31.03 O ATOM 0 H GLY A 25 -12.397 3.895 35.486 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.322 3.661 36.605 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.017 3.525 35.002 1.00 55.53 H new ATOM 394 N GLU A 26 -16.071 1.444 35.795 1.00 34.32 N ATOM 395 CA GLU A 26 -16.705 0.161 36.075 1.00 25.33 C ATOM 396 C GLU A 26 -16.422 -0.855 34.976 1.00 14.12 C ATOM 397 O GLU A 26 -16.193 -2.032 35.252 1.00 61.02 O ATOM 398 CB GLU A 26 -18.216 0.348 36.236 1.00 60.13 C ATOM 399 CG GLU A 26 -18.897 -0.779 36.996 1.00 32.34 C ATOM 400 CD GLU A 26 -18.720 -0.662 38.499 1.00 53.51 C ATOM 401 OE1 GLU A 26 -17.572 -0.465 38.948 1.00 61.30 O ATOM 402 OE2 GLU A 26 -19.731 -0.770 39.226 1.00 44.40 O ATOM 0 H GLU A 26 -16.706 2.148 35.419 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.284 -0.224 37.004 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.403 1.288 36.755 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.669 0.433 35.248 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.961 -0.781 36.759 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.494 -1.734 36.660 1.00 32.34 H new ATOM 409 N LEU A 27 -16.439 -0.402 33.729 1.00 43.20 N ATOM 410 CA LEU A 27 -16.184 -1.290 32.601 1.00 70.03 C ATOM 411 C LEU A 27 -14.911 -2.099 32.831 1.00 3.24 C ATOM 412 O LEU A 27 -14.903 -3.318 32.689 1.00 43.43 O ATOM 413 CB LEU A 27 -16.077 -0.494 31.305 1.00 42.54 C ATOM 414 CG LEU A 27 -16.608 -1.214 30.066 1.00 51.12 C ATOM 415 CD1 LEU A 27 -15.963 -2.579 29.914 1.00 14.22 C ATOM 416 CD2 LEU A 27 -18.121 -1.333 30.129 1.00 51.13 C ATOM 0 H LEU A 27 -16.625 0.568 33.474 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.023 -1.981 32.516 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.621 0.443 31.425 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -15.031 -0.237 31.138 1.00 42.54 H new ATOM 0 HG LEU A 27 -16.347 -0.623 29.188 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.358 -3.071 29.025 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -14.884 -2.462 29.815 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.184 -3.185 30.792 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.483 -1.848 29.239 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.405 -1.899 31.016 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.563 -0.338 30.177 1.00 51.13 H new ATOM 428 N GLY A 28 -13.835 -1.415 33.196 1.00 3.43 N ATOM 429 CA GLY A 28 -12.586 -2.104 33.452 1.00 70.33 C ATOM 430 C GLY A 28 -12.720 -3.138 34.550 1.00 53.45 C ATOM 431 O GLY A 28 -12.065 -4.180 34.511 1.00 64.53 O ATOM 0 H GLY A 28 -13.804 -0.403 33.319 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.246 -2.589 32.537 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.822 -1.378 33.730 1.00 70.33 H new ATOM 435 N LYS A 29 -13.575 -2.856 35.529 1.00 41.30 N ATOM 436 CA LYS A 29 -13.789 -3.787 36.635 1.00 11.31 C ATOM 437 C LYS A 29 -14.271 -5.145 36.125 1.00 74.12 C ATOM 438 O LYS A 29 -13.699 -6.182 36.462 1.00 50.10 O ATOM 439 CB LYS A 29 -14.796 -3.212 37.637 1.00 13.40 C ATOM 440 CG LYS A 29 -14.148 -2.641 38.889 1.00 74.43 C ATOM 441 CD LYS A 29 -14.272 -1.126 38.939 1.00 54.40 C ATOM 442 CE LYS A 29 -14.442 -0.622 40.364 1.00 33.14 C ATOM 443 NZ LYS A 29 -13.359 -1.112 41.262 1.00 73.52 N ATOM 0 H LYS A 29 -14.126 -1.999 35.580 1.00 41.30 H new ATOM 0 HA LYS A 29 -12.834 -3.930 37.140 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.376 -2.429 37.148 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.497 -3.995 37.925 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -14.616 -3.075 39.773 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.095 -2.922 38.916 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -13.385 -0.673 38.496 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -15.124 -0.811 38.337 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -14.448 0.468 40.365 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -15.408 -0.947 40.751 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -13.413 -0.616 42.174 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -13.472 -2.134 41.417 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -12.434 -0.929 40.823 1.00 73.52 H new ATOM 457 N ARG A 30 -15.330 -5.137 35.317 1.00 14.42 N ATOM 458 CA ARG A 30 -15.887 -6.377 34.773 1.00 74.43 C ATOM 459 C ARG A 30 -14.845 -7.136 33.952 1.00 51.04 C ATOM 460 O ARG A 30 -14.808 -8.361 33.980 1.00 65.32 O ATOM 461 CB ARG A 30 -17.141 -6.103 33.932 1.00 42.34 C ATOM 462 CG ARG A 30 -16.939 -5.066 32.844 1.00 12.00 C ATOM 463 CD ARG A 30 -18.264 -4.603 32.264 1.00 64.35 C ATOM 464 NE ARG A 30 -18.985 -3.732 33.189 1.00 14.55 N ATOM 465 CZ ARG A 30 -19.956 -4.145 34.002 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.343 -5.415 34.003 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.541 -3.284 34.823 1.00 70.40 N ATOM 0 H ARG A 30 -15.818 -4.291 35.025 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.177 -7.003 35.617 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.470 -7.036 33.474 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -17.943 -5.771 34.591 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.400 -4.210 33.251 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.320 -5.485 32.051 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.086 -4.072 31.329 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -18.880 -5.470 32.026 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.729 -2.745 33.214 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -19.896 -6.085 33.377 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.088 -5.721 34.630 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -20.247 -2.307 34.831 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -21.285 -3.598 35.446 1.00 70.40 H new ATOM 481 N ILE A 31 -13.992 -6.414 33.231 1.00 42.52 N ATOM 482 CA ILE A 31 -12.948 -7.058 32.435 1.00 44.44 C ATOM 483 C ILE A 31 -11.955 -7.732 33.358 1.00 73.55 C ATOM 484 O ILE A 31 -11.661 -8.920 33.231 1.00 62.43 O ATOM 485 CB ILE A 31 -12.206 -6.050 31.537 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.187 -5.375 30.588 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.097 -6.740 30.755 1.00 14.54 C ATOM 488 CD1 ILE A 31 -12.917 -3.906 30.402 1.00 24.11 C ATOM 0 H ILE A 31 -14.001 -5.395 33.180 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.427 -7.793 31.789 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.751 -5.289 32.171 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.144 -5.871 29.618 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.200 -5.506 30.969 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -10.586 -6.010 30.127 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.384 -7.184 31.450 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -11.526 -7.521 30.127 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.651 -3.485 29.715 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.988 -3.398 31.364 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -11.916 -3.769 29.992 1.00 24.11 H new ATOM 500 N TYR A 32 -11.466 -6.958 34.306 1.00 64.50 N ATOM 501 CA TYR A 32 -10.529 -7.452 35.289 1.00 23.32 C ATOM 502 C TYR A 32 -11.193 -8.529 36.152 1.00 71.21 C ATOM 503 O TYR A 32 -10.513 -9.298 36.831 1.00 4.24 O ATOM 504 CB TYR A 32 -10.038 -6.282 36.151 1.00 61.31 C ATOM 505 CG TYR A 32 -9.692 -6.652 37.574 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.681 -6.757 38.542 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.377 -6.893 37.946 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.367 -7.094 39.846 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.053 -7.231 39.244 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.051 -7.330 40.193 1.00 75.01 C ATOM 511 OH TYR A 32 -8.732 -7.665 41.490 1.00 23.44 O ATOM 0 H TYR A 32 -11.707 -5.973 34.415 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.672 -7.903 34.788 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.158 -5.844 35.679 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.808 -5.511 36.167 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.711 -6.573 38.273 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.594 -6.815 37.207 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.147 -7.172 40.589 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.025 -7.417 39.516 1.00 31.22 H new ATOM 0 HH TYR A 32 -7.764 -7.798 41.565 1.00 23.44 H new ATOM 521 N ASN A 33 -12.527 -8.560 36.141 1.00 73.34 N ATOM 522 CA ASN A 33 -13.270 -9.527 36.952 1.00 54.32 C ATOM 523 C ASN A 33 -13.778 -10.739 36.160 1.00 71.34 C ATOM 524 O ASN A 33 -13.570 -11.879 36.567 1.00 44.01 O ATOM 525 CB ASN A 33 -14.446 -8.837 37.643 1.00 0.31 C ATOM 526 CG ASN A 33 -14.052 -8.242 38.981 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.039 -8.623 39.567 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.854 -7.304 39.471 1.00 61.25 N ATOM 0 H ASN A 33 -13.110 -7.934 35.586 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.563 -9.910 37.688 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.834 -8.050 36.997 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.252 -9.556 37.790 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.641 -6.868 40.368 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.684 -7.019 38.950 1.00 61.25 H new ATOM 535 N GLU A 34 -14.486 -10.493 35.062 1.00 11.44 N ATOM 536 CA GLU A 34 -15.061 -11.580 34.267 1.00 12.01 C ATOM 537 C GLU A 34 -14.222 -11.947 33.041 1.00 33.04 C ATOM 538 O GLU A 34 -14.432 -13.000 32.445 1.00 14.34 O ATOM 539 CB GLU A 34 -16.477 -11.211 33.824 1.00 14.34 C ATOM 540 CG GLU A 34 -17.429 -10.966 34.985 1.00 71.44 C ATOM 541 CD GLU A 34 -18.732 -11.729 34.844 1.00 43.43 C ATOM 542 OE1 GLU A 34 -19.120 -12.031 33.696 1.00 51.51 O ATOM 543 OE2 GLU A 34 -19.364 -12.023 35.879 1.00 60.04 O ATOM 0 H GLU A 34 -14.676 -9.558 34.702 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.078 -12.457 34.913 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.434 -10.316 33.204 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -16.875 -12.012 33.200 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -16.942 -11.256 35.916 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -17.643 -9.900 35.055 1.00 71.44 H new ATOM 550 N ILE A 35 -13.286 -11.091 32.654 1.00 41.23 N ATOM 551 CA ILE A 35 -12.450 -11.370 31.489 1.00 15.01 C ATOM 552 C ILE A 35 -11.040 -11.781 31.899 1.00 22.10 C ATOM 553 O ILE A 35 -10.231 -10.950 32.304 1.00 72.42 O ATOM 554 CB ILE A 35 -12.377 -10.157 30.537 1.00 65.24 C ATOM 555 CG1 ILE A 35 -13.785 -9.753 30.089 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.507 -10.476 29.327 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.621 -10.918 29.615 1.00 44.35 C ATOM 0 H ILE A 35 -13.086 -10.207 33.122 1.00 41.23 H new ATOM 0 HA ILE A 35 -12.919 -12.200 30.961 1.00 15.01 H new ATOM 0 HB ILE A 35 -11.925 -9.322 31.073 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.295 -9.263 30.918 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -13.706 -9.021 29.285 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.468 -9.609 28.668 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.499 -10.725 29.659 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -11.931 -11.323 28.787 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.605 -10.560 29.313 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.132 -11.395 28.766 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.730 -11.641 30.424 1.00 44.35 H new ATOM 569 N SER A 36 -10.754 -13.076 31.783 1.00 32.24 N ATOM 570 CA SER A 36 -9.442 -13.607 32.134 1.00 70.31 C ATOM 571 C SER A 36 -8.358 -13.013 31.237 1.00 1.11 C ATOM 572 O SER A 36 -8.656 -12.387 30.220 1.00 2.44 O ATOM 573 CB SER A 36 -9.435 -15.132 32.019 1.00 53.15 C ATOM 574 OG SER A 36 -9.791 -15.549 30.713 1.00 41.34 O ATOM 0 H SER A 36 -11.415 -13.777 31.448 1.00 32.24 H new ATOM 0 HA SER A 36 -9.230 -13.328 33.166 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.445 -15.514 32.268 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.131 -15.557 32.742 1.00 53.15 H new ATOM 0 HG SER A 36 -10.756 -15.438 30.586 1.00 41.34 H new ATOM 580 N LYS A 37 -7.103 -13.216 31.621 1.00 42.00 N ATOM 581 CA LYS A 37 -5.975 -12.700 30.854 1.00 52.25 C ATOM 582 C LYS A 37 -5.968 -13.271 29.437 1.00 52.31 C ATOM 583 O LYS A 37 -5.492 -12.627 28.502 1.00 14.05 O ATOM 584 CB LYS A 37 -4.657 -13.029 31.559 1.00 71.22 C ATOM 585 CG LYS A 37 -4.381 -12.155 32.774 1.00 2.54 C ATOM 586 CD LYS A 37 -2.981 -12.384 33.325 1.00 32.52 C ATOM 587 CE LYS A 37 -2.018 -11.293 32.882 1.00 55.32 C ATOM 588 NZ LYS A 37 -0.843 -11.846 32.150 1.00 43.10 N ATOM 0 H LYS A 37 -6.841 -13.735 32.459 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.081 -11.617 30.786 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.672 -14.074 31.869 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -3.837 -12.919 30.849 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.498 -11.106 32.502 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.117 -12.367 33.550 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -3.019 -12.416 34.414 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.612 -13.353 32.990 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -2.543 -10.585 32.241 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -1.673 -10.738 33.755 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -0.213 -11.068 31.867 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -0.326 -12.502 32.769 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.169 -12.353 31.303 1.00 43.10 H new ATOM 602 N GLU A 38 -6.498 -14.481 29.283 1.00 41.40 N ATOM 603 CA GLU A 38 -6.548 -15.135 27.980 1.00 54.20 C ATOM 604 C GLU A 38 -7.556 -14.454 27.056 1.00 31.43 C ATOM 605 O GLU A 38 -7.274 -14.220 25.881 1.00 60.21 O ATOM 606 CB GLU A 38 -6.907 -16.614 28.138 1.00 41.40 C ATOM 607 CG GLU A 38 -6.760 -17.413 26.853 1.00 62.41 C ATOM 608 CD GLU A 38 -6.677 -18.907 27.101 1.00 30.14 C ATOM 609 OE1 GLU A 38 -5.804 -19.331 27.889 1.00 54.15 O ATOM 610 OE2 GLU A 38 -7.482 -19.654 26.507 1.00 72.33 O ATOM 0 H GLU A 38 -6.899 -15.028 30.045 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.559 -15.052 27.530 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -6.271 -17.054 28.905 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -7.935 -16.695 28.491 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -7.607 -17.203 26.200 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.864 -17.086 26.327 1.00 62.41 H new ATOM 617 N ALA A 39 -8.732 -14.136 27.593 1.00 51.41 N ATOM 618 CA ALA A 39 -9.775 -13.481 26.809 1.00 63.44 C ATOM 619 C ALA A 39 -9.356 -12.069 26.415 1.00 13.12 