USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1015 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 60 MET CE :methyl -130:sc= -0.0247 (180deg=-0.863) USER MOD Set 1.2: A 111 MET CE :methyl 150:sc= -0.043 (180deg=-2.45) USER MOD Set 2.1: A 74 ASN : amide:sc= -0.457 X(o=-1.6,f=-2.1) USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -1.15 F(o=-2.7,f=-1.6) USER MOD Single : A 6 THR OG1 : rot 15:sc= 0.678 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc=-0.00473 X(o=-0.0047,f=-0.15) USER MOD Single : A 12 THR OG1 : rot 180:sc=-4.83e-06 USER MOD Single : A 15 GLN : amide:sc= 0.264 K(o=0.26,f=-3.2!) USER MOD Single : A 26 GLN : amide:sc= -0.115 K(o=-0.11,f=-3.2!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.49 F(o=-1.3,f=-0.49) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.145 (180deg=0.0912) USER MOD Single : A 57 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.31) USER MOD Single : A 59 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.21) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0792 X(o=-0.079,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 84 ASN : amide:sc= 0.00774 X(o=0.0077,f=-0.48) USER MOD Single : A 86 HIS : no HD1:sc= -0.0318 X(o=-0.032,f=-0.027) USER MOD Single : A 87 SER OG : rot 100:sc= 1.29 USER MOD Single : A 88 MET CE :methyl -152:sc= -0.0098 (180deg=-1.41) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 96 SER OG : rot 141:sc= 1.15 USER MOD Single : A 99 TYR OH : rot -9:sc= 1.23 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 170:sc= -0.396 (180deg=-0.543) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot -164:sc= 1.28 USER MOD Single : A 115 SER OG : rot 64:sc= 1.24 USER MOD Single : A 116 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0024) USER MOD Single : A 118 THR OG1 : rot 40:sc= 0.0872 USER MOD ----------------------------------------------------------------- ATOM 64 N THR A 6 -6.051 -11.861 -4.463 1.00 35.42 N ATOM 65 CA THR A 6 -5.517 -10.536 -4.740 1.00 23.20 C ATOM 66 C THR A 6 -6.621 -9.477 -4.739 1.00 71.14 C ATOM 67 O THR A 6 -7.757 -9.775 -5.113 1.00 71.32 O ATOM 68 CB THR A 6 -4.779 -10.561 -6.098 1.00 23.32 C ATOM 69 OG1 THR A 6 -4.358 -11.873 -6.445 1.00 13.50 O ATOM 70 CG2 THR A 6 -3.552 -9.651 -6.113 1.00 44.43 C ATOM 0 HA THR A 6 -4.815 -10.267 -3.951 1.00 23.20 H new ATOM 0 HB THR A 6 -5.504 -10.198 -6.826 1.00 23.32 H new ATOM 0 HG1 THR A 6 -4.820 -12.525 -5.878 1.00 13.50 H new ATOM 0 HG21 THR A 6 -3.070 -9.706 -7.089 1.00 44.43 H new ATOM 0 HG22 THR A 6 -3.859 -8.624 -5.917 1.00 44.43 H new ATOM 0 HG23 THR A 6 -2.850 -9.974 -5.344 1.00 44.43 H new ATOM 78 N PHE A 7 -6.291 -8.221 -4.432 1.00 11.11 N ATOM 79 CA PHE A 7 -7.248 -7.117 -4.423 1.00 51.15 C ATOM 80 C PHE A 7 -7.914 -7.040 -5.801 1.00 62.44 C ATOM 81 O PHE A 7 -9.134 -7.137 -5.899 1.00 73.31 O ATOM 82 CB PHE A 7 -6.565 -5.797 -4.038 1.00 41.53 C ATOM 83 CG PHE A 7 -5.421 -5.381 -4.944 1.00 53.41 C ATOM 84 CD1 PHE A 7 -4.153 -5.961 -4.777 1.00 2.30 C ATOM 85 CD2 PHE A 7 -5.629 -4.455 -5.984 1.00 43.21 C ATOM 86 CE1 PHE A 7 -3.105 -5.627 -5.646 1.00 75.11 C ATOM 87 CE2 PHE A 7 -4.579 -4.119 -6.855 1.00 41.24 C ATOM 88 CZ PHE A 7 -3.318 -4.714 -6.690 1.00 21.11 C ATOM 0 H PHE A 7 -5.343 -7.941 -4.181 1.00 11.11 H new ATOM 0 HA PHE A 7 -8.015 -7.295 -3.669 1.00 51.15 H new ATOM 0 HB2 PHE A 7 -7.314 -5.005 -4.036 1.00 41.53 H new ATOM 0 HB3 PHE A 7 -6.189 -5.883 -3.019 1.00 41.53 H new ATOM 0 HD1 PHE A 7 -3.985 -6.666 -3.977 1.00 2.30 H new ATOM 0 HD2 PHE A 7 -6.600 -4.001 -6.113 1.00 43.21 H new ATOM 0 HE1 PHE A 7 -2.131 -6.074 -5.512 1.00 75.11 H new ATOM 0 HE2 PHE A 7 -4.741 -3.405 -7.649 1.00 41.24 H new ATOM 0 HZ PHE A 7 -2.512 -4.469 -7.366 1.00 21.11 H new ATOM 98 N LYS A 8 -7.123 -7.033 -6.884 1.00 24.14 N ATOM 99 CA LYS A 8 -7.641 -6.978 -8.251 1.00 14.34 C ATOM 100 C LYS A 8 -8.506 -8.185 -8.617 1.00 53.35 C ATOM 101 O LYS A 8 -9.224 -8.138 -9.614 1.00 3.32 O ATOM 102 CB LYS A 8 -6.523 -6.666 -9.262 1.00 41.34 C ATOM 103 CG LYS A 8 -5.442 -7.749 -9.395 1.00 52.43 C ATOM 104 CD LYS A 8 -4.261 -7.287 -10.270 1.00 21.04 C ATOM 105 CE LYS A 8 -4.568 -6.992 -11.752 1.00 14.40 C ATOM 106 NZ LYS A 8 -5.224 -8.119 -12.454 1.00 41.23 N ATOM 0 H LYS A 8 -6.105 -7.065 -6.832 1.00 24.14 H new ATOM 0 HA LYS A 8 -8.334 -6.138 -8.303 1.00 14.34 H new ATOM 0 HB2 LYS A 8 -6.975 -6.504 -10.241 1.00 41.34 H new ATOM 0 HB3 LYS A 8 -6.044 -5.730 -8.973 1.00 41.34 H new ATOM 0 HG2 LYS A 8 -5.075 -8.017 -8.404 1.00 52.43 H new ATOM 0 HG3 LYS A 8 -5.882 -8.648 -9.826 1.00 52.43 H new ATOM 0 HD2 LYS A 8 -3.840 -6.386 -9.824 1.00 21.04 H new ATOM 0 HD3 LYS A 8 -3.488 -8.054 -10.229 1.00 21.04 H new ATOM 0 HE2 LYS A 8 -5.209 -6.113 -11.814 1.00 14.40 H new ATOM 0 HE3 LYS A 8 -3.639 -6.746 -12.266 1.00 14.40 H new ATOM 0 HZ1 LYS A 8 -5.402 -7.855 -13.444 1.00 41.23 H new ATOM 0 HZ2 LYS A 8 -4.605 -8.954 -12.424 1.00 41.23 H new ATOM 0 HZ3 LYS A 8 -6.127 -8.341 -11.987 1.00 41.23 H new ATOM 120 N GLN A 9 -8.368 -9.306 -7.907 1.00 60.44 N ATOM 121 CA GLN A 9 -9.160 -10.506 -8.138 1.00 31.20 C ATOM 122 C GLN A 9 -10.511 -10.354 -7.435 1.00 54.45 C ATOM 123 O GLN A 9 -11.545 -10.674 -8.018 1.00 52.14 O ATOM 124 CB GLN A 9 -8.445 -11.751 -7.601 1.00 3.50 C ATOM 125 CG GLN A 9 -7.195 -12.146 -8.382 1.00 40.14 C ATOM 126 CD GLN A 9 -7.551 -12.899 -9.653 1.00 61.43 C ATOM 127 OE1 GLN A 9 -8.248 -13.912 -9.598 1.00 2.54 O ATOM 128 NE2 GLN A 9 -7.105 -12.426 -10.800 1.00 0.10 N ATOM 0 H GLN A 9 -7.694 -9.403 -7.147 1.00 60.44 H new ATOM 0 HA GLN A 9 -9.302 -10.629 -9.212 1.00 31.20 H new ATOM 0 HB2 GLN A 9 -8.169 -11.576 -6.561 1.00 3.50 H new ATOM 0 HB3 GLN A 9 -9.143 -12.588 -7.609 1.00 3.50 H new ATOM 0 HG2 GLN A 9 -6.624 -11.252 -8.634 1.00 40.14 H new ATOM 0 HG3 GLN A 9 -6.554 -12.767 -7.756 1.00 40.14 H new ATOM 0 HE21 GLN A 9 -6.529 -11.584 -10.815 1.00 0.10 H new ATOM 0 HE22 GLN A 9 -7.336 -12.902 -11.672 1.00 0.10 H new ATOM 137 N ARG A 10 -10.518 -9.905 -6.172 1.00 23.31 N ATOM 138 CA ARG A 10 -11.748 -9.730 -5.393 1.00 23.24 C ATOM 139 C ARG A 10 -12.527 -8.474 -5.784 1.00 0.13 C ATOM 140 O ARG A 10 -13.725 -8.405 -5.531 1.00 24.22 O ATOM 141 CB ARG A 10 -11.450 -9.802 -3.885 1.00 55.41 C ATOM 142 CG ARG A 10 -10.626 -8.639 -3.327 1.00 24.34 C ATOM 143 CD ARG A 10 -10.403 -8.772 -1.818 1.00 63.12 C ATOM 144 NE ARG A 10 -9.429 -9.815 -1.455 1.00 1.52 N ATOM 145 CZ ARG A 10 -9.390 -10.482 -0.294 1.00 32.04 C ATOM 146 NH1 ARG A 10 -10.321 -10.333 0.643 1.00 54.45 N ATOM 147 NH2 ARG A 10 -8.386 -11.320 -0.090 1.00 2.44 N ATOM 0 H ARG A 10 -9.670 -9.653 -5.663 1.00 23.31 H new ATOM 0 HA ARG A 10 -12.410 -10.560 -5.637 1.00 23.24 H new ATOM 0 HB2 ARG A 10 -12.396 -9.847 -3.346 1.00 55.41 H new ATOM 0 HB3 ARG A 10 -10.921 -10.733 -3.680 1.00 55.41 H new ATOM 0 HG2 ARG A 10 -9.662 -8.600 -3.835 1.00 24.34 H new ATOM 0 HG3 ARG A 10 -11.136 -7.699 -3.538 1.00 24.34 H new ATOM 0 HD2 ARG A 10 -10.061 -7.815 -1.424 1.00 63.12 H new ATOM 0 HD3 ARG A 10 -11.356 -8.993 -1.337 1.00 63.12 H new ATOM 0 HE ARG A 10 -8.721 -10.051 -2.150 1.00 1.52 H new ATOM 0 HH11 ARG A 10 -11.100 -9.693 0.490 1.00 54.45 H new ATOM 0 HH12 ARG A 10 -10.256 -10.859 1.514 1.00 54.45 H new ATOM 0 HH21 ARG A 10 -7.671 -11.443 -0.807 1.00 2.44 H new ATOM 0 HH22 ARG A 10 -8.328 -11.843 0.784 1.00 2.44 H new ATOM 161 N ARG A 11 -11.888 -7.489 -6.415 1.00 32.00 N ATOM 162 CA ARG A 11 -12.486 -6.243 -6.879 1.00 43.13 C ATOM 163 C ARG A 11 -11.941 -6.072 -8.295 1.00 52.33 C ATOM 164 O ARG A 11 -10.748 -5.806 -8.472 1.00 73.31 O ATOM 165 CB ARG A 11 -12.100 -5.053 -5.966 1.00 53.43 C ATOM 166 CG ARG A 11 -12.713 -5.046 -4.548 1.00 71.44 C ATOM 167 CD ARG A 11 -14.132 -4.459 -4.474 1.00 24.31 C ATOM 168 NE ARG A 11 -14.627 -4.411 -3.084 1.00 13.51 N ATOM 169 CZ ARG A 11 -15.510 -3.527 -2.591 1.00 31.20 C ATOM 170 NH1 ARG A 11 -16.151 -2.665 -3.369 1.00 15.11 N ATOM 171 NH2 ARG A 11 -15.762 -3.503 -1.291 1.00 21.22 N ATOM 0 H ARG A 11 -10.891 -7.544 -6.625 1.00 32.00 H new ATOM 0 HA ARG A 11 -13.575 -6.271 -6.858 1.00 43.13 H new ATOM 0 HB2 ARG A 11 -11.014 -5.036 -5.869 1.00 53.43 H new ATOM 0 HB3 ARG A 11 -12.390 -4.130 -6.468 1.00 53.43 H new ATOM 0 HG2 ARG A 11 -12.735 -6.068 -4.170 1.00 71.44 H new ATOM 0 HG3 ARG A 11 -12.062 -4.475 -3.886 1.00 71.44 H new ATOM 0 HD2 ARG A 11 -14.133 -3.454 -4.897 1.00 24.31 H new ATOM 0 HD3 ARG A 11 -14.808 -5.061 -5.081 1.00 24.31 H new ATOM 0 HE ARG A 11 -14.265 -5.113 -2.439 1.00 13.51 H new ATOM 0 HH11 ARG A 11 -15.980 -2.660 -4.374 1.00 15.11 H new ATOM 0 HH12 ARG A 11 -16.815 -2.007 -2.962 1.00 15.11 H new ATOM 0 HH21 ARG A 11 -15.286 -4.155 -0.667 1.00 21.22 H new ATOM 0 HH22 ARG A 11 -16.432 -2.833 -0.914 1.00 21.22 H new ATOM 185 N THR A 12 -12.772 -6.279 -9.313 1.00 52.11 N ATOM 186 CA THR A 12 -12.384 -6.134 -10.711 1.00 62.23 C ATOM 187 C THR A 12 -12.038 -4.670 -11.033 1.00 15.13 C ATOM 188 O THR A 12 -12.177 -3.805 -10.174 1.00 64.42 O ATOM 189 CB THR A 12 -13.439 -6.743 -11.644 1.00 74.34 C ATOM 190 OG1 THR A 12 -12.788 -6.935 -12.881 1.00 61.35 O ATOM 191 CG2 THR A 12 -14.697 -5.886 -11.825 1.00 54.35 C ATOM 0 H THR A 12 -13.746 -6.556 -9.187 1.00 52.11 H new ATOM 0 HA THR A 12 -11.472 -6.704 -10.888 1.00 62.23 H new ATOM 0 HB THR A 12 -13.810 -7.670 -11.207 1.00 74.34 H new ATOM 0 HG1 THR A 12 -13.416 -7.327 -13.524 1.00 61.35 H new ATOM 0 HG21 THR A 12 -15.388 -6.392 -12.499 1.00 54.35 H new ATOM 0 HG22 THR A 12 -15.177 -5.736 -10.858 1.00 54.35 H new ATOM 0 HG23 THR A 12 -14.421 -4.919 -12.247 1.00 54.35 H new ATOM 199 N PHE A 13 -11.500 -4.390 -12.227 1.00 11.34 N ATOM 200 CA PHE A 13 -11.130 -3.043 -12.660 1.00 42.51 C ATOM 201 C PHE A 13 -12.220 -2.028 -12.342 1.00 74.13 C ATOM 202 O PHE A 13 -11.926 -1.012 -11.729 1.00 21.12 O ATOM 203 CB PHE A 13 -10.799 -3.002 -14.157 1.00 44.35 C ATOM 204 CG PHE A 13 -10.375 -1.611 -14.601 1.00 31.11 C ATOM 205 CD1 PHE A 13 -11.341 -0.619 -14.877 1.00 61.03 C ATOM 206 CD2 PHE A 13 -9.009 -1.278 -14.644 1.00 33.30 C ATOM 207 CE1 PHE A 13 -10.946 0.701 -15.147 1.00 42.24 C ATOM 208 CE2 PHE A 13 -8.617 0.042 -14.915 1.00 15.20 C ATOM 209 CZ PHE A 13 -9.584 1.037 -15.135 1.00 50.45 C ATOM 0 H PHE A 13 -11.308 -5.106 -12.927 1.00 11.34 H new ATOM 0 HA PHE A 13 -10.235 -2.772 -12.100 1.00 42.51 H new ATOM 0 HB2 PHE A 13 -10.001 -3.712 -14.373 1.00 44.35 H new ATOM 0 HB3 PHE A 13 -11.670 -3.318 -14.731 1.00 44.35 H new ATOM 0 HD1 PHE A 13 -12.390 -0.877 -14.880 1.00 61.03 H new ATOM 0 HD2 PHE A 13 -8.262 -2.038 -14.468 1.00 33.30 H new ATOM 0 HE1 PHE A 13 -11.688 1.455 -15.363 1.00 42.24 H new ATOM 0 HE2 PHE A 13 -7.568 0.294 -14.955 1.00 15.20 H new ATOM 0 HZ PHE A 13 -9.279 2.061 -15.295 1.00 50.45 H new ATOM 219 N GLU A 14 -13.464 -2.314 -12.731 1.00 13.44 N ATOM 220 CA GLU A 14 -14.606 -1.432 -12.501 1.00 52.11 C ATOM 221 C GLU A 14 -14.715 -1.080 -11.022 1.00 73.11 C ATOM 222 O GLU A 14 -14.736 0.088 -10.647 1.00 24.20 O ATOM 223 CB GLU A 14 -15.880 -2.119 -12.991 1.00 33.34 C ATOM 224 CG GLU A 14 -15.797 -2.403 -14.498 1.00 1.44 C ATOM 225 CD GLU A 14 -17.193 -2.541 -15.086 1.00 0.40 C ATOM 226 OE1 GLU A 14 -17.761 -3.654 -15.042 1.00 55.44 O ATOM 227 OE2 GLU A 14 -17.752 -1.510 -15.528 1.00 43.43 O ATOM 0 H GLU A 14 -13.708 -3.175 -13.220 1.00 13.44 H new ATOM 0 HA GLU A 14 -14.467 -0.504 -13.056 1.00 52.11 H new ATOM 0 HB2 GLU A 14 -16.028 -3.052 -12.447 1.00 33.34 H new ATOM 0 HB3 GLU A 14 -16.743 -1.488 -12.782 1.00 33.34 H new ATOM 0 HG2 GLU A 14 -15.262 -1.596 -14.998 1.00 1.44 H new ATOM 0 HG3 GLU A 14 -15.229 -3.317 -14.672 1.00 1.44 H new ATOM 234 N GLN A 15 -14.746 -2.110 -10.180 1.00 21.31 N ATOM 235 CA GLN A 15 -14.829 -1.955 -8.742 1.00 34.22 C ATOM 236 C GLN A 15 -13.615 -1.180 -8.216 1.00 61.32 C ATOM 237 O GLN A 15 -13.740 -0.454 -7.241 1.00 55.12 O ATOM 238 CB GLN A 15 -14.868 -3.351 -8.095 1.00 54.43 C ATOM 239 CG GLN A 15 -16.171 -4.153 -8.247 1.00 53.31 C ATOM 240 CD GLN A 15 -17.227 -3.900 -7.167 1.00 24.30 C ATOM 241 OE1 GLN A 15 -16.932 -3.584 -6.012 1.00 51.54 O ATOM 242 NE2 GLN A 15 -18.483 -4.126 -7.507 1.00 11.51 N ATOM 0 H GLN A 15 -14.714 -3.082 -10.486 1.00 21.31 H new ATOM 0 HA GLN A 15 -15.732 -1.398 -8.491 1.00 34.22 H new ATOM 0 HB2 GLN A 15 -14.055 -3.942 -8.516 1.00 54.43 H new ATOM 0 HB3 GLN A 15 -14.662 -3.237 -7.031 1.00 54.43 H new ATOM 0 HG2 GLN A 15 -16.608 -3.924 -9.219 1.00 53.31 H new ATOM 0 HG3 GLN A 15 -15.926 -5.215 -8.250 1.00 53.31 H new ATOM 0 HE21 GLN A 15 -18.713 -4.387 -8.466 1.00 11.51 H new ATOM 0 HE22 GLN A 15 -19.223 -4.040 -6.811 1.00 11.51 H new ATOM 251 N ARG A 16 -12.425 -1.351 -8.804 1.00 1.10 N ATOM 252 CA ARG A 16 -11.210 -0.684 -8.364 1.00 73.05 C ATOM 253 C ARG A 16 -11.221 0.777 -8.718 1.00 40.34 C ATOM 254 O ARG A 16 -10.966 1.571 -7.826 1.00 20.22 O ATOM 255 CB ARG A 16 -9.958 -1.385 -8.890 1.00 23.22 C ATOM 256 CG ARG A 16 -9.697 -2.619 -8.023 1.00 20.32 C ATOM 257 CD ARG A 16 -8.491 -3.412 -8.504 1.00 31.00 C ATOM 258 NE ARG A 16 -8.767 -4.104 -9.773 1.00 11.54 N ATOM 259 CZ ARG A 16 -8.122 -3.908 -10.928 1.00 43.21 C ATOM 260 NH1 ARG A 16 -7.260 -2.901 -11.062 1.00 54.35 N ATOM 261 NH2 ARG A 16 -8.332 -4.734 -11.950 1.00 13.21 N ATOM 0 H ARG A 16 -12.285 -1.965 -9.607 1.00 1.10 H new ATOM 0 HA ARG A 16 -11.181 -0.751 -7.276 1.00 73.05 H new ATOM 0 HB2 ARG A 16 -10.095 -1.675 -9.932 1.00 23.22 H new ATOM 0 HB3 ARG A 16 -9.103 -0.710 -8.857 1.00 23.22 H new ATOM 0 HG2 ARG A 16 -9.538 -2.309 -6.990 1.00 20.32 H new ATOM 0 HG3 ARG A 16 -10.578 -3.260 -8.031 1.00 20.32 H new ATOM 0 HD2 ARG A 16 -7.642 -2.741 -8.632 1.00 31.00 H new ATOM 0 HD3 ARG A 16 -8.209 -4.142 -7.745 1.00 31.00 H new ATOM 0 HE ARG A 16 -9.517 -4.795 -9.772 1.00 11.54 H new ATOM 0 HH11 ARG A 16 -7.087 -2.270 -10.279 1.00 54.35 H new ATOM 0 HH12 ARG A 16 -6.773 -2.761 -11.947 1.00 54.35 H new ATOM 0 HH21 ARG A 16 -8.983 -5.513 -11.851 1.00 13.21 H new ATOM 0 HH22 ARG A 16 -7.842 -4.588 -12.833 1.00 13.21 H new ATOM 275 N VAL A 17 -11.486 1.146 -9.968 1.00 40.54 N ATOM 276 CA VAL A 17 -11.514 2.551 -10.342 1.00 43.35 C ATOM 277 C VAL A 17 -12.575 3.257 -9.481 1.00 24.22 C ATOM 278 O VAL A 17 -12.347 4.366 -8.991 1.00 40.32 O ATOM 279 CB VAL A 17 -11.656 2.679 -11.873 1.00 13.50 C ATOM 280 CG1 VAL A 17 -13.022 2.285 -12.449 1.00 64.22 C ATOM 281 CG2 VAL A 17 -11.311 4.098 -12.300 1.00 43.22 C ATOM 0 H VAL A 17 -11.682 0.497 -10.730 1.00 40.54 H new ATOM 0 HA VAL A 17 -10.580 3.070 -10.127 1.00 43.35 H new ATOM 0 HB VAL A 17 -10.955 1.953 -12.285 1.00 13.50 H new ATOM 0 HG11 VAL A 17 -13.011 2.413 -13.531 1.00 64.22 H new ATOM 0 HG12 VAL A 17 -13.231 1.243 -12.209 1.00 64.22 H new ATOM 0 HG13 VAL A 17 -13.796 2.919 -12.016 1.00 64.22 H new ATOM 0 HG21 VAL A 17 -11.412 4.187 -13.382 1.00 43.22 H new ATOM 0 HG22 VAL A 17 -11.989 4.799 -11.813 1.00 43.22 H new ATOM 0 HG23 VAL A 17 -10.285 4.326 -12.011 1.00 43.22 H new ATOM 291 N GLU A 18 -13.695 2.572 -9.218 1.00 22.02 N ATOM 292 CA GLU A 18 -14.781 3.071 -8.396 1.00 32.41 C ATOM 293 C GLU A 18 -14.306 3.183 -6.942 1.00 35.12 C ATOM 294 O GLU A 18 -14.629 4.158 -6.270 1.00 54.11 O ATOM 295 CB GLU A 18 -15.985 2.147 -8.561 1.00 41.42 C ATOM 296 CG GLU A 18 -17.283 2.757 -8.025 1.00 44.41 C ATOM 297 CD GLU A 18 -18.472 1.941 -8.526 1.00 42.44 C ATOM 298 OE1 GLU A 18 -18.638 1.797 -9.762 1.00 32.01 O ATOM 299 OE2 GLU A 18 -19.227 1.368 -7.709 1.00 15.30 O ATOM 0 H GLU A 18 -13.866 1.635 -9.584 1.00 22.02 H new ATOM 0 HA GLU A 18 -15.088 4.069 -8.707 1.00 32.41 H new ATOM 0 HB2 GLU A 18 -16.111 1.908 -9.617 1.00 41.42 H new ATOM 0 HB3 GLU A 18 -15.790 1.208 -8.043 1.00 41.42 H new ATOM 0 HG2 GLU A 18 -17.269 2.769 -6.935 1.00 44.41 H new ATOM 0 HG3 GLU A 18 -17.374 3.792 -8.354 1.00 44.41 H new ATOM 306 N ASP A 19 -13.496 2.235 -6.463 1.00 1.41 N ATOM 307 CA ASP A 19 -12.946 2.236 -5.110 1.00 51.44 C ATOM 308 C ASP A 19 -11.993 3.425 -4.984 1.00 4.30 C ATOM 309 O ASP A 19 -11.908 4.024 -3.915 1.00 1.22 O ATOM 310 CB ASP A 19 -12.157 0.957 -4.756 1.00 12.52 C ATOM 311 CG ASP A 19 -12.961 -0.307 -4.434 1.00 42.45 C ATOM 312 OD1 ASP A 19 -14.022 -0.212 -3.779 1.00 53.32 O ATOM 313 OD2 ASP A 19 -12.413 -1.408 -4.690 1.00 75.22 O ATOM 0 H ASP A 19 -13.200 1.431 -7.017 1.00 1.41 H new ATOM 0 HA ASP A 19 -13.791 2.293 -4.424 1.00 51.44 H new ATOM 0 HB2 ASP A 19 -11.494 0.730 -5.591 1.00 12.52 H new ATOM 0 HB3 ASP A 19 -11.524 1.180 -3.897 1.00 12.52 H new ATOM 318 N VAL A 20 -11.212 3.756 -6.024 1.00 71.23 N ATOM 319 CA VAL A 20 -10.291 4.887 -5.974 1.00 61.25 C ATOM 320 C VAL A 20 -11.093 6.167 -5.822 1.00 14.31 C ATOM 321 O VAL A 20 -10.940 6.851 -4.811 1.00 43.35 O ATOM 322 CB VAL A 20 -9.286 4.957 -7.145 1.00 34.32 C ATOM 323 CG1 VAL A 20 -8.273 6.069 -6.834 1.00 15.24 C ATOM 324 CG2 VAL A 20 -8.425 3.700 -7.268 1.00 35.24 C ATOM 0 H VAL A 20 -11.205 3.250 -6.910 1.00 71.23 H new ATOM 0 HA VAL A 20 -9.651 4.744 -5.103 1.00 61.25 H new ATOM 0 HB VAL A 20 -9.875 5.105 -8.050 1.00 34.32 H new ATOM 0 HG11 VAL A 20 -7.550 6.140 -7.647 1.00 15.24 H new ATOM 0 HG12 VAL A 20 -8.797 7.019 -6.730 1.00 15.24 H new ATOM 0 HG13 VAL A 20 -7.753 5.838 -5.905 1.00 15.24 H new ATOM 0 HG21 VAL A 20 -7.739 3.809 -8.108 1.00 35.24 H new ATOM 0 HG22 VAL A 20 -7.854 3.559 -6.350 1.00 35.24 H new ATOM 0 HG23 VAL A 20 -9.066 2.834 -7.434 1.00 35.24 H new ATOM 334 N ARG A 21 -11.958 6.496 -6.782 1.00 54.55 N ATOM 335 CA ARG A 21 -12.749 7.726 -6.716 1.00 72.43 C ATOM 336 C ARG A 21 -13.596 7.795 -5.441 1.00 2.52 C ATOM 337 O ARG A 21 -13.691 8.868 -4.840 1.00 21.11 O ATOM 338 CB ARG A 21 -13.565 7.889 -8.017 1.00 50.51 C ATOM 339 CG ARG A 21 -14.601 6.786 -8.290 1.00 50.12 C ATOM 340 CD ARG A 21 -16.016 7.046 -7.753 1.00 5.10 C ATOM 341 NE ARG A 21 -16.808 7.837 -8.706 1.00 65.15 N ATOM 342 CZ ARG A 21 -17.802 7.428 -9.505 1.00 25.42 C ATOM 343 NH1 ARG A 21 -18.256 6.182 -9.447 1.00 31.00 N ATOM 344 NH2 ARG A 21 -18.336 8.287 -10.358 1.00 52.34 N ATOM 0 H ARG A 21 -12.129 5.930 -7.613 1.00 54.55 H new ATOM 0 HA ARG A 21 -12.078 8.582 -6.647 1.00 72.43 H new ATOM 0 HB2 ARG A 21 -14.081 8.848 -7.984 1.00 50.51 H new ATOM 0 HB3 ARG A 21 -12.872 7.929 -8.858 1.00 50.51 H new ATOM 0 HG2 ARG A 21 -14.665 6.633 -9.367 1.00 50.12 H new ATOM 0 HG3 ARG A 21 -14.235 5.855 -7.857 1.00 50.12 H new ATOM 0 HD2 ARG A 21 -16.515 6.096 -7.561 1.00 5.10 H new ATOM 0 HD3 ARG A 21 -15.956 7.573 -6.801 1.00 5.10 H new ATOM 0 HE ARG A 21 -16.569 8.827 -8.767 1.00 65.15 H new ATOM 0 HH11 ARG A 21 -17.847 5.520 -8.787 1.00 31.00 H new ATOM 0 HH12 ARG A 21 -19.014 5.886 -10.062 1.00 31.00 H new ATOM 0 HH21 ARG A 21 -17.990 9.246 -10.400 1.00 52.34 H new ATOM 0 HH22 ARG A 21 -19.094 7.991 -10.973 1.00 52.34 H new ATOM 358 N LEU A 22 -14.189 6.683 -4.994 1.00 31.14 N ATOM 359 CA LEU A 22 -15.006 6.660 -3.783 1.00 23.03 C ATOM 360 C LEU A 22 -14.128 7.017 -2.584 1.00 53.11 C ATOM 361 O LEU A 22 -14.465 7.924 -1.827 1.00 24.13 O ATOM 362 CB LEU A 22 -15.687 5.295 -3.613 1.00 51.25 C ATOM 363 CG LEU A 22 -16.576 5.200 -2.361 1.00 35.13 C ATOM 364 CD1 LEU A 22 -17.757 6.177 -2.384 1.00 20.42 C ATOM 365 CD2 LEU A 22 -17.122 3.778 -2.254 1.00 72.21 C ATOM 0 H LEU A 22 -14.115 5.779 -5.461 1.00 31.14 H new ATOM 0 HA LEU A 22 -15.803 7.399 -3.860 1.00 23.03 H new ATOM 0 HB2 LEU A 22 -16.293 5.089 -4.495 1.00 51.25 H new ATOM 0 HB3 LEU A 22 -14.922 4.520 -3.564 1.00 51.25 H new ATOM 0 HG LEU A 22 -15.955 5.462 -1.504 1.00 35.13 H new ATOM 0 HD11 LEU A 22 -18.344 6.059 -1.473 1.00 20.42 H new ATOM 0 HD12 LEU A 22 -17.383 7.199 -2.445 1.00 20.42 H new ATOM 0 HD13 LEU A 22 -18.385 5.968 -3.250 1.00 20.42 H new ATOM 0 HD21 LEU A 22 -17.754 3.697 -1.370 1.00 72.21 H new ATOM 0 HD22 LEU A 22 -17.709 3.546 -3.143 1.00 72.21 H new ATOM 0 HD23 LEU A 22 -16.293 3.075 -2.173 1.00 72.21 H new ATOM 377 N ILE A 23 -12.969 6.370 -2.439 1.00 31.32 N ATOM 378 CA ILE A 23 -12.043 6.647 -1.343 1.00 43.34 C ATOM 379 C ILE A 23 -11.574 8.100 -1.440 1.00 72.12 C ATOM 380 O ILE A 23 -11.445 8.773 -0.423 1.00 22.43 O ATOM 381 CB ILE A 23 -10.885 5.638 -1.376 1.00 21.43 C ATOM 382 CG1 ILE A 23 -11.361 4.279 -0.806 1.00 0.33 C ATOM 383 CG2 ILE A 23 -9.594 6.115 -0.693 1.00 15.41 C ATOM 384 CD1 ILE A 23 -11.427 4.186 0.725 1.00 33.22 C ATOM 0 H ILE A 23 -12.649 5.642 -3.077 1.00 31.32 H new ATOM 0 HA ILE A 23 -12.536 6.528 -0.378 1.00 43.34 H new ATOM 0 HB ILE A 23 -10.607 5.525 -2.424 1.00 21.43 H new ATOM 0 HG12 ILE A 23 -12.351 4.064 -1.208 1.00 0.33 H new ATOM 0 HG13 ILE A 23 -10.693 3.499 -1.171 1.00 0.33 H new ATOM 0 HG21 ILE A 23 -8.834 5.337 -0.767 1.00 15.41 H new ATOM 0 HG22 ILE A 23 -9.236 7.020 -1.184 1.00 15.41 H new ATOM 0 HG23 ILE A 23 -9.795 6.327 0.357 1.00 15.41 H new ATOM 0 HD11 ILE A 23 -11.772 3.193 1.015 1.00 33.22 H new ATOM 0 HD12 ILE A 23 -10.436 4.362 1.143 1.00 33.22 H new ATOM 0 HD13 ILE A 23 -12.120 4.936 1.106 1.00 33.22 H new ATOM 396 N ARG A 24 -11.315 8.614 -2.646 1.00 23.11 N ATOM 397 CA ARG A 24 -10.879 9.997 -2.834 1.00 33.11 C ATOM 398 C ARG A 24 -11.990 10.957 -2.417 1.00 24.12 C ATOM 399 O ARG A 24 -11.690 12.086 -2.045 1.00 31.15 O ATOM 400 CB ARG A 24 -10.500 10.259 -4.299 1.00 10.45 C ATOM 401 CG ARG A 24 -9.361 9.380 -4.842 1.00 53.53 C ATOM 402 CD ARG A 24 -8.059 10.142 -5.059 1.00 24.42 C ATOM 403 NE ARG A 24 -7.436 10.500 -3.770 1.00 4.44 N ATOM 404 CZ ARG A 24 -7.021 11.713 -3.380 1.00 42.11 C ATOM 405 NH1 ARG A 24 -6.919 12.717 -4.252 1.00 63.23 N ATOM 406 NH2 ARG A 24 -6.738 11.908 -2.095 1.00 62.21 N ATOM 0 H ARG A 24 -11.402 8.085 -3.514 1.00 23.11 H new ATOM 0 HA ARG A 24 -10.000 10.162 -2.211 1.00 33.11 H new ATOM 0 HB2 ARG A 24 -11.383 10.108 -4.920 1.00 10.45 H new ATOM 0 HB3 ARG A 24 -10.213 11.305 -4.403 1.00 10.45 H new ATOM 0 HG2 ARG A 24 -9.182 8.560 -4.147 1.00 53.53 H new ATOM 0 HG3 ARG A 24 -9.674 8.935 -5.786 1.00 53.53 H new ATOM 0 HD2 ARG A 24 -7.370 9.533 -5.644 1.00 24.42 H new ATOM 0 HD3 ARG A 24 -8.254 11.046 -5.636 1.00 24.42 H new ATOM 0 HE ARG A 24 -7.307 9.740 -3.102 1.00 4.44 H new ATOM 0 HH11 ARG A 24 -7.159 12.568 -5.232 1.00 63.23 H new ATOM 0 HH12 ARG A 24 -6.601 13.634 -3.939 1.00 63.23 H new ATOM 0 HH21 ARG A 24 -6.839 11.142 -1.429 1.00 62.21 H new ATOM 0 HH22 ARG A 24 -6.420 12.823 -1.776 1.00 62.21 H new ATOM 420 N GLU A 25 -13.252 10.542 -2.493 1.00 10.13 N ATOM 421 CA GLU A 25 -14.395 11.351 -2.111 1.00 31.12 C ATOM 422 C GLU A 25 -14.585 11.353 -0.594 1.00 34.03 C ATOM 423 O GLU A 25 -14.699 12.418 0.015 1.00 44.22 O ATOM 424 CB GLU A 25 -15.644 10.832 -2.832 1.00 33.45 C ATOM 425 CG GLU A 25 -16.871 11.690 -2.530 1.00 10.23 C ATOM 426 CD GLU A 25 -17.985 11.406 -3.530 1.00 64.22 C ATOM 427 OE1 GLU A 25 -18.002 12.038 -4.613 1.00 50.30 O ATOM 428 OE2 GLU A 25 -18.832 10.530 -3.253 1.00 21.34 O ATOM 0 H GLU A 25 -13.509 9.614 -2.829 1.00 10.13 H new ATOM 0 HA GLU A 25 -14.220 12.384 -2.410 1.00 31.12 H new ATOM 0 HB2 GLU A 25 -15.464 10.820 -3.907 1.00 33.45 H new ATOM 0 HB3 GLU A 25 -15.837 9.803 -2.530 1.00 33.45 H new ATOM 0 HG2 GLU A 25 -17.223 11.487 -1.518 1.00 10.23 H new ATOM 0 HG3 GLU A 25 -16.601 12.745 -2.568 1.00 10.23 H new ATOM 435 N GLN A 26 -14.621 10.176 0.037 1.00 51.41 N ATOM 436 CA GLN A 26 -14.818 10.045 1.481 1.00 12.15 C ATOM 437 C GLN A 26 -13.572 10.403 2.303 1.00 62.23 C ATOM 438 O GLN A 26 -13.697 10.937 3.409 1.00 14.54 O ATOM 439 CB GLN A 26 -15.337 8.635 1.803 1.00 22.24 C ATOM 440 CG GLN A 26 -14.335 7.512 1.543 1.00 21.10 C ATOM 441 CD GLN A 26 -14.965 6.125 1.423 1.00 52.15 C ATOM 442 OE1 GLN A 26 -14.592 5.356 0.546 1.00 43.43 O ATOM 443 NE2 GLN A 26 -15.910 5.779 2.280 1.00 74.44 N ATOM 0 H GLN A 26 -14.514 9.283 -0.444 1.00 51.41 H new ATOM 0 HA GLN A 26 -15.568 10.778 1.779 1.00 12.15 H new ATOM 0 HB2 GLN A 26 -15.635 8.603 2.851 1.00 22.24 H new ATOM 0 HB3 GLN A 26 -16.233 8.448 1.211 1.00 22.24 H new ATOM 0 HG2 GLN A 26 -13.790 7.732 0.625 1.00 21.10 H new ATOM 0 HG3 GLN A 26 -13.604 7.498 2.352 1.00 21.10 H new ATOM 0 HE21 GLN A 26 -16.207 6.434 3.004 1.00 74.44 H new ATOM 0 HE22 GLN A 26 -16.342 4.857 2.218 1.00 74.44 H new ATOM 452 N HIS A 27 -12.376 10.150 1.765 1.00 41.32 N ATOM 453 CA HIS A 27 -11.085 10.412 2.393 1.00 55.51 C ATOM 454 C HIS A 27 -10.135 11.138 1.418 1.00 3.31 C ATOM 455 O HIS A 27 -9.075 10.610 1.070 1.00 55.11 O ATOM 456 CB HIS A 27 -10.467 9.104 2.929 1.00 54.24 C ATOM 457 CG HIS A 27 -11.294 8.357 3.949 1.00 63.32 C ATOM 458 ND1 HIS A 27 -11.681 7.045 3.873 1.00 41.50 N flip ATOM 459 CD2 HIS A 27 -11.772 8.861 5.137 1.00 41.12 C flip ATOM 460 CE1 HIS A 27 -12.431 6.753 5.017 1.00 1.10 C flip ATOM 461 NE2 HIS A 27 -12.451 7.877 5.753 1.00 60.03 N flip ATOM 0 H HIS A 27 -12.281 9.738 0.837 1.00 41.32 H new ATOM 0 HA HIS A 27 -11.242 11.075 3.244 1.00 55.51 H new ATOM 0 HB2 HIS A 27 -10.279 8.440 2.085 1.00 54.24 H new ATOM 0 HB3 HIS A 27 -9.499 9.337 3.373 1.00 54.24 H new ATOM 0 HD2 HIS A 27 -11.628 9.865 5.508 1.00 41.12 H new ATOM 0 HE1 HIS A 27 -12.901 5.811 5.260 1.00 1.10 H new ATOM 0 HE2 HIS A 27 -12.917 7.971 6.655 1.00 60.03 H new ATOM 469 N PRO A 28 -10.436 12.383 1.003 1.00 34.32 N ATOM 470 CA PRO A 28 -9.587 13.148 0.086 1.00 74.04 C ATOM 471 C PRO A 28 -8.239 13.494 0.715 1.00 4.32 C ATOM 472 O PRO A 28 -7.277 13.782 -0.003 1.00 74.12 O ATOM 473 CB PRO A 28 -10.365 14.424 -0.257 1.00 63.23 C ATOM 474 CG PRO A 28 -11.351 14.571 0.895 1.00 44.32 C ATOM 475 CD PRO A 28 -11.626 13.138 1.332 1.00 34.35 C ATOM 0 HA PRO A 28 -9.364 12.561 -0.805 1.00 74.04 H new ATOM 0 HB2 PRO A 28 -9.704 15.288 -0.330 1.00 63.23 H new ATOM 0 HB3 PRO A 28 -10.879 14.334 -1.214 1.00 63.23 H new ATOM 0 HG2 PRO A 28 -10.929 15.162 1.708 1.00 44.32 H new ATOM 0 HG3 PRO A 28 -12.265 15.073 0.577 1.00 44.32 H new ATOM 0 HD2 PRO A 28 -11.835 13.090 2.401 1.00 34.35 H new ATOM 0 HD3 PRO A 28 -12.498 12.734 0.818 1.00 34.35 H new ATOM 483 N THR A 29 -8.140 13.392 2.042 1.00 75.13 N ATOM 484 CA THR A 29 -6.949 13.685 2.811 1.00 35.12 C ATOM 485 C THR A 29 -6.051 12.447 2.938 1.00 51.20 C ATOM 486 O THR A 29 -4.991 12.515 3.561 1.00 40.24 O ATOM 487 CB THR A 29 -7.418 14.203 4.185 1.00 51.34 C ATOM 488 OG1 THR A 29 -8.294 13.277 4.813 1.00 64.11 O ATOM 489 CG2 THR A 29 -8.201 15.515 4.044 1.00 24.44 C ATOM 0 H THR A 29 -8.922 13.091 2.624 1.00 75.13 H new ATOM 0 HA THR A 29 -6.341 14.441 2.314 1.00 35.12 H new ATOM 0 HB THR A 29 -6.516 14.349 4.779 1.00 51.34 H new ATOM 0 HG1 THR A 29 -8.574 13.630 5.683 1.00 64.11 H new ATOM 0 HG21 THR A 29 -8.519 15.857 5.029 1.00 24.44 H new ATOM 0 HG22 THR A 29 -7.564 16.272 3.586 1.00 24.44 H new ATOM 0 HG23 THR A 29 -9.077 15.350 3.417 1.00 24.44 H new ATOM 497 N LYS A 30 -6.422 11.315 2.329 1.00 62.30 N ATOM 498 CA LYS A 30 -5.643 10.087 2.356 1.00 2.25 C ATOM 499 C LYS A 30 -5.385 9.692 0.911 1.00 41.23 C ATOM 500 O LYS A 30 -6.174 9.965 -0.005 1.00 24.14 O ATOM 501 CB LYS A 30 -6.341 8.993 3.189 1.00 64.12 C ATOM 502 CG LYS A 30 -6.366 9.253 4.714 1.00 24.23 C ATOM 503 CD LYS A 30 -4.977 9.524 5.326 1.00 33.24 C ATOM 504 CE LYS A 30 -4.789 9.282 6.833 1.00 15.41 C ATOM 505 NZ LYS A 30 -5.750 10.030 7.686 1.00 31.44 N ATOM 0 H LYS A 30 -7.288 11.233 1.796 1.00 62.30 H new ATOM 0 HA LYS A 30 -4.686 10.233 2.857 1.00 2.25 H new ATOM 0 HB2 LYS A 30 -7.367 8.887 2.836 1.00 64.12 H new ATOM 0 HB3 LYS A 30 -5.841 8.042 3.005 1.00 64.12 H new ATOM 0 HG2 LYS A 30 -7.014 10.106 4.916 1.00 24.23 H new ATOM 0 HG3 LYS A 30 -6.809 8.391 5.212 1.00 24.23 H new ATOM 0 HD2 LYS A 30 -4.253 8.905 4.796 1.00 33.24 H new ATOM 0 HD3 LYS A 30 -4.719 10.563 5.121 1.00 33.24 H new ATOM 0 HE2 LYS A 30 -4.891 8.216 7.036 1.00 15.41 H new ATOM 0 HE3 LYS A 30 -3.774 9.564 7.113 1.00 15.41 H new ATOM 0 HZ1 LYS A 30 -5.564 9.818 8.687 1.00 31.44 H new ATOM 0 HZ2 LYS A 30 -5.639 11.051 7.522 1.00 31.44 H new ATOM 0 HZ3 LYS A 30 -6.721 9.745 7.447 1.00 31.44 H new ATOM 519 N ILE A 31 -4.272 9.003 0.717 1.00 40.14 N ATOM 520 CA ILE A 31 -3.793 8.540 -0.565 1.00 20.34 C ATOM 521 C ILE A 31 -3.964 7.018 -0.621 1.00 63.31 C ATOM 522 O ILE A 31 -3.459 6.330 0.272 1.00 62.31 O ATOM 523 CB ILE A 31 -2.331 9.003 -0.736 1.00 24.15 C ATOM 524 CG1 ILE A 31 -2.258 10.548 -0.599 1.00 0.42 C ATOM 525 CG2 ILE A 31 -1.767 8.468 -2.058 1.00 75.14 C ATOM 526 CD1 ILE A 31 -1.116 11.238 -1.339 1.00 25.42 C ATOM 0 H ILE A 31 -3.654 8.742 1.486 1.00 40.14 H new ATOM 0 HA ILE A 31 -4.360 8.959 -1.397 1.00 20.34 H new ATOM 0 HB ILE A 31 -1.699 8.592 0.051 1.00 24.15 H new ATOM 0 HG12 ILE A 31 -3.199 10.968 -0.954 1.00 0.42 H new ATOM 0 HG13 ILE A 31 -2.178 10.794 0.460 1.00 0.42 H new ATOM 0 HG21 ILE A 31 -0.735 8.798 -2.173 1.00 75.14 H new ATOM 0 HG22 ILE A 31 -1.801 7.379 -2.054 1.00 75.14 H new ATOM 0 HG23 ILE A 31 -2.364 8.847 -2.888 1.00 75.14 H new ATOM 0 HD11 ILE A 31 -1.169 12.313 -1.169 1.00 25.42 H new ATOM 0 HD12 ILE A 31 -0.163 10.859 -0.971 1.00 25.42 H new ATOM 0 HD13 ILE A 31 -1.199 11.035 -2.407 