USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1127 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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 116 GLN :FLIP amide:sc= -6.01! C(o=-6.7!,f=-6!) USER MOD Single : A 0 SER N :NH3+ 157:sc= 0.0551 (180deg=-0.44) USER MOD Single : A 0 SER OG : rot 180:sc= 0.0708 USER MOD Single : A 1 MET CE :methyl -146:sc= 0 (180deg=-0.0417) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 8 LYS NZ :NH3+ 156:sc= -0.78 (180deg=-1.86!) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.112 F(o=-0.84,f=-0.11) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00451 USER MOD Single : A 15 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.11) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.36! F(o=-2.7,f=-1.4!) USER MOD Single : A 27 HIS : no HD1:sc= -4.93! C(o=-4.9!,f=-5.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= -1.38 (180deg=-1.48) 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= -0.549 K(o=-0.55,f=-2.7) 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+ -148:sc= -0.484 (180deg=-1.78!) USER MOD Single : A 57 HIS : no HD1:sc= -10.5! C(o=-11!,f=-13!) USER MOD Single : A 59 ASN :FLIP amide:sc= 0.235 F(o=-1.7!,f=0.23) USER MOD Single : A 60 MET CE :methyl 162:sc= -5.14! (180deg=-6.78!) 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= -0.0198 X(o=-0.02,f=-0.0084) USER MOD Single : A 74 ASN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.88 F(o=-5.4!,f=-2.9) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.584 F(o=-2.1,f=-0.58) USER MOD Single : A 86 HIS : +bothHN:sc= -5.32! C(o=-5.3!,f=-13!) USER MOD Single : A 87 SER OG : rot 71:sc= -0.103 USER MOD Single : A 88 MET CE :methyl -143:sc= -0.33 (180deg=-0.888) USER MOD Single : A 90 SER OG : rot 180:sc= -0.538 USER MOD Single : A 92 SER OG : rot -51:sc= 0.0695 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.033 USER MOD Single : A 99 TYR OH : rot -171:sc= 0.767 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -166:sc= 0.0492 USER MOD Single : A 111 MET CE :methyl -158:sc= -4.75! (180deg=-8.23!) USER MOD Single : A 113 TYR OH : rot 29:sc= 0.814 USER MOD Single : A 115 SER OG : rot -51:sc= 1.19 USER MOD Single : A 118 THR OG1 : rot 48:sc= 0.684 USER MOD Single : B 331 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 332 SER OG : rot 180:sc= 0.0274 USER MOD Single : B 339 THR OG1 : rot 10:sc= -2.79 USER MOD Single : B 340 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 44:sc= 1.1 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.533 -17.389 -2.215 1.00 13.40 N ATOM 2 CA SER A 0 -25.473 -16.610 -3.440 1.00 44.32 C ATOM 3 C SER A 0 -24.517 -15.429 -3.262 1.00 24.50 C ATOM 4 O SER A 0 -24.700 -14.380 -3.878 1.00 54.43 O ATOM 5 CB SER A 0 -26.862 -16.112 -3.843 1.00 50.33 C ATOM 6 OG SER A 0 -27.869 -17.095 -3.616 1.00 54.05 O ATOM 0 H1 SER A 0 -26.425 -17.924 -2.187 1.00 13.40 H new ATOM 0 H2 SER A 0 -24.731 -18.051 -2.185 1.00 13.40 H new ATOM 0 H3 SER A 0 -25.486 -16.751 -1.395 1.00 13.40 H new ATOM 0 HA SER A 0 -25.101 -17.253 -4.238 1.00 44.32 H new ATOM 0 HB2 SER A 0 -27.102 -15.211 -3.279 1.00 50.33 H new ATOM 0 HB3 SER A 0 -26.856 -15.836 -4.897 1.00 50.33 H new ATOM 0 HG SER A 0 -28.741 -16.738 -3.884 1.00 54.05 H new ATOM 13 N MET A 1 -23.520 -15.639 -2.417 1.00 31.35 N ATOM 14 CA MET A 1 -22.534 -14.604 -2.149 1.00 61.55 C ATOM 15 C MET A 1 -21.126 -15.196 -2.071 1.00 74.03 C ATOM 16 O MET A 1 -20.710 -15.681 -1.020 1.00 34.20 O ATOM 17 CB MET A 1 -22.871 -13.908 -0.829 1.00 3.04 C ATOM 18 CG MET A 1 -24.385 -13.809 -0.632 1.00 13.42 C ATOM 19 SD MET A 1 -24.763 -12.522 0.547 1.00 33.40 S ATOM 20 CE MET A 1 -24.687 -11.093 -0.520 1.00 2.42 C ATOM 0 H MET A 1 -23.372 -16.511 -1.908 1.00 31.35 H new ATOM 0 HA MET A 1 -22.559 -13.883 -2.966 1.00 61.55 H new ATOM 0 HB2 MET A 1 -22.428 -14.459 0.000 1.00 3.04 H new ATOM 0 HB3 MET A 1 -22.433 -12.910 -0.818 1.00 3.04 H new ATOM 0 HG2 MET A 1 -24.871 -13.596 -1.584 1.00 13.42 H new ATOM 0 HG3 MET A 1 -24.778 -14.763 -0.280 1.00 13.42 H new ATOM 0 HE1 MET A 1 -24.301 -10.241 0.040 1.00 2.42 H new ATOM 0 HE2 MET A 1 -24.028 -11.302 -1.362 1.00 2.42 H new ATOM 0 HE3 MET A 1 -25.686 -10.862 -0.890 1.00 2.42 H new ATOM 30 N PRO A 2 -20.411 -15.135 -3.225 1.00 72.22 N ATOM 31 CA PRO A 2 -19.058 -15.658 -3.297 1.00 32.22 C ATOM 32 C PRO A 2 -18.070 -14.724 -2.597 1.00 33.04 C ATOM 33 O PRO A 2 -17.586 -13.764 -3.196 1.00 20.31 O ATOM 34 CB PRO A 2 -18.775 -15.816 -4.783 1.00 4.41 C ATOM 35 CG PRO A 2 -19.796 -14.945 -5.496 1.00 61.45 C ATOM 36 CD PRO A 2 -20.871 -14.567 -4.490 1.00 64.53 C ATOM 0 HA PRO A 2 -18.949 -16.612 -2.780 1.00 32.22 H new ATOM 0 HB2 PRO A 2 -17.759 -15.503 -5.023 1.00 4.41 H new ATOM 0 HB3 PRO A 2 -18.868 -16.858 -5.090 1.00 4.41 H new ATOM 0 HG2 PRO A 2 -19.320 -14.051 -5.900 1.00 61.45 H new ATOM 0 HG3 PRO A 2 -20.233 -15.481 -6.338 1.00 61.45 H new ATOM 0 HD2 PRO A 2 -20.985 -13.485 -4.420 1.00 64.53 H new ATOM 0 HD3 PRO A 2 -21.842 -14.972 -4.776 1.00 64.53 H new ATOM 44 N SER A 3 -17.801 -15.036 -1.338 1.00 54.55 N ATOM 45 CA SER A 3 -16.879 -14.235 -0.549 1.00 22.24 C ATOM 46 C SER A 3 -15.569 -14.039 -1.314 1.00 14.34 C ATOM 47 O SER A 3 -14.695 -14.905 -1.288 1.00 50.13 O ATOM 48 CB SER A 3 -16.608 -14.885 0.810 1.00 33.41 C ATOM 49 OG SER A 3 -17.800 -15.391 1.405 1.00 60.34 O ATOM 0 H SER A 3 -18.205 -15.832 -0.844 1.00 54.55 H new ATOM 0 HA SER A 3 -17.337 -13.262 -0.371 1.00 22.24 H new ATOM 0 HB2 SER A 3 -15.891 -15.697 0.688 1.00 33.41 H new ATOM 0 HB3 SER A 3 -16.151 -14.154 1.477 1.00 33.41 H new ATOM 0 HG SER A 3 -17.586 -15.800 2.270 1.00 60.34 H new ATOM 55 N GLU A 4 -15.473 -12.896 -1.978 1.00 34.45 N ATOM 56 CA GLU A 4 -14.285 -12.577 -2.750 1.00 54.11 C ATOM 57 C GLU A 4 -13.040 -12.645 -1.861 1.00 11.33 C ATOM 58 O GLU A 4 -12.974 -11.979 -0.829 1.00 33.54 O ATOM 59 CB GLU A 4 -14.413 -11.202 -3.409 1.00 54.23 C ATOM 60 CG GLU A 4 -13.039 -10.653 -3.803 1.00 71.21 C ATOM 61 CD GLU A 4 -13.078 -10.036 -5.202 1.00 41.21 C ATOM 62 OE1 GLU A 4 -12.471 -10.581 -6.136 1.00 71.45 O ATOM 63 OE2 GLU A 4 -13.768 -8.950 -5.301 1.00 44.24 O ATOM 0 H GLU A 4 -16.199 -12.180 -1.997 1.00 34.45 H new ATOM 0 HA GLU A 4 -14.182 -13.316 -3.544 1.00 54.11 H new ATOM 0 HB2 GLU A 4 -15.046 -11.276 -4.293 1.00 54.23 H new ATOM 0 HB3 GLU A 4 -14.902 -10.510 -2.723 1.00 54.23 H new ATOM 0 HG2 GLU A 4 -12.722 -9.903 -3.079 1.00 71.21 H new ATOM 0 HG3 GLU A 4 -12.301 -11.455 -3.775 1.00 71.21 H new ATOM 71 N LYS A 5 -12.087 -13.455 -2.294 1.00 65.13 N ATOM 72 CA LYS A 5 -10.850 -13.620 -1.550 1.00 64.22 C ATOM 73 C LYS A 5 -10.033 -12.328 -1.636 1.00 42.21 C ATOM 74 O LYS A 5 -10.298 -11.477 -2.483 1.00 42.45 O ATOM 75 CB LYS A 5 -10.094 -14.859 -2.034 1.00 3.33 C ATOM 76 CG LYS A 5 -10.613 -16.122 -1.345 1.00 34.13 C ATOM 77 CD LYS A 5 -9.846 -17.359 -1.816 1.00 12.43 C ATOM 78 CE LYS A 5 -10.437 -18.635 -1.213 1.00 30.32 C ATOM 79 NZ LYS A 5 -11.491 -19.184 -2.095 1.00 30.40 N ATOM 0 H LYS A 5 -12.146 -14.005 -3.151 1.00 65.13 H new ATOM 0 HA LYS A 5 -11.060 -13.796 -0.495 1.00 64.22 H new ATOM 0 HB2 LYS A 5 -10.205 -14.958 -3.114 1.00 3.33 H new ATOM 0 HB3 LYS A 5 -9.029 -14.742 -1.832 1.00 3.33 H new ATOM 0 HG2 LYS A 5 -10.514 -16.018 -0.265 1.00 34.13 H new ATOM 0 HG3 LYS A 5 -11.675 -16.246 -1.557 1.00 34.13 H new ATOM 0 HD2 LYS A 5 -9.878 -17.418 -2.904 1.00 12.43 H new ATOM 0 HD3 LYS A 5 -8.797 -17.271 -1.532 1.00 12.43 H new ATOM 0 HE2 LYS A 5 -9.650 -19.376 -1.072 1.00 30.32 H new ATOM 0 HE3 LYS A 5 -10.853 -18.420 -0.229 1.00 30.32 H new ATOM 0 HZ1 LYS A 5 -11.882 -20.050 -1.672 1.00 30.40 H new ATOM 0 HZ2 LYS A 5 -12.249 -18.481 -2.209 1.00 30.40 H new ATOM 0 HZ3 LYS A 5 -11.084 -19.407 -3.025 1.00 30.40 H new ATOM 92 N THR A 6 -9.055 -12.224 -0.749 1.00 33.53 N ATOM 93 CA THR A 6 -8.199 -11.051 -0.713 1.00 4.02 C ATOM 94 C THR A 6 -6.965 -11.265 -1.594 1.00 30.43 C ATOM 95 O THR A 6 -6.472 -12.386 -1.715 1.00 52.20 O ATOM 96 CB THR A 6 -7.859 -10.757 0.750 1.00 22.24 C ATOM 97 OG1 THR A 6 -7.502 -12.029 1.285 1.00 4.11 O ATOM 98 CG2 THR A 6 -9.085 -10.341 1.564 1.00 10.13 C ATOM 0 H THR A 6 -8.836 -12.933 -0.049 1.00 33.53 H new ATOM 0 HA THR A 6 -8.706 -10.178 -1.124 1.00 4.02 H new ATOM 0 HB THR A 6 -7.108 -9.968 0.797 1.00 22.24 H new ATOM 0 HG1 THR A 6 -7.265 -11.931 2.231 1.00 4.11 H new ATOM 0 HG21 THR A 6 -8.788 -10.144 2.594 1.00 10.13 H new ATOM 0 HG22 THR A 6 -9.519 -9.439 1.133 1.00 10.13 H new ATOM 0 HG23 THR A 6 -9.823 -11.143 1.546 1.00 10.13 H new ATOM 106 N PHE A 7 -6.501 -10.173 -2.182 1.00 14.25 N ATOM 107 CA PHE A 7 -5.335 -10.228 -3.047 1.00 2.32 C ATOM 108 C PHE A 7 -4.233 -11.089 -2.427 1.00 75.30 C ATOM 109 O PHE A 7 -3.387 -11.629 -3.140 1.00 5.33 O ATOM 110 CB PHE A 7 -4.822 -8.794 -3.196 1.00 22.33 C ATOM 111 CG PHE A 7 -5.571 -7.970 -4.245 1.00 1.32 C ATOM 112 CD1 PHE A 7 -6.726 -7.333 -3.912 1.00 42.21 C ATOM 113 CD2 PHE A 7 -5.084 -7.876 -5.511 1.00 23.32 C ATOM 114 CE1 PHE A 7 -7.421 -6.568 -4.886 1.00 62.01 C ATOM 115 CE2 PHE A 7 -5.779 -7.111 -6.485 1.00 4.32 C ATOM 116 CZ PHE A 7 -6.933 -6.473 -6.151 1.00 45.41 C ATOM 0 H PHE A 7 -6.911 -9.245 -2.077 1.00 14.25 H new ATOM 0 HA PHE A 7 -5.604 -10.666 -4.008 1.00 2.32 H new ATOM 0 HB2 PHE A 7 -4.897 -8.290 -2.232 1.00 22.33 H new ATOM 0 HB3 PHE A 7 -3.765 -8.823 -3.459 1.00 22.33 H new ATOM 0 HD1 PHE A 7 -7.114 -7.409 -2.907 1.00 42.21 H new ATOM 0 HD2 PHE A 7 -4.168 -8.383 -5.776 1.00 23.32 H new ATOM 0 HE1 PHE A 7 -8.338 -6.062 -4.621 1.00 62.01 H new ATOM 0 HE2 PHE A 7 -5.392 -7.036 -7.490 1.00 4.32 H new ATOM 0 HZ PHE A 7 -7.462 -5.891 -6.891 1.00 45.41 H new ATOM 126 N LYS A 8 -4.278 -11.192 -1.107 1.00 44.22 N ATOM 127 CA LYS A 8 -3.294 -11.979 -0.385 1.00 32.53 C ATOM 128 C LYS A 8 -3.677 -13.459 -0.457 1.00 55.43 C ATOM 129 O LYS A 8 -2.819 -14.317 -0.658 1.00 63.02 O ATOM 130 CB LYS A 8 -3.133 -11.455 1.044 1.00 13.04 C ATOM 131 CG LYS A 8 -4.474 -11.450 1.781 1.00 74.23 C ATOM 132 CD LYS A 8 -4.272 -11.277 3.287 1.00 43.31 C ATOM 133 CE LYS A 8 -4.102 -12.632 3.977 1.00 73.45 C ATOM 134 NZ LYS A 8 -2.748 -13.175 3.727 1.00 62.03 N ATOM 0 H LYS A 8 -4.981 -10.743 -0.519 1.00 44.22 H new ATOM 0 HA LYS A 8 -2.313 -11.880 -0.849 1.00 32.53 H new ATOM 0 HB2 LYS A 8 -2.419 -12.077 1.585 1.00 13.04 H new ATOM 0 HB3 LYS A 8 -2.723 -10.445 1.021 1.00 13.04 H new ATOM 0 HG2 LYS A 8 -5.100 -10.643 1.399 1.00 74.23 H new ATOM 0 HG3 LYS A 8 -5.003 -12.383 1.586 1.00 74.23 H new ATOM 0 HD2 LYS A 8 -3.393 -10.659 3.471 1.00 43.31 H new ATOM 0 HD3 LYS A 8 -5.126 -10.752 3.714 1.00 43.31 H new ATOM 0 HE2 LYS A 8 -4.264 -12.524 5.049 1.00 73.45 H new ATOM 0 HE3 LYS A 8 -4.854 -13.331 3.610 1.00 73.45 H new ATOM 0 HZ1 LYS A 8 -2.497 -13.843 4.484 1.00 62.03 H new ATOM 0 HZ2 LYS A 8 -2.735 -13.668 2.812 1.00 62.03 H new ATOM 0 HZ3 LYS A 8 -2.059 -12.396 3.710 1.00 62.03 H new ATOM 147 N GLN A 9 -4.967 -13.712 -0.289 1.00 11.21 N ATOM 148 CA GLN A 9 -5.474 -15.073 -0.333 1.00 54.31 C ATOM 149 C GLN A 9 -5.668 -15.521 -1.784 1.00 44.42 C ATOM 150 O GLN A 9 -5.037 -16.476 -2.231 1.00 24.31 O ATOM 151 CB GLN A 9 -6.778 -15.198 0.458 1.00 22.42 C ATOM 152 CG GLN A 9 -6.501 -15.298 1.959 1.00 2.22 C ATOM 153 CD GLN A 9 -6.758 -16.717 2.470 1.00 30.23 C ATOM 154 OE1 GLN A 9 -6.430 -17.672 1.605 1.00 60.23 O flip ATOM 155 NE2 GLN A 9 -7.224 -16.930 3.577 1.00 51.32 N flip ATOM 0 H GLN A 9 -5.676 -12.998 -0.122 1.00 11.21 H new ATOM 0 HA GLN A 9 -4.739 -15.729 0.134 1.00 54.31 H new ATOM 0 HB2 GLN A 9 -7.413 -14.335 0.258 1.00 22.42 H new ATOM 0 HB3 GLN A 9 -7.326 -16.080 0.126 1.00 22.42 H new ATOM 0 HG2 GLN A 9 -5.468 -15.016 2.161 1.00 2.22 H new ATOM 0 HG3 GLN A 9 -7.135 -14.593 2.497 1.00 2.22 H new ATOM 0 HE21 GLN A 9 -7.454 -16.150 4.192 1.00 51.32 H new ATOM 0 HE22 GLN A 9 -7.384 -17.888 3.887 1.00 51.32 H new ATOM 164 N ARG A 10 -6.543 -14.808 -2.478 1.00 33.32 N ATOM 165 CA ARG A 10 -6.827 -15.120 -3.867 1.00 63.54 C ATOM 166 C ARG A 10 -5.551 -15.564 -4.584 1.00 21.45 C ATOM 167 O ARG A 10 -5.361 -16.751 -4.845 1.00 12.11 O ATOM 168 CB ARG A 10 -7.418 -13.910 -4.594 1.00 14.11 C ATOM 169 CG ARG A 10 -7.696 -14.234 -6.064 1.00 62.12 C ATOM 170 CD ARG A 10 -8.801 -15.285 -6.193 1.00 31.52 C ATOM 171 NE ARG A 10 -9.254 -15.371 -7.599 1.00 21.25 N ATOM 172 CZ ARG A 10 -10.300 -16.119 -8.013 1.00 24.41 C ATOM 173 NH1 ARG A 10 -11.009 -16.853 -7.129 1.00 13.41 N ATOM 174 NH2 ARG A 10 -10.618 -16.123 -9.293 1.00 1.04 N ATOM 0 H ARG A 10 -7.064 -14.015 -2.104 1.00 33.32 H new ATOM 0 HA ARG A 10 -7.556 -15.930 -3.882 1.00 63.54 H new ATOM 0 HB2 ARG A 10 -8.342 -13.603 -4.105 1.00 14.11 H new ATOM 0 HB3 ARG A 10 -6.728 -13.069 -4.528 1.00 14.11 H new ATOM 0 HG2 ARG A 10 -7.989 -13.326 -6.591 1.00 62.12 H new ATOM 0 HG3 ARG A 10 -6.785 -14.598 -6.539 1.00 62.12 H new ATOM 0 HD2 ARG A 10 -8.432 -16.255 -5.861 1.00 31.52 H new ATOM 0 HD3 ARG A 10 -9.640 -15.025 -5.547 1.00 31.52 H new ATOM 0 HE ARG A 10 -8.745 -14.832 -8.299 1.00 21.25 H new ATOM 0 HH11 ARG A 10 -10.756 -16.845 -6.141 1.00 13.41 H new ATOM 0 HH12 ARG A 10 -11.797 -17.415 -7.449 1.00 13.41 H new ATOM 0 HH21 ARG A 10 -10.077 -15.566 -9.955 1.00 1.04 H new ATOM 0 HH22 ARG A 10 -11.405 -16.683 -9.621 1.00 1.04 H new ATOM 187 N ARG A 11 -4.708 -14.586 -4.882 1.00 45.45 N ATOM 188 CA ARG A 11 -3.454 -14.860 -5.564 1.00 60.44 C ATOM 189 C ARG A 11 -2.708 -15.999 -4.865 1.00 23.52 C ATOM 190 O ARG A 11 -2.771 -16.129 -3.644 1.00 70.40 O ATOM 191 CB ARG A 11 -2.561 -13.619 -5.596 1.00 33.13 C ATOM 192 CG ARG A 11 -2.836 -12.777 -6.844 1.00 63.31 C ATOM 193 CD ARG A 11 -4.271 -12.247 -6.841 1.00 62.03 C ATOM 194 NE ARG A 11 -4.458 -11.287 -7.952 1.00 52.54 N ATOM 195 CZ ARG A 11 -5.518 -10.459 -8.068 1.00 14.32 C ATOM 196 NH1 ARG A 11 -6.498 -10.468 -7.139 1.00 51.33 N ATOM 197 NH2 ARG A 11 -5.583 -9.642 -9.103 1.00 0.21 N ATOM 0 H ARG A 11 -4.869 -13.603 -4.664 1.00 45.45 H new ATOM 0 HA ARG A 11 -3.690 -15.149 -6.588 1.00 60.44 H new ATOM 0 HB2 ARG A 11 -2.734 -13.019 -4.703 1.00 33.13 H new ATOM 0 HB3 ARG A 11 -1.513 -13.920 -5.580 1.00 33.13 H new ATOM 0 HG2 ARG A 11 -2.136 -11.942 -6.886 1.00 63.31 H new ATOM 0 HG3 ARG A 11 -2.668 -13.379 -7.737 1.00 63.31 H new ATOM 0 HD2 ARG A 11 -4.973 -13.074 -6.942 1.00 62.03 H new ATOM 0 HD3 ARG A 11 -4.486 -11.761 -5.889 1.00 62.03 H new ATOM 0 HE ARG A 11 -3.740 -11.249 -8.676 1.00 52.54 H new ATOM 0 HH11 ARG A 11 -6.440 -11.103 -6.343 1.00 51.33 H new ATOM 0 HH12 ARG A 11 -7.296 -9.840 -7.233 1.00 51.33 H new ATOM 0 HH21 ARG A 11 -4.839 -9.643 -9.801 1.00 0.21 H new ATOM 0 HH22 ARG A 11 -6.377 -9.010 -9.205 1.00 0.21 H new ATOM 210 N SER A 12 -2.019 -16.795 -5.669 1.00 42.14 N ATOM 211 CA SER A 12 -1.262 -17.918 -5.143 1.00 40.31 C ATOM 212 C SER A 12 0.032 -17.419 -4.495 1.00 43.33 C ATOM 213 O SER A 12 0.803 -16.694 -5.121 1.00 14.04 O ATOM 214 CB SER A 12 -0.948 -18.934 -6.243 1.00 20.01 C ATOM 215 OG SER A 12 -1.959 -18.964 -7.246 1.00 61.51 O ATOM 0 H SER A 12 -1.969 -16.684 -6.682 