C ATOM 620 O ALA A 39 -9.689 -11.592 25.330 1.00 44.04 O ATOM 621 CB ALA A 39 -11.087 -13.453 27.585 1.00 12.31 C ATOM 0 H ALA A 39 -8.985 -14.321 28.564 1.00 51.41 H new ATOM 0 HA ALA A 39 -9.924 -14.056 25.895 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -11.854 -12.961 26.986 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.400 -14.473 27.808 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -10.947 -12.905 28.517 1.00 12.31 H new ATOM 627 N TRP A 40 -8.617 -11.408 27.299 1.00 21.45 N ATOM 628 CA TRP A 40 -8.144 -10.052 27.041 1.00 64.40 C ATOM 629 C TRP A 40 -7.181 -10.037 25.857 1.00 11.24 C ATOM 630 O TRP A 40 -7.129 -9.072 25.097 1.00 3.30 O ATOM 631 CB TRP A 40 -7.458 -9.485 28.284 1.00 22.34 C ATOM 632 CG TRP A 40 -7.209 -8.008 28.218 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.001 -7.377 28.316 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.188 -6.975 28.052 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.169 -6.015 28.222 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.503 -5.743 28.059 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.577 -6.972 27.895 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.165 -4.522 27.920 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.229 -5.762 27.756 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.524 -4.552 27.771 1.00 72.40 C ATOM 0 H TRP A 40 -8.332 -11.789 28.201 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.004 -9.428 26.797 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.073 -9.701 29.157 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.507 -9.998 28.429 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.052 -7.875 28.448 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.423 -5.321 28.266 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.131 -7.899 27.883 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.624 -3.588 27.930 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.302 -5.749 27.634 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.065 -3.623 27.663 1.00 72.40 H new ATOM 651 N ALA A 41 -6.427 -11.122 25.703 1.00 22.20 N ATOM 652 CA ALA A 41 -5.475 -11.239 24.606 1.00 53.14 C ATOM 653 C ALA A 41 -6.197 -11.345 23.266 1.00 42.33 C ATOM 654 O ALA A 41 -5.627 -11.047 22.217 1.00 53.05 O ATOM 655 CB ALA A 41 -4.561 -12.440 24.822 1.00 23.01 C ATOM 0 H ALA A 41 -6.458 -11.931 26.324 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.863 -10.337 24.587 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.856 -12.514 23.994 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.013 -12.317 25.756 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.160 -13.349 24.870 1.00 23.01 H new ATOM 661 N GLN A 42 -7.462 -11.754 23.312 1.00 45.32 N ATOM 662 CA GLN A 42 -8.271 -11.878 22.105 1.00 24.31 C ATOM 663 C GLN A 42 -8.863 -10.527 21.731 1.00 23.11 C ATOM 664 O GLN A 42 -8.987 -10.193 20.552 1.00 73.11 O ATOM 665 CB GLN A 42 -9.376 -12.914 22.313 1.00 64.34 C ATOM 666 CG GLN A 42 -8.876 -14.201 22.953 1.00 12.21 C ATOM 667 CD GLN A 42 -9.414 -15.445 22.275 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.026 -15.372 21.209 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.185 -16.598 22.893 1.00 44.42 N ATOM 0 H GLN A 42 -7.948 -12.005 24.173 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.636 -12.215 21.286 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -10.156 -12.483 22.940 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.833 -13.147 21.351 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.787 -14.218 22.920 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -9.163 -14.213 24.004 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.673 -16.611 23.775 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.521 -17.471 22.485 1.00 44.42 H new ATOM 678 N TRP A 43 -9.214 -9.740 22.747 1.00 55.12 N ATOM 679 CA TRP A 43 -9.773 -8.415 22.524 1.00 54.33 C ATOM 680 C TRP A 43 -8.676 -7.450 22.089 1.00 32.20 C ATOM 681 O TRP A 43 -8.803 -6.775 21.071 1.00 45.45 O ATOM 682 CB TRP A 43 -10.460 -7.891 23.793 1.00 21.24 C ATOM 683 CG TRP A 43 -10.571 -6.396 23.830 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.986 -5.553 24.729 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.293 -5.568 22.913 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.309 -4.251 24.435 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.111 -4.233 23.323 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.080 -5.826 21.787 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.686 -3.162 22.645 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.649 -4.761 21.115 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.448 -3.443 21.546 1.00 23.41 C ATOM 0 H TRP A 43 -9.120 -9.999 23.729 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.520 -8.488 21.734 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.457 -8.325 23.864 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.902 -8.229 24.666 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.360 -5.864 25.552 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.002 -3.431 24.958 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.240 -6.839 21.448 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.535 -2.145 22.976 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.259 -4.948 20.243 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -12.905 -2.632 20.998 1.00 23.41 H new ATOM 702 N GLN A 44 -7.598 -7.394 22.871 1.00 51.52 N ATOM 703 CA GLN A 44 -6.471 -6.514 22.570 1.00 3.30 C ATOM 704 C GLN A 44 -6.123 -6.575 21.087 1.00 74.45 C ATOM 705 O GLN A 44 -5.828 -5.557 20.464 1.00 32.54 O ATOM 706 CB GLN A 44 -5.252 -6.905 23.408 1.00 73.54 C ATOM 707 CG GLN A 44 -5.450 -6.711 24.901 1.00 4.42 C ATOM 708 CD GLN A 44 -4.639 -5.556 25.452 1.00 41.44 C ATOM 709 OE1 GLN A 44 -3.541 -5.746 25.975 1.00 2.02 O ATOM 710 NE2 GLN A 44 -5.175 -4.346 25.334 1.00 2.33 N ATOM 0 H GLN A 44 -7.482 -7.949 23.719 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.760 -5.493 22.819 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -5.010 -7.950 23.215 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.395 -6.314 23.084 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.507 -6.537 25.104 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.172 -7.627 25.423 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -6.088 -4.233 24.893 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -4.673 -3.530 25.684 1.00 2.33 H new ATOM 719 N HIS A 45 -6.173 -7.780 20.533 1.00 5.13 N ATOM 720 CA HIS A 45 -5.878 -7.980 19.123 1.00 12.51 C ATOM 721 C HIS A 45 -6.911 -7.264 18.260 1.00 52.13 C ATOM 722 O HIS A 45 -6.564 -6.547 17.323 1.00 22.04 O ATOM 723 CB HIS A 45 -5.861 -9.473 18.790 1.00 61.45 C ATOM 724 CG HIS A 45 -5.835 -9.754 17.321 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.678 -9.767 16.573 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.842 -10.017 16.458 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.972 -10.023 15.312 1.00 42.21 C ATOM 728 NE2 HIS A 45 -6.279 -10.180 15.215 1.00 45.21 N ATOM 0 H HIS A 45 -6.415 -8.632 21.039 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.893 -7.562 18.913 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.989 -9.932 19.256 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.741 -9.945 19.227 