1.00 25.42 H new ATOM 538 N PRO A 32 -4.680 6.486 -1.629 1.00 23.42 N ATOM 539 CA PRO A 32 -4.892 5.057 -1.802 1.00 24.10 C ATOM 540 C PRO A 32 -3.631 4.427 -2.417 1.00 34.23 C ATOM 541 O PRO A 32 -3.272 4.723 -3.564 1.00 61.41 O ATOM 542 CB PRO A 32 -6.108 4.954 -2.724 1.00 40.51 C ATOM 543 CG PRO A 32 -6.032 6.209 -3.595 1.00 61.43 C ATOM 544 CD PRO A 32 -5.323 7.229 -2.709 1.00 0.32 C ATOM 0 HA PRO A 32 -5.072 4.524 -0.869 1.00 24.10 H new ATOM 0 HB2 PRO A 32 -6.073 4.048 -3.329 1.00 40.51 H new ATOM 0 HB3 PRO A 32 -7.037 4.921 -2.155 1.00 40.51 H new ATOM 0 HG2 PRO A 32 -5.476 6.024 -4.514 1.00 61.43 H new ATOM 0 HG3 PRO A 32 -7.024 6.554 -3.886 1.00 61.43 H new ATOM 0 HD2 PRO A 32 -4.586 7.791 -3.282 1.00 0.32 H new ATOM 0 HD3 PRO A 32 -6.034 7.952 -2.309 1.00 0.32 H new ATOM 552 N VAL A 33 -2.952 3.553 -1.668 1.00 53.24 N ATOM 553 CA VAL A 33 -1.735 2.894 -2.142 1.00 72.03 C ATOM 554 C VAL A 33 -1.812 1.376 -1.930 1.00 24.00 C ATOM 555 O VAL A 33 -2.375 0.907 -0.933 1.00 0.52 O ATOM 556 CB VAL A 33 -0.501 3.585 -1.514 1.00 14.51 C ATOM 557 CG1 VAL A 33 -0.448 3.465 0.012 1.00 11.31 C ATOM 558 CG2 VAL A 33 0.826 3.067 -2.078 1.00 51.15 C ATOM 0 H VAL A 33 -3.229 3.285 -0.724 1.00 53.24 H new ATOM 0 HA VAL A 33 -1.630 3.009 -3.221 1.00 72.03 H new ATOM 0 HB VAL A 33 -0.626 4.633 -1.784 1.00 14.51 H new ATOM 0 HG11 VAL A 33 0.442 3.971 0.386 1.00 11.31 H new ATOM 0 HG12 VAL A 33 -1.336 3.926 0.444 1.00 11.31 H new ATOM 0 HG13 VAL A 33 -0.412 2.413 0.293 1.00 11.31 H new ATOM 0 HG21 VAL A 33 1.654 3.590 -1.599 1.00 51.15 H new ATOM 0 HG22 VAL A 33 0.911 1.998 -1.884 1.00 51.15 H new ATOM 0 HG23 VAL A 33 0.859 3.245 -3.153 1.00 51.15 H new ATOM 568 N ILE A 34 -1.291 0.630 -2.907 1.00 43.43 N ATOM 569 CA ILE A 34 -1.200 -0.820 -2.974 1.00 11.51 C ATOM 570 C ILE A 34 0.214 -1.159 -2.523 1.00 2.40 C ATOM 571 O ILE A 34 1.173 -0.718 -3.157 1.00 0.13 O ATOM 572 CB ILE A 34 -1.428 -1.334 -4.423 1.00 44.24 C ATOM 573 CG1 ILE A 34 -2.854 -1.102 -4.951 1.00 53.15 C ATOM 574 CG2 ILE A 34 -1.052 -2.815 -4.638 1.00 14.50 C ATOM 575 CD1 ILE A 34 -3.982 -1.687 -4.087 1.00 60.35 C ATOM 0 H ILE A 34 -0.890 1.066 -3.737 1.00 43.43 H new ATOM 0 HA ILE A 34 -1.961 -1.289 -2.350 1.00 11.51 H new ATOM 0 HB ILE A 34 -0.738 -0.719 -5.001 1.00 44.24 H new ATOM 0 HG12 ILE A 34 -3.016 -0.029 -5.051 1.00 53.15 H new ATOM 0 HG13 ILE A 34 -2.927 -1.530 -5.951 1.00 53.15 H new ATOM 0 HG21 ILE A 34 -1.242 -3.092 -5.675 1.00 14.50 H new ATOM 0 HG22 ILE A 34 0.004 -2.959 -4.412 1.00 14.50 H new ATOM 0 HG23 ILE A 34 -1.653 -3.442 -3.979 1.00 14.50 H new ATOM 0 HD11 ILE A 34 -4.945 -1.467 -4.548 1.00 60.35 H new ATOM 0 HD12 ILE A 34 -3.856 -2.767 -4.006 1.00 60.35 H new ATOM 0 HD13 ILE A 34 -3.946 -1.242 -3.092 1.00 60.35 H new ATOM 587 N ILE A 35 0.350 -1.923 -1.443 1.00 24.41 N ATOM 588 CA ILE A 35 1.633 -2.355 -0.918 1.00 24.42 C ATOM 589 C ILE A 35 1.641 -3.860 -1.141 1.00 0.20 C ATOM 590 O ILE A 35 0.929 -4.602 -0.459 1.00 15.23 O ATOM 591 CB ILE A 35 1.790 -1.974 0.567 1.00 31.00 C ATOM 592 CG1 ILE A 35 1.656 -0.462 0.824 1.00 52.54 C ATOM 593 CG2 ILE A 35 3.134 -2.487 1.117 1.00 75.01 C ATOM 594 CD1 ILE A 35 2.634 0.443 0.067 1.00 31.11 C ATOM 0 H ILE A 35 -0.445 -2.263 -0.902 1.00 24.41 H new ATOM 0 HA ILE A 35 2.476 -1.872 -1.412 1.00 24.42 H new ATOM 0 HB ILE A 35 0.968 -2.457 1.095 1.00 31.00 H new ATOM 0 HG12 ILE A 35 0.641 -0.160 0.567 1.00 52.54 H new ATOM 0 HG13 ILE A 35 1.781 -0.284 1.892 1.00 52.54 H new ATOM 0 HG21 ILE A 35 3.228 -2.209 2.167 1.00 75.01 H new ATOM 0 HG22 ILE A 35 3.175 -3.572 1.024 1.00 75.01 H new ATOM 0 HG23 ILE A 35 3.952 -2.043 0.550 1.00 75.01 H new ATOM 0 HD11 ILE A 35 2.443 1.484 0.329 1.00 31.11 H new ATOM 0 HD12 ILE A 35 3.657 0.182 0.339 1.00 31.11 H new ATOM 0 HD13 ILE A 35 2.499 0.308 -1.006 1.00 31.11 H new ATOM 606 N GLU A 36 2.476 -4.304 -2.071 1.00 64.31 N ATOM 607 CA GLU A 36 2.609 -5.716 -2.429 1.00 74.43 C ATOM 608 C GLU A 36 4.054 -6.180 -2.208 1.00 15.52 C ATOM 609 O GLU A 36 4.985 -5.376 -2.239 1.00 2.21 O ATOM 610 CB GLU A 36 2.112 -5.899 -3.878 1.00 15.11 C ATOM 611 CG GLU A 36 1.874 -7.364 -4.290 1.00 61.32 C ATOM 612 CD GLU A 36 0.428 -7.662 -4.715 1.00 15.24 C ATOM 613 OE1 GLU A 36 0.012 -7.291 -5.837 1.00 33.32 O ATOM 614 OE2 GLU A 36 -0.267 -8.358 -3.932 1.00 20.10 O ATOM 0 H GLU A 36 3.089 -3.689 -2.606 1.00 64.31 H new ATOM 0 HA GLU A 36 1.994 -6.349 -1.789 1.00 74.43 H new ATOM 0 HB2 GLU A 36 1.182 -5.344 -4.003 1.00 15.11 H new ATOM 0 HB3 GLU A 36 2.841 -5.457 -4.558 1.00 15.11 H new ATOM 0 HG2 GLU A 36 2.543 -7.613 -5.113 1.00 61.32 H new ATOM 0 HG3 GLU A 36 2.139 -8.014 -3.456 1.00 61.32 H new ATOM 621 N ARG A 37 4.255 -7.459 -1.891 1.00 44.31 N ATOM 622 CA ARG A 37 5.579 -8.010 -1.679 1.00 23.34 C ATOM 623 C ARG A 37 6.097 -8.380 -3.066 1.00 33.14 C ATOM 624 O ARG A 37 5.310 -8.888 -3.869 1.00 21.01 O ATOM 625 CB ARG A 37 5.437 -9.246 -0.778 1.00 73.41 C ATOM 626 CG ARG A 37 6.815 -9.817 -0.429 1.00 63.31 C ATOM 627 CD ARG A 37 6.778 -11.318 -0.156 1.00 14.14 C ATOM 628 NE ARG A 37 6.346 -12.046 -1.355 1.00 12.32 N ATOM 629 CZ ARG A 37 6.406 -13.379 -1.488 1.00 53.35 C ATOM 630 NH1 ARG A 37 6.667 -14.147 -0.435 1.00 1.11 N ATOM 631 NH2 ARG A 37 6.182 -13.953 -2.665 1.00 73.13 N ATOM 0 H ARG A 37 3.501 -8.136 -1.776 1.00 44.31 H new ATOM 0 HA ARG A 37 6.269 -7.319 -1.194 1.00 23.34 H new ATOM 0 HB2 ARG A 37 4.906 -8.978 0.135 1.00 73.41 H new ATOM 0 HB3 ARG A 37 4.840 -10.005 -1.283 1.00 73.41 H new ATOM 0 HG2 ARG A 37 7.505 -9.618 -1.249 1.00 63.31 H new ATOM 0 HG3 ARG A 37 7.206 -9.302 0.448 1.00 63.31 H new ATOM 0 HD2 ARG A 37 7.766 -11.663 0.150 1.00 14.14 H new ATOM 0 HD3 ARG A 37 6.097 -11.527 0.669 1.00 14.14 H new ATOM 0 HE ARG A 37 5.977 -11.504 -2.136 1.00 12.32 H new ATOM 0 HH11 ARG A 37 6.823 -13.723 0.479 1.00 1.11 H new ATOM 0 HH12 ARG A 37 6.712 -15.160 -0.541 1.00 1.11 H new ATOM 0 HH21 ARG A 37 5.962 -13.379 -3.479 1.00 73.13 H new ATOM 0 HH22 ARG A 37 6.230 -14.968 -2.755 1.00 73.13 H new ATOM 645 N TYR A 38 7.378 -8.159 -3.370 1.00 3.44 N ATOM 646 CA TYR A 38 7.894 -8.531 -4.682 1.00 64.34 C ATOM 647 C TYR A 38 7.740 -10.037 -4.894 1.00 42.11 C ATOM 648 O TYR A 38 7.761 -10.817 -3.939 1.00 33.24 O ATOM 649 CB TYR A 38 9.350 -8.093 -4.846 1.00 22.30 C ATOM 650 CG TYR A 38 9.923 -8.317 -6.233 1.00 71.04 C ATOM 651 CD1 TYR A 38 9.266 -7.802 -7.372 1.00 63.41 C ATOM 652 CD2 TYR A 38 11.141 -9.008 -6.383 1.00 0.32 C ATOM 653 CE1 TYR A 38 9.829 -7.962 -8.650 1.00 13.32 C ATOM 654 CE2 TYR A 38 11.705 -9.173 -7.659 1.00 41.12 C ATOM 655 CZ TYR A 38 11.062 -8.635 -8.796 1.00 34.03 C ATOM 656 OH TYR A 38 11.613 -8.810 -10.027 1.00 60.44 O ATOM 0 H TYR A 38 8.060 -7.735 -2.741 1.00 3.44 H new ATOM 0 HA TYR A 38 7.313 -8.013 -5.445 1.00 64.34 H new ATOM 0 HB2 TYR A 38 9.427 -7.033 -4.602 1.00 22.30 H new ATOM 0 HB3 TYR A 38 9.962 -8.632 -4.123 1.00 22.30 H new ATOM 0 HD1 TYR A 38 8.326 -7.282 -7.261 1.00 63.41 H new ATOM 0 HD2 TYR A 38 11.642 -9.412 -5.516 1.00 0.32 H new ATOM 0 HE1 TYR A 38 9.320 -7.571 -9.518 1.00 13.32 H new ATOM 0 HE2 TYR A 38 12.634 -9.713 -7.771 1.00 41.12 H new ATOM 0 HH TYR A 38 12.462 -9.292 -9.940 1.00 60.44 H new ATOM 666 N LYS A 39 7.604 -10.468 -6.150 1.00 14.24 N ATOM 667 CA LYS A 39 7.449 -11.888 -6.439 1.00 15.54 C ATOM 668 C LYS A 39 8.719 -12.662 -6.099 1.00 52.44 C ATOM 669 O LYS A 39 8.612 -13.799 -5.643 1.00 1.40 O ATOM 670 CB LYS A 39 6.985 -12.132 -7.885 1.00 73.11 C ATOM 671 CG LYS A 39 7.835 -11.413 -8.946 1.00 54.15 C ATOM 672 CD LYS A 39 7.617 -12.033 -10.331 1.00 11.12 C ATOM 673 CE LYS A 39 8.439 -11.319 -11.407 1.00 52.35 C ATOM 674 NZ LYS A 39 7.819 -10.054 -11.852 1.00 63.41 N ATOM 0 H LYS A 39 7.598 -9.861 -6.970 1.00 14.24 H new ATOM 0 HA LYS A 39 6.658 -12.271 -5.795 1.00 15.54 H new ATOM 0 HB2 LYS A 39 7.003 -13.203 -8.085 1.00 73.11 H new ATOM 0 HB3 LYS A 39 5.949 -11.807 -7.983 1.00 73.11 H new ATOM 0 HG2 LYS A 39 7.574 -10.355 -8.971 1.00 54.15 H new ATOM 0 HG3 LYS A 39 8.889 -11.475 -8.677 1.00 54.15 H new ATOM 0 HD2 LYS A 39 7.890 -13.088 -10.305 1.00 11.12 H new ATOM 0 HD3 LYS A 39 6.559 -11.984 -10.589 1.00 11.12 H new ATOM 0 HE2 LYS A 39 9.437 -11.113 -11.019 1.00 52.35 H new ATOM 0 HE3 LYS A 39 8.560 -11.981 -12.265 1.00 52.35 H new ATOM 0 HZ1 LYS A 39 8.416 -9.612 -12.580 1.00 63.41 H new ATOM 0 HZ2 LYS A 39 6.877 -10.249 -12.248 1.00 63.41 H new ATOM 0 HZ3 LYS A 39 7.727 -9.409 -11.042 1.00 63.41 H new ATOM 688 N GLY A 40 9.889 -12.039 -6.246 1.00 12.10 N ATOM 689 CA GLY A 40 11.168 -12.654 -5.946 1.00 4.44 C ATOM 690 C GLY A 40 11.531 -12.530 -4.466 1.00 3.53 C ATOM 691 O GLY A 40 12.637 -12.925 -4.094 1.00 73.23 O ATOM 0 H GLY A 40 9.968 -11.079 -6.582 1.00 12.10 H new ATOM 0 HA2 GLY A 40 11.138 -13.707 -6.225 1.00 4.44 H new ATOM 0 HA3 GLY A 40 11.945 -12.187 -6.550 1.00 4.44 H new ATOM 695 N GLU A 41 10.682 -11.925 -3.628 1.00 51.32 N ATOM 696 CA GLU A 41 10.930 -11.766 -2.206 1.00 2.24 C ATOM 697 C GLU A 41 10.559 -13.080 -1.524 1.00 60.12 C ATOM 698 O GLU A 41 9.535 -13.687 -1.844 1.00 51.33 O ATOM 699 CB GLU A 41 10.090 -10.598 -1.694 1.00 15.14 C ATOM 700 CG GLU A 41 10.343 -10.225 -0.231 1.00 13.52 C ATOM 701 CD GLU A 41 11.827 -10.229 0.123 1.00 75.45 C ATOM 702 OE1 GLU A 41 12.533 -9.241 -0.142 1.00 0.13 O ATOM 703 OE2 GLU A 41 12.293 -11.264 0.637 1.00 20.23 O ATOM 0 H GLU A 41 9.792 -11.529 -3.931 1.00 51.32 H new ATOM 0 HA GLU A 41 11.975 -11.543 -1.992 1.00 2.24 H new ATOM 0 HB2 GLU A 41 10.287 -9.725 -2.317 1.00 15.14 H new ATOM 0 HB3 GLU A 41 9.035 -10.845 -1.815 1.00 15.14 H new ATOM 0 HG2 GLU A 41 9.928 -9.236 -0.034 1.00 13.52 H new ATOM 0 HG3 GLU A 41 9.816 -10.926 0.416 1.00 13.52 H new ATOM 710 N LYS A 42 11.415 -13.549 -0.618 1.00 32.43 N ATOM 711 CA LYS A 42 11.216 -14.789 0.128 1.00 62.25 C ATOM 712 C LYS A 42 11.632 -14.662 1.591 1.00 20.21 C ATOM 713 O LYS A 42 11.227 -15.508 2.397 1.00 44.54 O ATOM 714 CB LYS A 42 12.012 -15.935 -0.526 1.00 75.34 C ATOM 715 CG LYS A 42 11.641 -16.244 -1.986 1.00 34.10 C ATOM 716 CD LYS A 42 10.275 -16.906 -2.174 1.00 33.02 C ATOM 717 CE LYS A 42 10.330 -18.403 -1.848 1.00 73.44 C ATOM 718 NZ LYS A 42 9.321 -19.163 -2.613 1.00 31.34 N ATOM 0 H LYS A 42 12.282 -13.069 -0.378 1.00 32.43 H new ATOM 0 HA LYS A 42 10.148 -15.006 0.101 1.00 62.25 H new ATOM 0 HB2 LYS A 42 13.073 -15.689 -0.482 1.00 75.34 H new ATOM 0 HB3 LYS A 42 11.869 -16.839 0.067 1.00 75.34 H new ATOM 0 HG2 LYS A 42 11.660 -15.315 -2.556 1.00 34.10 H new ATOM 0 HG3 LYS A 42 12.406 -16.894 -2.411 1.00 34.10 H new ATOM 0 HD2 LYS A 42 9.541 -16.419 -1.532 1.00 33.02 H new ATOM 0 HD3 LYS A 42 9.940 -16.768 -3.202 1.00 33.02 H new ATOM 0 HE2 LYS A 42 11.324 -18.789 -2.073 1.00 73.44 H new ATOM 0 HE3 LYS A 42 10.165 -18.550 -0.781 1.00 73.44 H new ATOM 0 HZ1 LYS A 42 9.387 -20.172 -2.368 1.00 31.34 H new ATOM 0 HZ2 LYS A 42 8.371 -18.811 -2.379 1.00 31.34 H new ATOM 0 HZ3 LYS A 42 9.494 -19.042 -3.631 1.00 31.34 H new ATOM 732 N GLN A 43 12.473 -13.680 1.924 1.00 71.41 N ATOM 733 CA GLN A 43 12.954 -13.448 3.270 1.00 75.15 C ATOM 734 C GLN A 43 12.044 -12.468 4.000 1.00 14.50 C ATOM 735 O GLN A 43 11.870 -12.610 5.210 1.00 71.32 O ATOM 736 CB GLN A 43 14.423 -12.981 3.274 1.00 43.32 C ATOM 737 CG GLN A 43 14.746 -11.701 2.471 1.00 44.12 C ATOM 738 CD GLN A 43 15.223 -11.902 1.026 1.00 34.11 C ATOM 739 OE1 GLN A 43 15.916 -11.056 0.481 1.00 11.21 O ATOM 740 NE2 GLN A 43 14.975 -13.022 0.373 1.00 12.23 N ATOM 0 H GLN A 43 12.841 -13.015 1.244 1.00 71.41 H new ATOM 0 HA GLN A 43 12.926 -14.395 3.809 1.00 75.15 H new ATOM 0 HB2 GLN A 43 14.726 -12.819 4.309 1.00 43.32 H new ATOM 0 HB3 GLN A 43 15.039 -13.792 2.885 1.00 43.32 H new ATOM 0 HG2 GLN A 43 13.853 -11.076 2.452 1.00 44.12 H new ATOM 0 HG3 GLN A 43 15.513 -11.145 3.009 1.00 44.12 H new ATOM 0 HE21 GLN A 43 14.400 -13.746 0.803 1.00 12.23 H new ATOM 0 HE22 GLN A 43 15.359 -13.163 -0.561 1.00 12.23 H new ATOM 749 N LEU A 44 11.467 -11.474 3.315 1.00 42.45 N ATOM 750 CA LEU A 44 10.594 -10.525 4.005 1.00 60.01 C ATOM 751 C LEU A 44 9.202 -11.141 4.181 1.00 53.55 C ATOM 752 O LEU A 44 8.789 -11.966 3.354 1.00 15.23 O ATOM 753 CB LEU A 44 10.498 -9.180 3.274 1.00 44.32 C ATOM 754 CG LEU A 44 11.821 -8.402 3.184 1.00 34.20 C ATOM 755 CD1 LEU A 44 11.543 -7.092 2.447 1.00 63.35 C ATOM 756 CD2 LEU A 44 12.442 -8.076 4.551 1.00 15.24 C ATOM 0 H LEU A 44 11.584 -11.310 2.315 1.00 42.45 H new ATOM 0 HA LEU A 44 11.032 -10.321 4.982 1.00 60.01 H new ATOM 0 HB2 LEU A 44 10.126 -9.356 2.265 1.00 44.32 H new ATOM 0 HB3 LEU A 44 9.760 -8.558 3.781 1.00 44.32 H new ATOM 0 HG LEU A 44 12.538 -9.035 2.660 1.00 34.20 H new ATOM 0 HD11 LEU A 44 12.465 -6.517 2.367 1.00 63.35 H new ATOM 0 HD12 LEU A 44 11.164 -7.310 1.449 1.00 63.35 H new ATOM 0 HD13 LEU A 44 10.801 -6.514 2.999 1.00 63.35 H new ATOM 0 HD21 LEU A 44 13.372 -7.527 4.406 1.00 15.24 H new ATOM 0 HD22 LEU A 44 11.748 -7.467 5.130 1.00 15.24 H new ATOM 0 HD23 LEU A 44 12.647 -9.002 5.088 1.00 15.24 H new ATOM 768 N PRO A 45 8.458 -10.736 5.223 1.00 23.40 N ATOM 769 CA PRO A 45 7.129 -11.256 5.475 1.00 53.55 C ATOM 770 C PRO A 45 6.111 -10.626 4.523 1.00 43.31 C ATOM 771 O PRO A 45 6.333 -9.536 3.981 1.00 2.32 O ATOM 772 CB PRO A 45 6.828 -10.883 6.931 1.00 23.40 C ATOM 773 CG PRO A 45 7.590 -9.575 7.120 1.00 64.22 C ATOM 774 CD PRO A 45 8.835 -9.783 6.256 1.00 35.22 C ATOM 0 HA PRO A 45 7.070 -12.332 5.312 1.00 53.55 H new ATOM 0 HB2 PRO A 45 5.759 -10.755 7.101 1.00 23.40 H new ATOM 0 HB3 PRO A 45 7.171 -11.652 7.623 1.00 23.40 H new ATOM 0 HG2 PRO A 45 7.007 -8.715 6.790 1.00 64.22 H new ATOM 0 HG3 PRO A 45 7.847 -9.403 8.165 1.00 64.22 H new ATOM 0 HD2 PRO A 45 9.165 -8.842 5.816 1.00 35.22 H new ATOM 0 HD3 PRO A 45 9.664 -10.164 6.853 1.00 35.22 H new ATOM 782 N VAL A 46 4.991 -11.315 4.324 1.00 35.40 N ATOM 783 CA VAL A 46 3.900 -10.866 3.474 1.00 33.13 C ATOM 784 C VAL A 46 3.137 -9.797 4.270 1.00 35.32 C ATOM 785 O VAL A 46 2.821 -10.003 5.449 1.00 53.51 O ATOM 786 CB VAL A 46 3.015 -12.071 3.081 1.00 23.14 C ATOM 787 CG1 VAL A 46 1.897 -11.641 2.123 1.00 74.32 C ATOM 788 CG2 VAL A 46 3.834 -13.180 2.393 1.00 13.14 C ATOM 0 H VAL A 46 4.816 -12.220 4.760 1.00 35.40 H new ATOM 0 HA VAL A 46 4.252 -10.433 2.538 1.00 33.13 H new ATOM 0 HB VAL A 46 2.590 -12.457 4.007 1.00 23.14 H new ATOM 0 HG11 VAL A 46 1.289 -12.507 1.862 1.00 74.32 H new ATOM 0 HG12 VAL A 46 1.272 -10.891 2.607 1.00 74.32 