1.00 42.14 H new ATOM 0 HA SER A 12 -1.870 -18.417 -4.388 1.00 40.31 H new ATOM 0 HB2 SER A 12 0.010 -18.688 -6.701 1.00 20.01 H new ATOM 0 HB3 SER A 12 -0.845 -19.926 -5.802 1.00 20.01 H new ATOM 0 HG SER A 12 -1.721 -19.623 -7.931 1.00 61.51 H new ATOM 221 N PHE A 13 0.228 -17.828 -3.250 1.00 41.44 N ATOM 222 CA PHE A 13 1.415 -17.432 -2.511 1.00 63.33 C ATOM 223 C PHE A 13 2.685 -17.737 -3.309 1.00 44.41 C ATOM 224 O PHE A 13 3.581 -16.900 -3.398 1.00 20.03 O ATOM 225 CB PHE A 13 1.430 -18.250 -1.218 1.00 2.14 C ATOM 226 CG PHE A 13 2.093 -17.536 -0.039 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.771 -16.244 0.243 1.00 23.23 C ATOM 228 CD2 PHE A 13 3.004 -18.193 0.729 1.00 5.52 C ATOM 229 CE1 PHE A 13 2.387 -15.583 1.338 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.618 -17.530 1.824 1.00 33.33 C ATOM 231 CZ PHE A 13 3.298 -16.239 2.106 1.00 61.43 C ATOM 0 H PHE A 13 -0.415 -18.429 -2.735 1.00 41.44 H new ATOM 0 HA PHE A 13 1.391 -16.360 -2.314 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.405 -18.502 -0.947 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.951 -19.190 -1.400 1.00 2.14 H new ATOM 0 HD1 PHE A 13 1.047 -15.722 -0.366 1.00 23.23 H new ATOM 0 HD2 PHE A 13 3.260 -19.218 0.506 1.00 5.52 H new ATOM 0 HE1 PHE A 13 2.132 -14.558 1.562 1.00 5.13 H new ATOM 0 HE2 PHE A 13 4.340 -18.052 2.434 1.00 33.33 H new ATOM 0 HZ PHE A 13 3.766 -15.735 2.939 1.00 61.43 H new ATOM 241 N GLU A 14 2.719 -18.938 -3.868 1.00 55.44 N ATOM 242 CA GLU A 14 3.865 -19.364 -4.654 1.00 2.44 C ATOM 243 C GLU A 14 4.034 -18.460 -5.877 1.00 21.01 C ATOM 244 O GLU A 14 5.110 -18.410 -6.472 1.00 32.24 O ATOM 245 CB GLU A 14 3.730 -20.830 -5.070 1.00 3.33 C ATOM 246 CG GLU A 14 4.090 -21.764 -3.913 1.00 34.15 C ATOM 247 CD GLU A 14 3.441 -21.297 -2.609 1.00 72.44 C ATOM 248 OE1 GLU A 14 4.093 -20.621 -1.799 1.00 44.41 O ATOM 249 OE2 GLU A 14 2.212 -21.658 -2.451 1.00 21.22 O ATOM 0 H GLU A 14 1.972 -19.629 -3.792 1.00 55.44 H new ATOM 0 HA GLU A 14 4.758 -19.277 -4.036 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.709 -21.026 -5.396 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.381 -21.032 -5.921 1.00 3.33 H new ATOM 0 HG2 GLU A 14 3.762 -22.778 -4.144 1.00 34.15 H new ATOM 0 HG3 GLU A 14 5.173 -21.799 -3.792 1.00 34.15 H new ATOM 257 N GLN A 15 2.956 -17.768 -6.217 1.00 45.15 N ATOM 258 CA GLN A 15 2.972 -16.869 -7.358 1.00 41.13 C ATOM 259 C GLN A 15 3.391 -15.464 -6.921 1.00 53.54 C ATOM 260 O GLN A 15 4.151 -14.795 -7.619 1.00 72.22 O ATOM 261 CB GLN A 15 1.610 -16.844 -8.054 1.00 53.44 C ATOM 262 CG GLN A 15 1.485 -17.991 -9.059 1.00 54.20 C ATOM 263 CD GLN A 15 2.290 -17.699 -10.327 1.00 14.33 C ATOM 264 OE1 GLN A 15 3.303 -18.319 -10.607 1.00 75.04 O ATOM 265 NE2 GLN A 15 1.783 -16.725 -11.076 1.00 10.33 N ATOM 0 H GLN A 15 2.065 -17.812 -5.722 1.00 45.15 H new ATOM 0 HA GLN A 15 3.704 -17.237 -8.077 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.817 -16.920 -7.310 1.00 53.44 H new ATOM 0 HB3 GLN A 15 1.477 -15.891 -8.566 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.838 -18.917 -8.605 1.00 54.20 H new ATOM 0 HG3 GLN A 15 0.436 -18.141 -9.316 1.00 54.20 H new ATOM 0 HE21 GLN A 15 0.931 -16.247 -10.783 1.00 10.33 H new ATOM 0 HE22 GLN A 15 2.246 -16.456 -11.944 1.00 10.33 H new ATOM 274 N ARG A 16 2.877 -15.060 -5.769 1.00 3.03 N ATOM 275 CA ARG A 16 3.189 -13.746 -5.231 1.00 14.35 C ATOM 276 C ARG A 16 4.633 -13.708 -4.727 1.00 53.10 C ATOM 277 O ARG A 16 5.265 -12.653 -4.724 1.00 3.11 O ATOM 278 CB ARG A 16 2.246 -13.384 -4.082 1.00 24.11 C ATOM 279 CG ARG A 16 0.905 -12.873 -4.614 1.00 72.42 C ATOM 280 CD ARG A 16 1.048 -11.468 -5.203 1.00 11.40 C ATOM 281 NE ARG A 16 1.037 -10.461 -4.119 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.086 -9.916 -3.604 1.00 12.01 C ATOM 283 NH1 ARG A 16 -1.300 -10.278 -4.072 1.00 15.11 N ATOM 284 NH2 ARG A 16 0.021 -9.024 -2.638 1.00 73.11 N ATOM 0 H ARG A 16 2.247 -15.619 -5.193 1.00 3.03 H new ATOM 0 HA ARG A 16 3.061 -13.020 -6.034 1.00 14.35 H new ATOM 0 HB2 ARG A 16 2.082 -14.258 -3.452 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.707 -12.621 -3.455 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.529 -13.554 -5.377 1.00 72.42 H new ATOM 0 HG3 ARG A 16 0.171 -12.860 -3.808 1.00 72.42 H new ATOM 0 HD2 ARG A 16 1.977 -11.395 -5.769 1.00 11.40 H new ATOM 0 HD3 ARG A 16 0.233 -11.273 -5.900 1.00 11.40 H new ATOM 0 HE ARG A 16 1.933 -10.160 -3.737 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -1.373 -10.968 -4.820 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -2.144 -9.862 -3.678 1.00 15.11 H new ATOM 0 HH21 ARG A 16 0.942 -8.756 -2.291 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -0.817 -8.603 -2.238 1.00 73.11 H new ATOM 297 N VAL A 17 5.112 -14.872 -4.312 1.00 23.21 N ATOM 298 CA VAL A 17 6.470 -14.985 -3.808 1.00 72.24 C ATOM 299 C VAL A 17 7.453 -14.904 -4.977 1.00 12.31 C ATOM 300 O VAL A 17 8.430 -14.160 -4.922 1.00 41.11 O ATOM 301 CB VAL A 17 6.619 -16.268 -2.988 1.00 61.12 C ATOM 302 CG1 VAL A 17 8.091 -16.558 -2.686 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.798 -16.194 -1.700 1.00 4.10 C ATOM 0 H VAL A 17 4.584 -15.745 -4.315 1.00 23.21 H new ATOM 0 HA VAL A 17 6.697 -14.158 -3.136 1.00 72.24 H new ATOM 0 HB VAL A 17 6.231 -17.094 -3.584 1.00 61.12 H new ATOM 0 HG11 VAL A 17 8.169 -17.475 -2.102 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.638 -16.676 -3.621 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.516 -15.730 -2.119 1.00 70.24 H new ATOM 0 HG21 VAL A 17 5.922 -17.119 -1.136 1.00 4.10 H new ATOM 0 HG22 VAL A 17 6.141 -15.353 -1.098 1.00 4.10 H new ATOM 0 HG23 VAL A 17 4.745 -16.058 -1.947 1.00 4.10 H new ATOM 313 N GLU A 18 7.160 -15.682 -6.010 1.00 25.41 N ATOM 314 CA GLU A 18 8.005 -15.709 -7.191 1.00 5.04 C ATOM 315 C GLU A 18 8.022 -14.333 -7.862 1.00 14.13 C ATOM 316 O GLU A 18 9.089 -13.787 -8.138 1.00 42.13 O ATOM 317 CB GLU A 18 7.546 -16.791 -8.170 1.00 74.55 C ATOM 318 CG GLU A 18 8.472 -16.860 -9.385 1.00 43.23 C ATOM 319 CD GLU A 18 7.993 -17.919 -10.381 1.00 34.23 C ATOM 320 OE1 GLU A 18 7.218 -17.602 -11.296 1.00 42.32 O ATOM 321 OE2 GLU A 18 8.455 -19.105 -10.180 1.00 63.31 O ATOM 0 H GLU A 18 6.348 -16.298 -6.053 1.00 25.41 H new ATOM 0 HA GLU A 18 9.021 -15.954 -6.882 1.00 5.04 H new ATOM 0 HB2 GLU A 18 7.528 -17.758 -7.667 1.00 74.55 H new ATOM 0 HB3 GLU A 18 6.527 -16.583 -8.496 1.00 74.55 H new ATOM 0 HG2 GLU A 18 8.509 -15.886 -9.874 1.00 43.23 H new ATOM 0 HG3 GLU A 18 9.486 -17.093 -9.061 1.00 43.23 H new ATOM 329 N ASP A 19 6.828 -13.815 -8.107 1.00 32.14 N ATOM 330 CA ASP A 19 6.692 -12.515 -8.741 1.00 24.24 C ATOM 331 C ASP A 19 7.676 -11.534 -8.099 1.00 51.31 C ATOM 332 O ASP A 19 8.238 -10.678 -8.781 1.00 42.23 O ATOM 333 CB ASP A 19 5.280 -11.956 -8.556 1.00 51.12 C ATOM 334 CG ASP A 19 5.100 -10.497 -8.979 1.00 40.34 C ATOM 335 OD1 ASP A 19 4.063 -9.875 -8.705 1.00 21.13 O ATOM 336 OD2 ASP A 19 6.097 -9.990 -9.624 1.00 21.13 O ATOM 0 H ASP A 19 5.945 -14.272 -7.878 1.00 32.14 H new ATOM 0 HA ASP A 19 6.895 -12.636 -9.805 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.584 -12.572 -9.126 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.003 -12.051 -7.506 1.00 51.12 H new ATOM 342 N VAL A 20 7.854 -11.692 -6.796 1.00 71.23 N ATOM 343 CA VAL A 20 8.760 -10.831 -6.056 1.00 54.42 C ATOM 344 C VAL A 20 10.201 -11.147 -6.460 1.00 35.23 C ATOM 345 O VAL A 20 11.000 -10.239 -6.685 1.00 13.24 O ATOM 346 CB VAL A 20 8.515 -10.982 -4.552 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.772 -10.633 -3.754 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.326 -10.131 -4.103 1.00 35.51 C ATOM 0 H VAL A 20 7.386 -12.403 -6.234 1.00 71.23 H new ATOM 0 HA VAL A 20 8.575 -9.785 -6.299 1.00 54.42 H new ATOM 0 HB VAL A 20 8.273 -12.026 -4.355 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.571 -10.749 -2.689 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.584 -11.300 -4.044 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.059 -9.602 -3.959 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.173 -10.256 -3.031 1.00 35.51 H new ATOM 0 HG22 VAL A 20 7.526 -9.082 -4.321 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.430 -10.448 -4.637 1.00 35.51 H new ATOM 358 N ARG A 21 10.491 -12.437 -6.541 1.00 73.35 N ATOM 359 CA ARG A 21 11.822 -12.884 -6.914 1.00 12.33 C ATOM 360 C ARG A 21 12.396 -11.984 -8.011 1.00 3.32 C ATOM 361 O ARG A 21 13.566 -11.608 -7.963 1.00 20.04 O ATOM 362 CB ARG A 21 11.798 -14.330 -7.412 1.00 32.23 C ATOM 363 CG ARG A 21 13.216 -14.892 -7.531 1.00 24.21 C ATOM 364 CD ARG A 21 13.219 -16.215 -8.302 1.00 65.53 C ATOM 365 NE ARG A 21 14.561 -16.834 -8.238 1.00 31.50 N ATOM 366 CZ ARG A 21 14.799 -18.147 -8.447 1.00 64.23 C ATOM 367 NH1 ARG A 21 13.784 -18.990 -8.734 1.00 64.10 N ATOM 368 NH2 ARG A 21 16.038 -18.595 -8.364 1.00 2.31 N ATOM 0 H ARG A 21 9.826 -13.188 -6.354 1.00 73.35 H new ATOM 0 HA ARG A 21 12.452 -12.828 -6.026 1.00 12.33 H new ATOM 0 HB2 ARG A 21 11.216 -14.945 -6.726 1.00 32.23 H new ATOM 0 HB3 ARG A 21 11.302 -14.376 -8.381 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.856 -14.170 -8.038 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.635 -15.046 -6.536 1.00 24.21 H new ATOM 0 HD2 ARG A 21 12.476 -16.893 -7.881 1.00 65.53 H new ATOM 0 HD3 ARG A 21 12.939 -16.041 -9.341 1.00 65.53 H new ATOM 0 HE ARG A 21 15.356 -16.232 -8.023 1.00 31.50 H new ATOM 0 HH11 ARG A 21 12.829 -18.637 -8.794 1.00 64.10 H new ATOM 0 HH12 ARG A 21 13.972 -19.980 -8.891 1.00 64.10 H new ATOM 0 HH21 ARG A 21 16.799 -17.952 -8.145 1.00 2.31 H new ATOM 0 HH22 ARG A 21 16.234 -19.584 -8.519 1.00 2.31 H new ATOM 381 N LEU A 22 11.545 -11.664 -8.975 1.00 21.23 N ATOM 382 CA LEU A 22 11.952 -10.815 -10.083 1.00 44.20 C ATOM 383 C LEU A 22 12.435 -9.471 -9.536 1.00 44.01 C ATOM 384 O LEU A 22 13.619 -9.148 -9.631 1.00 64.33 O ATOM 385 CB LEU A 22 10.822 -10.693 -11.107 1.00 45.15 C ATOM 386 CG LEU A 22 10.653 -11.876 -12.063 1.00 0.33 C ATOM 387 CD1 LEU A 22 11.275 -11.572 -13.427 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.215 -13.160 -11.450 1.00 33.03 C ATOM 0 H LEU A 22 10.575 -11.977 -9.012 1.00 21.23 H new ATOM 0 HA LEU A 22 12.789 -11.261 -10.620 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.885 -10.549 -10.569 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.991 -9.794 -11.699 1.00 45.15 H new ATOM 0 HG LEU A 22 9.587 -12.036 -12.224 1.00 0.33 H new ATOM 0 HD11 LEU A 22 11.141 -12.429 -14.087 1.00 14.41 H new ATOM 0 HD12 LEU A 22 10.789 -10.699 -13.862 1.00 14.41 H new ATOM 0 HD13 LEU A 22 12.339 -11.371 -13.305 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.082 -13.985 -12.149 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.277 -13.029 -11.241 1.00 33.03 H new ATOM 0 HD23 LEU A 22 10.687 -13.382 -10.523 1.00 33.03 H new ATOM 400 N ILE A 23 11.495 -8.722 -8.978 1.00 72.43 N ATOM 401 CA ILE A 23 11.811 -7.419 -8.417 1.00 73.03 C ATOM 402 C ILE A 23 13.008 -7.551 -7.474 1.00 50.41 C ATOM 403 O ILE A 23 13.731 -6.584 -7.243 1.00 52.54 O ATOM 404 CB ILE A 23 10.575 -6.804 -7.759 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.297 -5.405 -8.312 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.708 -6.802 -6.236 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.937 -5.465 -9.799 1.00 24.34 C ATOM 0 H ILE A 23 10.514 -8.993 -8.902 1.00 72.43 H new ATOM 0 HA ILE A 23 12.101 -6.725 -9.206 1.00 73.03 H new ATOM 0 HB ILE A 23 9.713 -7.424 -8.006 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.481 -4.945 -7.755 1.00 62.53 H new ATOM 0 HG13 ILE A 23 11.174 -4.773 -8.172 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.816 -6.359 -5.793 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.820 -7.826 -5.879 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.583 -6.219 -5.948 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.744 -4.458 -10.168 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.765 -5.903 -10.356 1.00 24.34 H new ATOM 0 HD13 ILE A 23 9.045 -6.077 -9.933 1.00 24.34 H new ATOM 419 N ARG A 24 13.181 -8.758 -6.954 1.00 12.34 N ATOM 420 CA ARG A 24 14.278 -9.029 -6.040 1.00 45.23 C ATOM 421 C ARG A 24 15.598 -9.119 -6.808 1.00 1.14 C ATOM 422 O ARG A 24 16.643 -8.713 -6.302 1.00 74.04 O ATOM 423 CB ARG A 24 14.049 -10.335 -5.277 1.00 34.14 C ATOM 424 CG ARG A 24 13.447 -10.066 -3.897 1.00 13.13 C ATOM 425 CD ARG A 24 14.244 -8.994 -3.151 1.00 0.34 C ATOM 426 NE ARG A 24 15.684 -9.122 -3.466 1.00 52.12 N ATOM 427 CZ ARG A 24 16.677 -8.853 -2.593 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.394 -8.438 -1.339 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.930 -9.002 -2.981 1.00 1.01 N ATOM 0 H ARG A 24 12.580 -9.559 -7.148 1.00 12.34 H new ATOM 0 HA ARG A 24 14.325 -8.208 -5.325 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.383 -10.982 -5.848 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.994 -10.867 -5.168 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.411 -9.745 -4.005 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.436 -10.987 -3.315 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.888 -8.003 -3.433 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.088 -9.095 -2.077 1.00 0.34 H new ATOM 0 HE ARG A 24 15.942 -9.433 -4.402 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.424 -8.326 -1.046 1.00 71.43 H new ATOM 0 HH12 ARG A 24 17.151 -8.237 -0.685 1.00 71.43 H new ATOM 0 HH21 ARG A 24 18.136 -9.316 -3.929 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.692 -8.803 -2.333 1.00 1.01 H new ATOM 442 N GLU A 25 15.507 -9.653 -8.017 1.00 75.54 N ATOM 443 CA GLU A 25 16.681 -9.802 -8.860 1.00 71.24 C ATOM 444 C GLU A 25 16.754 -8.660 -9.876 1.00 4.54 C ATOM 445 O GLU A 25 17.723 -8.552 -10.626 1.00 51.11 O ATOM 446 CB GLU A 25 16.684 -11.161 -9.563 1.00 21.24 C ATOM 447 CG GLU A 25 15.461 -11.312 -10.469 1.00 65.42 C ATOM 448 CD GLU A 25 15.759 -12.248 -11.642 1.00 43.43 C ATOM 449 OE1 GLU A 25 15.409 -13.436 -11.592 1.00 42.04 O ATOM 450 OE2 GLU A 25 16.377 -11.699 -12.632 1.00 50.21 O ATOM 0 H GLU A 25 14.638 -9.988 -8.433 1.00 75.54 H new ATOM 0 HA GLU A 25 17.566 -9.756 -8.226 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.594 -11.267 -10.154 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.692 -11.959 -8.820 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.623 -11.702 -9.892 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.161 -10.334 -10.846 1.00 65.42 H new ATOM 458 N GLN A 26 15.718 -7.835 -9.866 1.00 42.22 N ATOM 459 CA GLN A 26 15.652 -6.705 -10.776 1.00 1.04 C ATOM 460 C GLN A 26 15.801 -5.392 -10.005 1.00 74.23 C ATOM 461 O GLN A 26 16.697 -4.599 -10.290 1.00 72.32 O ATOM 462 CB GLN A 26 14.349 -6.723 -11.580 1.00 4.32 C ATOM 463 CG GLN A 26 14.306 -7.927 -12.525 1.00 11.50 C ATOM 464 CD GLN A 26 13.278 -7.711 -13.638 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.740 -8.835 -14.102 1.00 21.42 