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.892 -10.086 16.700 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -4.264 -10.092 14.499 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.789 -10.389 14.356 1.00 45.21 H new ATOM 736 N LYS A 46 -8.181 -7.463 18.588 1.00 55.53 N ATOM 737 CA LYS A 46 -9.270 -6.834 17.853 1.00 40.11 C ATOM 738 C LYS A 46 -9.337 -5.341 18.161 1.00 73.41 C ATOM 739 O LYS A 46 -9.815 -4.551 17.353 1.00 51.20 O ATOM 740 CB LYS A 46 -10.598 -7.512 18.209 1.00 2.14 C ATOM 741 CG LYS A 46 -11.792 -6.980 17.433 1.00 34.23 C ATOM 742 CD LYS A 46 -12.323 -8.010 16.450 1.00 13.22 C ATOM 743 CE LYS A 46 -13.463 -7.450 15.612 1.00 12.15 C ATOM 744 NZ LYS A 46 -13.389 -7.905 14.195 1.00 74.13 N ATOM 0 H LYS A 46 -8.483 -8.057 19.361 1.00 55.53 H new ATOM 0 HA LYS A 46 -9.085 -6.953 16.785 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.508 -8.583 18.027 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.785 -7.384 19.275 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.583 -6.698 18.128 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.504 -6.077 16.895 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.516 -8.338 15.795 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -12.669 -8.889 16.994 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -14.415 -7.759 16.043 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.436 -6.361 15.645 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -13.286 -7.080 13.570 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -12.570 -8.534 14.075 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -14.259 -8.419 13.949 1.00 74.13 H new ATOM 758 N GLN A 47 -8.845 -4.958 19.335 1.00 52.34 N ATOM 759 CA GLN A 47 -8.847 -3.560 19.740 1.00 41.35 C ATOM 760 C GLN A 47 -7.919 -2.739 18.853 1.00 55.42 C ATOM 761 O GLN A 47 -8.334 -1.756 18.242 1.00 61.23 O ATOM 762 CB GLN A 47 -8.411 -3.426 21.202 1.00 50.34 C ATOM 763 CG GLN A 47 -8.420 -1.993 21.704 1.00 75.45 C ATOM 764 CD GLN A 47 -7.875 -1.856 23.113 1.00 54.04 C ATOM 765 OE1 GLN A 47 -8.275 -2.586 24.019 1.00 60.30 O ATOM 766 NE2 GLN A 47 -6.958 -0.915 23.303 1.00 24.34 N ATOM 0 H GLN A 47 -8.441 -5.596 20.020 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.863 -3.181 19.633 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.072 -4.027 21.827 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.407 -3.836 21.313 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -7.829 -1.374 21.030 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.440 -1.610 21.676 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -6.656 -0.332 22.522 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -6.556 -0.775 24.230 1.00 24.34 H new ATOM 775 N THR A 48 -6.657 -3.148 18.799 1.00 2.31 N ATOM 776 CA THR A 48 -5.655 -2.449 18.001 1.00 41.14 C ATOM 777 C THR A 48 -6.134 -2.209 16.569 1.00 32.32 C ATOM 778 O THR A 48 -5.889 -1.144 16.001 1.00 11.51 O ATOM 779 CB THR A 48 -4.342 -3.233 17.996 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.318 -2.500 17.338 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.452 -4.589 17.329 1.00 22.44 C ATOM 0 H THR A 48 -6.302 -3.963 19.300 1.00 2.31 H new ATOM 0 HA THR A 48 -5.490 -1.474 18.460 1.00 41.14 H new ATOM 0 HB THR A 48 -4.096 -3.389 19.046 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.487 -3.019 17.348 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.484 -5.090 17.361 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.191 -5.194 17.854 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.759 -4.460 16.291 1.00 22.44 H new ATOM 789 N MET A 49 -6.813 -3.192 15.982 1.00 63.31 N ATOM 790 CA MET A 49 -7.307 -3.052 14.615 1.00 24.21 C ATOM 791 C MET A 49 -8.569 -2.199 14.580 1.00 40.42 C ATOM 792 O MET A 49 -8.720 -1.340 13.712 1.00 5.35 O ATOM 793 CB MET A 49 -7.575 -4.418 13.978 1.00 25.43 C ATOM 794 CG MET A 49 -8.326 -5.391 14.871 1.00 13.45 C ATOM 795 SD MET A 49 -8.939 -6.823 13.964 1.00 74.20 S ATOM 796 CE MET A 49 -10.668 -6.389 13.793 1.00 41.13 C ATOM 0 H MET A 49 -7.032 -4.084 16.426 1.00 63.31 H new ATOM 0 HA MET A 49 -6.531 -2.552 14.035 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.145 -4.272 13.061 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.623 -4.866 13.694 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.668 -5.726 15.673 1.00 13.45 H new ATOM 0 HG3 MET A 49 -9.164 -4.876 15.341 1.00 13.45 H new ATOM 0 HE1 MET A 49 -11.182 -7.161 13.220 1.00 41.13 H new ATOM 0 HE2 MET A 49 -11.122 -6.307 14.781 1.00 41.13 H new ATOM 0 HE3 MET A 49 -10.754 -5.434 13.274 1.00 41.13 H new ATOM 806 N LEU A 50 -9.471 -2.430 15.528 1.00 10.12 N ATOM 807 CA LEU A 50 -10.714 -1.669 15.599 1.00 72.50 C ATOM 808 C LEU A 50 -10.424 -0.170 15.649 1.00 24.05 C ATOM 809 O LEU A 50 -11.246 0.643 15.237 1.00 31.33 O ATOM 810 CB LEU A 50 -11.531 -2.090 16.820 1.00 35.02 C ATOM 811 CG LEU A 50 -12.320 -3.392 16.658 1.00 62.32 C ATOM 812 CD1 LEU A 50 -13.104 -3.704 17.924 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.248 -3.311 15.454 1.00 64.03 C ATOM 0 H LEU A 50 -9.366 -3.136 16.256 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.295 -1.880 14.701 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.857 -2.196 17.670 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.229 -1.289 17.064 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.612 -4.203 16.487 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.658 -4.633 17.789 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.415 -3.811 18.762 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.802 -2.892 18.129 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.800 -4.246 15.356 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.950 -2.488 15.590 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.660 -3.141 14.552 1.00 64.03 H new ATOM 825 N ILE A 51 -9.245 0.185 16.151 1.00 21.21 N ATOM 826 CA ILE A 51 -8.844 1.584 16.244 1.00 51.32 C ATOM 827 C ILE A 51 -8.239 2.063 14.931 1.00 51.43 C ATOM 828 O ILE A 51 -8.514 3.173 14.474 1.00 23.00 O ATOM 829 CB ILE A 51 -7.826 1.794 17.388 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.446 1.386 18.725 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.351 3.244 17.438 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.514 1.566 19.900 1.00 32.24 C ATOM 0 H ILE A 51 -8.551 -0.477 16.499 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.740 2.168 16.457 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.958 1.163 17.196 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.348 1.974 18.893 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.752 0.341 18.671 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.636 3.365 18.252 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.873 3.503 16.493 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.205 3.901 17.605 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.019 1.257 20.815 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.622 0.956 19.754 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.227 2.615 19.980 1.00 32.24 H new ATOM 844 N ASN A 52 -7.408 1.220 14.334 1.00 53.30 N ATOM 845 CA ASN A 52 -6.751 1.546 13.077 1.00 52.52 C ATOM 846 C ASN A 52 -7.729 1.487 11.906 1.00 23.31 C ATOM 847 O ASN A 52 -7.636 2.277 10.966 1.00 63.50 O ATOM 848 CB ASN A 52 -5.593 0.578 12.837 1.00 74.33 C ATOM 849 CG ASN