H new ATOM 0 HG13 VAL A 46 2.335 -11.219 1.218 1.00 74.32 H new ATOM 0 HG21 VAL A 46 3.176 -14.009 2.132 1.00 13.14 H new ATOM 0 HG22 VAL A 46 4.295 -12.784 1.488 1.00 13.14 H new ATOM 0 HG23 VAL A 46 4.611 -13.533 3.071 1.00 13.14 H new ATOM 798 N LEU A 47 2.838 -8.654 3.646 1.00 11.22 N ATOM 799 CA LEU A 47 2.119 -7.578 4.314 1.00 33.31 C ATOM 800 C LEU A 47 0.727 -8.088 4.682 1.00 54.12 C ATOM 801 O LEU A 47 0.046 -8.671 3.839 1.00 21.03 O ATOM 802 CB LEU A 47 2.010 -6.315 3.430 1.00 40.54 C ATOM 803 CG LEU A 47 2.342 -4.981 4.136 1.00 33.13 C ATOM 804 CD1 LEU A 47 1.790 -4.851 5.565 1.00 3.52 C ATOM 805 CD2 LEU A 47 3.855 -4.753 4.146 1.00 60.23 C ATOM 0 H LEU A 47 3.086 -8.455 2.677 1.00 11.22 H new ATOM 0 HA LEU A 47 2.672 -7.289 5.208 1.00 33.31 H new ATOM 0 HB2 LEU A 47 2.678 -6.431 2.577 1.00 40.54 H new ATOM 0 HB3 LEU A 47 0.996 -6.255 3.035 1.00 40.54 H new ATOM 0 HG LEU A 47 1.836 -4.213 3.551 1.00 33.13 H new ATOM 0 HD11 LEU A 47 2.074 -3.883 5.978 1.00 3.52 H new ATOM 0 HD12 LEU A 47 0.703 -4.932 5.544 1.00 3.52 H new ATOM 0 HD13 LEU A 47 2.201 -5.646 6.188 1.00 3.52 H new ATOM 0 HD21 LEU A 47 4.078 -3.810 4.646 1.00 60.23 H new ATOM 0 HD22 LEU A 47 4.343 -5.570 4.678 1.00 60.23 H new ATOM 0 HD23 LEU A 47 4.224 -4.716 3.121 1.00 60.23 H new ATOM 817 N ASP A 48 0.285 -7.807 5.904 1.00 52.53 N ATOM 818 CA ASP A 48 -1.012 -8.207 6.453 1.00 52.22 C ATOM 819 C ASP A 48 -2.200 -7.776 5.588 1.00 14.31 C ATOM 820 O ASP A 48 -3.206 -8.478 5.493 1.00 74.03 O ATOM 821 CB ASP A 48 -1.136 -7.580 7.843 1.00 60.34 C ATOM 822 CG ASP A 48 -2.458 -7.924 8.509 1.00 42.11 C ATOM 823 OD1 ASP A 48 -2.723 -9.131 8.703 1.00 75.12 O ATOM 824 OD2 ASP A 48 -3.174 -6.993 8.943 1.00 43.22 O ATOM 0 H ASP A 48 0.843 -7.272 6.569 1.00 52.53 H new ATOM 0 HA ASP A 48 -1.045 -9.296 6.488 1.00 52.22 H new ATOM 0 HB2 ASP A 48 -0.314 -7.925 8.470 1.00 60.34 H new ATOM 0 HB3 ASP A 48 -1.043 -6.497 7.761 1.00 60.34 H new ATOM 829 N LYS A 49 -2.087 -6.606 4.962 1.00 2.33 N ATOM 830 CA LYS A 49 -3.088 -6.015 4.086 1.00 63.33 C ATOM 831 C LYS A 49 -2.363 -5.453 2.882 1.00 62.04 C ATOM 832 O LYS A 49 -1.195 -5.077 2.983 1.00 63.22 O ATOM 833 CB LYS A 49 -3.855 -4.903 4.812 1.00 43.31 C ATOM 834 CG LYS A 49 -5.120 -5.416 5.510 1.00 15.44 C ATOM 835 CD LYS A 49 -5.830 -4.218 6.153 1.00 35.30 C ATOM 836 CE LYS A 49 -7.337 -4.386 6.325 1.00 33.22 C ATOM 837 NZ LYS A 49 -7.732 -5.442 7.275 1.00 40.14 N ATOM 0 H LYS A 49 -1.257 -6.021 5.058 1.00 2.33 H new ATOM 0 HA LYS A 49 -3.815 -6.768 3.781 1.00 63.33 H new ATOM 0 HB2 LYS A 49 -3.201 -4.438 5.550 1.00 43.31 H new ATOM 0 HB3 LYS A 49 -4.129 -4.129 4.096 1.00 43.31 H new ATOM 0 HG2 LYS A 49 -5.777 -5.908 4.793 1.00 15.44 H new ATOM 0 HG3 LYS A 49 -4.863 -6.157 6.267 1.00 15.44 H new ATOM 0 HD2 LYS A 49 -5.385 -4.031 7.130 1.00 35.30 H new ATOM 0 HD3 LYS A 49 -5.644 -3.333 5.544 1.00 35.30 H new ATOM 0 HE2 LYS A 49 -7.759 -3.438 6.659 1.00 33.22 H new ATOM 0 HE3 LYS A 49 -7.778 -4.606 5.353 1.00 33.22 H new ATOM 0 HZ1 LYS A 49 -8.769 -5.488 7.331 1.00 40.14 H new ATOM 0 HZ2 LYS A 49 -7.362 -6.358 6.950 1.00 40.14 H new ATOM 0 HZ3 LYS A 49 -7.344 -5.226 8.215 1.00 40.14 H new ATOM 851 N THR A 50 -3.092 -5.274 1.782 1.00 72.15 N ATOM 852 CA THR A 50 -2.524 -4.758 0.550 1.00 51.23 C ATOM 853 C THR A 50 -2.941 -3.304 0.298 1.00 64.23 C ATOM 854 O THR A 50 -2.182 -2.580 -0.341 1.00 71.42 O ATOM 855 CB THR A 50 -2.956 -5.677 -0.611 1.00 64.41 C ATOM 856 OG1 THR A 50 -3.000 -7.052 -0.257 1.00 34.04 O ATOM 857 CG2 THR A 50 -2.044 -5.549 -1.830 1.00 24.44 C ATOM 0 H THR A 50 -4.089 -5.483 1.725 1.00 72.15 H new ATOM 0 HA THR A 50 -1.437 -4.754 0.629 1.00 51.23 H new ATOM 0 HB THR A 50 -3.962 -5.334 -0.854 1.00 64.41 H new ATOM 0 HG1 THR A 50 -3.281 -7.581 -1.033 1.00 34.04 H new ATOM 0 HG21 THR A 50 -2.393 -6.217 -2.617 1.00 24.44 H new ATOM 0 HG22 THR A 50 -2.062 -4.521 -2.192 1.00 24.44 H new ATOM 0 HG23 THR A 50 -1.025 -5.817 -1.552 1.00 24.44 H new ATOM 865 N LYS A 51 -4.109 -2.847 0.770 1.00 62.45 N ATOM 866 CA LYS A 51 -4.593 -1.478 0.559 1.00 32.21 C ATOM 867 C LYS A 51 -4.373 -0.612 1.801 1.00 33.42 C ATOM 868 O LYS A 51 -4.836 -0.968 2.885 1.00 20.14 O ATOM 869 CB LYS A 51 -6.072 -1.469 0.104 1.00 34.14 C ATOM 870 CG LYS A 51 -6.935 -2.705 0.409 1.00 31.14 C ATOM 871 CD LYS A 51 -8.422 -2.467 0.086 1.00 75.31 C ATOM 872 CE LYS A 51 -8.654 -2.190 -1.409 1.00 4.21 C ATOM 873 NZ LYS A 51 -10.078 -2.025 -1.775 1.00 74.24 N ATOM 0 H LYS A 51 -4.750 -3.424 1.314 1.00 62.45 H new ATOM 0 HA LYS A 51 -4.006 -1.038 -0.247 1.00 32.21 H new ATOM 0 HB2 LYS A 51 -6.555 -0.605 0.560 1.00 34.14 H new ATOM 0 HB3 LYS A 51 -6.087 -1.310 -0.974 1.00 34.14 H new ATOM 0 HG2 LYS A 51 -6.570 -3.553 -0.170 1.00 31.14 H new ATOM 0 HG3 LYS A 51 -6.831 -2.969 1.461 1.00 31.14 H new ATOM 0 HD2 LYS A 51 -9.002 -3.340 0.386 1.00 75.31 H new ATOM 0 HD3 LYS A 51 -8.789 -1.624 0.671 1.00 75.31 H new ATOM 0 HE2 LYS A 51 -8.110 -1.288 -1.690 1.00 4.21 H new ATOM 0 HE3 LYS A 51 -8.233 -3.010 -1.990 1.00 4.21 H new ATOM 0 HZ1 LYS A 51 -10.177 -2.062 -2.810 1.00 74.24 H new ATOM 0 HZ2 LYS A 51 -10.638 -2.789 -1.346 1.00 74.24 H new ATOM 0 HZ3 LYS A 51 -10.422 -1.107 -1.427 1.00 74.24 H new ATOM 887 N PHE A 52 -3.691 0.528 1.658 1.00 52.34 N ATOM 888 CA PHE A 52 -3.410 1.468 2.745 1.00 21.40 C ATOM 889 C PHE A 52 -3.937 2.866 2.410 1.00 55.15 C ATOM 890 O PHE A 52 -4.093 3.221 1.238 1.00 2.23 O ATOM 891 CB PHE A 52 -1.893 1.601 3.002 1.00 11.12 C ATOM 892 CG PHE A 52 -1.197 0.474 3.736 1.00 74.11 C ATOM 893 CD1 PHE A 52 -1.051 -0.793 3.141 1.00 61.15 C ATOM 894 CD2 PHE A 52 -0.645 0.717 5.011 1.00 74.44 C ATOM 895 CE1 PHE A 52 -0.406 -1.824 3.843 1.00 35.11 C ATOM 896 CE2 PHE A 52 -0.002 -0.316 5.713 1.00 74.03 C ATOM 897 CZ PHE A 52 0.097 -1.590 5.134 1.00 60.45 C ATOM 0 H PHE A 52 -3.310 0.829 0.761 1.00 52.34 H new ATOM 0 HA PHE A 52 -3.907 1.070 3.630 1.00 21.40 H new ATOM 0 HB2 PHE A 52 -1.400 1.727 2.038 1.00 11.12 H new ATOM 0 HB3 PHE A 52 -1.729 2.519 3.566 1.00 11.12 H new ATOM 0 HD1 PHE A 52 -1.434 -0.972 2.147 1.00 61.15 H new ATOM 0 HD2 PHE A 52 -0.717 1.701 5.449 1.00 74.44 H new ATOM 0 HE1 PHE A 52 -0.296 -2.798 3.390 1.00 35.11 H new ATOM 0 HE2 PHE A 52 0.414 -0.131 6.692 1.00 74.03 H new ATOM 0 HZ PHE A 52 0.562 -2.395 5.683 1.00 60.45 H new ATOM 907 N LEU A 53 -4.169 3.666 3.457 1.00 34.14 N ATOM 908 CA LEU A 53 -4.633 5.052 3.416 1.00 13.41 C ATOM 909 C LEU A 53 -3.521 5.820 4.108 1.00 43.41 C ATOM 910 O LEU A 53 -3.427 5.852 5.341 1.00 11.13 O ATOM 911 CB LEU A 53 -5.993 5.238 4.112 1.00 74.43 C ATOM 912 CG LEU A 53 -7.158 4.786 3.228 1.00 62.02 C ATOM 913 CD1 LEU A 53 -8.434 4.616 4.051 1.00 75.33 C ATOM 914 CD2 LEU A 53 -7.462 5.696 2.042 1.00 44.44 C ATOM 0 H LEU A 53 -4.028 3.340 4.413 1.00 34.14 H new ATOM 0 HA LEU A 53 -4.813 5.401 2.399 1.00 13.41 H new ATOM 0 HB2 LEU A 53 -6.004 4.671 5.043 1.00 74.43 H new ATOM 0 HB3 LEU A 53 -6.124 6.287 4.376 1.00 74.43 H new ATOM 0 HG LEU A 53 -6.825 3.834 2.815 1.00 62.02 H new ATOM 0 HD11 LEU A 53 -9.247 4.294 3.400 1.00 75.33 H new ATOM 0 HD12 LEU A 53 -8.271 3.866 4.825 1.00 75.33 H new ATOM 0 HD13 LEU A 53 -8.696 5.566 4.516 1.00 75.33 H new ATOM 0 HD21 LEU A 53 -8.302 5.291 1.478 1.00 44.44 H new ATOM 0 HD22 LEU A 53 -7.715 6.693 2.404 1.00 44.44 H new ATOM 0 HD23 LEU A 53 -6.586 5.756 1.396 1.00 44.44 H new ATOM 926 N VAL A 54 -2.673 6.455 3.310 1.00 4.21 N ATOM 927 CA VAL A 54 -1.522 7.193 3.813 1.00 33.13 C ATOM 928 C VAL A 54 -1.794 8.710 3.722 1.00 31.02 C ATOM 929 O VAL A 54 -2.347 9.151 2.718 1.00 63.41 O ATOM 930 CB VAL A 54 -0.270 6.624 3.105 1.00 41.51 C ATOM 931 CG1 VAL A 54 -0.209 5.085 3.220 1.00 13.53 C ATOM 932 CG2 VAL A 54 -0.178 6.973 1.625 1.00 75.23 C ATOM 0 H VAL A 54 -2.764 6.473 2.294 1.00 4.21 H new ATOM 0 HA VAL A 54 -1.328 7.059 4.877 1.00 33.13 H new ATOM 0 HB VAL A 54 0.566 7.095 3.623 1.00 41.51 H new ATOM 0 HG11 VAL A 54 0.683 4.717 2.712 1.00 13.53 H new ATOM 0 HG12 VAL A 54 -0.171 4.800 4.271 1.00 13.53 H new ATOM 0 HG13 VAL A 54 -1.095 4.650 2.758 1.00 13.53 H new ATOM 0 HG21 VAL A 54 0.728 6.537 1.204 1.00 75.23 H new ATOM 0 HG22 VAL A 54 -1.049 6.576 1.103 1.00 75.23 H new ATOM 0 HG23 VAL A 54 -0.147 8.056 1.508 1.00 75.23 H new ATOM 942 N PRO A 55 -1.532 9.512 4.772 1.00 53.50 N ATOM 943 CA PRO A 55 -1.779 10.957 4.779 1.00 4.12 C ATOM 944 C PRO A 55 -0.860 11.706 3.818 1.00 21.44 C ATOM 945 O PRO A 55 0.339 11.435 3.770 1.00 63.13 O ATOM 946 CB PRO A 55 -1.563 11.403 6.226 1.00 60.14 C ATOM 947 CG PRO A 55 -0.548 10.394 6.746 1.00 54.54 C ATOM 948 CD PRO A 55 -0.902 9.109 6.014 1.00 34.24 C ATOM 0 HA PRO A 55 -2.788 11.182 4.434 1.00 4.12 H new ATOM 0 HB2 PRO A 55 -1.183 12.423 6.282 1.00 60.14 H new ATOM 0 HB3 PRO A 55 -2.490 11.376 6.800 1.00 60.14 H new ATOM 0 HG2 PRO A 55 0.473 10.708 6.531 1.00 54.54 H new ATOM 0 HG3 PRO A 55 -0.623 10.272 7.827 1.00 54.54 H new ATOM 0 HD2 PRO A 55 -0.011 8.512 5.822 1.00 34.24 H new ATOM 0 HD3 PRO A 55 -1.576 8.494 6.611 1.00 34.24 H new ATOM 956 N ASP A 56 -1.403 12.689 3.105 1.00 24.31 N ATOM 957 CA ASP A 56 -0.671 13.488 2.120 1.00 32.12 C ATOM 958 C ASP A 56 0.496 14.305 2.683 1.00 11.33 C ATOM 959 O ASP A 56 1.430 14.575 1.935 1.00 44.22 O ATOM 960 CB ASP A 56 -1.667 14.325 1.295 1.00 61.41 C ATOM 961 CG ASP A 56 -1.538 15.849 1.369 1.00 65.04 C ATOM 962 OD1 ASP A 56 -1.676 16.426 2.473 1.00 23.42 O ATOM 963 OD2 ASP A 56 -1.473 16.492 0.293 1.00 45.34 O ATOM 0 H ASP A 56 -2.382 12.960 3.196 1.00 24.31 H new ATOM 0 HA ASP A 56 -0.164 12.788 1.455 1.00 32.12 H new ATOM 0 HB2 ASP A 56 -1.571 14.029 0.250 1.00 61.41 H new ATOM 0 HB3 ASP A 56 -2.675 14.057 1.611 1.00 61.41 H new ATOM 968 N HIS A 57 0.495 14.622 3.987 1.00 44.12 N ATOM 969 CA HIS A 57 1.563 15.403 4.615 1.00 55.33 C ATOM 970 C HIS A 57 2.814 14.583 4.960 1.00 11.53 C ATOM 971 O HIS A 57 3.880 15.162 5.198 1.00 62.03 O ATOM 972 CB HIS A 57 1.033 16.089 5.890 1.00 72.21 C ATOM 973 CG HIS A 57 0.669 15.187 7.049 1.00 63.42 C ATOM 974 ND1 HIS A 57 1.542 14.601 7.948 1.00 35.15 N ATOM 975 CD2 HIS A 57 -0.605 14.901 7.464 1.00 61.00 C ATOM 976 CE1 HIS A 57 0.804 13.950 8.865 1.00 75.23 C ATOM 977 NE2 HIS A 57 -0.507 14.126 8.624 1.00 24.14 N ATOM 0 H HIS A 57 -0.245 14.343 4.631 1.00 44.12 H new ATOM 0 HA HIS A 57 1.869 16.142 3.875 1.00 55.33 H new ATOM 0 HB2 HIS A 57 1.788 16.796 6.234 1.00 72.21 H new ATOM 0 HB3 HIS A 57 0.151 16.670 5.621 1.00 72.21 H new ATOM 0 HD2 HIS A 57 -1.519 15.217 6.983 1.00 61.00 H new ATOM 0 HE1 HIS A 57 1.208 13.368 9.680 1.00 75.23 H new ATOM 0 HE2 HIS A 57 -1.281 13.764 9.180 1.00 24.14 H new ATOM 985 N VAL A 58 2.704 13.257 5.061 1.00 55.50 N ATOM 986 CA VAL A 58 3.826 12.394 5.408 1.00 2.55 C ATOM 987 C VAL A 58 4.795 12.256 4.231 1.00 35.34 C ATOM 988 O VAL A 58 4.432 12.323 3.056 1.00 22.31 O ATOM 989 CB VAL A 58 3.269 11.051 5.929 1.00 12.33 C ATOM 990 CG1 VAL A 58 4.151 9.814 5.707 1.00 21.32 C ATOM 991 CG2 VAL A 58 2.922 11.160 7.420 1.00 61.30 C ATOM 0 H VAL A 58 1.831 12.754 4.903 1.00 55.50 H new ATOM 0 HA VAL A 58 4.421 12.833 6.209 1.00 2.55 H new ATOM 0 HB VAL A 58 2.383 10.882 5.317 1.00 12.33 H new ATOM 0 HG11 VAL A 58 3.653 8.934 6.115 1.00 21.32 H new ATOM 0 HG12 VAL A 58 4.318 9.673 4.639 1.00 21.32 H new ATOM 0 HG13 VAL A 58 5.108 9.955 6.209 1.00 21.32 H new ATOM 0 HG21 VAL A 58 2.531 10.206 7.773 1.00 61.30 H new ATOM 0 HG22 VAL A 58 3.819 11.416 7.985 1.00 61.30 H new ATOM 0 HG23 VAL A 58 2.170 11.936 7.563 1.00 61.30 H new ATOM 1001 N ASN A 59 6.058 12.048 4.590 1.00 63.42 N ATOM 1002 CA ASN A 59 7.192 11.856 3.698 1.00 71.11 C ATOM 1003 C ASN A 59 7.626 10.408 3.797 1.00 63.42 C ATOM 1004 O ASN A 59 7.563 9.814 4.881 1.00 43.31 O ATOM 1005 CB ASN A 59 8.372 12.776 4.052 1.00 11.35 C ATOM 1006 CG ASN A 59 8.408 13.192 5.514 1.00 63.02 C ATOM 1007 OD1 ASN A 59 8.197 14.355 5.839 1.00 11.35 O ATOM 1008 ND2 ASN A 59 8.572 12.248 6.421 1.00 12.21 N ATOM 0 H ASN A 59 6.332 12.007 5.572 1.00 63.42 H new ATOM 0 HA ASN A 59 6.885 12.108 2.683 1.00 71.11 H new ATOM 0 HB2 ASN A 59 9.304 12.267 3.806 1.00 11.35 H new ATOM 0 HB3 ASN A 59 8.323 13.670 3.430 1.00 11.35 H new ATOM 0 HD21 ASN A 59 8.524 12.480 7.413 1.00 12.21 H new ATOM 0 HD22 ASN A 59 8.747 11.286 6.130 1.00 12.21 H new ATOM 1015 N MET A 60 8.219 9.919 2.708 1.00 64.41 N ATOM 1016 CA MET A 60 8.696 8.551 2.539 1.00 60.13 C ATOM 1017 C MET A 60 9.487 8.020 3.745 1.00 55.41 C ATOM 1018 O MET A 60 9.298 6.868 4.124 1.00 41.23 O ATOM 1019 CB MET A 60 9.493 8.439 1.229 1.00 71.14 C ATOM 1020 CG MET A 60 8.664 8.702 -0.037 1.00 63.33 C ATOM 1021 SD MET A 60 7.417 7.464 -0.485 1.00 55.13 S ATOM 1022 CE MET A 60 8.464 6.053 -0.895 1.00 64.40 C ATOM 0 H MET A 60 8.387 10.494 1.883 1.00 64.41 H new ATOM 0 HA MET A 60 7.819 7.906 2.479 1.00 60.13 H new ATOM 0 HB2 MET A 60 10.322 9.146 1.260 1.00 71.14 H new ATOM 0 HB3 MET A 60 9.927 7.441 1.165 1.00 71.14 H new ATOM 0 HG2 MET A 60 8.160 9.661 0.083 1.00 63.33 H new ATOM 0 HG3 MET A 60 9.352 8.806 -0.876 1.00 63.33 H new ATOM 0 HE1 MET A 60 8.168 5.650 -1.864 1.00 64.40 H new ATOM 0 HE2 MET A 60 9.505 6.373 -0.937 1.00 64.40 H new ATOM 0 HE3 MET A 60 8.352 5.283 -0.132 1.00 64.40 H new ATOM 1032 N SER A 61 10.303 8.842 4.411 1.00 44.51 N ATOM 1033 CA SER A 61 11.100 8.470 5.577 1.00 4.44 C ATOM 1034 C SER A 61 10.213 7.832 6.656 1.00 21.15 C ATOM 1035 O SER A 61 10.459 6.692 7.080 1.00 13.31 O ATOM 1036 CB SER A 61 11.812 9.734 6.086 1.00 34.13 C ATOM 1037 OG SER A 61 12.596 9.508 7.244 1.00 73.20 O ATOM 0 H SER A 61 10.429 9.818 4.142 1.00 44.51 H new ATOM 0 HA SER A 61 11.847 7.722 5.311 1.00 4.44 H new ATOM 0 HB2 SER A 61 12.450 10.127 5.295 1.00 34.13 H new ATOM 0 HB3 SER A 61 11.067 10.499 6.304 1.00 34.13 H new ATOM 0 HG SER A 61 13.024 10.346 7.518 1.00 73.20 H new ATOM 1043 N GLU A 62 9.217 8.580 7.150 1.00 64.50 N ATOM 1044 CA GLU A 62 8.310 8.073 8.170 1.00 21.13 C ATOM 1045 C GLU A 62 7.380 7.004 7.607 1.00 4.31 C ATOM 1046 O GLU A 62 7.036 6.078 8.338 1.00 71.22 O ATOM 1047 CB GLU A 62 7.671 9.139 9.063 1.00 61.30 C ATOM 1048 CG GLU A 62 6.572 9.994 8.440 1.00 51.10 C ATOM 1049 CD GLU A 62 6.182 11.154 9.362 1.00 72.41 C ATOM 1050 OE1 GLU A 62 6.010 10.931 10.584 1.00 61.54 O ATOM 1051 OE2 GLU A 62 6.091 12.298 8.866 1.00 71.41 O ATOM 0 H GLU A 62 9.025 9.537 6.855 1.00 64.50 H new ATOM 0 HA GLU A 62 8.923 7.553 8.906 1.00 21.13 H new ATOM 0 HB2 GLU A 62 7.258 8.643 9.941 