O flip ATOM 466 NE2 GLN A 26 12.993 -6.598 -14.048 1.00 14.23 N flip ATOM 0 H GLN A 26 14.917 -7.927 -9.241 1.00 42.22 H new ATOM 0 HA GLN A 26 16.478 -6.785 -11.482 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.498 -6.759 -10.900 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.259 -5.801 -12.155 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.292 -8.087 -12.961 1.00 11.50 H new ATOM 0 HG3 GLN A 26 14.056 -8.827 -11.963 1.00 11.50 H new ATOM 0 HE21 GLN A 26 13.444 -5.776 -13.647 1.00 14.23 H new ATOM 0 HE22 GLN A 26 12.303 -6.490 -14.792 1.00 14.23 H new ATOM 475 N HIS A 27 14.909 -5.203 -9.043 1.00 51.23 N ATOM 476 CA HIS A 27 14.931 -4.000 -8.228 1.00 52.43 C ATOM 477 C HIS A 27 15.196 -4.373 -6.769 1.00 72.33 C ATOM 478 O HIS A 27 14.266 -4.457 -5.968 1.00 1.33 O ATOM 479 CB HIS A 27 13.642 -3.197 -8.412 1.00 21.24 C ATOM 480 CG HIS A 27 13.241 -2.999 -9.854 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.267 -1.763 -10.476 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.806 -3.892 -10.789 1.00 21.41 C ATOM 483 CE1 HIS A 27 12.863 -1.916 -11.729 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.577 -3.236 -11.920 1.00 22.24 N ATOM 0 H HIS A 27 14.167 -5.863 -8.810 1.00 51.23 H new ATOM 0 HA HIS A 27 15.744 -3.350 -8.552 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.832 -3.704 -7.887 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.764 -2.221 -7.943 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.671 -4.952 -10.635 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.776 -1.134 -12.468 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.242 -3.651 -12.789 1.00 22.24 H new ATOM 492 N PRO A 28 16.500 -4.593 -6.459 1.00 55.03 N ATOM 493 CA PRO A 28 16.900 -4.956 -5.109 1.00 41.14 C ATOM 494 C PRO A 28 16.847 -3.744 -4.177 1.00 41.12 C ATOM 495 O PRO A 28 16.570 -3.883 -2.987 1.00 74.04 O ATOM 496 CB PRO A 28 18.298 -5.534 -5.254 1.00 22.43 C ATOM 497 CG PRO A 28 18.812 -5.049 -6.600 1.00 40.31 C ATOM 498 CD PRO A 28 17.628 -4.503 -7.381 1.00 2.23 C ATOM 0 HA PRO A 28 16.229 -5.684 -4.653 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.946 -5.198 -4.444 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.277 -6.623 -5.213 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.569 -4.276 -6.464 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.285 -5.866 -7.145 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.802 -3.474 -7.694 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.448 -5.085 -8.285 1.00 2.23 H new ATOM 506 N THR A 29 17.117 -2.581 -4.755 1.00 63.23 N ATOM 507 CA THR A 29 17.103 -1.346 -3.991 1.00 35.40 C ATOM 508 C THR A 29 15.709 -0.716 -4.019 1.00 2.51 C ATOM 509 O THR A 29 15.573 0.503 -3.925 1.00 3.01 O ATOM 510 CB THR A 29 18.195 -0.431 -4.552 1.00 72.21 C ATOM 511 OG1 THR A 29 17.936 -0.402 -5.953 1.00 20.14 O ATOM 512 CG2 THR A 29 19.590 -1.049 -4.443 1.00 4.31 C ATOM 0 H THR A 29 17.346 -2.469 -5.743 1.00 63.23 H new ATOM 0 HA THR A 29 17.321 -1.530 -2.939 1.00 35.40 H new ATOM 0 HB THR A 29 18.178 0.522 -4.022 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.597 0.170 -6.396 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.327 -0.359 -4.855 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.821 -1.244 -3.396 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.618 -1.985 -5.001 1.00 4.31 H new ATOM 520 N LYS A 30 14.710 -1.576 -4.150 1.00 73.12 N ATOM 521 CA LYS A 30 13.331 -1.119 -4.193 1.00 13.34 C ATOM 522 C LYS A 30 12.475 -2.014 -3.293 1.00 74.25 C ATOM 523 O LYS A 30 12.715 -3.215 -3.197 1.00 52.32 O ATOM 524 CB LYS A 30 12.835 -1.045 -5.638 1.00 53.11 C ATOM 525 CG LYS A 30 13.594 0.027 -6.423 1.00 74.24 C ATOM 526 CD LYS A 30 13.193 1.431 -5.963 1.00 31.34 C ATOM 527 CE LYS A 30 13.194 2.413 -7.136 1.00 62.14 C ATOM 528 NZ LYS A 30 13.168 3.808 -6.643 1.00 64.44 N ATOM 0 H LYS A 30 14.828 -2.586 -4.228 1.00 73.12 H new ATOM 0 HA LYS A 30 13.253 -0.104 -3.803 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.964 -2.014 -6.121 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.768 -0.822 -5.649 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.667 -0.111 -6.289 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.389 -0.083 -7.488 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.202 1.400 -5.511 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.884 1.777 -5.194 1.00 31.34 H new ATOM 0 HE2 LYS A 30 14.080 2.254 -7.750 1.00 62.14 H new ATOM 0 HE3 LYS A 30 12.328 2.230 -7.772 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 13.066 4.459 -7.448 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.365 3.932 -5.994 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 14.054 4.015 -6.140 1.00 64.44 H new ATOM 541 N ILE A 31 11.491 -1.393 -2.660 1.00 11.23 N ATOM 542 CA ILE A 31 10.597 -2.117 -1.772 1.00 34.53 C ATOM 543 C ILE A 31 9.283 -2.404 -2.501 1.00 61.33 C ATOM 544 O ILE A 31 8.556 -1.480 -2.864 1.00 14.43 O ATOM 545 CB ILE A 31 10.417 -1.358 -0.456 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.771 -1.024 0.174 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.512 -2.132 0.504 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.390 -2.261 0.829 1.00 43.44 C ATOM 0 H ILE A 31 11.293 -0.396 -2.744 1.00 11.23 H new ATOM 0 HA ILE A 31 11.029 -3.080 -1.501 1.00 34.53 H new ATOM 0 HB ILE A 31 9.921 -0.412 -0.672 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.446 -0.636 -0.589 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.646 -0.238 0.919 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.401 -1.570 1.432 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.533 -2.274 0.046 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.956 -3.104 0.719 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.352 -1.997 1.269 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.724 -2.632 1.608 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.536 -3.036 0.077 1.00 43.44 H new ATOM 560 N PRO A 32 9.011 -3.721 -2.699 1.00 41.13 N ATOM 561 CA PRO A 32 7.798 -4.141 -3.380 1.00 31.23 C ATOM 562 C PRO A 32 6.578 -3.991 -2.467 1.00 60.01 C ATOM 563 O PRO A 32 6.648 -4.293 -1.277 1.00 33.01 O ATOM 564 CB PRO A 32 8.056 -5.581 -3.793 1.00 4.31 C ATOM 565 CG PRO A 32 9.212 -6.061 -2.930 1.00 32.45 C ATOM 566 CD PRO A 32 9.849 -4.842 -2.284 1.00 10.22 C ATOM 0 HA PRO A 32 7.570 -3.526 -4.251 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.170 -6.197 -3.637 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.306 -5.645 -4.852 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.857 -6.755 -2.168 1.00 32.45 H new ATOM 0 HG3 PRO A 32 9.943 -6.598 -3.535 1.00 32.45 H new ATOM 0 HD2 PRO A 32 9.874 -4.937 -1.198 1.00 10.22 H new ATOM 0 HD3 PRO A 32 10.879 -4.711 -2.616 1.00 10.22 H new ATOM 574 N VAL A 33 5.489 -3.525 -3.061 1.00 12.13 N ATOM 575 CA VAL A 33 4.256 -3.332 -2.317 1.00 24.23 C ATOM 576 C VAL A 33 3.065 -3.675 -3.213 1.00 4.32 C ATOM 577 O VAL A 33 3.192 -3.702 -4.437 1.00 1.31 O ATOM 578 CB VAL A 33 4.197 -1.907 -1.763 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.560 -1.474 -1.217 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.695 -0.927 -2.824 1.00 4.04 C ATOM 0 H VAL A 33 5.435 -3.276 -4.049 1.00 12.13 H new ATOM 0 HA VAL A 33 4.219 -4.002 -1.458 1.00 24.23 H new ATOM 0 HB VAL A 33 3.487 -1.898 -0.936 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.490 -0.458 -0.829 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.862 -2.148 -0.415 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.300 -1.507 -2.017 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.663 0.078 -2.404 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.369 -0.941 -3.680 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.695 -1.219 -3.145 1.00 4.04 H new ATOM 590 N ILE A 34 1.935 -3.928 -2.570 1.00 53.34 N ATOM 591 CA ILE A 34 0.721 -4.268 -3.295 1.00 0.30 C ATOM 592 C ILE A 34 -0.453 -3.479 -2.712 1.00 63.12 C ATOM 593 O ILE A 34 -1.041 -3.884 -1.711 1.00 30.23 O ATOM 594 CB ILE A 34 0.505 -5.782 -3.297 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.514 -6.479 -4.213 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.938 -6.130 -3.665 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.073 -6.399 -5.675 1.00 42.24 C ATOM 0 H ILE A 34 1.834 -3.905 -1.555 1.00 53.34 H new ATOM 0 HA ILE A 34 0.809 -3.981 -4.343 1.00 0.30 H new ATOM 0 HB ILE A 34 0.678 -6.152 -2.287 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.494 -6.016 -4.099 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.618 -7.523 -3.917 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -1.064 -7.213 -3.659 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.617 -5.682 -2.940 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.163 -5.744 -4.659 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.807 -6.902 -6.305 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.104 -6.884 -5.790 1.00 42.24 H new ATOM 0 HD13 ILE A 34 0.993 -5.354 -5.974 1.00 42.24 H new ATOM 609 N ILE A 35 -0.760 -2.368 -3.365 1.00 13.32 N ATOM 610 CA ILE A 35 -1.853 -1.519 -2.924 1.00 43.02 C ATOM 611 C ILE A 35 -3.119 -1.878 -3.705 1.00 62.52 C ATOM 612 O ILE A 35 -3.086 -1.992 -4.929 1.00 31.22 O ATOM 613 CB ILE A 35 -1.463 -0.043 -3.031 1.00 14.43 C ATOM 614 CG1 ILE A 35 -0.107 0.214 -2.371 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.560 0.856 -2.456 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.661 1.314 -3.108 1.00 12.23 C ATOM 0 H ILE A 35 -0.271 -2.036 -4.196 1.00 13.32 H new ATOM 0 HA ILE A 35 -2.068 -1.692 -1.870 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.360 0.209 -4.087 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.254 0.503 -1.330 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.480 -0.705 -2.367 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -2.258 1.900 -2.544 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.486 0.698 -3.008 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.718 0.611 -1.406 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.621 1.477 -2.619 1.00 12.23 H new ATOM 0 HD12 ILE A 35 0.827 1.012 -4.142 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.082 2.237 -3.089 1.00 12.23 H new ATOM 628 N GLU A 36 -4.206 -2.047 -2.965 1.00 14.05 N ATOM 629 CA GLU A 36 -5.479 -2.392 -3.573 1.00 10.15 C ATOM 630 C GLU A 36 -6.590 -1.495 -3.022 1.00 32.02 C ATOM 631 O GLU A 36 -6.392 -0.792 -2.033 1.00 33.43 O ATOM 632 CB GLU A 36 -5.810 -3.869 -3.354 1.00 14.40 C ATOM 633 CG GLU A 36 -4.562 -4.740 -3.516 1.00 64.41 C ATOM 634 CD GLU A 36 -3.855 -4.940 -2.174 1.00 73.35 C ATOM 635 OE1 GLU A 36 -3.682 -3.976 -1.414 1.00 11.42 O ATOM 636 OE2 GLU A 36 -3.483 -6.151 -1.930 1.00 2.44 O ATOM 0 H GLU A 36 -4.230 -1.951 -1.950 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.402 -2.226 -4.648 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -6.228 -4.008 -2.357 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.573 -4.184 -4.066 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.841 -5.708 -3.932 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.878 -4.274 -4.225 1.00 64.41 H new ATOM 644 N ARG A 37 -7.734 -1.548 -3.688 1.00 33.23 N ATOM 645 CA ARG A 37 -8.876 -0.748 -3.278 1.00 73.24 C ATOM 646 C ARG A 37 -9.532 -1.358 -2.037 1.00 64.52 C ATOM 647 O ARG A 37 -9.761 -2.564 -1.981 1.00 12.04 O ATOM 648 CB ARG A 37 -9.913 -0.653 -4.399 1.00 51.13 C ATOM 649 CG ARG A 37 -10.694 -1.962 -4.536 1.00 1.41 C ATOM 650 CD ARG A 37 -11.192 -2.156 -5.969 1.00 24.11 C ATOM 651 NE ARG A 37 -12.208 -3.231 -6.012 1.00 34.33 N ATOM 652 CZ ARG A 37 -13.501 -3.064 -5.662 1.00 70.24 C ATOM 653 NH1 ARG A 37 -13.948 -1.862 -5.241 1.00 72.20 N ATOM 654 NH2 ARG A 37 -14.323 -4.094 -5.739 1.00 44.03 N ATOM 0 H ARG A 37 -7.895 -2.132 -4.508 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.514 0.254 -3.048 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.602 0.166 -4.193 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.415 -0.422 -5.341 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -10.058 -2.800 -4.252 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.541 -1.958 -3.850 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.619 -1.226 -6.343 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.356 -2.408 -6.622 1.00 24.11 H new ATOM 0 HE ARG A 37 -11.913 -4.156 -6.326 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -13.307 -1.070 -5.185 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -14.927 -1.745 -4.979 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -13.978 -4.999 -6.059 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -15.303 -3.985 -5.478 1.00 44.03 H new ATOM 667 N TYR A 38 -9.814 -0.495 -1.072 1.00 2.33 N ATOM 668 CA TYR A 38 -10.439 -0.933 0.164 1.00 20.32 C ATOM 669 C TYR A 38 -11.786 -1.604 -0.110 1.00 54.11 C ATOM 670 O TYR A 38 -12.542 -1.159 -0.972 1.00 13.01 O ATOM 671 CB TYR A 38 -10.673 0.334 0.990 1.00 12.43 C ATOM 672 CG TYR A 38 -11.816 0.216 2.001 1.00 11.11 C ATOM 673 CD1 TYR A 38 -13.125 0.317 1.575 1.00 42.23 C ATOM 674 CD2 TYR A 38 -11.537 0.009 3.336 1.00 12.43 C ATOM 675 CE1 TYR A 38 -14.201 0.206 2.527 1.00 42.11 C ATOM 676 CE2 TYR A 38 -12.614 -0.102 4.287 1.00 53.35 C ATOM 677 CZ TYR A 38 -13.892 0.002 3.835 1.00 23.24 C ATOM 678 OH TYR A 38 -14.908 -0.103 4.733 1.00 23.44 O ATOM 0 H TYR A 38 -9.621 0.505 -1.121 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.807 -1.657 0.678 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.755 0.583 1.522 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.884 1.162 0.314 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.342 0.479 0.530 1.00 42.23 H new ATOM 0 HD2 TYR A 38 -10.512 -0.070 3.668 1.00 12.43 H new ATOM 0 HE1 TYR A 38 -15.230 0.283 2.208 1.00 42.11 H new ATOM 0 HE2 TYR A 38 -12.411 -0.264 5.335 1.00 53.35 H new ATOM 0 HH TYR A 38 -14.539 -0.248 5.629 1.00 23.44 H new ATOM 688 N LYS A 39 -12.047 -2.665 0.641 1.00 73.55 N ATOM 689 CA LYS A 39 -13.289 -3.402 0.491 1.00 43.43 C ATOM 690 C LYS A 39 -14.470 -2.448 0.687 1.00 21.11 C ATOM 691 O LYS A 39 -14.861 -2.165 1.818 1.00 3.42 O ATOM 692 CB LYS A 39 -13.313 -4.611 1.427 1.00 73.41 C ATOM 693 CG LYS A 39 -13.392 -4.170 2.890 1.00 61.13 C ATOM 694 CD LYS A 39 -12.953 -5.296 3.828 1.00 10.22 C ATOM 695 CE LYS A 39 -14.005 -6.406 3.882 1.00 52.01 C ATOM 696 NZ LYS A 39 -13.842 -7.214 5.111 1.00 32.44 N ATOM 0 H LYS A 39 -11.418 -3.031 1.356 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.370 -3.809 -0.517 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -14.168 -5.244 1.188 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -12.417 -5.213 1.273 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -12.759 -3.296 3.044 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -14.413 -3.871 3.128 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -12.002 -5.707 3.488 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -12.788 -4.897 4.829 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -15.004 -5.970 3.856 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -13.913 -7.046 3.004 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -14.563 -7.963 5.132 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -12.895 -7.645 5.120 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -13.952 -6.603 5.945 1.00 32.44 H new ATOM 709 N GLY A 40 -15.005 -1.980 -0.430 1.00 74.45 N ATOM 710 CA GLY A 40 -16.132 -1.064 -0.395 1.00 3.24 C ATOM 711 C GLY A 40 -15.727 0.324 -0.895 1.00 12.21 C ATOM 712 O GLY A 40 -16.445 1.299 -0.679 1.00 40.33 O ATOM 0 H GLY A 40 -14.679 -2.218 -1.367 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.942 -1.454 -1.012 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.514 -0.990 0.623 1.00 3.24 H new ATOM 716 N GLU A 41 -14.579 0.369 -1.555 1.00 33.32 N ATOM 717 CA GLU A 41 -14.070 1.621 -2.088 1.00 32.55 C ATOM 718 C GLU A 41 -14.506 1.794 -3.544 1.00 20.11 C ATOM 719 O GLU A 41 -14.016 1.095 -4.429 1.00 31.05 O ATOM 720 CB GLU A 41 -12.548 1.694 -1.959 1.00 62.14 C ATOM 721 CG GLU A 41 -12.091 3.123 -1.657 1.00 52.41 C ATOM 722 CD GLU A 41 -12.548 4.088 -2.753 1.00 41.41 C ATOM 723 OE1 GLU A 41 -12.282 3.848 -3.941 1.00 62.12 O ATOM 724 OE2 GLU A 41 -13.202 5.118 -2.335 1.00 34.32 O ATOM 0 H GLU A 41 -13.987 -0.442 -1.733 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.490 2.439 -1.503 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.214 1.026 -1.165 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.084 1.348 -2.883 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -12.494 3.442 -0.696 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.005 3.151 -1.573 1.00 52.41 H new ATOM 732 N LYS A 42 -15.422 2.730 -3.748 1.00 64.40 N ATOM 733 CA LYS A 42 -15.929 3.004 -5.082 1.00 2.11 C ATOM 734 C LYS A 42 -15.588 4.445 -5.467 1.00 14.01 C ATOM 735 O LYS A 42 -15.227 4.717 -6.611 1.00 33.23 O ATOM 736 CB LYS A 42 -17.422 2.681 -5.164 1.00 13.31 C ATOM 737 CG LYS A 42 -18.250 3.719 -4.402 1.00 45.50 C ATOM 738 CD LYS A 42 -18.640 4.885 -5.312 1.00 43.25 C ATOM 739 CE LYS A 42 -19.948 5.528 -4.848 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.408 6.534 -5.831 1.00 23.20 N ATOM 0 H LYS A 42 -15.826 3.308 -3.011 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.446 2.356 -5.814 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.735 2.655 -6.208 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.606 1.689 -4.751 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -19.148 3.250 -4.001 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.679 4.092 -3.552 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.845 5.631 -5.315 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -18.748 4.531 -6.337 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.712 4.761 -4.719 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.803 6.000 -3.876 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.297 6.961 -5.501 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -19.685 7.275 -5.934 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -20.565 6.074 -6.750 1.00 23.20 H new ATOM 753 N GLN A 43 -15.715 5.330 -4.489 1.00 63.45 N ATOM 754 CA GLN A 43 -15.426 6.736 -4.710 1.00 43.21 C ATOM 755 C GLN A 43 -14.122 6.892 -5.497 1.00 65.15 C ATOM 756 O GLN A 43 -14.146 7.147 -6.700 1.00 23.23 O ATOM 757 CB GLN A 43 -15.361 7.499 -3.385 1.00 65.43 C ATOM 758 CG GLN A 43 -16.763 7.856 -2.889 1.00 61.32 C ATOM 759 CD GLN A 43 -17.424 8.887 -3.807 1.00 0.41 C ATOM 760 OE1 GLN A 43 -16.847 9.352 -4.776 1.00 34.35 O ATOM 761 NE2 GLN A 43 -18.661 9.216 -3.449 1.00 61.50 N ATOM 0 H GLN A 43 -16.014 5.100 -3.541 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.237 7.165 -5.298 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.850 6.893 -2.637 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.774 8.409 -3.513 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.377 6.956 -2.845 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.704 8.252 -1.875 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -19.084 8.788 -2.626 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -19.187 9.896 -3.998 1.00 61.50 H new ATOM 770 N LEU A 44 -13.016 6.733 -4.785 1.00 70.13 N ATOM 771 CA LEU A 44 -11.706 6.853 -5.401 1.00 74.32 C ATOM 772 C LEU A 44 -11.617 5.895 -6.591 1.00 11.20 C ATOM 773 O LEU A 44 -12.228 4.827 -6.580 1.00 43.35 O ATOM 774 CB LEU A 44 -10.604 6.646 -4.361 1.00 23.41 C ATOM 775 CG LEU A 44 -10.559 7.663 -3.219 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.446 6.961 -1.864 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.436 8.679 -3.433 1.00 10.25 C ATOM 0 H LEU A 44 -13.000 6.522 -3.787 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.559 7.860 -5.791 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.720 5.651 -3.931 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.642 6.661 -4.873 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.498 8.217 -3.218 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -10.416 7.707 -1.069 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -11.308 6.310 -1.718 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.533 6.366 -1.838 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.426 9.390 -2.607 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.479 8.160 -3.476 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.601 9.212 -4.369 1.00 10.25 H new ATOM 789 N PRO A 45 -10.831 6.322 -7.615 1.00 31.11 N ATOM 790 CA PRO A 45 -10.655 5.514 -8.810 1.00 72.02 C ATOM 791 C PRO A 45 -9.720 4.333 -8.541 1.00 4.31 C ATOM 792 O PRO A 45 -9.064 4.281 -7.501 1.00 31.03 O ATOM 793 CB PRO A 45 -10.113 6.474 -9.857 1.00 14.10 C ATOM 794 CG PRO A 45 -9.569 7.667 -9.088 1.00 24.31 C ATOM 795 CD PRO A 45 -10.093 7.582 -7.664 1.00 12.34 C ATOM 0 HA PRO A 45 -11.585 5.058 -9.150 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.330 6.002 -10.451 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.897 6.780 -10.549 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.479 7.661 -9.095 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.885 8.599 -9.556 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.278 7.592 -6.941 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.738 8.428 -7.428 1.00 12.34 H new ATOM 803 N VAL A 46 -9.690 3.414 -9.494 1.00 55.41 N ATOM 804 CA VAL A 46 -8.847 2.237 -9.373 1.00 62.40 C ATOM 805 C VAL A 46 -7.428 2.581 -9.831 1.00 24.11 C ATOM 806 O VAL A 46 -7.226 3.007 -10.967 1.00 23.43 O ATOM 807 CB VAL A 46 -9.460 1.071 -10.151 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.422 -0.022 -10.408 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.682 0.509 -9.423 1.00 2.32 C ATOM 0 H VAL A 46 -10.236 3.461 -10.354 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.784 1.918 -8.332 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.792 1.450 -11.118 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.884 -0.839 -10.963 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.596 0.390 -10.988 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.045 -0.397 -9.456 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.099 -0.319 -9.997 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.386 0.153 -8.436 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.434 1.291 -9.316 1.00 2.32 H new ATOM 819 N LEU A 47 -6.484 2.385 -8.923 1.00 70.21 N ATOM 820 CA LEU A 47 -5.090 2.669 -9.219 1.00 52.54 C ATOM 821 C LEU A 47 -4.737 2.093 -10.593 1.00 0.41 C ATOM 822 O LEU A 47 -5.320 1.098 -11.020 1.00 44.05 O ATOM 823 CB LEU A 47 -4.188 2.165 -8.091 1.00 21.34 C ATOM 824 CG LEU A 47 -3.141 3.155 -7.577 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.402 3.826 -8.736 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.773 4.180 -6.632 1.00 2.31 C ATOM 0 H LEU A 47 -6.657 2.033 -7.981 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.924 3.745 -9.271 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.819 1.867 -7.254 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.673 1.269 -8.437 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.400 2.599 -7.002 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.664 4.524 -8.341 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.899 3.067 -9.335 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -3.116 4.366 -9.359 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.007 4.872 -6.281 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.548 4.734 -7.162 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.215 3.665 -5.779 1.00 2.31 H new ATOM 838 N ASP A 48 -3.784 2.743 -11.244 1.00 34.23 N ATOM 839 CA ASP A 48 -3.347 2.308 -12.560 1.00 65.12 C ATOM 840 C ASP A 48 -2.875 0.854 -12.480 1.00 61.25 C ATOM 841 O ASP A 48 -3.045 0.090 -13.429 1.00 1.55 O ATOM 842 CB ASP A 48 -2.179 3.158 -13.061 1.00 32.20 C ATOM 843 CG ASP A 48 -1.240 3.675 -11.970 1.00 54.14 C ATOM 844 OD1 ASP A 48 -0.708 2.897 -11.163 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.059 4.952 -11.965 1.00 33.14 O ATOM 0 H ASP A 48 -3.302 3.567 -10.885 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.187 2.411 -13.246 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.598 2.568 -13.770 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -2.579 4.011 -13.609 1.00 32.20 H new ATOM 851 N LYS A 49 -2.291 0.517 -11.340 1.00 34.30 N ATOM 852 CA LYS A 49 -1.793 -0.831 -11.124 1.00 13.11 C ATOM 853 C LYS A 49 -1.704 -1.103 -9.622 1.00 55.44 C ATOM 854 O LYS A 49 -2.098 -0.265 -8.812 1.00 64.03 O ATOM 855 CB LYS A 49 -0.470 -1.038 -11.866 1.00 53.23 C ATOM 856 CG LYS A 49 0.402 0.216 -11.793 1.00 52.12 C ATOM 857 CD LYS A 49 0.336 1.006 -13.102 1.00 15.23 C ATOM 858 CE LYS A 49 1.476 0.607 -14.040 1.00 51.44 C ATOM 859 NZ LYS A 49 0.944 0.211 -15.363 1.00 4.25 N ATOM 0 H LYS A 49 -2.151 1.154 -10.556 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.484 -1.564 -11.540 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.065 -1.883 -11.433 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.669 -1.287 -12.908 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.072 0.846 -10.967 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.434 -0.066 -11.586 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.622 0.827 -13.591 1.00 15.23 H new ATOM 0 HD3 LYS A 49 0.391 2.074 -12.890 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.169 1.440 -14.155 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.040 -0.219 -13.606 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 1.731 -0.057 -15.988 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 0.301 -0.598 -15.250 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.426 1.010 -15.782 1.00 4.25 H new ATOM 872 N THR A 50 -1.184 -2.276 -9.295 1.00 62.40 N ATOM 873 CA THR A 50 -1.039 -2.670 -7.903 1.00 12.42 C ATOM 874 C THR A 50 0.440 -2.721 -7.515 1.00 13.32 C ATOM 875 O THR A 50 0.813 -2.308 -6.419 1.00 13.53 O ATOM 876 CB THR A 50 -1.765 -4.001 -7.710 1.00 64.23 C ATOM 877 OG1 THR A 50 -2.946 -3.871 -8.497 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.286 -4.184 -6.283 1.00 4.14 C ATOM 0 H THR A 50 -0.857 -2.968 -9.970 1.00 62.40 H new ATOM 0 HA THR A 50 -1.492 -1.938 -7.235 1.00 12.42 H new ATOM 0 HB THR A 50 -1.090 -4.820 -7.957 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.476 -4.693 -8.430 1.00 33.22 H new ATOM 0 HG21 THR A 50 -2.793 -5.145 -6.201 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.450 -4.154 -5.584 1.00 4.14 H new ATOM 0 HG23 THR A 50 -2.986 -3.383 -6.046 1.00 4.14 H new ATOM 886 N LYS A 51 1.243 -3.231 -8.437 1.00 63.11 N ATOM 887 CA LYS A 51 2.674 -3.342 -8.206 1.00 2.24 C ATOM 888 C LYS A 51 3.302 -1.948 -8.249 1.00 2.53 C ATOM 889 O LYS A 51 3.114 -1.208 -9.213 1.00 22.21 O ATOM 890 CB LYS A 51 3.300 -4.330 -9.192 1.00 62.34 C ATOM 891 CG LYS A 51 2.544 -5.660 -9.192 1.00 12.21 C ATOM 892 CD LYS A 51 3.477 -6.823 -9.529 1.00 14.34 C ATOM 893 CE LYS A 51 3.485 -7.103 -11.033 1.00 70.11 C ATOM 894 NZ LYS A 51 2.101 -7.220 -11.545 1.00 74.50 N ATOM 0 H LYS A 51 0.930 -3.572 -9.346 1.00 63.11 H new ATOM 0 HA LYS A 51 2.870 -3.750 -7.214 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.291 -3.903 -10.195 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.343 -4.501 -8.927 1.00 62.34 H new ATOM 0 HG2 LYS A 51 2.091 -5.825 -8.214 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.731 -5.620 -9.917 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.488 -6.592 -9.193 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.159 -7.716 -8.991 1.00 14.34 H new ATOM 0 HE2 LYS A 51 4.006 -6.301 -11.556 1.00 70.11 H new ATOM 0 HE3 LYS A 51 4.033 -8.023 -11.235 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 2.079 -7.896 -12.335 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.477 -7.556 -10.784 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.774 -6.290 -11.876 1.00 74.50 H new ATOM 907 N PHE A 52 4.037 -1.632 -7.193 1.00 55.52 N ATOM 908 CA PHE A 52 4.695 -0.340 -7.097 1.00 12.53 C ATOM 909 C PHE A 52 6.106 -0.484 -6.523 1.00 23.41 C ATOM 910 O PHE A 52 6.293 -1.096 -5.474 1.00 20.35 O ATOM 911 CB PHE A 52 3.857 0.519 -6.149 1.00 64.54 C ATOM 912 CG PHE A 52 2.509 0.955 -6.730 1.00 42.21 C ATOM 913 CD1 PHE A 52 2.461 1.914 -7.692 1.00 50.44 C ATOM 914 CD2 PHE A 52 1.359 0.380 -6.284 1.00 55.41 C ATOM 915 CE1 PHE A 52 1.211 2.317 -8.231 1.00 5.33 C ATOM 916 CE2 PHE A 52 0.110 0.783 -6.822 1.00 50.35 C ATOM 917 CZ PHE A 52 0.062 1.743 -7.785 1.00 13.42 C ATOM 0 H PHE A 52 4.192 -2.249 -6.396 1.00 55.52 H new ATOM 0 HA PHE A 52 4.779 0.109 -8.087 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.681 -0.039 -5.229 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.429 1.407 -5.879 1.00 64.54 H new ATOM 0 HD1 PHE A 52 3.374 2.369 -8.046 1.00 50.44 H new ATOM 0 HD2 PHE A 52 1.397 -0.383 -5.521 1.00 55.41 H new ATOM 0 HE1 PHE A 52 1.173 3.079 -8.995 1.00 5.33 H new ATOM 0 HE2 PHE A 52 -0.803 0.328 -6.467 1.00 50.35 H new ATOM 0 HZ PHE A 52 -0.889 2.049 -8.195 1.00 13.42 H new ATOM 927 N LEU A 53 7.063 0.091 -7.239 1.00 0.05 N ATOM 928 CA LEU A 53 8.450 0.034 -6.813 1.00 15.10 C ATOM 929 C LEU A 53 8.789 1.298 -6.021 1.00 53.33 C ATOM 930 O LEU A 53 8.971 2.368 -6.601 1.00 23.21 O ATOM 931 CB LEU A 53 9.368 -0.204 -8.014 1.00 22.22 C ATOM 932 CG LEU A 53 9.188 -1.537 -8.743 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.533 -2.087 -9.221 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.435 -2.542 -7.869 1.00 70.04 C ATOM 0 H LEU A 53 6.904 0.598 -8.110 1.00 0.05 H new ATOM 0 HA LEU A 53 8.609 -0.812 -6.145 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.213 0.603 -8.730 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.402 -0.135 -7.675 1.00 22.22 H new ATOM 0 HG LEU A 53 8.579 -1.362 -9.630 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.376 -3.035 -9.736 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.995 -1.375 -9.905 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.187 -2.244 -8.364 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.320 -3.481 -8.411 1.00 70.04 H new ATOM 0 HD22 LEU A 53 8.996 -2.719 -6.951 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.451 -2.143 -7.621 1.00 70.04 H new ATOM 946 N VAL A 54 8.864 1.133 -4.709 1.00 12.25 N ATOM 947 CA VAL A 54 9.177 2.248 -3.831 1.00 54.11 C ATOM 948 C VAL A 54 10.685 2.286 -3.579 1.00 53.14 C ATOM 949 O VAL A 54 11.320 1.242 -3.437 1.00 2.34 O ATOM 950 CB VAL A 54 8.358 2.147 -2.543 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.248 3.508 -1.853 1.00 52.41 C ATOM 952 CG2 VAL A 54 6.972 1.559 -2.819 1.00 33.12 C ATOM 0 H VAL A 54 8.713 0.244 -4.232 1.00 12.25 H new ATOM 0 HA VAL A 54 8.902 3.192 -4.301 1.00 54.11 H new ATOM 0 HB VAL A 54 8.881 1.471 -1.867 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.661 3.407 -0.940 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.245 3.872 -1.605 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.760 4.217 -2.522 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.410 1.498 -1.887 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.439 2.198 -3.523 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.078 0.561 -3.244 1.00 33.12 H new ATOM 962 N PRO A 55 11.230 3.531 -3.530 1.00 45.33 N ATOM 963 CA PRO A 55 12.651 3.717 -3.298 1.00 0.21 C ATOM 964 C PRO A 55 13.005 3.466 -1.830 1.00 50.22 C ATOM 965 O PRO A 55 12.284 3.899 -0.932 1.00 54.10 O ATOM 966 CB PRO A 55 12.939 5.142 -3.743 1.00 72.21 C ATOM 967 CG PRO A 55 11.595 5.850 -3.770 1.00 64.33 C ATOM 968 CD PRO A 55 10.508 4.789 -3.692 1.00 22.13 C ATOM 0 HA PRO A 55 13.264 3.008 -3.854 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.626 5.635 -3.055 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.408 5.157 -4.727 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.512 6.544 -2.933 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.491 6.437 -4.683 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.836 4.971 -2.853 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.896 4.781 -4.594 1.00 22.13 H new ATOM 976 N ASP A 56 14.115 2.770 -1.632 1.00 15.23 N ATOM 977 CA ASP A 56 14.572 2.456 -0.289 1.00 24.22 C ATOM 978 C ASP A 56 15.470 3.587 0.215 1.00 33.22 C ATOM 979 O ASP A 56 16.519 3.336 0.807 1.00 24.04 O ATOM 980 CB ASP A 56 15.387 1.162 -0.273 1.00 14.44 C ATOM 981 CG ASP A 56 16.831 1.301 -0.763 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.119 2.072 -1.690 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.689 0.566 -0.143 1.00 53.21 O ATOM 0 H ASP A 56 14.711 2.415 -2.379 1.00 15.23 H new ATOM 0 HA ASP A 56 13.695 2.337 0.347 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.400 0.771 0.744 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.879 0.422 -0.892 1.00 14.44 H new ATOM 989 N HIS A 57 15.027 4.810 -0.037 1.00 42.54 N ATOM 990 CA HIS A 57 15.778 5.980 0.384 1.00 33.12 C ATOM 991 C HIS A 57 14.808 7.086 0.809 1.00 34.15 C ATOM 992 O HIS A 57 15.192 8.251 0.901 1.00 74.42 O ATOM 993 CB HIS A 57 16.744 6.430 -0.713 1.00 42.14 C ATOM 994 CG HIS A 57 16.116 7.320 -1.759 1.00 61.13 C ATOM 995 ND1 HIS A 57 14.754 7.346 -2.001 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.678 8.217 -2.620 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.517 8.221 -2.968 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.711 8.758 -3.351 1.00 2.34 N ATOM 0 H HIS A 57 14.157 5.016 -0.528 1.00 42.54 H new ATOM 0 HA HIS A 57 16.393 5.730 1.249 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.578 6.960 -0.253 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.158 5.548 -1.202 1.00 42.14 H new ATOM 0 HD2 HIS A 57 17.730 8.448 -2.694 1.00 44.01 H new ATOM 0 HE1 HIS A 57 13.549 8.466 -3.380 1.00 52.24 H new ATOM 0 HE2 HIS A 57 15.840 9.460 -4.080 1.00 2.34 H new ATOM 1006 N VAL A 58 13.571 6.681 1.057 1.00 51.30 N ATOM 1007 CA VAL A 58 12.545 7.623 1.471 1.00 21.42 C ATOM 1008 C VAL A 58 11.735 7.016 2.620 1.00 52.34 C ATOM 1009 O VAL A 58 12.171 6.054 3.250 1.00 3.12 O ATOM 1010 CB VAL A 58 11.679 8.013 0.271 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.537 8.582 -0.861 1.00 63.40 C ATOM 1012 CG2 VAL A 58 10.847 6.825 -0.215 1.00 52.14 C ATOM 0 H VAL A 58 13.256 5.714 0.979 1.00 51.30 H new ATOM 0 HA VAL A 58 12.998 8.543 1.842 1.00 21.42 H new ATOM 0 HB VAL A 58 10.990 8.793 0.594 1.00 42.54 H new ATOM 0 HG11 VAL A 58 11.898 8.851 -1.702 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.064 9.468 -0.508 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.261 7.832 -1.181 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.241 7.130 -1.068 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.511 6.013 -0.513 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.195 6.484 0.589 1.00 52.14 H new ATOM 1022 N ASN A 59 10.572 7.604 2.856 1.00 3.10 N ATOM 1023 CA ASN A 59 9.698 7.134 3.917 1.00 53.34 C ATOM 1024 C ASN A 59 8.422 6.557 3.303 1.00 32.55 C ATOM 1025 O ASN A 59 8.147 6.766 2.122 1.00 53.32 O ATOM 1026 CB ASN A 59 9.298 8.279 4.850 1.00 31.55 C ATOM 1027 CG ASN A 59 9.773 9.625 4.299 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.175 9.989 3.168 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 10.626 10.290 4.864 1.00 14.31 N flip ATOM 0 H ASN A 59 10.214 8.402 2.331 1.00 3.10 H new ATOM 0 HA ASN A 59 10.237 6.377 4.486 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.215 8.293 4.971 1.00 31.55 H new ATOM 0 HB3 ASN A 59 9.727 8.115 5.838 1.00 31.55 H new ATOM 0 HD21 ASN A 59 11.045 9.952 5.730 1.00 14.31 H new ATOM 0 HD22 ASN A 59 10.920 11.184 4.470 1.00 14.31 H new ATOM 1036 N MET A 60 7.676 5.840 4.131 1.00 53.42 N ATOM 1037 CA MET A 60 6.436 5.231 3.684 1.00 63.50 C ATOM 1038 C MET A 60 5.464 6.288 3.157 1.00 72.03 C ATOM 1039 O MET A 60 4.668 6.014 2.259 1.00 33.53 O ATOM 1040 CB MET A 60 5.788 4.476 4.847 1.00 54.13 C ATOM 1041 CG MET A 60 5.192 5.450 5.867 1.00 71.53 C ATOM 1042 SD MET A 60 3.541 5.916 5.373 1.00 50.24 S ATOM 1043 CE MET A 60 2.837 4.301 5.082 1.00 24.12 C ATOM 0 H MET A 60 7.907 5.668 5.109 1.00 53.42 H new ATOM 0 HA MET A 60 6.666 4.539 2.873 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.007 3.817 4.468 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.530 3.843 5.333 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.168 4.987 6.854 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.821 6.337 5.946 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.749 4.373 5.079 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.178 3.924 4.118 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.153 3.619 5.871 1.00 24.12 H new ATOM 1053 N SER A 61 5.559 7.475 3.737 1.00 31.15 N ATOM 1054 CA SER A 61 4.699 8.576 3.338 1.00 60.52 C ATOM 1055 C SER A 61 4.807 8.803 1.829 1.00 5.42 C ATOM 1056 O SER A 61 3.795 8.875 1.133 1.00 42.35 O ATOM 1057 CB SER A 61 5.055 9.856 4.094 1.00 24.14 C ATOM 1058 OG SER A 61 4.814 11.023 3.312 1.00 33.42 O ATOM 0 H SER A 61 6.219 7.699 4.481 1.00 31.15 H new ATOM 0 HA SER A 61 3.671 8.314 3.587 1.00 60.52 H new ATOM 0 HB2 SER A 61 4.471 9.909 5.013 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.105 9.825 4.385 1.00 24.14 H new ATOM 0 HG SER A 61 5.052 11.819 3.831 1.00 33.42 H new ATOM 1064 N GLU A 62 6.044 8.910 1.366 1.00 43.34 N ATOM 1065 CA GLU A 62 6.298 9.128 -0.048 1.00 62.30 C ATOM 1066 C GLU A 62 5.371 8.254 -0.895 1.00 2.22 C ATOM 1067 O GLU A 62 4.666 8.757 -1.769 1.00 1.22 O ATOM 1068 CB GLU A 62 7.766 8.862 -0.388 1.00 23.32 C ATOM 1069 CG GLU A 62 8.582 10.155 -0.345 1.00 33.21 C ATOM 1070 CD GLU A 62 7.989 11.210 -1.282 1.00 21.13 C ATOM 1071 OE1 GLU A 62 8.341 12.394 -1.182 1.00 65.32 O ATOM 1072 OE2 GLU A 62 7.136 10.760 -2.139 1.00 22.24 O ATOM 0 H GLU A 62 6.881 8.850 1.945 1.00 43.34 H new ATOM 0 HA GLU A 62 6.089 10.173 -0.278 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.182 8.142 0.317 1.00 23.32 H new ATOM 0 HB3 GLU A 62 7.838 8.415 -1.380 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.605 10.541 0.674 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.613 9.948 -0.631 1.00 33.21 H new ATOM 1080 N LEU A 63 5.402 6.962 -0.606 1.00 75.35 N ATOM 1081 CA LEU A 63 4.574 6.013 -1.330 1.00 71.31 C ATOM 1082 C LEU A 63 3.200 6.636 -1.589 1.00 34.30 C ATOM 1083 O LEU A 63 2.734 6.670 -2.727 1.00 74.31 O ATOM 1084 CB LEU A 63 4.512 4.678 -0.586 1.00 53.52 C ATOM 1085 CG LEU A 63 3.932 3.499 -1.370 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.549 2.352 -0.432 1.00 21.14 C ATOM 1087 CD2 LEU A 63 2.754 3.946 -2.239 1.00 23.34 C ATOM 0 H LEU A 63 5.988 6.550 0.120 1.00 75.35 H new ATOM 0 HA LEU A 63 5.013 5.789 -2.302 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.521 4.415 -0.267 1.00 53.52 H new ATOM 0 HB3 LEU A 63 3.918 4.815 0.317 1.00 53.52 H new ATOM 0 HG LEU A 63 4.704 3.122 -2.041 1.00 3.21 H new ATOM 0 HD11 LEU A 63 3.139 1.527 -1.015 1.00 21.14 H new ATOM 0 HD12 LEU A 63 4.433 2.012 0.107 1.00 21.14 H new ATOM 0 HD13 LEU A 63 2.801 2.699 0.281 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.360 3.090 -2.786 1.00 23.34 H new ATOM 0 HD22 LEU A 63 1.972 4.363 -1.605 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.091 4.704 -2.946 1.00 23.34 H new ATOM 1099 N ILE A 64 2.591 7.114 -0.514 1.00 23.04 N ATOM 1100 CA ILE A 64 1.280 7.734 -0.611 1.00 61.52 C ATOM 1101 C ILE A 64 1.348 8.912 -1.585 1.00 62.30 C ATOM 1102 O ILE A 64 0.601 8.960 -2.560 1.00 14.00 O ATOM 1103 CB ILE A 64 0.762 8.112 0.778 1.00 21.21 C ATOM 1104 CG1 ILE A 64 0.902 6.942 1.753 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.676 8.629 0.705 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.518 7.402 3.077 1.00 54.44 C ATOM 0 H ILE A 64 2.981 7.085 0.428 1.00 23.04 H new ATOM 0 HA ILE A 64 0.554 7.029 -1.015 1.00 61.52 H new ATOM 0 HB ILE A 64 1.377 8.926 1.162 1.00 21.21 H new ATOM 0 HG12 ILE A 64 -0.077 6.499 1.938 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.525 6.166 1.308 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -1.020 8.891 1.706 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.713 9.511 0.066 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -1.321 7.854 0.291 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.606 6.551 3.752 1.00 54.44 H new ATOM 0 HD12 ILE A 64 2.506 7.823 2.892 1.00 54.44 H new ATOM 0 HD13 ILE A 64 0.880 8.161 3.531 1.00 54.44 H new ATOM 1118 N LYS A 65 2.252 9.834 -1.285 1.00 65.21 N ATOM 1119 CA LYS A 65 2.428 11.009 -2.122 1.00 4.50 C ATOM 1120 C LYS A 65 2.455 10.584 -3.591 1.00 41.42 C ATOM 1121 O LYS A 65 2.115 11.370 -4.474 1.00 64.31 O ATOM 1122 CB LYS A 65 3.666 11.796 -1.685 1.00 50.41 C ATOM 1123 CG LYS A 65 3.526 12.281 -0.241 1.00 31.50 C ATOM 1124 CD LYS A 65 4.704 13.176 0.153 1.00 14.42 C ATOM 1125 CE LYS A 65 4.969 14.235 -0.919 1.00 43.24 C ATOM 1126 NZ LYS A 65 5.882 15.279 -0.403 1.00 21.21 N ATOM 0 H LYS A 65 2.870 9.791 -0.475 1.00 65.21 H new ATOM 0 HA LYS A 65 1.587 11.692 -2.004 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.552 11.168 -1.777 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.811 12.650 -2.347 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.592 12.832 -0.127 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.475 11.424 0.431 1.00 31.50 H new ATOM 0 HD2 LYS A 65 4.494 13.662 1.106 1.00 14.42 H new ATOM 0 HD3 LYS A 65 5.596 12.567 0.296 1.00 14.42 H new ATOM 0 HE2 LYS A 65 5.405 13.766 -1.801 1.00 43.24 H new ATOM 0 HE3 LYS A 65 4.028 14.688 -1.231 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 6.051 15.989 -1.144 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 5.452 15.738 0.425 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 6.786 14.844 -0.128 1.00 21.21 H new ATOM 1139 N ILE A 66 2.864 9.343 -3.807 1.00 54.04 N ATOM 1140 CA ILE A 66 2.940 8.804 -5.155 1.00 32.11 C ATOM 1141 C ILE A 66 1.565 8.275 -5.566 1.00 63.23 C ATOM 1142 O ILE A 66 1.066 8.602 -6.642 1.00 3.21 O ATOM 1143 CB ILE A 66 4.056 7.761 -5.253 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.371 8.313 -4.701 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.204 7.251 -6.688 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.171 9.021 -5.796 1.00 42.45 C ATOM 0 H ILE A 66 3.146 8.695 -3.072 1.00 54.04 H new ATOM 0 HA ILE A 66 3.205 9.588 -5.865 1.00 32.11 H new ATOM 0 HB ILE A 66 3.782 6.906 -4.635 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.165 9.010 -3.888 1.00 34.42 H new ATOM 0 HG13 ILE A 66 5.963 7.500 -4.281 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.003 6.511 -6.731 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.269 6.793 -7.010 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.446 8.085 -7.347 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.101 9.404 -5.377 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.397 8.315 -6.596 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.586 9.849 -6.197 1.00 42.45 H new ATOM 1158 N ILE A 67 0.991 7.465 -4.688 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.317 6.887 -4.947 1.00 32.34 C ATOM 1160 C ILE A 67 -1.258 7.976 -5.464 1.00 73.40 C ATOM 1161 O ILE A 67 -1.653 7.958 -6.629 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.838 6.163 -3.703 1.00 45.44 C ATOM 1163 CG1 ILE A 67 -0.078 4.856 -3.471 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -2.349 5.941 -3.791 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.335 3.863 -4.607 1.00 74.11 C ATOM 0 H ILE A 67 1.408 7.195 -3.797 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.251 6.127 -5.726 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.656 6.798 -2.836 1.00 45.44 H new ATOM 0 HG12 ILE A 67 0.990 5.061 -3.397 1.00 52.04 H new ATOM 0 HG13 ILE A 67 -0.385 4.416 -2.522 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.694 5.425 -2.895 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.854 6.904 -3.872 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.577 5.336 -4.669 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.217 2.942 -4.417 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.401 3.642 -4.663 1.00 74.11 H new ATOM 0 HD13 ILE A 67 -0.004 4.296 -5.551 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.590 8.899 -4.574 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.478 9.995 -4.926 1.00 13.42 C ATOM 1179 C ARG A 68 -2.070 10.596 -6.271 1.00 51.22 C ATOM 1180 O ARG A 68 -2.917 10.843 -7.128 1.00 0.23 O ATOM 1181 CB ARG A 68 -2.453 11.089 -3.857 1.00 13.44 C ATOM 1182 CG ARG A 68 -1.019 11.390 -3.414 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.921 11.467 -1.889 1.00 24.23 C ATOM 1184 NE ARG A 68 -0.380 12.783 -1.482 1.00 63.13 N ATOM 1185 CZ ARG A 68 -0.577 13.339 -0.267 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -1.304 12.697 0.671 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -0.047 14.521 -0.012 1.00 64.55 N ATOM 0 H ARG A 68 -1.260 8.911 -3.609 