A 52 -4.374 0.912 13.676 1.00 12.23 C ATOM 850 OD1 ASN A 52 -3.875 2.038 13.649 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.886 -0.067 14.430 1.00 75.53 N ATOM 0 H ASN A 52 -7.172 0.299 14.704 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.371 2.565 13.146 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.919 -0.437 13.064 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.320 0.597 11.782 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -3.068 0.100 15.016 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -4.330 -0.985 14.423 1.00 75.53 H new ATOM 858 N GLU A 53 -8.662 0.541 11.963 1.00 22.35 N ATOM 859 CA GLU A 53 -9.650 0.374 10.902 1.00 2.12 C ATOM 860 C GLU A 53 -10.751 1.429 10.995 1.00 0.01 C ATOM 861 O GLU A 53 -11.037 2.124 10.020 1.00 44.44 O ATOM 862 CB GLU A 53 -10.257 -1.030 10.953 1.00 54.44 C ATOM 863 CG GLU A 53 -9.981 -1.854 9.706 1.00 72.53 C ATOM 864 CD GLU A 53 -8.951 -2.943 9.941 1.00 60.14 C ATOM 865 OE1 GLU A 53 -7.790 -2.605 10.252 1.00 3.25 O ATOM 866 OE2 GLU A 53 -9.306 -4.134 9.815 1.00 64.12 O ATOM 0 H GLU A 53 -8.755 -0.122 12.733 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.139 0.504 9.948 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.862 -1.557 11.822 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -11.335 -0.947 11.093 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -10.911 -2.307 9.361 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -9.633 -1.196 8.910 1.00 72.53 H new ATOM 873 N LYS A 54 -11.365 1.550 12.169 1.00 2.21 N ATOM 874 CA LYS A 54 -12.428 2.530 12.369 1.00 51.31 C ATOM 875 C LYS A 54 -11.853 3.932 12.550 1.00 13.10 C ATOM 876 O LYS A 54 -12.595 4.911 12.629 1.00 20.24 O ATOM 877 CB LYS A 54 -13.286 2.166 13.582 1.00 24.31 C ATOM 878 CG LYS A 54 -14.203 0.979 13.345 1.00 71.11 C ATOM 879 CD LYS A 54 -13.501 -0.334 13.648 1.00 44.52 C ATOM 880 CE LYS A 54 -14.073 -1.476 12.823 1.00 52.22 C ATOM 881 NZ LYS A 54 -15.528 -1.672 13.075 1.00 54.31 N ATOM 0 H LYS A 54 -11.147 0.986 12.991 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.055 2.519 11.477 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.632 1.946 14.426 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.889 3.030 13.862 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.090 1.072 13.972 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.543 0.981 12.309 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.435 -0.234 13.442 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.601 -0.565 14.709 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -13.912 -1.274 11.764 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -13.537 -2.396 13.057 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -15.856 -2.521 12.572 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -15.691 -1.789 14.095 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -16.054 -0.843 12.733 1.00 54.31 H new ATOM 895 N LYS A 55 -10.526 4.023 12.621 1.00 43.42 N ATOM 896 CA LYS A 55 -9.855 5.304 12.796 1.00 74.11 C ATOM 897 C LYS A 55 -10.256 5.947 14.121 1.00 31.21 C ATOM 898 O LYS A 55 -10.849 7.026 14.146 1.00 5.25 O ATOM 899 CB LYS A 55 -10.188 6.240 11.631 1.00 72.23 C ATOM 900 CG LYS A 55 -9.475 5.877 10.339 1.00 12.00 C ATOM 901 CD LYS A 55 -10.214 6.414 9.123 1.00 1.15 C ATOM 902 CE LYS A 55 -9.249 6.805 8.015 1.00 24.22 C ATOM 903 NZ LYS A 55 -9.805 7.881 7.149 1.00 61.25 N ATOM 0 H LYS A 55 -9.896 3.223 12.560 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.779 5.129 12.811 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.264 6.225 11.459 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.924 7.260 11.908 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -8.462 6.278 10.357 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -9.387 4.793 10.263 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -10.907 5.658 8.754 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -10.810 7.280 9.411 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -8.309 7.141 8.454 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -9.022 5.930 7.406 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -9.117 8.119 6.406 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -10.688 7.552 6.710 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -9.998 8.725 7.725 1.00 61.25 H new ATOM 917 N LEU A 56 -9.928 5.276 15.222 1.00 30.41 N ATOM 918 CA LEU A 56 -10.252 5.779 16.549 1.00 52.41 C ATOM 919 C LEU A 56 -9.123 6.651 17.094 1.00 51.14 C ATOM 920 O LEU A 56 -8.154 6.935 16.392 1.00 44.51 O ATOM 921 CB LEU A 56 -10.525 4.604 17.491 1.00 75.54 C ATOM 922 CG LEU A 56 -11.844 3.870 17.235 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.066 2.792 18.281 1.00 32.03 C ATOM 924 CD2 LEU A 56 -13.006 4.853 17.220 1.00 14.14 C ATOM 0 H LEU A 56 -9.437 4.382 15.219 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.146 6.398 16.480 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.706 3.890 17.406 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.523 4.971 18.517 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.788 3.390 16.258 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -13.008 2.281 18.083 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.248 2.073 18.241 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.101 3.247 19.271 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.936 4.314 17.037 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.065 5.362 18.182 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.851 5.588 16.430 1.00 14.14 H new ATOM 936 N ASN A 57 -9.254 7.072 18.349 1.00 32.03 N ATOM 937 CA ASN A 57 -8.247 7.912 18.988 1.00 20.43 C ATOM 938 C ASN A 57 -8.348 7.811 20.509 1.00 1.23 C ATOM 939 O ASN A 57 -9.208 8.434 21.130 1.00 1.02 O ATOM 940 CB ASN A 57 -8.411 9.367 18.546 1.00 15.31 C ATOM 941 CG ASN A 57 -7.096 9.991 18.118 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.641 9.795 16.993 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.480 10.751 19.017 1.00 70.12 N ATOM 0 H ASN A 57 -10.050 6.844 18.944 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.262 7.559 18.682 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.120 9.415 17.719 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.836 9.947 19.365 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.593 11.199 18.785 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -6.894 10.887 19.939 1.00 70.12 H new ATOM 950 N MET A 58 -7.467 7.010 21.095 1.00 5.10 N ATOM 951 CA MET A 58 -7.447 6.804 22.539 1.00 4.22 C ATOM 952 C MET A 58 -7.159 8.099 23.293 1.00 4.32 C ATOM 953 O MET A 58 -7.385 8.185 24.499 1.00 31.45 O ATOM 954 CB MET A 58 -6.405 5.744 22.907 1.00 30.22 C ATOM 955 CG MET A 58 -5.065 5.940 22.213 1.00 34.55 C ATOM 956 SD MET A 58 -4.570 4.509 21.234 1.00 24.45 S ATOM 957 CE MET A 58 -5.940 4.399 20.089 1.00 24.34 C ATOM 0 H MET A 58 -6.752 6.488 20.588 1.00 5.10 H new ATOM 0 HA MET A 58 -8.438 6.459 22.835 1.00 4.22 H new ATOM 0 HB2 MET A 58 -6.251 5.757 23.986 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.796 4.759 22.653 1.00 30.22 H new ATOM 0 HG2 MET A 58 -5.121 6.816 21.566 1.00 34.55 H new ATOM 0 HG3 MET A 58 -4.300 6.145 22.962 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.800 3.538 19.436 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.871 4.286 20.645 