1.00 61.30 H new ATOM 0 HB3 GLU A 62 8.460 9.804 9.415 1.00 61.30 H new ATOM 0 HG2 GLU A 62 6.912 10.386 7.482 1.00 51.10 H new ATOM 0 HG3 GLU A 62 5.697 9.376 8.239 1.00 51.10 H new ATOM 1058 N LEU A 63 6.951 7.116 6.343 1.00 63.11 N ATOM 1059 CA LEU A 63 6.077 6.142 5.687 1.00 14.34 C ATOM 1060 C LEU A 63 6.732 4.749 5.811 1.00 32.11 C ATOM 1061 O LEU A 63 6.147 3.821 6.366 1.00 14.22 O ATOM 1062 CB LEU A 63 5.916 6.554 4.204 1.00 33.03 C ATOM 1063 CG LEU A 63 4.786 5.904 3.387 1.00 44.22 C ATOM 1064 CD1 LEU A 63 4.498 4.437 3.713 1.00 60.03 C ATOM 1065 CD2 LEU A 63 3.509 6.724 3.528 1.00 24.45 C ATOM 0 H LEU A 63 7.207 7.899 5.741 1.00 63.11 H new ATOM 0 HA LEU A 63 5.090 6.110 6.149 1.00 14.34 H new ATOM 0 HB2 LEU A 63 5.771 7.634 4.172 1.00 33.03 H new ATOM 0 HB3 LEU A 63 6.857 6.344 3.696 1.00 33.03 H new ATOM 0 HG LEU A 63 5.145 5.902 2.358 1.00 44.22 H new ATOM 0 HD11 LEU A 63 3.686 4.077 3.082 1.00 60.03 H new ATOM 0 HD12 LEU A 63 5.392 3.841 3.529 1.00 60.03 H new ATOM 0 HD13 LEU A 63 4.211 4.347 4.761 1.00 60.03 H new ATOM 0 HD21 LEU A 63 2.712 6.259 2.947 1.00 24.45 H new ATOM 0 HD22 LEU A 63 3.217 6.765 4.577 1.00 24.45 H new ATOM 0 HD23 LEU A 63 3.683 7.735 3.160 1.00 24.45 H new ATOM 1077 N ILE A 64 7.977 4.627 5.323 1.00 55.10 N ATOM 1078 CA ILE A 64 8.763 3.401 5.368 1.00 54.11 C ATOM 1079 C ILE A 64 8.895 2.971 6.831 1.00 73.33 C ATOM 1080 O ILE A 64 8.678 1.799 7.149 1.00 62.52 O ATOM 1081 CB ILE A 64 10.117 3.629 4.633 1.00 55.24 C ATOM 1082 CG1 ILE A 64 10.037 3.225 3.141 1.00 11.34 C ATOM 1083 CG2 ILE A 64 11.289 2.856 5.256 1.00 63.14 C ATOM 1084 CD1 ILE A 64 8.957 3.938 2.318 1.00 72.31 C ATOM 0 H ILE A 64 8.469 5.401 4.877 1.00 55.10 H new ATOM 0 HA ILE A 64 8.279 2.579 4.841 1.00 54.11 H new ATOM 0 HB ILE A 64 10.303 4.698 4.734 1.00 55.24 H new ATOM 0 HG12 ILE A 64 11.006 3.416 2.679 1.00 11.34 H new ATOM 0 HG13 ILE A 64 9.862 2.151 3.083 1.00 11.34 H new ATOM 0 HG21 ILE A 64 12.200 3.061 4.694 1.00 63.14 H new ATOM 0 HG22 ILE A 64 11.423 3.170 6.291 1.00 63.14 H new ATOM 0 HG23 ILE A 64 11.077 1.787 5.226 1.00 63.14 H new ATOM 0 HD11 ILE A 64 8.989 3.581 1.289 1.00 72.31 H new ATOM 0 HD12 ILE A 64 7.976 3.728 2.745 1.00 72.31 H new ATOM 0 HD13 ILE A 64 9.137 5.013 2.335 1.00 72.31 H new ATOM 1096 N LYS A 65 9.208 3.909 7.732 1.00 22.15 N ATOM 1097 CA LYS A 65 9.349 3.617 9.157 1.00 71.50 C ATOM 1098 C LYS A 65 8.079 2.982 9.726 1.00 1.41 C ATOM 1099 O LYS A 65 8.197 2.021 10.485 1.00 23.22 O ATOM 1100 CB LYS A 65 9.745 4.902 9.893 1.00 34.54 C ATOM 1101 CG LYS A 65 9.903 4.738 11.410 1.00 52.23 C ATOM 1102 CD LYS A 65 8.714 5.232 12.250 1.00 42.42 C ATOM 1103 CE LYS A 65 8.238 6.663 11.960 1.00 63.53 C ATOM 1104 NZ LYS A 65 9.302 7.692 12.071 1.00 20.55 N ATOM 0 H LYS A 65 9.369 4.887 7.492 1.00 22.15 H new ATOM 0 HA LYS A 65 10.139 2.880 9.302 1.00 71.50 H new ATOM 0 HB2 LYS A 65 10.684 5.269 9.479 1.00 34.54 H new ATOM 0 HB3 LYS A 65 8.991 5.665 9.698 1.00 34.54 H new ATOM 0 HG2 LYS A 65 10.069 3.683 11.630 1.00 52.23 H new ATOM 0 HG3 LYS A 65 10.798 5.274 11.726 1.00 52.23 H new ATOM 0 HD2 LYS A 65 7.876 4.552 12.094 1.00 42.42 H new ATOM 0 HD3 LYS A 65 8.986 5.166 13.304 1.00 42.42 H new ATOM 0 HE2 LYS A 65 7.818 6.698 10.955 1.00 63.53 H new ATOM 0 HE3 LYS A 65 7.433 6.913 12.651 1.00 63.53 H new ATOM 0 HZ1 LYS A 65 8.902 8.629 11.861 1.00 20.55 H new ATOM 0 HZ2 LYS A 65 9.689 7.689 13.036 1.00 20.55 H new ATOM 0 HZ3 LYS A 65 10.062 7.480 11.393 1.00 20.55 H new ATOM 1118 N ILE A 66 6.889 3.477 9.378 1.00 74.54 N ATOM 1119 CA ILE A 66 5.605 2.961 9.853 1.00 31.15 C ATOM 1120 C ILE A 66 5.409 1.531 9.336 1.00 0.11 C ATOM 1121 O ILE A 66 4.981 0.669 10.109 1.00 12.13 O ATOM 1122 CB ILE A 66 4.467 3.941 9.478 1.00 52.01 C ATOM 1123 CG1 ILE A 66 4.578 5.218 10.340 1.00 4.11 C ATOM 1124 CG2 ILE A 66 3.073 3.344 9.730 1.00 60.42 C ATOM 1125 CD1 ILE A 66 3.902 6.440 9.715 1.00 32.41 C ATOM 0 H ILE A 66 6.790 4.268 8.742 1.00 74.54 H new ATOM 0 HA ILE A 66 5.587 2.897 10.941 1.00 31.15 H new ATOM 0 HB ILE A 66 4.577 4.156 8.415 1.00 52.01 H new ATOM 0 HG12 ILE A 66 4.133 5.027 11.316 1.00 4.11 H new ATOM 0 HG13 ILE A 66 5.631 5.442 10.508 1.00 4.11 H new ATOM 0 HG21 ILE A 66 2.310 4.071 9.451 1.00 60.42 H new ATOM 0 HG22 ILE A 66 2.950 2.441 9.132 1.00 60.42 H new ATOM 0 HG23 ILE A 66 2.969 3.096 10.786 1.00 60.42 H new ATOM 0 HD11 ILE A 66 4.020 7.299 10.376 1.00 32.41 H new ATOM 0 HD12 ILE A 66 4.362 6.657 8.751 1.00 32.41 H new ATOM 0 HD13 ILE A 66 2.841 6.236 9.572 1.00 32.41 H new ATOM 1137 N ILE A 67 5.721 1.245 8.065 1.00 11.00 N ATOM 1138 CA ILE A 67 5.582 -0.115 7.539 1.00 24.41 C ATOM 1139 C ILE A 67 6.585 -0.992 8.315 1.00 71.51 C ATOM 1140 O ILE A 67 6.214 -2.082 8.750 1.00 74.42 O ATOM 1141 CB ILE A 67 5.768 -0.157 5.999 1.00 20.30 C ATOM 1142 CG1 ILE A 67 4.408 -0.052 5.267 1.00 63.04 C ATOM 1143 CG2 ILE A 67 6.433 -1.461 5.514 1.00 53.54 C ATOM 1144 CD1 ILE A 67 3.625 1.231 5.568 1.00 64.45 C ATOM 0 H ILE A 67 6.067 1.929 7.391 1.00 11.00 H new ATOM 0 HA ILE A 67 4.574 -0.502 7.690 1.00 24.41 H new ATOM 0 HB ILE A 67 6.410 0.693 5.767 1.00 20.30 H new ATOM 0 HG12 ILE A 67 4.582 -0.114 4.193 1.00 63.04 H new ATOM 0 HG13 ILE A 67 3.795 -0.910 5.541 1.00 63.04 H new ATOM 0 HG21 ILE A 67 6.538 -1.434 4.429 1.00 53.54 H new ATOM 0 HG22 ILE A 67 7.418 -1.559 5.971 1.00 53.54 H new ATOM 0 HG23 ILE A 67 5.814 -2.312 5.798 1.00 53.54 H new ATOM 0 HD11 ILE A 67 2.686 1.222 5.015 1.00 64.45 H new ATOM 0 HD12 ILE A 67 3.416 1.288 6.636 1.00 64.45 H new ATOM 0 HD13 ILE A 67 4.215 2.097 5.267 1.00 64.45 H new ATOM 1156 N ARG A 68 7.842 -0.557 8.536 1.00 43.01 N ATOM 1157 CA ARG A 68 8.779 -1.394 9.291 1.00 1.30 C ATOM 1158 C ARG A 68 8.261 -1.598 10.714 1.00 12.12 C ATOM 1159 O ARG A 68 8.463 -2.672 11.272 1.00 43.25 O ATOM 1160 CB ARG A 68 10.223 -0.855 9.303 1.00 53.11 C ATOM 1161 CG ARG A 68 10.914 -0.837 7.925 1.00 12.01 C ATOM 1162 CD ARG A 68 12.439 -1.093 7.994 1.00 72.54 C ATOM 1163 NE ARG A 68 12.792 -2.456 7.540 1.00 75.45 N ATOM 1164 CZ ARG A 68 13.899 -3.159 7.829 1.00 55.25 C ATOM 1165 NH1 ARG A 68 14.881 -2.654 8.561 1.00 35.34 N ATOM 1166 NH2 ARG A 68 14.047 -4.391 7.357 1.00 63.25 N ATOM 0 H ARG A 68 8.216 0.336 8.214 1.00 43.01 H new ATOM 0 HA ARG A 68 8.829 -2.353 8.775 1.00 1.30 H new ATOM 0 HB2 ARG A 68 10.215 0.159 9.704 1.00 53.11 H new ATOM 0 HB3 ARG A 68 10.818 -1.463 9.985 1.00 53.11 H new ATOM 0 HG2 ARG A 68 10.455 -1.593 7.288 1.00 12.01 H new ATOM 0 HG3 ARG A 68 10.737 0.129 7.452 1.00 12.01 H new ATOM 0 HD2 ARG A 68 12.958 -0.359 7.377 1.00 72.54 H new ATOM 0 HD3 ARG A 68 12.785 -0.951 9.018 1.00 72.54 H new ATOM 0 HE ARG A 68 12.113 -2.917 6.935 1.00 75.45 H new ATOM 0 HH11 ARG A 68 14.810 -1.703 8.924 1.00 35.34 H new ATOM 0 HH12 ARG A 68 15.708 -3.216 8.762 1.00 35.34 H new ATOM 0 HH21 ARG A 68 13.319 -4.805 6.774 1.00 63.25 H new ATOM 0 HH22 ARG A 68 14.888 -4.924 7.577 1.00 63.25 H new ATOM 1180 N ARG A 69 7.553 -0.613 11.284 1.00 24.51 N ATOM 1181 CA ARG A 69 6.998 -0.693 12.627 1.00 43.21 C ATOM 1182 C ARG A 69 6.037 -1.865 12.738 1.00 32.23 C ATOM 1183 O ARG A 69 6.267 -2.760 13.539 1.00 72.15 O ATOM 1184 CB ARG A 69 6.280 0.623 12.996 1.00 2.43 C ATOM 1185 CG ARG A 69 6.074 0.814 14.508 1.00 42.01 C ATOM 1186 CD ARG A 69 7.225 1.593 15.172 1.00 14.21 C ATOM 1187 NE ARG A 69 8.523 0.916 15.016 1.00 55.12 N ATOM 1188 CZ ARG A 69 8.894 -0.216 15.621 1.00 61.31 C ATOM 1189 NH1 ARG A 69 8.165 -0.742 16.598 1.00 4.10 N ATOM 1190 NH2 ARG A 69 9.998 -0.831 15.211 1.00 51.04 N ATOM 0 H ARG A 69 7.352 0.269 10.813 1.00 24.51 H new ATOM 0 HA ARG A 69 7.819 -0.849 13.327 1.00 43.21 H new ATOM 0 HB2 ARG A 69 6.858 1.462 12.608 1.00 2.43 H new ATOM 0 HB3 ARG A 69 5.310 0.648 12.500 1.00 2.43 H new ATOM 0 HG2 ARG A 69 5.137 1.344 14.679 1.00 42.01 H new ATOM 0 HG3 ARG A 69 5.980 -0.162 14.984 1.00 42.01 H new ATOM 0 HD2 ARG A 69 7.284 2.591 14.737 1.00 14.21 H new ATOM 0 HD3 ARG A 69 7.010 1.720 16.233 1.00 14.21 H new ATOM 0 HE ARG A 69 9.200 1.351 14.389 1.00 55.12 H new ATOM 0 HH11 ARG A 69 7.306 -0.281 16.898 1.00 4.10 H new ATOM 0 HH12 ARG A 69 8.464 -1.607 17.048 1.00 4.10 H new ATOM 0 HH21 ARG A 69 10.547 -0.438 14.446 1.00 51.04 H new ATOM 0 HH22 ARG A 69 10.297 -1.696 15.661 1.00 51.04 H new ATOM 1204 N ARG A 70 4.981 -1.894 11.926 1.00 14.32 N ATOM 1205 CA ARG A 70 4.007 -2.981 12.005 1.00 23.31 C ATOM 1206 C ARG A 70 4.578 -4.340 11.617 1.00 0.42 C ATOM 1207 O ARG A 70 4.149 -5.351 12.177 1.00 64.15 O ATOM 1208 CB ARG A 70 2.736 -2.673 11.206 1.00 54.22 C ATOM 1209 CG ARG A 70 2.976 -2.076 9.807 1.00 53.14 C ATOM 1210 CD ARG A 70 1.959 -2.503 8.739 1.00 61.11 C ATOM 1211 NE ARG A 70 0.610 -2.784 9.258 1.00 3.44 N ATOM 1212 CZ ARG A 70 -0.268 -1.908 9.775 1.00 24.12 C ATOM 1213 NH1 ARG A 70 0.083 -0.647 10.002 1.00 32.22 N ATOM 1214 NH2 ARG A 70 -1.507 -2.289 10.067 1.00 12.12 N ATOM 0 H ARG A 70 4.780 -1.189 11.217 1.00 14.32 H new ATOM 0 HA ARG A 70 3.738 -3.048 13.059 1.00 23.31 H new ATOM 0 HB2 ARG A 70 2.161 -3.593 11.098 1.00 54.22 H new ATOM 0 HB3 ARG A 70 2.123 -1.979 11.781 1.00 54.22 H new ATOM 0 HG2 ARG A 70 2.964 -0.989 9.885 1.00 53.14 H new ATOM 0 HG3 ARG A 70 3.974 -2.361 9.473 1.00 53.14 H new ATOM 0 HD2 ARG A 70 1.889 -1.717 7.987 1.00 61.11 H new ATOM 0 HD3 ARG A 70 2.333 -3.394 8.235 1.00 61.11 H new ATOM 0 HE ARG A 70 0.307 -3.757 9.221 1.00 3.44 H new ATOM 0 HH11 ARG A 70 1.029 -0.334 9.783 1.00 32.22 H new ATOM 0 HH12 ARG A 70 -0.593 0.008 10.395 1.00 32.22 H new ATOM 0 HH21 ARG A 70 -1.797 -3.252 9.899 1.00 12.12 H new ATOM 0 HH22 ARG A 70 -2.168 -1.618 10.459 1.00 12.12 H new ATOM 1228 N LEU A 71 5.514 -4.370 10.664 1.00 13.24 N ATOM 1229 CA LEU A 71 6.131 -5.609 10.208 1.00 43.25 C ATOM 1230 C LEU A 71 7.147 -6.164 11.208 1.00 12.20 C ATOM 1231 O LEU A 71 7.354 -7.373 11.204 1.00 41.11 O ATOM 1232 CB LEU A 71 6.837 -5.393 8.860 1.00 2.24 C ATOM 1233 CG LEU A 71 5.940 -5.257 7.619 1.00 23.24 C ATOM 1234 CD1 LEU A 71 6.853 -5.173 6.387 1.00 3.43 C ATOM 1235 CD2 LEU A 71 4.967 -6.431 7.489 1.00 72.54 C ATOM 0 H LEU A 71 5.861 -3.536 10.191 1.00 13.24 H new ATOM 0 HA LEU A 71 5.323 -6.334 10.105 1.00 43.25 H new ATOM 0 HB2 LEU A 71 7.448 -4.494 8.937 1.00 2.24 H new ATOM 0 HB3 LEU A 71 7.518 -6.228 8.696 1.00 2.24 H new ATOM 0 HG LEU A 71 5.331 -4.357 7.709 1.00 23.24 H new ATOM 0 HD11 LEU A 71 6.244 -5.076 5.489 1.00 3.43 H new ATOM 0 HD12 LEU A 71 7.507 -4.306 6.477 1.00 3.43 H new ATOM 0 HD13 LEU A 71 7.457 -6.078 6.319 1.00 3.43 H new ATOM 0 HD21 LEU A 71 4.351 -6.297 6.600 1.00 72.54 H new ATOM 0 HD22 LEU A 71 5.529 -7.361 7.404 1.00 72.54 H new ATOM 0 HD23 LEU A 71 4.327 -6.472 8.370 1.00 72.54 H new ATOM 1247 N GLN A 72 7.755 -5.321 12.054 1.00 24.32 N ATOM 1248 CA GLN A 72 8.762 -5.699 13.052 1.00 20.54 C ATOM 1249 C GLN A 72 9.770 -6.721 12.495 1.00 12.03 C ATOM 1250 O GLN A 72 9.889 -7.856 12.958 1.00 1.03 O ATOM 1251 CB GLN A 72 8.096 -6.117 14.370 1.00 60.24 C ATOM 1252 CG GLN A 72 8.030 -4.963 15.377 1.00 11.03 C ATOM 1253 CD GLN A 72 7.108 -5.277 16.548 1.00 12.34 C ATOM 1254 OE1 GLN A 72 7.514 -5.206 17.708 1.00 60.35 O ATOM 1255 NE2 GLN A 72 5.853 -5.609 16.293 1.00 20.33 N ATOM 0 H GLN A 72 7.551 -4.322 12.061 1.00 24.32 H new ATOM 0 HA GLN A 72 9.364 -4.822 13.289 1.00 20.54 H new ATOM 0 HB2 GLN A 72 7.088 -6.478 14.167 1.00 60.24 H new ATOM 0 HB3 GLN A 72 8.650 -6.948 14.808 1.00 60.24 H new ATOM 0 HG2 GLN A 72 9.032 -4.751 15.751 1.00 11.03 H new ATOM 0 HG3 GLN A 72 7.681 -4.062 14.873 1.00 11.03 H new ATOM 0 HE21 GLN A 72 5.526 -5.665 15.328 1.00 20.33 H new ATOM 0 HE22 GLN A 72 5.212 -5.809 17.061 1.00 20.33 H new ATOM 1264 N LEU A 73 10.493 -6.279 11.467 1.00 43.15 N ATOM 1265 CA LEU A 73 11.525 -7.041 10.770 1.00 0.11 C ATOM 1266 C LEU A 73 12.737 -7.234 11.680 1.00 21.41 C ATOM 1267 O LEU A 73 12.828 -6.630 12.757 1.00 51.12 O ATOM 1268 CB LEU A 73 12.036 -6.310 9.507 1.00 51.03 C ATOM 1269 CG LEU A 73 11.040 -5.903 8.417 1.00 13.42 C ATOM 1270 CD1 LEU A 73 10.126 -7.039 7.976 1.00 32.41 C ATOM 1271 CD2 LEU A 73 10.250 -4.651 8.804 1.00 55.25 C ATOM 0 H LEU A 73 10.370 -5.342 11.082 1.00 43.15 H new ATOM 0 HA LEU A 73 11.069 -7.991 10.490 1.00 0.11 H new ATOM 0 HB2 LEU A 73 12.547 -5.405 9.837 1.00 51.03 H new ATOM 0 HB3 LEU A 73 12.787 -6.948 9.042 1.00 51.03 H new ATOM 0 HG LEU A 73 11.643 -5.653 7.544 1.00 13.42 H new ATOM 0 HD11 LEU A 73 9.447 -6.680 7.203 1.00 32.41 H new ATOM 0 HD12 LEU A 73 10.728 -7.857 7.580 1.00 32.41 H new ATOM 0 HD13 LEU A 73 9.549 -7.394 8.830 1.00 32.41 H new ATOM 0 HD21 LEU A 73 9.555 -4.397 8.003 1.00 55.25 H new ATOM 0 HD22 LEU A 73 9.693 -4.842 9.721 1.00 55.25 H new ATOM 0 HD23 LEU A 73 10.939 -3.821 8.964 1.00 55.25 H new ATOM 1283 N ASN A 74 13.707 -8.008 11.186 1.00 73.53 N ATOM 1284 CA ASN A 74 14.973 -8.320 11.831 1.00 24.42 C ATOM 1285 C ASN A 74 15.734 -7.033 12.168 1.00 73.32 C ATOM 1286 O ASN A 74 15.411 -5.947 11.681 1.00 42.02 O ATOM 1287 CB ASN A 74 15.842 -9.160 10.870 1.00 55.24 C ATOM 1288 CG ASN A 74 16.476 -10.369 11.517 1.00 60.14 C ATOM 1289 OD1 ASN A 74 16.649 -10.420 12.728 1.00 52.03 O ATOM 1290 ND2 ASN A 74 16.873 -11.348 10.723 1.00 61.45 N ATOM 0 H ASN A 74 13.619 -8.456 10.274 1.00 73.53 H new ATOM 0 HA ASN A 74 14.768 -8.873 12.748 1.00 24.42 H new ATOM 0 HB2 ASN A 74 15.226 -9.489 10.033 1.00 55.24 H new ATOM 0 HB3 ASN A 74 16.628 -8.526 10.458 1.00 55.24 H new ATOM 0 HD21 ASN A 74 17.334 -12.168 11.116 1.00 61.45 H new ATOM 0 HD22 ASN A 74 16.718 -11.283 9.717 1.00 61.45 H new ATOM 1297 N ALA A 75 16.773 -7.144 12.987 1.00 3.11 N ATOM 1298 CA ALA A 75 17.597 -6.004 13.392 1.00 24.23 C ATOM 1299 C ALA A 75 18.840 -5.913 12.516 1.00 3.24 C ATOM 1300 O ALA A 75 19.430 -4.846 12.355 1.00 41.15 O ATOM 1301 CB ALA A 75 18.002 -6.166 14.856 1.00 60.33 C ATOM 0 H ALA A 75 17.072 -8.031 13.393 1.00 3.11 H new ATOM 0 HA ALA A 75 17.021 -5.086 13.273 1.00 24.23 H new ATOM 0 HB1 ALA A 75 18.616 -5.318 15.160 1.00 60.33 H new ATOM 0 HB2 ALA A 75 17.108 -6.208 15.478 1.00 60.33 H new ATOM 0 HB3 ALA A 75 18.572 -7.088 14.976 1.00 60.33 H new ATOM 1307 N ASN A 76 19.222 -7.041 11.926 1.00 40.32 N ATOM 1308 CA ASN A 76 20.380 -7.179 11.061 1.00 20.10 C ATOM 1309 C ASN A 76 20.022 -7.054 9.584 1.00 71.35 C ATOM 1310 O ASN A 76 20.961 -6.925 8.794 1.00 53.14 O ATOM 1311 CB ASN A 76 21.056 -8.533 11.328 1.00 61.25 C ATOM 1312 CG ASN A 76 20.056 -9.654 11.128 1.00 51.33 