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.489 9.594 -4.995 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.914 11.996 -4.248 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -3.045 10.776 -2.997 1.00 13.44 H new ATOM 0 HG2 ARG A 68 -0.349 10.615 -3.786 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.690 12.333 -3.851 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -1.905 11.316 -1.445 1.00 24.23 H new ATOM 0 HD3 ARG A 68 -0.278 10.669 -1.517 1.00 24.23 H new ATOM 0 HE ARG A 68 0.176 13.302 -2.161 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -1.710 11.784 0.465 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -1.448 13.124 1.586 1.00 73.42 H new ATOM 0 HH21 ARG A 68 0.501 14.999 -0.727 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -0.186 14.956 0.900 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.771 10.816 -6.416 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.240 11.384 -7.644 1.00 45.24 C ATOM 1202 C ARG A 69 -0.663 10.539 -8.846 1.00 0.14 C ATOM 1203 O ARG A 69 -0.914 11.071 -9.927 1.00 4.20 O ATOM 1204 CB ARG A 69 1.287 11.465 -7.598 1.00 70.32 C ATOM 1205 CG ARG A 69 1.749 12.843 -7.118 1.00 44.21 C ATOM 1206 CD ARG A 69 0.769 13.424 -6.096 1.00 0.22 C ATOM 1207 NE ARG A 69 1.475 14.361 -5.194 1.00 10.40 N ATOM 1208 CZ ARG A 69 0.859 15.140 -4.280 1.00 73.23 C ATOM 1209 NH1 ARG A 69 -0.484 15.100 -4.138 1.00 43.44 N ATOM 1210 NH2 ARG A 69 1.588 15.942 -3.526 1.00 11.44 N ATOM 0 H ARG A 69 -0.071 10.611 -5.703 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.643 12.392 -7.744 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.676 10.695 -6.932 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.695 11.265 -8.589 1.00 70.32 H new ATOM 0 HG2 ARG A 69 2.740 12.763 -6.672 1.00 44.21 H new ATOM 0 HG3 ARG A 69 1.836 13.518 -7.969 1.00 44.21 H new ATOM 0 HD2 ARG A 69 -0.041 13.942 -6.610 1.00 0.22 H new ATOM 0 HD3 ARG A 69 0.316 12.620 -5.516 1.00 0.22 H new ATOM 0 HE ARG A 69 2.491 14.422 -5.268 1.00 10.40 H new ATOM 0 HH11 ARG A 69 -1.040 14.478 -4.724 1.00 43.44 H new ATOM 0 HH12 ARG A 69 -0.941 15.692 -3.445 1.00 43.44 H new ATOM 0 HH21 ARG A 69 2.601 15.967 -3.639 1.00 11.44 H new ATOM 0 HH22 ARG A 69 1.138 16.537 -2.831 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.730 9.235 -8.619 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.118 8.310 -9.671 1.00 12.55 C ATOM 1225 C ARG A 70 -2.607 8.462 -9.986 1.00 23.22 C ATOM 1226 O ARG A 70 -2.991 8.569 -11.150 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.834 6.864 -9.265 1.00 25.13 C ATOM 1228 CG ARG A 70 0.594 6.714 -8.734 1.00 50.40 C ATOM 1229 CD ARG A 70 1.408 5.760 -9.612 1.00 24.25 C ATOM 1230 NE ARG A 70 2.251 6.532 -10.551 1.00 54.32 N ATOM 1231 CZ ARG A 70 2.683 6.065 -11.742 1.00 71.15 C ATOM 1232 NH1 ARG A 70 2.351 4.821 -12.150 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.433 6.841 -12.502 1.00 40.12 N ATOM 0 H ARG A 70 -0.522 8.797 -7.722 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.529 8.548 -10.557 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.545 6.551 -8.500 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -0.978 6.207 -10.123 1.00 25.13 H new ATOM 0 HG2 ARG A 70 1.079 7.690 -8.704 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.568 6.339 -7.711 1.00 50.40 H new ATOM 0 HD2 ARG A 70 2.034 5.123 -8.988 1.00 24.25 H new ATOM 0 HD3 ARG A 70 0.739 5.103 -10.167 1.00 24.25 H new ATOM 0 HE ARG A 70 2.523 7.477 -10.282 1.00 54.32 H new ATOM 0 HH11 ARG A 70 1.770 4.228 -11.557 1.00 51.00 H new ATOM 0 HH12 ARG A 70 2.681 4.475 -13.051 1.00 51.00 H new ATOM 0 HH21 ARG A 70 3.679 7.780 -12.187 1.00 40.12 H new ATOM 0 HH22 ARG A 70 3.767 6.502 -13.404 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.406 8.464 -8.929 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.846 8.599 -9.078 1.00 61.25 C ATOM 1248 C LEU A 71 -5.174 10.017 -9.550 1.00 45.53 C ATOM 1249 O LEU A 71 -6.317 10.312 -9.893 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.558 8.201 -7.785 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.510 6.714 -7.423 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -6.203 6.454 -6.084 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.093 5.857 -8.548 1.00 31.15 C ATOM 0 H LEU A 71 -3.084 8.374 -7.965 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.216 7.915 -9.841 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -5.121 8.769 -6.963 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.603 8.503 -7.861 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.466 6.423 -7.306 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -6.155 5.391 -5.850 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -5.703 7.021 -5.299 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -7.246 6.765 -6.148 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.047 4.805 -8.265 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.131 6.141 -8.721 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -5.517 6.013 -9.460 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.150 10.858 -9.551 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.315 12.238 -9.974 1.00 2.32 C ATOM 1267 C GLN A 72 -5.568 12.843 -9.336 1.00 41.52 C ATOM 1268 O GLN A 72 -6.395 13.436 -10.026 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.372 12.340 -11.500 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.541 11.527 -12.060 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.730 11.797 -13.554 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.922 12.921 -13.988 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.667 10.707 -14.313 1.00 53.14 N ATOM 0 H GLN A 72 -3.203 10.610 -9.265 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.449 12.807 -9.637 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.476 13.384 -11.795 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.436 11.980 -11.927 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.360 10.464 -11.899 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.455 11.780 -11.523 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -5.503 9.796 -13.885 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.782 10.782 -15.324 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.667 12.670 -8.026 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.805 13.192 -7.288 1.00 53.22 C ATOM 1284 C LEU A 73 -6.717 14.718 -7.234 1.00 1.12 C ATOM 1285 O LEU A 73 -5.684 15.296 -7.567 1.00 24.52 O ATOM 1286 CB LEU A 73 -6.897 12.532 -5.911 1.00 60.03 C ATOM 1287 CG LEU A 73 -6.901 11.002 -5.899 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.579 10.464 -4.503 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.224 10.452 -6.434 1.00 40.04 C ATOM 0 H LEU A 73 -4.979 12.176 -7.457 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.736 12.945 -7.798 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.058 12.878 -5.308 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -7.807 12.882 -5.423 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.114 10.654 -6.568 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.588 9.374 -4.522 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.593 10.813 -4.197 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.326 10.821 -3.794 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.200 9.362 -6.414 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.045 10.808 -5.811 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.372 10.793 -7.459 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.814 15.328 -6.812 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.874 16.776 -6.710 1.00 74.20 C ATOM 1303 C ASN A 74 -7.146 17.224 -5.441 1.00 51.40 C ATOM 1304 O ASN A 74 -6.705 16.394 -4.647 1.00 1.13 O ATOM 1305 CB ASN A 74 -9.321 17.263 -6.621 1.00 44.21 C ATOM 1306 CG ASN A 74 -10.156 16.714 -7.779 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -10.174 17.250 -8.875 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -10.846 15.616 -7.476 1.00 1.30 N ATOM 0 H ASN A 74 -8.669 14.846 -6.536 1.00 35.22 H new ATOM 0 HA ASN A 74 -7.407 17.196 -7.601 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.757 16.949 -5.673 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.343 18.353 -6.636 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -11.434 15.173 -8.181 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -10.786 15.218 -6.539 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.042 18.536 -5.288 1.00 12.11 N ATOM 1316 CA ALA A 75 -6.376 19.105 -4.128 1.00 24.42 C ATOM 1317 C ALA A 75 -7.335 19.090 -2.936 1.00 44.43 C ATOM 1318 O ALA A 75 -6.971 19.507 -1.838 1.00 11.42 O ATOM 1319 CB ALA A 75 -5.882 20.514 -4.463 1.00 14.40 C ATOM 0 H ALA A 75 -7.408 19.222 -5.948 1.00 12.11 H new ATOM 0 HA ALA A 75 -5.504 18.511 -3.856 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -5.383 20.941 -3.593 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -5.181 20.465 -5.296 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -6.730 21.141 -4.738 1.00 14.40 H new ATOM 1325 N ASN A 76 -8.540 18.605 -3.193 1.00 1.33 N ATOM 1326 CA ASN A 76 -9.555 18.531 -2.155 1.00 24.12 C ATOM 1327 C ASN A 76 -9.825 17.063 -1.817 1.00 74.34 C ATOM 1328 O ASN A 76 -10.135 16.733 -0.673 1.00 61.04 O ATOM 1329 CB ASN A 76 -10.868 19.159 -2.622 1.00 13.50 C ATOM 1330 CG ASN A 76 -10.769 20.686 -2.642 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -10.776 21.347 -1.617 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -10.677 21.207 -3.862 1.00 33.55 N ATOM 0 H ASN A 76 -8.837 18.259 -4.105 1.00 1.33 H new ATOM 0 HA ASN A 76 -9.187 19.073 -1.284 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -11.116 18.794 -3.619 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -11.678 18.852 -1.960 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -10.607 22.218 -3.981 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -10.677 20.596 -4.679 1.00 33.55 H new ATOM 1339 N GLN A 77 -9.699 16.222 -2.833 1.00 5.11 N ATOM 1340 CA GLN A 77 -9.927 14.798 -2.659 1.00 23.14 C ATOM 1341 C GLN A 77 -9.224 14.299 -1.394 1.00 75.30 C ATOM 1342 O GLN A 77 -8.154 14.790 -1.041 1.00 22.03 O ATOM 1343 CB GLN A 77 -9.465 14.014 -3.889 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.579 13.103 -4.409 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.314 12.420 -3.253 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -10.560 11.573 -2.559 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.486 12.647 -3.008 1.00 2.12 N flip ATOM 0 H GLN A 77 -9.442 16.500 -3.780 1.00 5.11 H new ATOM 0 HA GLN A 77 -10.998 14.632 -2.545 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -9.161 14.707 -4.673 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -8.590 13.416 -3.636 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -11.285 13.687 -4.999 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -10.157 12.348 -5.072 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -13.008 13.310 -3.581 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.945 12.174 -2.230 1.00 2.12 H new ATOM 1356 N ALA A 78 -9.856 13.330 -0.749 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.305 12.760 0.469 1.00 43.41 C ATOM 1358 C ALA A 78 -8.925 11.299 0.216 1.00 61.31 C ATOM 1359 O ALA A 78 -9.700 10.544 -0.369 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.316 12.909 1.607 1.00 61.34 C ATOM 0 H ALA A 78 -10.744 12.925 -1.046 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.400 13.291 0.765 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.902 12.481 2.520 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.531 13.966 1.766 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.237 12.387 1.347 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.731 10.945 0.668 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.238 9.588 0.498 1.00 50.43 C ATOM 1368 C PHE A 79 -6.281 9.207 1.630 1.00 43.02 C ATOM 1369 O PHE A 79 -5.529 10.047 2.121 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.481 9.551 -0.830 1.00 54.22 C ATOM 1371 CG PHE A 79 -5.507 8.377 -0.958 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.388 8.334 -0.188 1.00 41.31 C ATOM 1373 CD2 PHE A 79 -5.763 7.377 -1.844 1.00 44.31 C ATOM 1374 CE1 PHE A 79 -3.485 7.245 -0.307 1.00 70.15 C ATOM 1375 CE2 PHE A 79 -4.860 6.287 -1.963 1.00 23.15 C ATOM 1376 CZ PHE A 79 -3.740 6.243 -1.193 1.00 20.55 C ATOM 0 H PHE A 79 -7.090 11.574 1.152 1.00 75.54 H new ATOM 0 HA PHE A 79 -8.070 8.884 0.511 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -7.202 9.503 -1.646 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.928 10.483 -0.948 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -4.186 9.129 0.515 1.00 41.31 H new ATOM 0 HD2 PHE A 79 -6.652 7.412 -2.456 1.00 44.31 H new ATOM 0 HE1 PHE A 79 -2.596 7.211 0.305 1.00 70.15 H new ATOM 0 HE2 PHE A 79 -5.063 5.492 -2.666 1.00 23.15 H new ATOM 0 HZ PHE A 79 -3.054 5.414 -1.284 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.341 7.939 2.009 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.488 7.435 3.073 1.00 53.43 C ATOM 1388 C PHE A 80 -5.042 6.000 2.786 1.00 1.31 C ATOM 1389 O PHE A 80 -5.874 5.113 2.602 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.320 7.452 4.357 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.646 8.856 4.870 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.680 9.601 5.474 1.00 23.51 C ATOM 1393 CD2 PHE A 80 -7.899 9.360 4.722 1.00 20.11 C ATOM 1394 CE1 PHE A 80 -5.983 10.903 5.950 1.00 25.31 C ATOM 1395 CE2 PHE A 80 -8.202 10.663 5.198 1.00 2.11 C ATOM 1396 CZ PHE A 80 -7.237 11.408 5.802 1.00 53.22 C ATOM 0 H PHE A 80 -6.967 7.246 1.599 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.594 8.053 3.159 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.252 6.915 4.181 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.782 6.909 5.134 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.683 9.201 5.591 1.00 23.51 H new ATOM 0 HD2 PHE A 80 -8.665 8.769 4.242 1.00 20.11 H new ATOM 0 HE1 PHE A 80 -5.217 11.494 6.430 1.00 25.31 H new ATOM 0 HE2 PHE A 80 -9.198 11.063 5.081 1.00 2.11 H new ATOM 0 HZ PHE A 80 -7.467 12.399 6.164 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.731 5.816 2.757 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.164 4.504 2.496 1.00 10.45 C ATOM 1408 C LEU A 81 -2.996 3.754 3.818 1.00 41.41 C ATOM 1409 O LEU A 81 -2.189 4.146 4.660 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.870 4.631 1.691 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.660 3.588 0.590 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -0.191 3.525 0.168 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -2.192 2.220 1.021 1.00 32.24 C ATOM 0 H LEU A 81 -3.044 6.554 2.910 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.839 3.912 1.878 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.844 5.621 1.236 