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.985 5.307 19.487 1.00 24.34 H new ATOM 967 N MET A 59 -6.659 9.107 22.586 1.00 1.01 N ATOM 968 CA MET A 59 -6.349 10.386 23.214 1.00 74.53 C ATOM 969 C MET A 59 -7.610 11.231 23.394 1.00 71.54 C ATOM 970 O MET A 59 -7.572 12.288 24.026 1.00 44.32 O ATOM 971 CB MET A 59 -5.319 11.153 22.380 1.00 2.02 C ATOM 972 CG MET A 59 -3.970 11.306 23.064 1.00 24.22 C ATOM 973 SD MET A 59 -3.702 12.965 23.720 1.00 11.43 S ATOM 974 CE MET A 59 -2.116 12.757 24.526 1.00 3.04 C ATOM 0 H MET A 59 -6.461 9.064 21.586 1.00 1.01 H new ATOM 0 HA MET A 59 -5.930 10.183 24.199 1.00 74.53 H new ATOM 0 HB2 MET A 59 -5.178 10.638 21.430 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.714 12.143 22.151 1.00 2.02 H new ATOM 0 HG2 MET A 59 -3.896 10.583 23.876 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.178 11.069 22.353 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.813 13.700 24.981 1.00 3.04 H new ATOM 0 HE2 MET A 59 -2.197 11.991 25.297 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.371 12.453 23.790 1.00 3.04 H new ATOM 984 N ASN A 60 -8.723 10.762 22.836 1.00 72.24 N ATOM 985 CA ASN A 60 -9.987 11.478 22.943 1.00 13.25 C ATOM 986 C ASN A 60 -11.042 10.611 23.618 1.00 2.34 C ATOM 987 O ASN A 60 -11.252 9.460 23.235 1.00 73.54 O ATOM 988 CB ASN A 60 -10.469 11.911 21.558 1.00 54.23 C ATOM 989 CG ASN A 60 -10.843 13.380 21.513 1.00 60.15 C ATOM 990 OD1 ASN A 60 -10.047 14.221 21.096 1.00 45.25 O ATOM 991 ND2 ASN A 60 -12.056 13.695 21.946 1.00 43.22 N ATOM 0 H ASN A 60 -8.773 9.891 22.307 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.827 12.366 23.555 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.686 11.715 20.825 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.332 11.310 21.271 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.362 14.668 21.942 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.683 12.964 22.283 1.00 43.22 H new ATOM 998 N ALA A 61 -11.709 11.168 24.624 1.00 10.14 N ATOM 999 CA ALA A 61 -12.745 10.443 25.348 1.00 75.00 C ATOM 1000 C ALA A 61 -13.855 9.994 24.406 1.00 54.22 C ATOM 1001 O ALA A 61 -14.498 8.970 24.632 1.00 53.14 O ATOM 1002 CB ALA A 61 -13.314 11.310 26.463 1.00 34.33 C ATOM 0 H ALA A 61 -11.550 12.119 24.956 1.00 10.14 H new ATOM 0 HA ALA A 61 -12.294 9.554 25.789 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -14.087 10.756 26.996 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.518 11.580 27.156 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.745 12.215 26.036 1.00 34.33 H new ATOM 1008 N GLU A 62 -14.072 10.770 23.348 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.107 10.463 22.365 1.00 72.21 C ATOM 1010 C GLU A 62 -14.891 9.092 21.735 1.00 14.54 C ATOM 1011 O GLU A 62 -15.827 8.305 21.599 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.127 11.532 21.273 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.493 11.721 20.635 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.470 12.714 19.490 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -15.608 13.618 19.506 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -17.312 12.587 18.577 1.00 50.21 O ATOM 0 H GLU A 62 -13.543 11.619 23.149 1.00 55.43 H new ATOM 0 HA GLU A 62 -16.065 10.451 22.885 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.799 12.481 21.698 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.407 11.264 20.500 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.855 10.760 20.270 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.199 12.062 21.392 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.649 8.806 21.357 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.318 7.523 20.748 1.00 60.41 C ATOM 1025 C HIS A 63 -13.047 6.480 21.820 1.00 12.50 C ATOM 1026 O HIS A 63 -13.399 5.310 21.671 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.095 7.653 19.845 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.336 8.454 18.603 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.365 8.663 17.648 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.443 9.095 18.159 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.859 9.398 16.670 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.119 9.675 16.954 1.00 33.54 N ATOM 0 H HIS A 63 -12.859 9.442 21.461 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.171 7.207 20.147 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.286 8.114 20.411 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.758 6.656 19.562 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.400 9.142 18.657 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.325 9.718 15.788 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.749 10.229 16.374 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.415 6.917 22.904 1.00 13.31 N ATOM 1041 CA ARG A 64 -12.089 6.032 24.013 1.00 25.03 C ATOM 1042 C ARG A 64 -13.319 5.243 24.454 1.00 71.40 C ATOM 1043 O ARG A 64 -13.265 4.022 24.602 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.548 6.843 25.188 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.621 6.055 26.097 1.00 33.11 C ATOM 1046 CD ARG A 64 -9.218 5.969 25.520 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.439 4.897 26.130 1.00 14.00 N ATOM 1048 CZ ARG A 64 -8.678 3.601 25.939 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -9.676 3.210 25.155 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -7.917 2.694 26.533 1.00 33.54 N ATOM 0 H ARG A 64 -12.118 7.884 23.037 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.326 5.329 23.678 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -11.014 7.712 24.803 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.386 7.219 25.775 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.584 6.527 27.079 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -11.019 5.050 26.242 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.278 5.806 24.444 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.706 6.919 25.670 1.00 61.24 H new ATOM 0 HE ARG A 64 -7.664 5.156 26.740 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -10.265 3.904 24.695 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -9.854 2.216 25.013 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -7.149 2.989 27.136 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -8.099 1.701 26.387 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.428 5.948 24.659 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.669 5.310 25.077 1.00 31.33 C ATOM 1066 C LYS A 65 -16.211 4.403 23.976 1.00 61.24 C ATOM 1067 O LYS A 65 -16.938 3.450 24.250 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.719 6.358 25.463 1.00 52.43 C ATOM 1069 CG LYS A 65 -17.005 7.376 24.370 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.495 7.652 24.237 1.00 51.14 C ATOM 1071 CE LYS A 65 -19.187 6.604 23.378 1.00 42.14 C ATOM 1072 NZ LYS A 65 -20.240 5.875 24.137 1.00 60.30 N ATOM 0 H LYS A 65 -14.491 6.959 24.542 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.451 4.699 25.953 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.647 5.849 25.724 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.382 6.884 26.356 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.481 8.306 24.592 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.616 7.009 23.420 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.951 7.671 25.227 