C ATOM 1313 OD1 ASN A 76 19.468 -10.137 12.200 1.00 61.23 O flip ATOM 1314 ND2 ASN A 76 19.707 -10.002 10.009 1.00 52.22 N flip ATOM 0 H ASN A 76 18.711 -7.916 12.044 1.00 40.32 H new ATOM 0 HA ASN A 76 21.066 -6.364 11.292 1.00 20.10 H new ATOM 0 HB2 ASN A 76 21.904 -8.665 10.656 1.00 61.25 H new ATOM 0 HB3 ASN A 76 21.448 -8.560 12.345 1.00 61.25 H new ATOM 0 HD21 ASN A 76 20.173 -9.618 9.187 1.00 52.22 H new ATOM 0 HD22 ASN A 76 18.950 -10.676 9.898 1.00 52.22 H new ATOM 1321 N GLN A 77 18.734 -7.057 9.201 1.00 54.12 N ATOM 1322 CA GLN A 77 18.366 -6.954 7.781 1.00 42.45 C ATOM 1323 C GLN A 77 17.587 -5.686 7.432 1.00 40.21 C ATOM 1324 O GLN A 77 16.790 -5.167 8.224 1.00 41.35 O ATOM 1325 CB GLN A 77 17.673 -8.230 7.275 1.00 22.20 C ATOM 1326 CG GLN A 77 16.141 -8.214 7.369 1.00 12.22 C ATOM 1327 CD GLN A 77 15.559 -9.528 6.860 1.00 55.42 C ATOM 1328 OE1 GLN A 77 14.978 -10.298 7.617 1.00 71.32 O ATOM 1329 NE2 GLN A 77 15.710 -9.799 5.573 1.00 24.50 N ATOM 0 H GLN A 77 17.944 -7.128 9.842 1.00 54.12 H new ATOM 0 HA GLN A 77 19.307 -6.861 7.240 1.00 42.45 H new ATOM 0 HB2 GLN A 77 17.957 -8.392 6.235 1.00 22.20 H new ATOM 0 HB3 GLN A 77 18.049 -9.080 7.844 1.00 22.20 H new ATOM 0 HG2 GLN A 77 15.836 -8.051 8.403 1.00 12.22 H new ATOM 0 HG3 GLN A 77 15.744 -7.384 6.785 1.00 12.22 H new ATOM 0 HE21 GLN A 77 16.198 -9.140 4.967 1.00 24.50 H new ATOM 0 HE22 GLN A 77 15.338 -10.667 5.188 1.00 24.50 H new ATOM 1338 N ALA A 78 17.773 -5.234 6.194 1.00 11.44 N ATOM 1339 CA ALA A 78 17.160 -4.047 5.624 1.00 53.13 C ATOM 1340 C ALA A 78 16.284 -4.393 4.419 1.00 43.25 C ATOM 1341 O ALA A 78 16.161 -5.559 4.032 1.00 42.23 O ATOM 1342 CB ALA A 78 18.275 -3.067 5.241 1.00 32.31 C ATOM 0 H ALA A 78 18.386 -5.712 5.533 1.00 11.44 H new ATOM 0 HA ALA A 78 16.502 -3.586 6.360 1.00 53.13 H new ATOM 0 HB1 ALA A 78 17.836 -2.167 4.810 1.00 32.31 H new ATOM 0 HB2 ALA A 78 18.848 -2.802 6.130 1.00 32.31 H new ATOM 0 HB3 ALA A 78 18.935 -3.534 4.510 1.00 32.31 H new ATOM 1348 N PHE A 79 15.605 -3.386 3.870 1.00 4.01 N ATOM 1349 CA PHE A 79 14.749 -3.521 2.702 1.00 41.25 C ATOM 1350 C PHE A 79 14.666 -2.196 1.952 1.00 53.44 C ATOM 1351 O PHE A 79 15.129 -1.167 2.451 1.00 1.52 O ATOM 1352 CB PHE A 79 13.343 -4.008 3.081 1.00 73.31 C ATOM 1353 CG PHE A 79 12.325 -2.936 3.433 1.00 2.30 C ATOM 1354 CD1 PHE A 79 12.651 -1.882 4.307 1.00 73.31 C ATOM 1355 CD2 PHE A 79 11.030 -2.999 2.884 1.00 60.11 C ATOM 1356 CE1 PHE A 79 11.697 -0.904 4.617 1.00 44.41 C ATOM 1357 CE2 PHE A 79 10.063 -2.036 3.224 1.00 41.43 C ATOM 1358 CZ PHE A 79 10.397 -0.983 4.093 1.00 33.31 C ATOM 0 H PHE A 79 15.639 -2.435 4.236 1.00 4.01 H new ATOM 0 HA PHE A 79 15.194 -4.273 2.051 1.00 41.25 H new ATOM 0 HB2 PHE A 79 12.949 -4.592 2.250 1.00 73.31 H new ATOM 0 HB3 PHE A 79 13.434 -4.684 3.931 1.00 73.31 H new ATOM 0 HD1 PHE A 79 13.639 -1.827 4.740 1.00 73.31 H new ATOM 0 HD2 PHE A 79 10.777 -3.793 2.197 1.00 60.11 H new ATOM 0 HE1 PHE A 79 11.964 -0.082 5.265 1.00 44.41 H new ATOM 0 HE2 PHE A 79 9.065 -2.106 2.818 1.00 41.43 H new ATOM 0 HZ PHE A 79 9.659 -0.240 4.356 1.00 33.31 H new ATOM 1368 N PHE A 80 14.008 -2.238 0.799 1.00 34.43 N ATOM 1369 CA PHE A 80 13.771 -1.132 -0.100 1.00 23.42 C ATOM 1370 C PHE A 80 12.323 -1.218 -0.580 1.00 11.33 C ATOM 1371 O PHE A 80 11.623 -2.218 -0.370 1.00 75.01 O ATOM 1372 CB PHE A 80 14.755 -1.216 -1.278 1.00 12.53 C ATOM 1373 CG PHE A 80 16.200 -1.354 -0.840 1.00 20.21 C ATOM 1374 CD1 PHE A 80 16.950 -0.217 -0.493 1.00 63.41 C ATOM 1375 CD2 PHE A 80 16.764 -2.635 -0.693 1.00 1.10 C ATOM 1376 CE1 PHE A 80 18.255 -0.368 0.005 1.00 33.05 C ATOM 1377 CE2 PHE A 80 18.074 -2.787 -0.212 1.00 24.34 C ATOM 1378 CZ PHE A 80 18.816 -1.650 0.145 1.00 22.00 C ATOM 0 H PHE A 80 13.602 -3.107 0.451 1.00 34.43 H new ATOM 0 HA PHE A 80 13.928 -0.176 0.400 1.00 23.42 H new ATOM 0 HB2 PHE A 80 14.489 -2.067 -1.905 1.00 12.53 H new ATOM 0 HB3 PHE A 80 14.652 -0.322 -1.893 1.00 12.53 H new ATOM 0 HD1 PHE A 80 16.525 0.769 -0.609 1.00 63.41 H new ATOM 0 HD2 PHE A 80 16.184 -3.508 -0.952 1.00 1.10 H new ATOM 0 HE1 PHE A 80 18.830 0.504 0.281 1.00 33.05 H new ATOM 0 HE2 PHE A 80 18.508 -3.771 -0.117 1.00 24.34 H new ATOM 0 HZ PHE A 80 19.820 -1.760 0.528 1.00 22.00 H new ATOM 1388 N LEU A 81 11.861 -0.138 -1.201 1.00 75.34 N ATOM 1389 CA LEU A 81 10.528 0.001 -1.757 1.00 15.13 C ATOM 1390 C LEU A 81 10.724 0.553 -3.153 1.00 63.42 C ATOM 1391 O LEU A 81 11.532 1.461 -3.354 1.00 13.11 O ATOM 1392 CB LEU A 81 9.651 0.900 -0.875 1.00 12.13 C ATOM 1393 CG LEU A 81 8.264 1.169 -1.505 1.00 42.42 C ATOM 1394 CD1 LEU A 81 7.210 1.268 -0.402 1.00 52.12 C ATOM 1395 CD2 LEU A 81 8.238 2.467 -2.324 1.00 23.02 C ATOM 0 H LEU A 81 12.432 0.697 -1.334 1.00 75.34 H new ATOM 0 HA LEU A 81 9.997 -0.950 -1.797 1.00 15.13 H new ATOM 0 HB2 LEU A 81 9.520 0.431 0.100 1.00 12.13 H new ATOM 0 HB3 LEU A 81 10.161 1.848 -0.707 1.00 12.13 H new ATOM 0 HG LEU A 81 8.049 0.338 -2.177 1.00 42.42 H new ATOM 0 HD11 LEU A 81 6.234 1.458 -0.848 1.00 52.12 H new ATOM 0 HD12 LEU A 81 7.179 0.332 0.156 1.00 52.12 H new ATOM 0 HD13 LEU A 81 7.465 2.085 0.273 1.00 52.12 H new ATOM 0 HD21 LEU A 81 7.243 2.611 -2.746 1.00 23.02 H new ATOM 0 HD22 LEU A 81 8.484 3.310 -1.678 1.00 23.02 H new ATOM 0 HD23 LEU A 81 8.968 2.403 -3.131 1.00 23.02 H new ATOM 1407 N LEU A 82 9.970 0.007 -4.095 1.00 71.04 N ATOM 1408 CA LEU A 82 9.997 0.361 -5.497 1.00 61.01 C ATOM 1409 C LEU A 82 8.565 0.700 -5.915 1.00 15.20 C ATOM 1410 O LEU A 82 7.625 0.013 -5.515 1.00 31.42 O ATOM 1411 CB LEU A 82 10.591 -0.815 -6.294 1.00 13.22 C ATOM 1412 CG LEU A 82 11.932 -1.391 -5.770 1.00 35.32 C ATOM 1413 CD1 LEU A 82 11.734 -2.538 -4.763 1.00 73.13 C ATOM 1414 CD2 LEU A 82 12.775 -1.889 -6.947 1.00 73.35 C ATOM 0 H LEU A 82 9.294 -0.728 -3.888 1.00 71.04 H new ATOM 0 HA LEU A 82 10.625 1.230 -5.694 1.00 61.01 H new ATOM 0 HB2 LEU A 82 9.857 -1.621 -6.314 1.00 13.22 H new ATOM 0 HB3 LEU A 82 10.737 -0.491 -7.325 1.00 13.22 H new ATOM 0 HG LEU A 82 12.444 -0.583 -5.247 1.00 35.32 H new ATOM 0 HD11 LEU A 82 12.706 -2.902 -4.430 1.00 73.13 H new ATOM 0 HD12 LEU A 82 11.169 -2.175 -3.904 1.00 73.13 H new ATOM 0 HD13 LEU A 82 11.186 -3.351 -5.240 1.00 73.13 H new ATOM 0 HD21 LEU A 82 13.717 -2.293 -6.575 1.00 73.35 H new ATOM 0 HD22 LEU A 82 12.231 -2.669 -7.480 1.00 73.35 H new ATOM 0 HD23 LEU A 82 12.979 -1.060 -7.625 1.00 73.35 H new ATOM 1426 N VAL A 83 8.360 1.767 -6.681 1.00 63.23 N ATOM 1427 CA VAL A 83 7.043 2.204 -7.143 1.00 44.31 C ATOM 1428 C VAL A 83 6.861 1.592 -8.524 1.00 63.31 C ATOM 1429 O VAL A 83 7.749 1.710 -9.367 1.00 72.02 O ATOM 1430 CB VAL A 83 6.945 3.739 -7.146 1.00 51.22 C ATOM 1431 CG1 VAL A 83 5.467 4.142 -7.225 1.00 15.33 C ATOM 1432 CG2 VAL A 83 7.543 4.358 -5.871 1.00 12.31 C ATOM 0 H VAL A 83 9.119 2.366 -7.006 1.00 63.23 H new ATOM 0 HA VAL A 83 6.243 1.873 -6.481 1.00 44.31 H new ATOM 0 HB VAL A 83 7.508 4.106 -8.004 1.00 51.22 H new ATOM 0 HG11 VAL A 83 5.386 5.229 -7.228 1.00 15.33 H new ATOM 0 HG12 VAL A 83 5.030 3.743 -8.140 1.00 15.33 H new ATOM 0 HG13 VAL A 83 4.934 3.741 -6.363 1.00 15.33 H new ATOM 0 HG21 VAL A 83 7.452 5.443 -5.916 1.00 12.31 H new ATOM 0 HG22 VAL A 83 7.006 3.985 -4.999 1.00 12.31 H new ATOM 0 HG23 VAL A 83 8.595 4.085 -5.793 1.00 12.31 H new ATOM 1442 N ASN A 84 5.755 0.881 -8.756 1.00 62.15 N ATOM 1443 CA ASN A 84 5.472 0.188 -10.019 1.00 53.33 C ATOM 1444 C ASN A 84 6.604 -0.813 -10.335 1.00 60.14 C ATOM 1445 O ASN A 84 6.756 -1.252 -11.474 1.00 42.42 O ATOM 1446 CB ASN A 84 5.219 1.151 -11.196 1.00 71.24 C ATOM 1447 CG ASN A 84 4.106 2.168 -10.968 1.00 4.40 C ATOM 1448 OD1 ASN A 84 2.944 1.802 -10.815 1.00 40.34 O ATOM 1449 ND2 ASN A 84 4.417 3.454 -10.952 1.00 3.21 N ATOM 0 H ASN A 84 5.017 0.768 -8.061 1.00 62.15 H new ATOM 0 HA ASN A 84 4.539 -0.361 -9.887 1.00 53.33 H new ATOM 0 HB2 ASN A 84 6.143 1.688 -11.412 1.00 71.24 H new ATOM 0 HB3 ASN A 84 4.978 0.563 -12.082 1.00 71.24 H new ATOM 0 HD21 ASN A 84 3.688 4.153 -10.811 1.00 3.21 H new ATOM 0 HD22 ASN A 84 5.386 3.746 -11.080 1.00 3.21 H new ATOM 1456 N GLY A 85 7.423 -1.186 -9.340 1.00 4.11 N ATOM 1457 CA GLY A 85 8.550 -2.101 -9.470 1.00 43.52 C ATOM 1458 C GLY A 85 9.888 -1.398 -9.740 1.00 64.04 C ATOM 1459 O GLY A 85 10.869 -2.095 -9.988 1.00 11.24 O ATOM 0 H GLY A 85 7.307 -0.840 -8.387 1.00 4.11 H new ATOM 0 HA2 GLY A 85 8.637 -2.689 -8.556 1.00 43.52 H new ATOM 0 HA3 GLY A 85 8.347 -2.800 -10.281 1.00 43.52 H new ATOM 1463 N HIS A 86 9.961 -0.062 -9.663 1.00 12.30 N ATOM 1464 CA HIS A 86 11.163 0.738 -9.904 1.00 60.22 C ATOM 1465 C HIS A 86 11.307 1.800 -8.807 1.00 15.11 C ATOM 1466 O HIS A 86 10.348 2.513 -8.520 1.00 4.25 O ATOM 1467 CB HIS A 86 11.023 1.419 -11.272 1.00 52.22 C ATOM 1468 CG HIS A 86 10.622 0.478 -12.381 1.00 62.03 C ATOM 1469 ND1 HIS A 86 11.468 -0.352 -13.078 1.00 3.13 N ATOM 1470 CD2 HIS A 86 9.340 0.211 -12.787 1.00 13.32 C ATOM 1471 CE1 HIS A 86 10.706 -1.111 -13.883 1.00 2.53 C ATOM 1472 NE2 HIS A 86 9.404 -0.808 -13.747 1.00 4.11 N ATOM 0 H HIS A 86 9.152 0.510 -9.422 1.00 12.30 H new ATOM 0 HA HIS A 86 12.047 0.101 -9.892 1.00 60.22 H new ATOM 0 HB2 HIS A 86 10.282 2.215 -11.197 1.00 52.22 H new ATOM 0 HB3 HIS A 86 11.971 1.890 -11.532 1.00 52.22 H new ATOM 0 HD2 HIS A 86 8.444 0.698 -12.432 1.00 13.32 H new ATOM 0 HE1 HIS A 86 11.090 -1.867 -14.552 1.00 2.53 H new ATOM 0 HE2 HIS A 86 8.621 -1.234 -14.242 1.00 4.11 H new ATOM 1480 N SER A 87 12.451 1.893 -8.131 1.00 13.45 N ATOM 1481 CA SER A 87 12.662 2.886 -7.085 1.00 62.41 C ATOM 1482 C SER A 87 13.276 4.128 -7.721 1.00 1.51 C ATOM 1483 O SER A 87 14.469 4.148 -8.043 1.00 53.24 O ATOM 1484 CB SER A 87 13.524 2.342 -5.937 1.00 4.34 C ATOM 1485 OG SER A 87 13.201 3.052 -4.757 1.00 20.12 O ATOM 0 H SER A 87 13.253 1.284 -8.294 1.00 13.45 H new ATOM 0 HA SER A 87 11.704 3.144 -6.633 1.00 62.41 H new ATOM 0 HB2 SER A 87 13.342 1.276 -5.799 1.00 4.34 H new ATOM 0 HB3 SER A 87 14.582 2.457 -6.171 1.00 4.34 H new ATOM 0 HG SER A 87 12.591 2.515 -4.209 1.00 20.12 H new ATOM 1491 N MET A 88 12.450 5.153 -7.926 1.00 55.33 N ATOM 1492 CA MET A 88 12.825 6.443 -8.496 1.00 44.52 C ATOM 1493 C MET A 88 12.450 7.572 -7.527 1.00 34.02 C ATOM 1494 O MET A 88 12.625 8.745 -7.850 1.00 54.53 O ATOM 1495 CB MET A 88 12.112 6.693 -9.839 1.00 12.12 C ATOM 1496 CG MET A 88 11.667 5.462 -10.630 1.00 23.13 C ATOM 1497 SD MET A 88 10.887 5.932 -12.196 1.00 51.40 S ATOM 1498 CE MET A 88 10.978 4.381 -13.116 1.00 71.31 C ATOM 0 H MET A 88 11.459 5.103 -7.689 1.00 55.33 H new ATOM 0 HA MET A 88 13.902 6.427 -8.664 1.00 44.52 H new ATOM 0 HB2 MET A 88 11.233 7.307 -9.646 1.00 12.12 H new ATOM 0 HB3 MET A 88 12.778 7.279 -10.472 1.00 12.12 H new ATOM 0 HG2 MET A 88 12.528 4.823 -10.827 1.00 23.13 H new ATOM 0 HG3 MET A 88 10.967 4.877 -10.033 1.00 23.13 H new ATOM 0 HE1 MET A 88 11.019 4.594 -14.184 1.00 71.31 H new ATOM 0 HE2 MET A 88 11.873 3.834 -12.820 1.00 71.31 H new ATOM 0 HE3 MET A 88 10.096 3.778 -12.900 1.00 71.31 H new ATOM 1508 N VAL A 89 11.900 7.228 -6.362 1.00 14.52 N ATOM 1509 CA VAL A 89 11.431 8.123 -5.322 1.00 33.11 C ATOM 1510 C VAL A 89 12.472 8.338 -4.222 1.00 22.21 C ATOM 1511 O VAL A 89 13.124 7.387 -3.780 1.00 23.03 O ATOM 1512 CB VAL A 89 10.105 7.524 -4.808 1.00 4.14 C ATOM 1513 CG1 VAL A 89 10.215 6.091 -4.249 1.00 71.40 C ATOM 1514 CG2 VAL A 89 9.490 8.427 -3.740 1.00 74.22 C ATOM 0 H VAL A 89 11.765 6.249 -6.110 1.00 14.52 H new ATOM 0 HA VAL A 89 11.263 9.127 -5.711 1.00 33.11 H new ATOM 0 HB VAL A 89 9.466 7.464 -5.689 1.00 4.14 H new ATOM 0 HG11 VAL A 89 9.234 5.755 -3.912 1.00 71.40 H new ATOM 0 HG12 VAL A 89 10.579 5.423 -5.030 1.00 71.40 H new ATOM 0 HG13 VAL A 89 10.910 6.080 -3.409 1.00 71.40 H new ATOM 0 HG21 VAL A 89 8.555 7.990 -3.388 1.00 74.22 H new ATOM 0 HG22 VAL A 89 10.182 8.525 -2.904 1.00 74.22 H new ATOM 0 HG23 VAL A 89 9.293 9.411 -4.165 1.00 74.22 H new ATOM 1524 N SER A 90 12.616 9.584 -3.759 1.00 44.50 N ATOM 1525 CA SER A 90 13.565 9.924 -2.704 1.00 60.11 C ATOM 1526 C SER A 90 12.922 9.716 -1.323 1.00 41.22 C ATOM 1527 O SER A 90 11.705 9.819 -1.160 1.00 14.52 O ATOM 1528 CB SER A 90 14.123 11.337 -2.906 1.00 41.40 C ATOM 1529 OG SER A 90 14.268 11.670 -4.279 1.00 63.10 O ATOM 0 H SER A 90 12.079 10.379 -4.106 1.00 44.50 H new ATOM 0 HA SER A 90 14.421 9.251 -2.757 1.00 60.11 H new ATOM 0 HB2 SER A 90 13.460 12.058 -2.428 1.00 41.40 H new ATOM 0 HB3 SER A 90 15.091 11.417 -2.411 1.00 41.40 H new ATOM 0 HG SER A 90 14.625 12.579 -4.359 1.00 63.10 H new ATOM 1535 N VAL A 91 13.743 9.448 -0.307 1.00 15.32 N ATOM 1536 CA VAL A 91 13.295 9.191 1.061 1.00 44.13 C ATOM 1537 C VAL A 91 12.749 10.445 1.772 1.00 62.43 C ATOM 1538 O VAL A 91 11.939 10.308 2.689 1.00 21.25 O ATOM 1539 CB VAL A 91 14.429 8.469 1.829 1.00 43.10 C ATOM 1540 CG1 VAL A 91 14.007 8.029 3.240 1.00 32.12 C ATOM 1541 CG2 VAL A 91 14.878 7.200 1.074 1.00 21.32 C ATOM 0 H VAL A 91 14.756 9.403 -0.414 1.00 15.32 H new ATOM 0 HA VAL A 91 12.429 8.530 1.033 1.00 44.13 H new ATOM 0 HB VAL A 91 15.239 9.195 1.905 1.00 43.10 H new ATOM 0 HG11 VAL A 91 14.842 7.529 3.730 1.00 32.12 H new ATOM 0 HG12 VAL A 91 13.716 8.903 3.822 1.00 32.12 H new ATOM 0 HG13 VAL A 91 13.163 7.342 3.170 1.00 32.12 H new ATOM 0 HG21 VAL A 91 15.675 6.708 1.631 1.00 21.32 H new ATOM 0 HG22 VAL A 91 14.033 6.519 0.972 1.00 21.32 H new ATOM 0 HG23 VAL A 91 15.243 7.475 0.085 1.00 21.32 H new ATOM 1551 N SER A 92 13.076 11.661 1.333 1.00 32.44 N ATOM 1552 CA SER A 92 12.594 12.885 1.972 1.00 11.23 C ATOM 1553 C SER A 92 11.593 13.649 1.087 1.00 21.45 C ATOM 1554 O SER A 92 11.587 14.884 1.099 1.00 25.02 O ATOM 1555 CB SER A 92 13.795 13.724 2.414 1.00 42.30 C ATOM 1556 OG SER A 92 14.693 12.995 3.235 1.00 51.10 O ATOM 0 H SER A 92 13.680 11.824 0.528 1.00 32.44 H new ATOM 0 HA SER A 92 12.022 12.629 2.864 1.00 11.23 H new ATOM 0 HB2 SER A 92 14.325 14.086 1.533 1.00 42.30 H new ATOM 0 HB3 SER A 92 13.442 14.601 2.956 1.00 42.30 H new ATOM 0 HG SER A 92 15.444 13.571 3.490 1.00 51.10 H new ATOM 1562 N THR A 93 10.778 12.933 0.307 1.00 13.53 N ATOM 1563 CA THR A 93 9.758 13.484 -0.589 1.00 42.52 C ATOM 1564 C THR A 93 8.351 13.207 -0.019 1.00 50.21 C ATOM 1565 O THR A 93 8.139 12.108 0.511 1.00 40.21 O ATOM 1566 CB THR A 93 9.947 12.846 -1.980 1.00 34.25 C ATOM 1567 OG1 THR A 93 11.282 13.018 -2.412 1.00 41.23 O ATOM 1568 CG2 THR A 93 9.053 13.454 -3.058 1.00 14.11 C ATOM 