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.029 4.576 2.382 1.00 51.24 H new ATOM 0 HG LEU A 81 -2.234 3.895 -0.285 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -0.069 2.777 -0.615 1.00 70.10 H new ATOM 0 HD12 LEU A 81 0.121 4.499 -0.209 1.00 70.10 H new ATOM 0 HD13 LEU A 81 0.423 3.255 1.027 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -2.030 1.498 0.221 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.667 1.891 1.918 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -3.259 2.295 1.232 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.771 2.688 3.960 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.717 1.879 5.166 1.00 2.41 C ATOM 1427 C LEU A 82 -2.705 0.749 4.972 1.00 23.30 C ATOM 1428 O LEU A 82 -2.882 -0.106 4.105 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.116 1.392 5.547 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.136 2.482 5.883 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.871 3.072 7.269 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.166 3.560 4.798 1.00 2.33 C ATOM 0 H LEU A 82 -4.439 2.366 3.260 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.371 2.476 6.010 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.509 0.796 4.723 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.027 0.728 6.407 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.126 2.026 5.910 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.610 3.844 7.483 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.941 2.284 8.019 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.872 3.508 7.294 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -6.899 4.322 5.062 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.181 4.019 4.713 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.439 3.109 3.844 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.664 0.781 5.792 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.623 -0.230 5.721 1.00 54.23 C ATOM 1446 C VAL A 83 -1.047 -1.450 6.542 1.00 0.12 C ATOM 1447 O VAL A 83 -1.021 -1.416 7.771 1.00 11.13 O ATOM 1448 CB VAL A 83 0.712 0.361 6.176 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.663 -0.736 6.656 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.352 1.192 5.062 1.00 25.30 C ATOM 0 H VAL A 83 -1.520 1.492 6.509 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.483 -0.562 4.692 1.00 54.23 H new ATOM 0 HB VAL A 83 0.514 1.024 7.018 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.605 -0.288 6.974 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.212 -1.267 7.495 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.851 -1.436 5.842 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.300 1.601 5.412 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.528 0.560 4.192 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.684 2.008 4.788 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.428 -2.500 5.828 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.857 -3.728 6.475 1.00 22.42 C ATOM 1462 C ASN A 84 -3.259 -3.532 7.055 1.00 41.23 C ATOM 1463 O ASN A 84 -3.710 -4.326 7.879 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.918 -4.103 7.623 1.00 70.52 C ATOM 1465 CG ASN A 84 -0.386 -5.528 7.455 1.00 20.31 C ATOM 1466 OD1 ASN A 84 0.866 -5.588 7.012 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -1.067 -6.507 7.711 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.448 -2.525 4.809 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.849 -4.522 5.729 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.084 -3.402 7.659 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.447 -4.018 8.572 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -2.023 -6.390 8.048 1.00 73.33 H new ATOM 0 HD22 ASN A 84 -0.681 -7.443 7.588 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.908 -2.470 6.601 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.250 -2.159 7.065 1.00 4.21 C ATOM 1476 C GLY A 85 -5.216 -1.098 8.168 1.00 61.15 C ATOM 1477 O GLY A 85 -6.258 -0.729 8.711 1.00 20.01 O ATOM 0 H GLY A 85 -3.530 -1.814 5.917 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.854 -1.802 6.231 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.728 -3.064 7.440 1.00 4.21 H new ATOM 1481 N HIS A 86 -4.011 -0.639 8.467 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.828 0.372 9.495 1.00 11.12 C ATOM 1483 C HIS A 86 -3.122 1.591 8.898 1.00 50.33 C ATOM 1484 O HIS A 86 -2.171 1.447 8.131 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.090 -0.208 10.703 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.704 -0.718 10.387 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.655 0.121 10.052 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.205 -1.988 10.363 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.420 -0.622 9.836 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.078 -1.928 10.027 1.00 4.14 N ATOM 0 H HIS A 86 -3.150 -0.948 8.015 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.800 0.702 9.861 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -3.017 0.559 11.474 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.680 -1.024 11.120 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.702 1.138 9.983 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -1.760 -2.889 10.580 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.397 -0.257 9.557 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.704 -2.727 9.928 1.00 4.14 H new ATOM 1498 N SER A 87 -3.615 2.762 9.271 1.00 21.12 N ATOM 1499 CA SER A 87 -3.042 4.005 8.782 1.00 35.33 C ATOM 1500 C SER A 87 -1.556 4.071 9.137 1.00 12.03 C ATOM 1501 O SER A 87 -1.050 3.224 9.872 1.00 44.20 O ATOM 1502 CB SER A 87 -3.780 5.215 9.359 1.00 21.01 C ATOM 1503 OG SER A 87 -4.871 4.829 10.190 1.00 72.54 O ATOM 0 H SER A 87 -4.405 2.877 9.906 1.00 21.12 H new ATOM 0 HA SER A 87 -3.151 4.029 7.698 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.083 5.824 9.935 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.148 5.838 8.544 1.00 21.01 H new ATOM 0 HG SER A 87 -4.527 4.442 11.022 1.00 72.54 H new ATOM 1509 N MET A 88 -0.897 5.087 8.598 1.00 23.44 N ATOM 1510 CA MET A 88 0.522 5.275 8.848 1.00 70.11 C ATOM 1511 C MET A 88 0.772 6.547 9.662 1.00 34.21 C ATOM 1512 O MET A 88 1.824 7.172 9.538 1.00 30.24 O ATOM 1513 CB MET A 88 1.268 5.368 7.515 1.00 23.21 C ATOM 1514 CG MET A 88 0.417 6.077 6.459 1.00 12.04 C ATOM 1515 SD MET A 88 -0.019 7.713 7.024 1.00 73.31 S ATOM 1516 CE MET A 88 -1.731 7.770 6.520 1.00 51.33 C ATOM 0 H MET A 88 -1.320 5.788 7.989 1.00 23.44 H new ATOM 0 HA MET A 88 0.887 4.422 9.420 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.204 5.908 7.655 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.526 4.367 7.168 1.00 23.21 H new ATOM 0 HG2 MET A 88 0.967 6.142 5.520 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.486 5.499 6.260 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.975 8.775 6.175 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.896 7.058 5.711 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.368 7.512 7.366 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.214 6.892 10.478 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.115 8.077 11.312 1.00 62.21 C ATOM 1528 C VAL A 89 1.210 8.047 12.077 1.00 24.13 C ATOM 1529 O VAL A 89 1.530 7.057 12.734 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.334 8.173 12.232 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.353 7.023 13.239 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -1.378 9.527 12.943 1.00 72.21 C ATOM 0 H VAL A 89 -1.085 6.371 10.579 1.00 62.44 H new ATOM 0 HA VAL A 89 -0.116 8.978 10.698 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.228 8.090 11.614 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -2.229 7.115 13.880 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -1.392 6.073 12.706 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -0.451 7.059 13.850 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -2.254 9.570 13.591 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -0.477 9.652 13.543 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -1.435 10.325 12.203 1.00 72.21 H new ATOM 1542 N SER A 90 1.944 9.144 11.968 1.00 43.15 N ATOM 1543 CA SER A 90 3.227 9.256 12.642 1.00 5.54 C ATOM 1544 C SER A 90 4.331 8.661 11.767 1.00 40.34 C ATOM 1545 O SER A 90 5.412 8.338 12.259 1.00 35.33 O ATOM 1546 CB SER A 90 3.196 8.561 14.005 1.00 14.32 C ATOM 1547 OG SER A 90 1.966 8.783 14.689 1.00 2.52 O ATOM 0 H SER A 90 1.675 9.963 11.423 1.00 43.15 H new ATOM 0 HA SER A 90 3.435 10.313 12.809 1.00 5.54 H new ATOM 0 HB2 SER A 90 3.347 7.490 13.870 1.00 14.32 H new ATOM 0 HB3 SER A 90 4.022 8.925 14.616 1.00 14.32 H new ATOM 0 HG SER A 90 1.985 8.322 15.554 1.00 2.52 H new ATOM 1553 N VAL A 91 4.022 8.533 10.485 1.00 73.43 N ATOM 1554 CA VAL A 91 4.975 7.982 9.536 1.00 23.12 C ATOM 1555 C VAL A 91 6.381 8.475 9.888 1.00 2.11 C ATOM 1556 O VAL A 91 6.732 9.617 9.597 1.00 34.04 O ATOM 1557 CB VAL A 91 4.557 8.336 8.109 1.00 41.51 C ATOM 1558 CG1 VAL A 91 3.806 9.668 8.072 1.00 4.23 C ATOM 1559 CG2 VAL A 91 5.767 8.363 7.173 1.00 15.53 C ATOM 0 H VAL A 91 3.125 8.801 10.081 1.00 73.43 H new ATOM 0 HA VAL A 91 4.988 6.894 9.595 1.00 23.12 H new ATOM 0 HB VAL A 91 3.879 7.559 7.757 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.520 9.896 7.045 1.00 4.23 H new ATOM 0 HG12 VAL A 91 2.911 9.599 8.691 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.451 10.460 8.454 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.441 8.617 6.164 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.481 9.109 7.523 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.242 7.382 7.164 1.00 15.53 H new ATOM 1569 N SER A 92 7.146 7.589 10.507 1.00 1.13 N ATOM 1570 CA SER A 92 8.506 7.919 10.900 1.00 51.40 C ATOM 1571 C SER A 92 9.436 6.741 10.607 1.00 74.42 C ATOM 1572 O SER A 92 10.505 6.626 11.204 1.00 22.05 O ATOM 1573 CB SER A 92 8.574 8.294 12.382 1.00 12.45 C ATOM 1574 OG SER A 92 9.746 9.045 12.689 1.00 11.51 O ATOM 0 H SER A 92 6.851 6.643 10.746 1.00 1.13 H new ATOM 0 HA SER A 92 8.831 8.782 10.319 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.691 8.874 12.650 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.556 7.387 12.987 1.00 12.45 H new ATOM 0 HG SER A 92 10.534 8.581 12.336 1.00 11.51 H new ATOM 1580 N THR A 93 8.996 5.895 9.688 1.00 61.14 N ATOM 1581 CA THR A 93 9.776 4.729 9.308 1.00 63.22 C ATOM 1582 C THR A 93 9.932 4.664 7.788 1.00 21.35 C ATOM 1583 O THR A 93 9.024 5.044 7.050 1.00 40.15 O ATOM 1584 CB THR A 93 9.100 3.493 9.903 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.402 3.566 11.294 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.758 2.189 9.448 1.00 72.01 C ATOM 0 H THR A 93 8.109 5.993 9.195 1.00 61.14 H new ATOM 0 HA THR A 93 10.790 4.785 9.705 1.00 63.22 H new ATOM 0 HB THR A 93 8.047 3.486 9.622 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.999 2.802 11.757 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.240 1.343 9.899 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.701 2.112 8.362 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.803 2.181 9.758 1.00 72.01 H new ATOM 1594 N PRO A 94 11.121 4.167 7.352 1.00 14.14 N ATOM 1595 CA PRO A 94 11.407 4.047 5.934 1.00 74.20 C ATOM 1596 C PRO A 94 10.650 2.868 5.319 1.00 15.02 C ATOM 1597 O PRO A 94 10.522 1.815 5.942 1.00 45.33 O ATOM 1598 CB PRO A 94 12.917 3.892 5.848 1.00 44.34 C ATOM 1599 CG PRO A 94 13.371 3.466 7.235 1.00 22.42 C ATOM 1600 CD PRO A 94 12.220 3.708 8.197 1.00 54.04 C ATOM 0 HA PRO A 94 11.076 4.915 5.364 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.191 3.147 5.101 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.390 4.829 5.553 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.655 2.414 7.237 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.250 4.034 7.540 1.00 22.42 H new ATOM 0 HD2 PRO A 94 11.954 2.797 8.733 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.481 4.454 8.947 1.00 54.04 H new ATOM 1608 N ILE A 95 10.168 3.084 4.104 1.00 43.23 N ATOM 1609 CA ILE A 95 9.427 2.053 3.398 1.00 11.34 C ATOM 1610 C ILE A 95 10.228 0.749 3.420 1.00 4.52 C ATOM 1611 O ILE A 95 9.663 -0.333 3.273 1.00 11.01 O ATOM 1612 CB ILE A 95 9.061 2.526 1.989 1.00 53.24 C ATOM 1613 CG1 ILE A 95 7.877 1.729 1.434 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.274 2.471 1.059 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.695 2.649 1.122 1.00 23.35 C ATOM 0 H ILE A 95 10.276 3.959 3.590 1.00 43.23 H new ATOM 0 HA ILE A 95 8.480 1.854 3.899 1.00 11.34 H new ATOM 0 HB ILE A 95 8.749 3.569 2.049 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.181 1.202 0.530 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.573 0.972 2.157 1.00 71.40 H new ATOM 0 HG21 ILE A 95 9.986 2.812 0.065 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.062 3.115 1.450 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.640 1.446 0.999 1.00 74.51 H new ATOM 0 HD11 ILE A 95 5.868 2.058 0.729 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.378 3.156 2.033 1.00 23.35 H new ATOM 0 HD13 ILE A 95 6.996 3.389 0.381 1.00 23.35 H new ATOM 1627 N SER A 96 11.531 0.897 3.607 1.00 11.42 N ATOM 1628 CA SER A 96 12.416 -0.255 3.649 1.00 51.52 C ATOM 1629 C SER A 96 12.123 -1.093 4.896 1.00 41.31 C ATOM 1630 O SER A 96 12.136 -2.322 4.840 1.00 24.42 O ATOM 1631 CB SER A 96 13.884 0.176 3.634 1.00 73.11 C ATOM 1632 OG SER A 96 14.342 0.557 4.929 1.00 50.12 O ATOM 0 H SER A 96 11.995 1.797 3.731 1.00 11.42 H new ATOM 0 HA SER A 96 12.234 -0.859 2.760 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.498 -0.642 3.258 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.010 1.011 2.945 1.00 73.11 H new ATOM 0 HG SER A 96 15.284 0.824 4.878 1.00 50.12 H new ATOM 1638 N GLU A 97 11.862 -0.395 5.991 1.00 73.25 N ATOM 1639 CA GLU A 97 11.566 -1.060 7.250 1.00 22.40 C ATOM 1640 C GLU A 97 10.077 -1.403 7.330 1.00 74.43 C ATOM 1641 O GLU A 97 9.714 -2.553 7.572 1.00 53.53 O ATOM 1642 CB GLU A 97 11.995 -0.199 8.438 1.00 24.31 C ATOM 1643 CG GLU A 97 13.520 -0.155 8.562 1.00 14.32 C ATOM 1644 CD GLU A 97 13.944 0.314 9.955 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.917 -0.212 10.517 1.00 33.11 O ATOM 1646 OE2 GLU A 97 13.225 1.261 10.454 1.00 21.14 O ATOM 0 H GLU A 97 11.849 0.624 6.033 1.00 73.25 H new ATOM 0 HA GLU A 97 12.136 -1.988 7.292 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.607 0.812 8.317 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.563 -0.598 9.356 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.933 -1.145 8.366 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.930 0.516 7.808 1.00 14.32 H new ATOM 1654 N VAL A 98 9.255 -0.385 7.123 1.00 73.03 N ATOM 1655 CA VAL A 98 7.814 -0.564 7.169 1.00 14.31 C ATOM 1656 C VAL A 98 7.442 -1.854 6.437 1.00 14.23 C ATOM 1657 O VAL A 98 6.481 -2.527 6.806 1.00 62.31 O ATOM 1658 CB VAL A 98 7.115 0.671 6.598 