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.645 8.639 23.798 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -19.633 7.085 22.507 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -18.449 5.893 23.006 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -20.389 4.938 23.711 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -19.939 5.761 25.126 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -21.128 6.415 24.105 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.844 4.695 22.730 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.295 3.886 21.605 1.00 65.44 C ATOM 1088 C LEU A 66 -15.715 2.478 21.708 1.00 64.34 C ATOM 1089 O LEU A 66 -16.447 1.491 21.628 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.900 4.532 20.274 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.952 4.417 19.167 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.818 5.668 19.115 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -16.290 4.171 17.819 1.00 64.02 C ATOM 0 H LEU A 66 -15.241 5.478 22.477 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.383 3.823 21.639 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.689 5.587 20.447 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.974 4.075 19.925 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.593 3.565 19.395 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.559 5.565 18.322 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -18.326 5.799 20.071 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -17.191 6.537 18.915 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -17.055 4.092 17.047 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.622 5.000 17.585 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.718 3.244 17.858 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.401 2.391 21.913 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.737 1.099 22.055 1.00 22.20 C ATOM 1107 C LEU A 67 -14.439 0.279 23.131 1.00 1.33 C ATOM 1108 O LEU A 67 -14.699 -0.913 22.959 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.262 1.293 22.429 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.254 1.057 21.301 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.847 0.983 21.865 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.582 -0.217 20.534 1.00 25.32 C ATOM 0 H LEU A 67 -13.779 3.196 21.984 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.788 0.570 21.103 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -12.131 2.309 22.801 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -12.023 0.619 23.252 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.315 1.896 20.607 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -9.138 0.815 21.054 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.607 1.920 22.368 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.784 0.161 22.578 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.851 -0.361 19.738 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.552 -1.069 21.213 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.579 -0.134 20.100 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.757 0.946 24.236 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.450 0.319 25.354 1.00 31.11 C ATOM 1126 C GLU A 68 -16.732 -0.361 24.871 1.00 33.44 C ATOM 1127 O GLU A 68 -17.223 -1.305 25.494 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.761 1.380 26.415 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.531 0.864 27.610 1.00 52.31 C ATOM 1130 CD GLU A 68 -17.599 1.834 28.078 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -17.262 2.753 28.856 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -18.767 1.676 27.668 1.00 60.33 O ATOM 0 H GLU A 68 -14.542 1.933 24.381 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.812 -0.446 25.795 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.823 1.814 26.762 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -16.332 2.184 25.950 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.997 -0.088 27.354 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -15.838 0.670 28.428 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.257 0.125 23.750 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.470 -0.428 23.159 1.00 31.33 C ATOM 1141 C GLN A 69 -18.169 -1.739 22.435 1.00 54.04 C ATOM 1142 O GLN A 69 -18.903 -2.718 22.566 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.081 0.577 22.177 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.589 0.716 22.304 1.00 52.05 C ATOM 1145 CD GLN A 69 -20.999 1.616 23.451 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.201 2.817 23.272 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.121 1.041 24.640 1.00 70.13 N ATOM 0 H GLN A 69 -16.857 0.906 23.230 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.181 -0.628 23.960 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.621 1.552 22.335 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.838 0.271 21.159 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.993 1.114 21.373 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -21.030 -0.271 22.446 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.944 0.042 24.744 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -21.392 1.598 25.450 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.088 -1.740 21.660 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.684 -2.920 20.898 1.00 33.15 C ATOM 1158 C GLU A 70 -16.220 -4.050 21.812 1.00 4.01 C ATOM 1159 O GLU A 70 -16.647 -5.194 21.660 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.566 -2.557 19.921 1.00 60.04 C ATOM 1161 CG GLU A 70 -15.892 -1.367 19.035 1.00 12.23 C ATOM 1162 CD GLU A 70 -17.018 -1.655 18.064 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -16.979 -2.719 17.409 1.00 42.42 O ATOM 1164 OE2 GLU A 70 -17.940 -0.819 17.957 1.00 22.20 O ATOM 0 H GLU A 70 -16.474 -0.934 21.542 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.556 -3.269 20.345 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.659 -2.341 20.485 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.352 -3.420 19.291 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -16.165 -0.517 19.660 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.001 -1.079 18.477 1.00 12.23 H new ATOM 1171 N MET A 71 -15.333 -3.729 22.752 1.00 72.11 N ATOM 1172 CA MET A 71 -14.797 -4.726 23.680 1.00 42.11 C ATOM 1173 C MET A 71 -15.899 -5.643 24.218 1.00 0.22 C ATOM 1174 O MET A 71 -15.683 -6.841 24.397 1.00 15.12 O ATOM 1175 CB MET A 71 -14.054 -4.034 24.833 1.00 44.14 C ATOM 1176 CG MET A 71 -14.906 -3.788 26.071 1.00 2.34 C ATOM 1177 SD MET A 71 -14.185 -2.572 27.187 1.00 23.31 S ATOM 1178 CE MET A 71 -12.478 -3.111 27.231 1.00 23.35 C ATOM 0 H MET A 71 -14.969 -2.786 22.892 1.00 72.11 H new ATOM 0 HA MET A 71 -14.091 -5.350 23.132 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.195 -4.643 25.113 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.666 -3.079 24.478 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.896 -3.450 25.764 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.042 -4.728 26.605 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.011 -2.766 28.154 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.439 -4.199 27.189 1.00 23.35 H new ATOM 0 HE3 MET A 71 -11.943 -2.696 26.377 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.076 -5.077 24.467 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.196 -5.861 24.974 1.00 11.44 C ATOM 1190 C VAL A 72 -18.619 -6.915 23.960 1.00 55.10 C ATOM 1191 O VAL A 72 -18.560 -8.113 24.231 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.412 -4.971 25.308 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.578 -5.805 25.821 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.030 -3.917 26.328 1.00 54.21 C ATOM 0 H VAL A 72 -17.278 -4.087 24.327 1.00 73.42 H new ATOM 0 HA VAL A 72 -17.855 -6.345 25.889 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.729 -4.475 24.391 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.420 -5.152 26.048 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -20.873 -6.526 25.058 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.276 -6.335 26.724 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -19.898 -3.297 26.553 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.684 -4.402 27.241 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.233 -3.292 25.925 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.043 -6.459 22.785 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.476 -7.362 21.724 1.00 33.53 C ATOM 1206 C ASN A 73 -18.443 -8.459 21.467 1.00 45.13 C ATOM 1207 O ASN A 73 -18.762 -9.495 20.885 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.737 -6.581 20.434 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.928 -7.119 19.665 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.194 -8.320 19.671 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -21.651 -6.228 18.994 1.00 43.31 N ATOM 0 H ASN A 73 -19.096 -5.469 22.544 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.401 -7.837 22.051 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -19.907 -5.532 20.676 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.850 -6.622 19.801 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -22.463 -6.531 18.456 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -21.394 -5.241 19.017 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.205 -8.229 21.900 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.145 -9.208 21.709 1.00 43.41 C ATOM 1220 C PHE A 74 -15.974 -10.103 22.935 1.00 53.44 C ATOM 1221 O PHE A 74 -15.915 -11.325 22.814 1.00 24.31 O ATOM 1222 CB PHE A 74 -14.820 -8.515 21.391 1.00 54.04 C ATOM 1223 CG PHE A 74 -13.817 -9.433 20.755 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -13.848 -9.673 19.391 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -12.850 -10.065 21.522 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -12.931 -10.523 18.802 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -11.932 -10.915 20.939 1.00 32.35 C ATOM 1228 CZ PHE A 74 -11.971 -11.145 19.577 1.00 14.42 C ATOM 0 H PHE A 74 -16.916 -7.378 22.382 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.436 -9.835 20.866 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.007 -7.673 20.725 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.400 -8.107 22.310 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -14.597 -9.190 18.781 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -12.815 -9.890 22.587 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -12.965 -10.701 17.737 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -11.183 -11.400 21.547 1.00 32.35 H new ATOM 0 HZ PHE A 74 -11.253 -11.809 19.119 1.00 14.42 H new ATOM 1238 N LEU A 75 -15.867 -9.489 24.112 1.00 52.12 N ATOM 1239 CA LEU A 75 -15.671 -10.241 25.350 1.00 13.42 C ATOM 1240 C LEU A 75 -16.953 -10.357 26.173 1.00 31.53 C ATOM 1241 O LEU A 75 -17.293 -11.434 26.660 1.00 14.55 O ATOM 1242 CB LEU A 75 -14.580 -9.579 26.191 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.340 -9.129 25.409 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -12.894 -7.743 25.855 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.212 -10.137 25.578 1.00 74.13 C ATOM 0 H LEU A 75 -15.912 -8.477 24.234 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.371 -11.251 25.070 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.007 -8.712 26.695 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.267 -10.277 26.967 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.601 -9.076 24.352 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.013 -7.444 25.287 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.698 -7.028 25.680 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.651 -7.763 26.917 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.339 -9.804 25.017 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -11.954 -10.221 26.634 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.534 -11.109 25.204 1.00 74.13 H new ATOM 1257 N PHE A 76 -17.653 -9.239 26.342 1.00 73.34 N ATOM 1258 CA PHE A 76 -18.885 -9.215 27.129 1.00 61.03 C ATOM 1259 C PHE A 76 -20.122 -9.360 26.265 1.00 53.21 C ATOM 1260 O PHE A 76 -21.190 -8.856 26.605 1.00 1.11 O ATOM 1261 CB PHE A 76 -18.983 -7.920 27.896 1.00 51.14 C ATOM 1262 CG PHE A 76 -17.854 -7.719 28.846 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -16.655 -7.194 28.404 1.00 2.43 C ATOM 1264 CD2 PHE A 76 -17.986 -8.066 30.177 1.00 44.41 C ATOM 1265 CE1 PHE A 76 -15.606 -7.014 29.274 1.00 14.30 C ATOM 1266 CE2 PHE A 76 -16.940 -7.890 31.054 1.00 73.25 C ATOM 1267 CZ PHE A 76 -15.749 -7.364 30.601 1.00 10.35 C ATOM 0 H PHE A 76 -17.389 -8.337 25.945 1.00 73.34 H new ATOM 0 HA PHE A 76 -18.841 -10.064 27.811 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.010 -7.088 27.192 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -19.923 -7.901 28.448 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -16.541 -6.922 27.365 1.00 2.43 H new ATOM 0 HD2 PHE A 76 -18.918 -8.479 30.532 1.00 44.41 H new ATOM 0 HE1 PHE A 76 -14.673 -6.600 28.920 1.00 14.30 H new ATOM 0 HE2 PHE A 76 -17.052 -8.163 32.093 1.00 73.25 H new ATOM 0 HZ PHE A 76 -14.926 -7.226 31.286 1.00 10.35 H new ATOM 1277 N GLU A 77 -19.965 -10.032 25.148 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.062 -10.245 24.211 1.00 1.24 C ATOM 1279 C GLU A 77 -22.151 -11.121 24.830 1.00 64.35 C ATOM 1280 O GLU A 77 -22.493 -12.175 24.293 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.534 -10.897 22.931 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.501 -10.821 21.761 1.00 55.43 C ATOM 1283 CD GLU A 77 -21.068 -11.684 20.592 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -20.788 -12.882 20.812 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -21.006 -11.164 19.458 1.00 31.00 O ATOM 0 H GLU A 77 -19.080 -10.448 24.857 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.499 -9.276 23.971 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.598 -10.416 22.649 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.306 -11.943 23.135 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.491 -11.134 22.092 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.587 -9.786 21.432 1.00 55.43 H new ATOM 1292 N GLY A 78 -22.690 -10.679 25.958 1.00 23.53 N ATOM 1293 CA GLY A 78 -23.732 -11.433 26.628 1.00 62.55 C ATOM 1294 C GLY A 78 -23.900 -11.032 28.081 1.00 72.21 C ATOM 1295 O GLY A 78 -25.003 -11.090 28.623 1.00 64.15 O ATOM 0 H GLY A 78 -22.424 -9.810 26.422 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.676 -11.286 26.103 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.498 -12.496 26.573 1.00 62.55 H new