0 H THR A 93 10.812 11.914 0.282 1.00 13.53 H new ATOM 0 HA THR A 93 9.862 14.565 -0.677 1.00 42.52 H new ATOM 0 HB THR A 93 9.681 11.796 -1.857 1.00 34.25 H new ATOM 0 HG1 THR A 93 11.395 12.609 -3.295 1.00 41.23 H new ATOM 0 HG21 THR A 93 9.240 12.956 -4.009 1.00 14.11 H new ATOM 0 HG22 THR A 93 8.007 13.323 -2.780 1.00 14.11 H new ATOM 0 HG23 THR A 93 9.272 14.517 -3.156 1.00 14.11 H new ATOM 1576 N PRO A 94 7.386 14.147 -0.116 1.00 54.40 N ATOM 1577 CA PRO A 94 6.028 13.944 0.376 1.00 33.43 C ATOM 1578 C PRO A 94 5.252 12.970 -0.523 1.00 70.44 C ATOM 1579 O PRO A 94 5.358 12.989 -1.761 1.00 61.40 O ATOM 1580 CB PRO A 94 5.365 15.320 0.387 1.00 53.33 C ATOM 1581 CG PRO A 94 6.113 16.094 -0.697 1.00 50.51 C ATOM 1582 CD PRO A 94 7.513 15.483 -0.692 1.00 65.34 C ATOM 0 HA PRO A 94 6.037 13.502 1.372 1.00 33.43 H new ATOM 0 HB2 PRO A 94 4.300 15.252 0.167 1.00 53.33 H new ATOM 0 HB3 PRO A 94 5.460 15.802 1.360 1.00 53.33 H new ATOM 0 HG2 PRO A 94 5.633 15.983 -1.669 1.00 50.51 H new ATOM 0 HG3 PRO A 94 6.143 17.161 -0.476 1.00 50.51 H new ATOM 0 HD2 PRO A 94 7.916 15.432 -1.703 1.00 65.34 H new ATOM 0 HD3 PRO A 94 8.200 16.094 -0.106 1.00 65.34 H new ATOM 1590 N ILE A 95 4.412 12.145 0.097 1.00 3.43 N ATOM 1591 CA ILE A 95 3.623 11.167 -0.639 1.00 2.14 C ATOM 1592 C ILE A 95 2.629 11.832 -1.601 1.00 42.12 C ATOM 1593 O ILE A 95 2.209 11.178 -2.551 1.00 45.20 O ATOM 1594 CB ILE A 95 2.952 10.173 0.331 1.00 75.01 C ATOM 1595 CG1 ILE A 95 2.355 8.918 -0.351 1.00 3.15 C ATOM 1596 CG2 ILE A 95 1.855 10.855 1.161 1.00 53.31 C ATOM 1597 CD1 ILE A 95 3.322 8.129 -1.239 1.00 13.44 C ATOM 0 H ILE A 95 4.262 12.136 1.106 1.00 3.43 H new ATOM 0 HA ILE A 95 4.298 10.592 -1.273 1.00 2.14 H new ATOM 0 HB ILE A 95 3.763 9.834 0.976 1.00 75.01 H new ATOM 0 HG12 ILE A 95 1.974 8.252 0.423 1.00 3.15 H new ATOM 0 HG13 ILE A 95 1.502 9.225 -0.956 1.00 3.15 H new ATOM 0 HG21 ILE A 95 1.402 10.127 1.834 1.00 53.31 H new ATOM 0 HG22 ILE A 95 2.291 11.666 1.744 1.00 53.31 H new ATOM 0 HG23 ILE A 95 1.092 11.257 0.495 1.00 53.31 H new ATOM 0 HD11 ILE A 95 2.804 7.271 -1.668 1.00 13.44 H new ATOM 0 HD12 ILE A 95 3.686 8.771 -2.041 1.00 13.44 H new ATOM 0 HD13 ILE A 95 4.165 7.783 -0.641 1.00 13.44 H new ATOM 1609 N SER A 96 2.240 13.096 -1.378 1.00 21.15 N ATOM 1610 CA SER A 96 1.294 13.767 -2.261 1.00 3.31 C ATOM 1611 C SER A 96 1.896 13.877 -3.667 1.00 4.35 C ATOM 1612 O SER A 96 1.250 13.482 -4.645 1.00 11.11 O ATOM 1613 CB SER A 96 0.855 15.112 -1.667 1.00 14.52 C ATOM 1614 OG SER A 96 -0.540 15.291 -1.845 1.00 62.04 O ATOM 0 H SER A 96 2.567 13.665 -0.597 1.00 21.15 H new ATOM 0 HA SER A 96 0.382 13.178 -2.353 1.00 3.31 H new ATOM 0 HB2 SER A 96 1.102 15.148 -0.606 1.00 14.52 H new ATOM 0 HB3 SER A 96 1.398 15.925 -2.148 1.00 14.52 H new ATOM 0 HG SER A 96 -0.921 15.708 -1.044 1.00 62.04 H new ATOM 1620 N GLU A 97 3.131 14.387 -3.778 1.00 45.31 N ATOM 1621 CA GLU A 97 3.749 14.495 -5.089 1.00 64.11 C ATOM 1622 C GLU A 97 4.103 13.105 -5.595 1.00 32.04 C ATOM 1623 O GLU A 97 3.895 12.851 -6.773 1.00 22.01 O ATOM 1624 CB GLU A 97 4.930 15.465 -5.143 1.00 21.32 C ATOM 1625 CG GLU A 97 6.244 14.954 -4.551 1.00 11.41 C ATOM 1626 CD GLU A 97 7.316 16.025 -4.695 1.00 1.12 C ATOM 1627 OE1 GLU A 97 7.237 17.030 -3.949 1.00 33.22 O ATOM 1628 OE2 GLU A 97 8.196 15.860 -5.573 1.00 32.43 O ATOM 0 H GLU A 97 3.699 14.719 -2.998 1.00 45.31 H new ATOM 0 HA GLU A 97 3.018 14.941 -5.763 1.00 64.11 H new ATOM 0 HB2 GLU A 97 5.105 15.736 -6.184 1.00 21.32 H new ATOM 0 HB3 GLU A 97 4.649 16.378 -4.619 1.00 21.32 H new ATOM 0 HG2 GLU A 97 6.107 14.700 -3.500 1.00 11.41 H new ATOM 0 HG3 GLU A 97 6.555 14.042 -5.061 1.00 11.41 H new ATOM 1635 N VAL A 98 4.582 12.192 -4.726 1.00 10.45 N ATOM 1636 CA VAL A 98 4.910 10.840 -5.200 1.00 4.33 C ATOM 1637 C VAL A 98 3.662 10.206 -5.834 1.00 54.54 C ATOM 1638 O VAL A 98 3.770 9.530 -6.860 1.00 1.35 O ATOM 1639 CB VAL A 98 5.504 10.002 -4.053 1.00 44.14 C ATOM 1640 CG1 VAL A 98 5.732 8.526 -4.421 1.00 13.45 C ATOM 1641 CG2 VAL A 98 6.843 10.601 -3.604 1.00 30.23 C ATOM 0 H VAL A 98 4.744 12.358 -3.733 1.00 10.45 H new ATOM 0 HA VAL A 98 5.677 10.884 -5.973 1.00 4.33 H new ATOM 0 HB VAL A 98 4.767 10.031 -3.251 1.00 44.14 H new ATOM 0 HG11 VAL A 98 6.152 7.998 -3.565 1.00 13.45 H new ATOM 0 HG12 VAL A 98 4.782 8.069 -4.698 1.00 13.45 H new ATOM 0 HG13 VAL A 98 6.424 8.463 -5.261 1.00 13.45 H new ATOM 0 HG21 VAL A 98 7.256 10.002 -2.792 1.00 30.23 H new ATOM 0 HG22 VAL A 98 7.539 10.605 -4.443 1.00 30.23 H new ATOM 0 HG23 VAL A 98 6.687 11.623 -3.257 1.00 30.23 H new ATOM 1651 N TYR A 99 2.480 10.443 -5.262 1.00 10.33 N ATOM 1652 CA TYR A 99 1.225 9.930 -5.769 1.00 12.31 C ATOM 1653 C TYR A 99 0.989 10.472 -7.161 1.00 42.40 C ATOM 1654 O TYR A 99 0.905 9.692 -8.108 1.00 1.24 O ATOM 1655 CB TYR A 99 0.059 10.350 -4.861 1.00 45.14 C ATOM 1656 CG TYR A 99 -1.321 9.974 -5.377 1.00 23.12 C ATOM 1657 CD1 TYR A 99 -1.731 8.635 -5.322 1.00 44.10 C ATOM 1658 CD2 TYR A 99 -2.197 10.942 -5.908 1.00 30.34 C ATOM 1659 CE1 TYR A 99 -2.990 8.240 -5.802 1.00 25.35 C ATOM 1660 CE2 TYR A 99 -3.468 10.559 -6.378 1.00 54.54 C ATOM 1661 CZ TYR A 99 -3.866 9.206 -6.343 1.00 72.24 C ATOM 1662 OH TYR A 99 -5.075 8.834 -6.849 1.00 11.35 O ATOM 0 H TYR A 99 2.376 11.008 -4.419 1.00 10.33 H new ATOM 0 HA TYR A 99 1.278 8.842 -5.792 1.00 12.31 H new ATOM 0 HB2 TYR A 99 0.200 9.897 -3.880 1.00 45.14 H new ATOM 0 HB3 TYR A 99 0.097 11.430 -4.722 1.00 45.14 H new ATOM 0 HD1 TYR A 99 -1.067 7.894 -4.903 1.00 44.10 H new ATOM 0 HD2 TYR A 99 -1.894 11.977 -5.954 1.00 30.34 H new ATOM 0 HE1 TYR A 99 -3.287 7.203 -5.758 1.00 25.35 H new ATOM 0 HE2 TYR A 99 -4.143 11.306 -6.768 1.00 54.54 H new ATOM 0 HH TYR A 99 -5.124 7.856 -6.895 1.00 11.35 H new ATOM 1672 N GLU A 100 0.881 11.797 -7.303 1.00 50.53 N ATOM 1673 CA GLU A 100 0.611 12.324 -8.634 1.00 45.50 C ATOM 1674 C GLU A 100 1.723 12.065 -9.661 1.00 5.34 C ATOM 1675 O GLU A 100 1.406 12.019 -10.849 1.00 73.11 O ATOM 1676 CB GLU A 100 0.197 13.805 -8.592 1.00 72.33 C ATOM 1677 CG GLU A 100 1.201 14.700 -7.860 1.00 73.32 C ATOM 1678 CD GLU A 100 0.952 16.193 -8.072 1.00 45.53 C ATOM 1679 OE1 GLU A 100 1.071 16.681 -9.221 1.00 22.22 O ATOM 1680 OE2 GLU A 100 0.636 16.889 -7.078 1.00 63.30 O ATOM 0 H GLU A 100 0.971 12.486 -6.557 1.00 50.53 H new ATOM 0 HA GLU A 100 -0.241 11.749 -8.996 1.00 45.50 H new ATOM 0 HB2 GLU A 100 0.075 14.169 -9.612 1.00 72.33 H new ATOM 0 HB3 GLU A 100 -0.775 13.889 -8.105 1.00 72.33 H new ATOM 0 HG2 GLU A 100 1.161 14.481 -6.793 1.00 73.32 H new ATOM 0 HG3 GLU A 100 2.208 14.456 -8.198 1.00 73.32 H new ATOM 1687 N SER A 101 2.961 11.799 -9.238 1.00 2.41 N ATOM 1688 CA SER A 101 4.110 11.559 -10.105 1.00 25.33 C ATOM 1689 C SER A 101 4.217 10.102 -10.574 1.00 50.54 C ATOM 1690 O SER A 101 4.733 9.863 -11.670 1.00 10.45 O ATOM 1691 CB SER A 101 5.368 11.948 -9.310 1.00 64.32 C ATOM 1692 OG SER A 101 6.492 12.161 -10.137 1.00 30.14 O ATOM 0 H SER A 101 3.196 11.744 -8.247 1.00 2.41 H new ATOM 0 HA SER A 101 3.997 12.157 -11.009 1.00 25.33 H new ATOM 0 HB2 SER A 101 5.166 12.854 -8.739 1.00 64.32 H new ATOM 0 HB3 SER A 101 5.596 11.161 -8.590 1.00 64.32 H new ATOM 0 HG SER A 101 7.263 12.407 -9.584 1.00 30.14 H new ATOM 1698 N GLU A 102 3.663 9.141 -9.828 1.00 54.40 N ATOM 1699 CA GLU A 102 3.734 7.719 -10.174 1.00 24.35 C ATOM 1700 C GLU A 102 2.338 7.090 -10.383 1.00 65.30 C ATOM 1701 O GLU A 102 2.238 5.895 -10.675 1.00 62.13 O ATOM 1702 CB GLU A 102 4.539 6.996 -9.078 1.00 23.41 C ATOM 1703 CG GLU A 102 5.911 7.603 -8.693 1.00 32.41 C ATOM 1704 CD GLU A 102 7.060 7.266 -9.647 1.00 64.14 C ATOM 1705 OE1 GLU A 102 7.522 6.102 -9.645 1.00 5.52 O ATOM 1706 OE2 GLU A 102 7.619 8.189 -10.289 1.00 61.23 O ATOM 0 H GLU A 102 3.152 9.328 -8.965 1.00 54.40 H new ATOM 0 HA GLU A 102 4.240 7.608 -11.133 1.00 24.35 H new ATOM 0 HB2 GLU A 102 3.924 6.953 -8.179 1.00 23.41 H new ATOM 0 HB3 GLU A 102 4.703 5.968 -9.401 1.00 23.41 H new ATOM 0 HG2 GLU A 102 5.809 8.687 -8.640 1.00 32.41 H new ATOM 0 HG3 GLU A 102 6.176 7.258 -7.693 1.00 32.41 H new ATOM 1713 N LYS A 103 1.277 7.901 -10.278 1.00 12.55 N ATOM 1714 CA LYS A 103 -0.148 7.587 -10.418 1.00 50.51 C ATOM 1715 C LYS A 103 -0.486 6.717 -11.633 1.00 50.50 C ATOM 1716 O LYS A 103 -0.101 7.054 -12.759 1.00 1.12 O ATOM 1717 CB LYS A 103 -0.931 8.919 -10.547 1.00 13.43 C ATOM 1718 CG LYS A 103 -2.011 9.120 -9.474 1.00 65.41 C ATOM 1719 CD LYS A 103 -3.142 10.060 -9.917 1.00 61.11 C ATOM 1720 CE LYS A 103 -2.786 11.552 -9.901 1.00 41.33 C ATOM 1721 NZ LYS A 103 -1.907 11.990 -11.008 1.00 71.32 N ATOM 0 H LYS A 103 1.410 8.891 -10.072 1.00 12.55 H new ATOM 0 HA LYS A 103 -0.427 7.014 -9.534 1.00 50.51 H new ATOM 0 HB2 LYS A 103 -0.226 9.749 -10.497 1.00 13.43 H new ATOM 0 HB3 LYS A 103 -1.400 8.958 -11.530 1.00 13.43 H new ATOM 0 HG2 LYS A 103 -2.436 8.151 -9.210 1.00 65.41 H new ATOM 0 HG3 LYS A 103 -1.547 9.521 -8.573 1.00 65.41 H new ATOM 0 HD2 LYS A 103 -3.448 9.785 -10.926 1.00 61.11 H new ATOM 0 HD3 LYS A 103 -4.003 9.900 -9.268 1.00 61.11 H new ATOM 0 HE2 LYS A 103 -3.708 12.132 -9.936 1.00 41.33 H new ATOM 0 HE3 LYS A 103 -2.299 11.785 -8.954 1.00 41.33 H new ATOM 0 HZ1 LYS A 103 -1.855 13.029 -11.020 1.00 71.32 H new ATOM 0 HZ2 LYS A 103 -0.954 11.597 -10.871 1.00 71.32 H new ATOM 0 HZ3 LYS A 103 -2.294 11.653 -11.913 1.00 71.32 H new ATOM 1735 N ASP A 104 -1.276 5.661 -11.426 1.00 45.31 N ATOM 1736 CA ASP A 104 -1.705 4.776 -12.509 1.00 4.12 C ATOM 1737 C ASP A 104 -2.880 5.403 -13.259 1.00 32.01 C ATOM 1738 O ASP A 104 -3.498 6.357 -12.773 1.00 72.10 O ATOM 1739 CB ASP A 104 -2.250 3.452 -11.947 1.00 64.35 C ATOM 1740 CG ASP A 104 -2.324 2.342 -13.000 1.00 4.23 C ATOM 1741 OD1 ASP A 104 -1.778 2.484 -14.116 1.00 44.23 O ATOM 1742 OD2 ASP A 104 -2.972 1.310 -12.736 1.00 60.14 O ATOM 0 H ASP A 104 -1.634 5.397 -10.508 1.00 45.31 H new ATOM 0 HA ASP A 104 -0.839 4.615 -13.151 1.00 4.12 H new ATOM 0 HB2 ASP A 104 -1.615 3.124 -11.124 1.00 64.35 H new ATOM 0 HB3 ASP A 104 -3.244 3.621 -11.534 1.00 64.35 H new ATOM 1747 N GLU A 105 -3.250 4.853 -14.417 1.00 73.13 N ATOM 1748 CA GLU A 105 -4.393 5.335 -15.184 1.00 22.21 C ATOM 1749 C GLU A 105 -5.679 5.099 -14.364 1.00 3.44 C ATOM 1750 O GLU A 105 -6.659 5.819 -14.562 1.00 14.34 O ATOM 1751 CB GLU A 105 -4.457 4.718 -16.596 1.00 10.34 C ATOM 1752 CG GLU A 105 -4.416 3.184 -16.631 1.00 1.22 C ATOM 1753 CD GLU A 105 -4.963 2.618 -17.944 1.00 71.21 C ATOM 1754 OE1 GLU A 105 -4.342 2.747 -19.023 1.00 52.33 O ATOM 1755 OE2 GLU A 105 -6.066 2.022 -17.915 1.00 72.01 O ATOM 0 H GLU A 105 -2.766 4.064 -14.846 1.00 73.13 H new ATOM 0 HA GLU A 105 -4.283 6.406 -15.356 1.00 22.21 H new ATOM 0 HB2 GLU A 105 -5.372 5.054 -17.083 1.00 10.34 H new ATOM 0 HB3 GLU A 105 -3.624 5.103 -17.184 1.00 10.34 H new ATOM 0 HG2 GLU A 105 -3.389 2.847 -16.493 1.00 1.22 H new ATOM 0 HG3 GLU A 105 -4.996 2.788 -15.798 1.00 1.22 H new ATOM 1762 N ASP A 106 -5.717 4.101 -13.457 1.00 32.03 N ATOM 1763 CA ASP A 106 -6.911 3.858 -12.621 1.00 24.40 C ATOM 1764 C ASP A 106 -6.891 4.703 -11.346 1.00 34.00 C ATOM 1765 O ASP A 106 -7.909 4.818 -10.661 1.00 34.30 O ATOM 1766 CB ASP A 106 -7.307 2.386 -12.439 1.00 1.40 C ATOM 1767 CG ASP A 106 -6.483 1.516 -11.494 1.00 54.14 C ATOM 1768 OD1 ASP A 106 -6.283 1.858 -10.310 1.00 73.42 O ATOM 1769 OD2 ASP A 106 -6.122 0.400 -11.941 1.00 11.34 O ATOM 0 H ASP A 106 -4.945 3.457 -13.286 1.00 32.03 H new ATOM 0 HA ASP A 106 -7.758 4.222 -13.202 1.00 24.40 H new ATOM 0 HB2 ASP A 106 -8.340 2.362 -12.093 1.00 1.40 H new ATOM 0 HB3 ASP A 106 -7.289 1.915 -13.422 1.00 1.40 H new ATOM 1774 N GLY A 107 -5.766 5.366 -11.062 1.00 12.24 N ATOM 1775 CA GLY A 107 -5.596 6.257 -9.928 1.00 21.31 C ATOM 1776 C GLY A 107 -4.996 5.639 -8.678 1.00 32.10 C ATOM 1777 O GLY A 107 -4.651 6.409 -7.781 1.00 4.33 O ATOM 0 H GLY A 107 -4.927 5.290 -11.637 1.00 12.24 H new ATOM 0 HA2 GLY A 107 -4.963 7.089 -10.237 1.00 21.31 H new ATOM 0 HA3 GLY A 107 -6.569 6.675 -9.671 1.00 21.31 H new ATOM 1781 N PHE A 108 -4.915 4.316 -8.540 1.00 61.31 N ATOM 1782 CA PHE A 108 -4.300 3.752 -7.341 1.00 73.22 C ATOM 1783 C PHE A 108 -2.783 3.920 -7.480 1.00 40.54 C ATOM 1784 O PHE A 108 -2.269 3.966 -8.600 1.00 0.54 O ATOM 1785 CB PHE A 108 -4.651 2.262 -7.196 1.00 74.14 C ATOM 1786 CG PHE A 108 -5.278 1.874 -5.872 1.00 41.31 C ATOM 1787 CD1 PHE A 108 -4.531 1.925 -4.681 1.00 35.34 C ATOM 1788 CD2 PHE A 108 -6.595 1.385 -5.841 1.00 44.45 C ATOM 1789 CE1 PHE A 108 -5.076 1.423 -3.485 1.00 64.11 C ATOM 1790 CE2 PHE A 108 -7.152 0.920 -4.641 1.00 31.03 C ATOM 1791 CZ PHE A 108 -6.377 0.900 -3.473 1.00 31.24 C ATOM 0 H PHE A 108 -5.255 3.635 -9.219 1.00 61.31 H new ATOM 0 HA PHE A 108 -4.670 4.266 -6.454 1.00 73.22 H new ATOM 0 HB2 PHE A 108 -5.335 1.986 -7.999 1.00 74.14 H new ATOM 0 HB3 PHE A 108 -3.743 1.676 -7.336 1.00 74.14 H new ATOM 0 HD1 PHE A 108 -3.538 2.350 -4.685 1.00 35.34 H new ATOM 0 HD2 PHE A 108 -7.182 1.367 -6.747 1.00 44.45 H new ATOM 0 HE1 PHE A 108 -4.492 1.440 -2.576 1.00 64.11 H new ATOM 0 HE2 PHE A 108 -8.176 0.578 -4.617 1.00 31.03 H new ATOM 0 HZ PHE A 108 -6.782 0.482 -2.564 1.00 31.24 H new ATOM 1801 N LEU A 109 -2.062 4.028 -6.362 1.00 35.11 N ATOM 1802 CA LEU A 109 -0.605 4.144 -6.383 1.00 24.03 C ATOM 1803 C LEU A 109 -0.092 2.732 -6.132 1.00 41.14 C ATOM 1804 O LEU A 109 -0.436 2.146 -5.105 1.00 33.30 O ATOM 1805 CB LEU A 109 -0.153 5.145 -5.321 1.00 23.14 C ATOM 1806 CG LEU A 109 1.371 5.309 -5.171 1.00 13.53 C ATOM 1807 CD1 LEU A 109 2.034 5.826 -6.449 1.00 14.12 C ATOM 1808 CD2 LEU A 109 1.634 6.300 -4.028 1.00 15.42 C ATOM 0 H LEU A 109 -2.468 4.037 -5.426 1.00 35.11 H new ATOM 0 HA LEU A 109 -0.212 4.523 -7.326 1.00 24.03 H new ATOM 0 HB2 LEU A 109 -0.584 6.118 -5.557 1.00 23.14 H new ATOM 0 HB3 LEU A 109 -0.564 4.839 -4.359 1.00 23.14 H new ATOM 0 HG LEU A 109 1.801 4.330 -4.961 1.00 13.53 H new ATOM 0 HD11 LEU A 109 3.108 5.923 -6.288 1.00 14.12 H new ATOM 0 HD12 LEU A 109 1.851 5.125 -7.263 1.00 14.12 H new ATOM 0 HD13 LEU A 109 1.616 6.799 -6.708 1.00 14.12 H new ATOM 0 HD21 LEU A 109 2.708 6.433 -3.902 1.00 15.42 H new ATOM 0 HD22 LEU A 109 1.175 7.260 -4.266 1.00 15.42 H new ATOM 0 HD23 LEU A 109 1.206 5.912 -3.104 1.00 15.42 H new ATOM 1820 N TYR A 110 0.683 2.171 -7.052 1.00 0.41 N ATOM 1821 CA TYR A 110 1.215 0.822 -6.948 1.00 33.00 C ATOM 1822 C TYR A 110 2.653 0.832 -6.448 1.00 21.02 C ATOM 1823 O TYR A 110 3.532 1.445 -7.051 1.00 11.51 O ATOM 1824 CB TYR A 110 1.108 0.132 -8.312 1.00 3.14 C ATOM 1825 CG TYR A 110 -0.281 -0.366 -8.666 1.00 14.24 C ATOM 1826 CD1 TYR A 110 -1.313 0.537 -8.996 1.00 11.44 C ATOM 1827 CD2 TYR A 110 -0.526 -1.751 -8.712 1.00 13.14 C ATOM 1828 CE1 TYR A 110 -2.587 0.061 -9.357 1.00 63.22 C ATOM 1829 CE2 TYR A 110 -1.785 -2.237 -9.098 1.00 44.43 C ATOM 1830 CZ TYR A 110 -2.820 -1.331 -9.414 1.00 53.11 C ATOM 1831 OH TYR A 110 -4.016 -1.812 -9.847 1.00 61.41 O ATOM 0 H TYR A 110 0.963 2.652 -7.907 1.00 0.41 H new ATOM 0 HA TYR A 110 0.629 0.264 -6.218 1.00 33.00 H new ATOM 0 HB2 TYR A 110 1.436 0.829 -9.083 1.00 3.14 H new ATOM 0 HB3 TYR A 110 1.797 -0.712 -8.331 1.00 3.14 H new ATOM 0 HD1 TYR A 110 -1.124 1.600 -8.971 1.00 11.44 H new ATOM 0 HD2 TYR A 110 0.259 -2.444 -8.449 1.00 13.14 H new ATOM 0 HE1 TYR A 110 -3.381 0.755 -9.589 1.00 63.22 H new ATOM 0 HE2 TYR A 110 -1.961 -3.301 -9.153 1.00 44.43 H new ATOM 0 HH TYR A 110 -4.003 -2.792 -9.823 1.00 61.41 H new ATOM 1841 N MET A 111 2.915 0.129 -5.347 1.00 32.34 N ATOM 1842 CA MET A 111 4.233 0.015 -4.744 1.00 41.15 C ATOM 1843 C MET A 111 4.496 -1.450 -4.409 1.00 74.35 C ATOM 1844 O MET A 111 3.578 -2.247 -4.156 1.00 60.33 O ATOM 1845 CB MET A 111 4.333 0.909 -3.501 1.00 71.22 C ATOM 1846 CG MET A 111 4.466 2.391 -3.859 1.00 72.14 C ATOM 1847 SD MET A 111 4.450 3.492 -2.421 1.00 3.33 S ATOM 1848 CE MET A 111 5.033 5.030 -3.185 1.00 55.33 C ATOM 0 H MET A 111 2.196 -0.388 -4.841 1.00 32.34 H new ATOM 0 HA MET A 111 4.995 0.356 -5.445 1.00 41.15 H new ATOM 0 HB2 MET A 111 3.448 0.766 -2.881 1.00 71.22 H new ATOM 0 HB3 MET A 111 5.193 0.603 -2.905 1.00 71.22 H new ATOM 0 HG2 MET A 111 5.395 2.541 -4.410 1.00 72.14 H new ATOM 0 HG3 MET A 111 3.651 2.669 -4.527 1.00 72.14 H new ATOM 0 HE1 MET A 111 4.605 5.883 -2.658 1.00 55.33 H new ATOM 0 HE2 MET A 111 6.120 5.076 -3.126 1.00 55.33 H new ATOM 0 HE3 MET A 111 4.724 5.057 -4.230 1.00 55.33 H new ATOM 1858 N VAL A 112 5.772 -1.812 -4.408 1.00 2.20 N ATOM 1859 CA VAL A 112 6.255 -3.147 -4.124 1.00 74.12 C ATOM 1860 C VAL A 112 7.445 -3.003 -3.184 1.00 3.34 C ATOM 1861 O VAL A 112 8.164 -2.007 -3.263 1.00 60.45 O ATOM 1862 CB VAL A 112 6.657 -3.889 -5.421 1.00 41.52 C ATOM 1863 CG1 VAL A 112 6.629 -5.401 -5.197 1.00 34.14 C ATOM 1864 CG2 VAL A 112 5.757 -3.596 -6.630 1.00 63.14 C ATOM 0 H VAL A 112 6.524 -1.154 -4.614 1.00 2.20 H new ATOM 0 HA VAL A 112 5.469 -3.744 -3.661 1.00 74.12 H new ATOM 0 HB VAL A 112 7.657 -3.520 -5.649 1.00 41.52 H new ATOM 0 HG11 VAL A 112 6.914 -5.911 -6.118 1.00 34.14 H new ATOM 0 HG12 VAL A 112 7.330 -5.664 -4.405 1.00 34.14 H new ATOM 0 HG13 VAL A 112 5.623 -5.708 -4.909 1.00 34.14 H new ATOM 0 HG21 VAL A 112 6.113 -4.158 -7.493 1.00 63.14 H new ATOM 0 HG22 VAL A 112 4.733 -3.892 -6.402 1.00 63.14 H new ATOM 0 HG23 VAL A 112 5.785 -2.530 -6.855 1.00 63.14 H new ATOM 1874 N TYR A 113 7.678 -3.969 -2.300 1.00 32.14 N ATOM 1875 CA TYR A 113 8.809 -3.914 -1.380 1.00 60.43 C ATOM 1876 C TYR A 113 9.573 -5.230 -1.425 1.00 53.11 C ATOM 1877 O TYR A 113 8.974 -6.296 -1.624 1.00 24.04 O ATOM 1878 CB TYR A 113 8.344 -3.541 0.031 1.00 63.04 C ATOM 1879 CG TYR A 113 7.517 -4.604 0.730 1.00 64.14 C ATOM 1880 CD1 TYR A 113 6.134 -4.687 0.490 1.00 1.54 C ATOM 1881 CD2 TYR A 113 8.142 -5.552 1.565 1.00 55.41 C ATOM 1882 CE1 TYR A 113 5.382 -5.728 1.056 1.00 20.33 C ATOM 1883 CE2 TYR A 113 7.393 -6.589 2.149 1.00 1.11 C ATOM 1884 CZ TYR A 113 6.009 -6.683 1.885 1.00 22.02 C ATOM 1885 OH TYR A 113 5.273 -7.700 2.399 1.00 33.00 O ATOM 0 H TYR A 113 7.097 -4.801 -2.202 1.00 32.14 H new ATOM 0 HA TYR A 113 9.497 -3.128 -1.691 1.00 60.43 H new ATOM 0 HB2 TYR A 113 9.220 -3.323 0.641 1.00 63.04 H new ATOM 0 HB3 TYR A 113 7.758 -2.624 -0.025 1.00 63.04 H new ATOM 0 HD1 TYR A 113 5.650 -3.948 -0.131 1.00 1.54 H new ATOM 0 HD2 TYR A 113 9.202 -5.482 1.757 1.00 55.41 H new ATOM 0 HE1 TYR A 113 4.323 -5.798 0.857 1.00 20.33 H new ATOM 0 HE2 TYR A 113 7.873 -7.309 2.795 1.00 1.11 H new ATOM 0 HH TYR A 113 5.767 -8.124 3.131 1.00 33.00 H new ATOM 1895 N ALA A 114 10.892 -5.138 -1.244 1.00 13.11 N ATOM 1896 CA ALA A 114 11.795 -6.283 -1.245 1.00 51.23 C ATOM 1897 C ALA A 114 13.120 -5.927 -0.576 1.00 42.23 C ATOM 1898 O ALA A 114 13.426 -4.756 -0.354 1.00 73.03 O ATOM 1899 CB ALA A 114 12.107 -6.674 -2.692 1.00 11.41 C ATOM 0 H ALA A 114 11.367 -4.249 -1.090 1.00 13.11 H new ATOM 0 HA ALA A 114 11.312 -7.097 -0.705 1.00 51.23 H new ATOM 0 HB1 ALA A 114 12.782 -7.530 -2.700 1.00 11.41 H new ATOM 0 HB2 ALA A 114 11.182 -6.936 -3.205 1.00 11.41 H new ATOM 0 HB3 ALA A 114 12.579 -5.834 -3.202 1.00 11.41 H new ATOM 1905 N SER A 115 13.933 -6.935 -0.292 1.00 24.14 N ATOM 1906 CA SER A 115 15.240 -6.809 0.308 1.00 22.33 C ATOM 1907 C SER A 115 16.206 -7.086 -0.850 1.00 61.14 C ATOM 1908 O SER A 115 16.788 -8.166 -0.954 1.00 53.41 O ATOM 1909 CB SER A 115 15.297 -7.797 1.493 1.00 60.11 C ATOM 1910 OG SER A 115 16.430 -7.619 2.324 1.00 23.43 O ATOM 0 H SER A 115 13.681 -7.904 -0.485 1.00 24.14 H new ATOM 0 HA SER A 115 15.494 -5.840 0.738 1.00 22.33 H new ATOM 0 HB2 SER A 115 14.395 -7.684 2.094 1.00 60.11 H new ATOM 0 HB3 SER A 115 15.297 -8.816 1.106 1.00 60.11 H new ATOM 0 HG SER A 115 16.390 -6.736 2.747 1.00 23.43 H new ATOM 1916 N GLN A 116 16.371 -6.085 -1.719 1.00 4.40 N ATOM 1917 CA GLN A 116 17.230 -6.066 -2.897 1.00 51.42 C ATOM 1918 C GLN A 116 17.206 -4.618 -3.395 1.00 0.11 C ATOM 1919 O GLN A 116 16.116 -4.060 -3.529 1.00 14.40 O ATOM 1920 CB GLN A 116 16.681 -7.010 -3.992 1.00 43.53 C ATOM 1921 CG GLN A 116 17.792 -7.818 -4.659 1.00 24.13 C ATOM 1922 CD GLN A 116 17.205 -8.796 -5.669 1.00 72.05 C ATOM 1923 OE1 GLN A 116 16.549 -9.777 -5.330 1.00 55.41 O ATOM 1924 NE2 GLN A 116 17.385 -8.545 -6.946 1.00 34.04 N ATOM 0 H GLN A 116 15.869 -5.204 -1.606 1.00 4.40 H new ATOM 0 HA GLN A 116 18.239 -6.404 -2.660 1.00 51.42 H new ATOM 0 HB2 GLN A 116 15.952 -7.690 -3.552 1.00 43.53 H new ATOM 0 HB3 GLN A 116 16.156 -6.424 -4.746 1.00 43.53 H new ATOM 0 HG2 GLN A 116 18.490 -7.146 -5.158 1.00 24.13 H new ATOM 0 HG3 GLN A 116 18.358 -8.362 -3.903 1.00 24.13 H new ATOM 0 HE21 GLN A 116 17.929 -7.732 -7.234 1.00 34.04 H new ATOM 0 HE22 GLN A 116 16.981 -9.163 -7.649 1.00 34.04 H new ATOM 1933 N GLU A 117 18.359 -4.013 -3.692 1.00 74.35 N ATOM 1934 CA GLU A 117 18.396 -2.625 -4.167 1.00 71.33 C ATOM 1935 C GLU A 117 18.320 -2.555 -5.701 1.00 55.31 C ATOM 1936 O GLU A 117 18.011 -1.494 -6.257 1.00 23.12 O ATOM 1937 CB GLU A 117 19.628 -1.902 -3.596 1.00 43.24 C ATOM 1938 CG GLU A 117 19.440 -0.374 -3.541 1.00 72.02 C ATOM 1939 CD GLU A 117 20.560 0.359 -2.788 1.00 12.52 C ATOM 1940 OE1 GLU A 117 21.116 -0.167 -1.797 1.00 51.34 O ATOM 1941 OE2 GLU A 117 20.852 1.533 -3.128 1.00 62.13 O ATOM 0 H GLU A 117 19.274 -4.457 -3.613 1.00 74.35 H new ATOM 0 HA GLU A 117 17.513 -2.102 -3.799 1.00 71.33 H new ATOM 0 HB2 GLU A 117 19.833 -2.276 -2.593 1.00 43.24 H new ATOM 0 HB3 GLU A 117 20.499 -2.136 -4.208 1.00 43.24 H new ATOM 0 HG2 GLU A 117 19.384 0.013 -4.558 1.00 72.02 H new ATOM 0 HG3 GLU A 117 18.486 -0.151 -3.063 1.00 72.02 H new ATOM 1948 N THR A 118 18.558 -3.665 -6.405 1.00 55.14 N ATOM 1949 CA THR A 118 18.513 -3.755 -7.857 1.00 3.10 C ATOM 1950 C THR A 118 17.851 -5.073 -8.260 1.00 55.45 C ATOM 1951 O THR A 118 18.376 -6.134 -7.926 1.00 42.55 O ATOM 1952 CB THR A 118 19.932 -3.646 -8.454 1.00 13.50 C ATOM 1953 OG1 THR A 118 20.857 -4.474 -7.772 1.00 63.44 O ATOM 1954 CG2 THR A 118 20.484 -2.220 -8.461 1.00 23.41 C ATOM 0 H THR A 118 18.795 -4.552 -5.960 1.00 55.14 H new ATOM 0 HA THR A 118 17.925 -2.926 -8.251 1.00 3.10 H new ATOM 0 HB THR A 118 19.819 -3.977 -9.486 1.00 13.50 H new ATOM 0 HG1 THR A 118 20.430 -5.328 -7.551 1.00 63.44 H new ATOM 0 HG21 THR A 118 21.484 -2.219 -8.894 1.00 23.41 H new ATOM 0 HG22 THR A 118 19.831 -1.580 -9.054 1.00 23.41 H new ATOM 0 HG23 THR A 118 20.531 -1.843 -7.439 1.00 23.41 H new ATOM 1962 N PHE A 119 16.662 -5.016 -8.865 1.00 31.41 N ATOM 1963 CA PHE A 119 15.945 -6.191 -9.343 1.00 15.54 C ATOM 1964 C PHE A 119 16.702 -6.673 -10.561 1.00 22.23 C ATOM 1965 O PHE A 119 16.975 -5.854 -11.463 1.00 62.14 O ATOM 1966 CB PHE A 119 14.492 -5.849 -9.713 1.00 62.33 C ATOM 1967 CG PHE A 119 13.506 -5.673 -8.570 1.00 74.22 C ATOM 1968 CD1 PHE A 119 13.806 -6.093 -7.258 1.00 20.02 C ATOM 1969 CD2 PHE A 119 12.230 -5.143 -8.846 1.00 12.44 C ATOM 1970 CE1 PHE A 119 12.840 -6.000 -6.247 1.00 33.31 C ATOM 1971 CE2 PHE A 119 11.258 -5.061 -7.834 1.00 55.51 C ATOM 1972 CZ PHE A 119 11.563 -5.494 -6.533 1.00 55.24 C ATOM 0 H PHE A 119 16.168 -4.140 -9.037 1.00 31.41 H new ATOM 0 HA PHE A 119 15.894 -6.957 -8.569 1.00 15.54 H new ATOM 0 HB2 PHE A 119 14.500 -4.928 -10.297 1.00 62.33 H new ATOM 0 HB3 PHE A 119 14.115 -6.637 -10.365 1.00 62.33 H new ATOM 0 HD1 PHE A 119 14.785 -6.488 -7.031 1.00 20.02 H new ATOM 0 HD2 PHE A 119 11.997 -4.797 -9.842 1.00 12.44 H new ATOM 0 HE1 PHE A 119 13.080 -6.319 -5.243 1.00 33.31 H new ATOM 0 HE2 PHE A 119 10.278 -4.666 -8.056 1.00 55.51 H new ATOM 0 HZ PHE A 119 10.816 -5.438 -5.755 1.00 55.24 H new ATOM 2101 N PHE B 178 -9.258 -0.958 3.757 1.00 43.52 N ATOM 2102 CA PHE B 178 -8.021 -0.188 3.812 1.00 4.44 C ATOM 2103 C PHE B 178 -7.506 -0.035 5.237 1.00 35.24 C ATOM 2104 O PHE B 178 -8.292 -0.033 6.180 1.00 71.01 O ATOM 2105 CB PHE B 178 -8.271 1.220 3.250 1.00 22.21 C ATOM 2106 CG PHE B 178 -8.462 1.321 1.748 1.00 40.32 C ATOM 2107 CD1 PHE B 178 -9.698 0.990 1.163 1.00 53.12 C ATOM 2108 CD2 PHE B 178 -7.417 1.800 0.932 1.00 54.52 C ATOM 2109 CE1 PHE B 178 -9.862 1.076 -0.230 1.00 20.21 C ATOM 2110 CE2 PHE B 178 -7.590 1.905 -0.458 1.00 34.02 C ATOM 2111 CZ PHE B 178 -8.802 1.505 -1.044 1.00 62.03 C ATOM 0 HA PHE B 178 -7.278 -0.728 3.224 1.00 4.44 H new ATOM 0 HB2 PHE B 178 -9.157 1.630 3.736 1.00 22.21 H new ATOM 0 HB3 PHE B 178 -7.431 1.855 3.531 1.00 22.21 H new ATOM 0 HD1 PHE B 178 -10.521 0.670 1.785 1.00 53.12 H new ATOM 0 HD2 PHE B 178 -6.477 2.088 1.379 1.00 54.52 H new ATOM 0 HE1 PHE B 178 -10.809 0.811 -0.677 1.00 20.21 H new ATOM 0 HE2 PHE B 178 -6.793 2.293 -1.075 1.00 34.02 H new ATOM 0 HZ PHE B 178 -8.918 1.527 -2.118 1.00 62.03 H new ATOM 2121 N VAL B 179 -6.192 0.174 5.373 1.00 44.44 N ATOM 2122 CA VAL B 179 -5.542 0.374 6.658 1.00 2.40 C ATOM 2123 C VAL B 179 -4.890 1.752 6.680 1.00 60.43 C ATOM 2124 O VAL B 179 -3.993 2.046 5.883 1.00 40.13 O ATOM 2125 CB VAL B 179 -4.623 -0.805 7.046 1.00 3.34 C ATOM 2126 CG1 VAL B 179 -3.328 -0.990 6.239 1.00 61.14 C ATOM 2127 CG2 VAL B 179 -4.231 -0.701 8.520 1.00 0.33 C ATOM 0 H VAL B 179 -5.550 0.208 4.581 1.00 44.44 H new ATOM 0 HA VAL B 179 -6.285 0.370 7.456 1.00 2.40 H new ATOM 0 HB VAL B 179 -5.239 -1.674 6.816 1.00 3.34 H new ATOM 0 HG11 VAL B 179 -2.782 -1.854 6.619 1.00 61.14 H new ATOM 0 HG12 VAL B 179 -3.573 -1.149 5.189 1.00 61.14 H new ATOM 0 HG13 VAL B 179 -2.709 -0.098 6.335 1.00 61.14 H new ATOM 0 HG21 VAL B 179 -3.583 -1.537 8.784 1.00 0.33 H new ATOM 0 HG22 VAL B 179 -3.702 0.236 8.690 1.00 0.33 H new ATOM 0 HG23 VAL B 179 -5.128 -0.728 9.138 1.00 0.33 H new ATOM 2137 N GLU B 180 -5.400 2.652 7.520 1.00 11.44 N ATOM 2138 CA GLU B 180 -4.814 3.983 7.632 1.00 33.33 C ATOM 2139 C GLU B 180 -3.459 3.836 8.301 1.00 51.15 C ATOM 2140 O GLU B 180 -3.210 2.907 9.077 1.00 61.43 O ATOM 2141 CB GLU B 180 -5.615 5.066 8.384 1.00 24.42 C ATOM 2142 CG GLU B 180 -7.129 4.924 8.370 1.00 24.32 C ATOM 2143 CD GLU B 180 -7.566 3.764 9.262 1.00 3.22 C ATOM 2144 OE1 GLU B 180 -7.202 3.770 10.464 1.00 4.30 O ATOM 2145 OE2 GLU B 180 -8.164 2.808 8.724 1.00 53.25 O ATOM 0 H GLU B 180 -6.205 2.486 8.124 1.00 11.44 H new ATOM 0 HA GLU B 180 -4.780 4.353 6.607 1.00 33.33 H new ATOM 0 HB2 GLU B 180 -5.283 5.076 9.422 1.00 24.42 H new ATOM 0 HB3 GLU B 180 -5.360 6.036 7.958 1.00 24.42 H new ATOM 0 HG2 GLU B 180 -7.590 5.849 8.715 1.00 24.32 H new ATOM 0 HG3 GLU B 180 -7.475 4.756 7.350 1.00 24.32 H new ATOM 2152 N ILE B 181 -2.594 4.807 8.052 1.00 33.41 N ATOM 2153 CA ILE B 181 -1.267 4.804 8.633 1.00 32.01 C ATOM 2154 C ILE B 181 -1.367 5.221 10.108 1.00 20.22 C ATOM 2155 O ILE B 181 -2.421 5.635 10.594 1.00 21.24 O ATOM 2156 CB ILE B 181 -0.401 5.738 7.752 1.00 54.52 C ATOM 2157 CG1 ILE B 181 0.605 4.849 7.006 1.00 63.11 C ATOM 2158 CG2 ILE B 181 0.182 6.983 8.452 1.00 20.21 C ATOM 2159 CD1 ILE B 181 1.528 5.676 6.130 1.00 44.34 C ATOM 0 H ILE B 181 -2.791 5.607 7.450 1.00 33.41 H new ATOM 0 HA ILE B 181 -0.794 3.822 8.644 1.00 32.01 H new ATOM 0 HB ILE B 181 -1.040 6.244 7.028 1.00 54.52 H new ATOM 0 HG12 ILE B 181 1.195 4.281 7.725 1.00 63.11 H new ATOM 0 HG13 ILE B 181 0.069 4.126 6.392 1.00 63.11 H new ATOM 0 HG21 ILE B 181 0.769 7.560 7.738 1.00 20.21 H new ATOM 0 HG22 ILE B 181 -0.631 7.599 8.835 1.00 20.21 H new ATOM 0 HG23 ILE B 181 0.821 6.670 9.278 1.00 20.21 H new ATOM 0 HD11 ILE B 181 2.228 5.018 5.616 1.00 44.34 H new ATOM 0 HD12 ILE B 181 0.938 6.224 5.395 1.00 44.34 H new ATOM 0 HD13 ILE B 181 2.082 6.382 6.749 1.00 44.34 H new ATOM 2171 N ARG B 182 -0.295 4.990 10.869 1.00 3.13 N ATOM 2172 CA ARG B 182 -0.211 5.334 12.283 1.00 73.40 C ATOM 2173 C ARG B 182 0.378 6.728 12.355 1.00 41.24 C ATOM 2174 O ARG B 182 1.551 6.926 12.043 1.00 31.32 O ATOM 2175 CB ARG B 182 0.542 4.258 13.072 1.00 32.34 C ATOM 2176 CG ARG B 182 -0.131 2.867 13.017 1.00 24.40 C ATOM 2177 CD ARG B 182 -1.582 2.767 13.529 1.00 33.51 C ATOM 2178 NE ARG B 182 -2.564 3.415 12.643 1.00 73.12 N ATOM 2179 CZ ARG B 182 -3.878 3.198 12.542 1.00 3.10 C ATOM 2180 NH1 ARG B 182 -4.490 2.264 13.256 1.00 20.43 N ATOM 2181 NH2 ARG B 182 -4.573 3.944 11.695 1.00 51.41 N ATOM 0 H ARG B 182 0.552 4.550 10.510 1.00 3.13 H new ATOM 0 HA ARG B 182 -1.188 5.356 12.767 1.00 73.40 H new ATOM 0 HB2 ARG B 182 1.557 4.177 12.683 1.00 32.34 H new ATOM 0 HB3 ARG B 182 0.624 4.572 14.113 1.00 32.34 H new ATOM 0 HG2 ARG B 182 -0.113 2.523 11.983 1.00 24.40 H new ATOM 0 HG3 ARG B 182 0.480 2.173 13.594 1.00 24.40 H new ATOM 0 HD2 ARG B 182 -1.847 1.716 13.644 1.00 33.51 H new ATOM 0 HD3 ARG B 182 -1.642 3.221 14.518 1.00 33.51 H new ATOM 0 HE ARG B 182 -2.188 4.129 12.019 1.00 73.12 H new ATOM 0 HH11 ARG B 182 -3.956 1.687 13.905 1.00 20.43 H new ATOM 0 HH12 ARG B 182 -5.495 2.123 13.156 1.00 20.43 H new ATOM 0 HH21 ARG B 182 -4.103 4.661 11.142 1.00 51.41 H new ATOM 0 HH22 ARG B 182 -5.578 3.801 11.596 1.00 51.41 H new