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.718 0.320 6.082 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.050 1.794 7.635 1.00 53.40 C ATOM 0 H VAL A 98 9.560 0.568 6.923 1.00 73.03 H new ATOM 0 HA VAL A 98 7.474 -0.665 8.200 1.00 14.31 H new ATOM 0 HB VAL A 98 7.705 1.029 5.754 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.243 1.215 5.681 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.798 -0.431 5.296 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.116 -0.075 6.901 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.548 2.660 7.203 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.495 1.451 8.508 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.061 2.072 7.934 1.00 53.40 H new ATOM 1670 N TYR A 99 8.222 -2.162 5.410 1.00 23.41 N ATOM 1671 CA TYR A 99 7.986 -3.359 4.622 1.00 72.23 C ATOM 1672 C TYR A 99 8.516 -4.601 5.341 1.00 41.42 C ATOM 1673 O TYR A 99 7.801 -5.593 5.484 1.00 44.51 O ATOM 1674 CB TYR A 99 8.765 -3.167 3.320 1.00 73.42 C ATOM 1675 CG TYR A 99 9.060 -4.469 2.574 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.184 -5.206 2.889 1.00 72.44 C ATOM 1677 CD2 TYR A 99 8.203 -4.909 1.585 1.00 10.12 C ATOM 1678 CE1 TYR A 99 10.462 -6.432 2.186 1.00 65.15 C ATOM 1679 CE2 TYR A 99 8.481 -6.134 0.883 1.00 13.41 C ATOM 1680 CZ TYR A 99 9.597 -6.836 1.218 1.00 12.34 C ATOM 1681 OH TYR A 99 9.859 -7.993 0.555 1.00 34.03 O ATOM 0 H TYR A 99 9.019 -1.602 5.106 1.00 23.41 H new ATOM 0 HA TYR A 99 6.919 -3.503 4.453 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.199 -2.505 2.664 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.707 -2.666 3.543 1.00 73.42 H new ATOM 0 HD1 TYR A 99 10.855 -4.863 3.663 1.00 72.44 H new ATOM 0 HD2 TYR A 99 7.323 -4.333 1.338 1.00 10.12 H new ATOM 0 HE1 TYR A 99 11.338 -7.017 2.423 1.00 65.15 H new ATOM 0 HE2 TYR A 99 7.818 -6.488 0.107 1.00 13.41 H new ATOM 0 HH TYR A 99 9.241 -8.085 -0.200 1.00 34.03 H new ATOM 1691 N GLU A 100 9.765 -4.508 5.775 1.00 24.12 N ATOM 1692 CA GLU A 100 10.398 -5.612 6.475 1.00 10.14 C ATOM 1693 C GLU A 100 9.802 -5.764 7.876 1.00 24.24 C ATOM 1694 O GLU A 100 10.141 -6.699 8.600 1.00 64.34 O ATOM 1695 CB GLU A 100 11.914 -5.420 6.543 1.00 52.12 C ATOM 1696 CG GLU A 100 12.302 -4.523 7.720 1.00 41.55 C ATOM 1697 CD GLU A 100 13.649 -3.841 7.471 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.501 -3.805 8.371 1.00 23.53 O ATOM 1699 OE2 GLU A 100 13.797 -3.340 6.292 1.00 74.24 O ATOM 0 H GLU A 100 10.355 -3.685 5.655 1.00 24.12 H new ATOM 0 HA GLU A 100 10.205 -6.529 5.918 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.403 -6.389 6.644 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.270 -4.979 5.612 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.532 -3.768 7.875 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.355 -5.117 8.632 1.00 41.55 H new ATOM 1707 N SER A 101 8.924 -4.832 8.215 1.00 23.43 N ATOM 1708 CA SER A 101 8.277 -4.850 9.517 1.00 33.22 C ATOM 1709 C SER A 101 6.800 -5.216 9.361 1.00 63.15 C ATOM 1710 O SER A 101 6.093 -5.393 10.351 1.00 0.10 O ATOM 1711 CB SER A 101 8.418 -3.500 10.221 1.00 23.11 C ATOM 1712 OG SER A 101 9.645 -3.399 10.940 1.00 11.13 O ATOM 0 H SER A 101 8.645 -4.059 7.611 1.00 23.43 H new ATOM 0 HA SER A 101 8.769 -5.603 10.133 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.363 -2.699 9.484 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.583 -3.360 10.907 1.00 23.11 H new ATOM 0 HG SER A 101 9.698 -2.522 11.374 1.00 11.13 H new ATOM 1718 N GLU A 102 6.377 -5.318 8.110 1.00 74.03 N ATOM 1719 CA GLU A 102 4.996 -5.659 7.812 1.00 73.55 C ATOM 1720 C GLU A 102 4.939 -6.845 6.847 1.00 44.54 C ATOM 1721 O GLU A 102 4.364 -7.884 7.167 1.00 34.43 O ATOM 1722 CB GLU A 102 4.244 -4.454 7.243 1.00 0.30 C ATOM 1723 CG GLU A 102 3.935 -3.434 8.341 1.00 75.10 C ATOM 1724 CD GLU A 102 2.776 -3.908 9.220 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.299 -5.041 9.058 1.00 30.04 O ATOM 1726 OE2 GLU A 102 2.373 -3.053 10.098 1.00 73.01 O ATOM 0 H GLU A 102 6.966 -5.171 7.291 1.00 74.03 H new ATOM 0 HA GLU A 102 4.505 -5.947 8.741 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.841 -3.984 6.462 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.316 -4.786 6.778 1.00 0.30 H new ATOM 0 HG2 GLU A 102 4.821 -3.276 8.956 1.00 75.10 H new ATOM 0 HG3 GLU A 102 3.685 -2.474 7.890 1.00 75.10 H new ATOM 1734 N ARG A 103 5.544 -6.651 5.683 1.00 73.01 N ATOM 1735 CA ARG A 103 5.569 -7.692 4.669 1.00 11.32 C ATOM 1736 C ARG A 103 5.753 -9.064 5.322 1.00 10.30 C ATOM 1737 O ARG A 103 6.285 -9.163 6.427 1.00 22.34 O ATOM 1738 CB ARG A 103 6.699 -7.455 3.666 1.00 73.24 C ATOM 1739 CG ARG A 103 8.049 -7.872 4.253 1.00 1.11 C ATOM 1740 CD ARG A 103 8.400 -9.308 3.858 1.00 64.23 C ATOM 1741 NE ARG A 103 9.849 -9.418 3.585 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.545 -10.574 3.642 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.926 -11.731 3.961 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.838 -10.557 3.379 1.00 53.31 N ATOM 0 H ARG A 103 6.020 -5.788 5.420 1.00 73.01 H new ATOM 0 HA ARG A 103 4.617 -7.663 4.139 1.00 11.32 H new ATOM 0 HB2 ARG A 103 6.505 -8.019 2.754 1.00 73.24 H new ATOM 0 HB3 ARG A 103 6.729 -6.401 3.388 1.00 73.24 H new ATOM 0 HG2 ARG A 103 8.827 -7.194 3.902 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.019 -7.787 5.339 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.119 -9.993 4.658 1.00 64.23 H new ATOM 0 HD3 ARG A 103 7.832 -9.600 2.975 1.00 64.23 H new ATOM 0 HE ARG A 103 10.355 -8.567 3.338 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.926 -11.736 4.161 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.459 -12.600 4.002 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.298 -9.679 3.137 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.378 -11.422 3.418 1.00 53.31 H new ATOM 1757 N ASP A 104 5.304 -10.087 4.611 1.00 3.22 N ATOM 1758 CA ASP A 104 5.412 -11.448 5.106 1.00 24.23 C ATOM 1759 C ASP A 104 6.462 -12.203 4.287 1.00 52.11 C ATOM 1760 O ASP A 104 7.096 -11.627 3.404 1.00 14.33 O ATOM 1761 CB ASP A 104 4.083 -12.192 4.972 1.00 21.34 C ATOM 1762 CG ASP A 104 3.785 -13.194 6.089 1.00 33.24 C ATOM 1763 OD1 ASP A 104 3.637 -14.401 5.842 1.00 13.53 O ATOM 1764 OD2 ASP A 104 3.706 -12.683 7.271 1.00 12.42 O ATOM 0 H ASP A 104 4.864 -10.000 3.695 1.00 3.22 H new ATOM 0 HA ASP A 104 5.693 -11.401 6.158 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.276 -11.460 4.937 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.075 -12.721 4.019 1.00 21.34 H new ATOM 1770 N GLU A 105 6.612 -13.480 4.607 1.00 4.45 N ATOM 1771 CA GLU A 105 7.573 -14.319 3.912 1.00 23.41 C ATOM 1772 C GLU A 105 7.395 -14.186 2.398 1.00 43.50 C ATOM 1773 O GLU A 105 8.324 -14.447 1.636 1.00 71.12 O ATOM 1774 CB GLU A 105 7.446 -15.778 4.353 1.00 74.25 C ATOM 1775 CG GLU A 105 7.727 -15.924 5.850 1.00 61.33 C ATOM 1776 CD GLU A 105 8.191 -17.344 6.185 1.00 54.43 C ATOM 1777 OE1 GLU A 105 9.185 -17.820 5.617 1.00 41.24 O ATOM 1778 OE2 GLU A 105 7.480 -17.956 7.070 1.00 31.11 O ATOM 0 H GLU A 105 6.083 -13.954 5.339 1.00 4.45 H new ATOM 0 HA GLU A 105 8.576 -13.982 4.172 1.00 23.41 H new ATOM 0 HB2 GLU A 105 6.443 -16.143 4.130 1.00 74.25 H new ATOM 0 HB3 GLU A 105 8.143 -16.395 3.786 1.00 74.25 H new ATOM 0 HG2 GLU A 105 8.491 -15.207 6.152 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.827 -15.688 6.417 1.00 61.33 H new ATOM 1786 N ASP A 106 6.195 -13.780 2.009 1.00 14.21 N ATOM 1787 CA ASP A 106 5.884 -13.609 0.599 1.00 71.01 C ATOM 1788 C ASP A 106 6.833 -12.575 -0.007 1.00 12.41 C ATOM 1789 O ASP A 106 7.403 -12.799 -1.073 1.00 41.35 O ATOM 1790 CB ASP A 106 4.451 -13.107 0.409 1.00 4.22 C ATOM 1791 CG ASP A 106 3.949 -12.159 1.499 1.00 72.31 C ATOM 1792 OD1 ASP A 106 2.890 -12.385 2.104 1.00 41.53 O ATOM 1793 OD2 ASP A 106 4.703 -11.137 1.724 1.00 55.23 O ATOM 0 H ASP A 106 5.427 -13.565 2.645 1.00 14.21 H new ATOM 0 HA ASP A 106 5.995 -14.576 0.109 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.385 -12.598 -0.553 1.00 4.22 H new ATOM 0 HB3 ASP A 106 3.784 -13.968 0.361 1.00 4.22 H new ATOM 1799 N GLY A 107 6.973 -11.463 0.700 1.00 33.44 N ATOM 1800 CA GLY A 107 7.844 -10.392 0.245 1.00 23.13 C ATOM 1801 C GLY A 107 7.040 -9.282 -0.435 1.00 31.21 C ATOM 1802 O GLY A 107 7.608 -8.413 -1.094 1.00 13.31 O ATOM 0 H GLY A 107 6.498 -11.280 1.584 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.394 -9.981 1.092 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.582 -10.790 -0.451 1.00 23.13 H new ATOM 1806 N PHE A 108 5.729 -9.348 -0.252 1.00 52.33 N ATOM 1807 CA PHE A 108 4.841 -8.360 -0.839 1.00 14.14 C ATOM 1808 C PHE A 108 4.045 -7.627 0.242 1.00 21.33 C ATOM 1809 O PHE A 108 3.423 -8.257 1.097 1.00 22.32 O ATOM 1810 CB PHE A 108 3.868 -9.115 -1.747 1.00 51.42 C ATOM 1811 CG PHE A 108 4.107 -8.889 -3.241 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.179 -7.623 -3.733 1.00 32.51 C ATOM 1813 CD2 PHE A 108 4.247 -9.952 -4.077 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.401 -7.412 -5.120 1.00 73.31 C ATOM 1815 CE2 PHE A 108 4.468 -9.741 -5.464 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.539 -8.475 -5.956 1.00 4.21 C ATOM 0 H PHE A 108 5.261 -10.071 0.295 1.00 52.33 H new ATOM 0 HA PHE A 108 5.421 -7.620 -1.390 1.00 14.14 H new ATOM 0 HB2 PHE A 108 3.943 -10.182 -1.535 1.00 51.42 H new ATOM 0 HB3 PHE A 108 2.850 -8.812 -1.503 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.067 -6.778 -3.069 1.00 32.51 H new ATOM 0 HD2 PHE A 108 4.190 -10.957 -3.686 1.00 14.11 H new ATOM 0 HE1 PHE A 108 4.460 -6.407 -5.510 1.00 73.31 H new ATOM 0 HE2 PHE A 108 4.580 -10.586 -6.128 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.705 -8.314 -7.011 1.00 4.21 H new ATOM 1826 N LEU A 109 4.090 -6.304 0.170 1.00 21.41 N ATOM 1827 CA LEU A 109 3.380 -5.478 1.133 1.00 35.21 C ATOM 1828 C LEU A 109 1.906 -5.390 0.733 1.00 20.13 C ATOM 1829 O LEU A 109 1.582 -5.335 -0.452 1.00 53.12 O ATOM 1830 CB LEU A 109 4.061 -4.115 1.273 1.00 71.00 C ATOM 1831 CG LEU A 109 4.803 -3.869 2.590 1.00 51.53 C ATOM 1832 CD1 LEU A 109 5.206 -2.399 2.724 1.00 10.31 C ATOM 1833 CD2 LEU A 109 3.974 -4.348 3.783 1.00 53.35 C ATOM 0 H LEU A 109 4.607 -5.784 -0.539 1.00 21.41 H new ATOM 0 HA LEU A 109 3.416 -5.931 2.124 1.00 35.21 H new ATOM 0 HB2 LEU A 109 4.769 -3.998 0.452 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.305 -3.339 1.154 1.00 71.00 H new ATOM 0 HG LEU A 109 5.722 -4.455 2.581 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.731 -2.250 3.667 1.00 10.31 H new ATOM 0 HD12 LEU A 109 5.861 -2.124 1.897 1.00 10.31 H new ATOM 0 HD13 LEU A 109 4.313 -1.774 2.703 1.00 10.31 H new ATOM 0 HD21 LEU A 109 4.523 -4.162 4.706 1.00 53.35 H new ATOM 0 HD22 LEU A 109 3.028 -3.808 3.809 1.00 53.35 H new ATOM 0 HD23 LEU A 109 3.780 -5.416 3.686 1.00 53.35 H new ATOM 1845 N TYR A 110 1.052 -5.379 1.746 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.381 -5.299 1.517 1.00 32.34 C ATOM 1847 C TYR A 110 -0.977 -4.068 2.201 1.00 41.52 C ATOM 1848 O TYR A 110 -1.093 -4.028 3.425 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.980 -6.558 2.145 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.491 -7.863 1.514 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -1.163 -8.403 0.436 1.00 40.13 C ATOM 1852 CD2 TYR A 110 0.623 -8.500 2.022 1.00 65.35 C ATOM 1853 CE1 TYR A 110 -0.703 -9.631 -0.159 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.084 -9.728 1.427 1.00 23.30 C ATOM 1855 CZ TYR A 110 0.398 -10.233 0.366 1.00 64.21 C ATOM 1856 OH TYR A 110 0.833 -11.393 -0.195 1.00 75.44 O ATOM 0 H TYR A 110 1.325 -5.424 2.728 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.596 -5.222 0.451 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.742 -6.569 3.209 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -2.066 -6.511 2.062 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -2.034 -7.904 0.038 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.149 -8.078 2.865 1.00 65.35 H new ATOM 0 HE1 TYR A 110 -1.220 -10.064 -1.002 1.00 12.12 H new ATOM 0 HE2 TYR A 110 1.955 -10.236 1.814 1.00 23.30 H new ATOM 0 HH TYR A 110 1.478 -11.824 0.404 1.00 75.44 H new ATOM 1866 N MET A 111 -1.341 -3.092 1.381 1.00 11.54 N ATOM 1867 CA MET A 111 -1.924 -1.864 1.892 1.00 54.55 C ATOM 1868 C MET A 111 -3.232 -1.535 1.170 1.00 15.42 C ATOM 1869 O MET A 111 -3.331 -1.693 -0.046 1.00 64.01 O ATOM 1870 CB MET A 111 -0.933 -0.713 1.703 1.00 60.14 C ATOM 1871 CG MET A 111 0.488 -1.147 2.068 1.00 4.13 C ATOM 1872 SD MET A 111 1.563 0.277 2.132 1.00 11.21 S ATOM 1873 CE MET A 111 2.909 -0.307 1.115 1.00 41.54 C ATOM 0 H MET A 111 -1.243 -3.128 0.366 1.00 11.54 H new ATOM 0 HA MET A 111 -2.141 -2.000 2.952 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.958 -0.373 0.668 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.230 0.132 2.324 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.486 -1.655 3.032 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.859 -1.861 1.333 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.813 0.255 1.350 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.080 -1.366 1.310 1.00 41.54 H new ATOM 0 HE3 MET A 111 2.658 -0.168 0.064 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.204 -1.084 1.950 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.502 -0.732 1.400 1.00 51.41 C ATOM 1885 C VAL A 112 -5.733 0.771 1.570 1.00 34.21 C ATOM 1886 O VAL A 112 -5.713 1.283 2.688 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.595 -1.582 2.054 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.949 -0.873 1.994 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.671 -2.966 1.407 1.00 14.04 C ATOM 0 H VAL A 112 -4.118 -0.954 2.958 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.535 -0.947 0.332 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.334 -1.716 3.104 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.708 -1.498 2.465 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.885 0.079 2.521 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.221 -0.695 0.954 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.455 -3.550 1.889 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.898 -2.860 0.346 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.714 -3.475 1.524 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.945 1.435 0.443 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.179 2.870 0.454 1.00 64.13 C ATOM 1901 C TYR A 113 -7.655 3.186 0.208 1.00 45.34 C ATOM 1902 O TYR A 113 -8.370 2.393 -0.402 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.348 3.440 -0.698 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.027 3.338 -2.065 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.044 4.211 -2.398 1.00 73.00 C ATOM 1906 CD2 TYR A 113 -5.624 2.374 -2.966 1.00 33.02 C ATOM 1907 CE1 TYR A 113 -7.682 4.115 -3.684 1.00 24.44 C ATOM 1908 CE2 TYR A 113 -6.263 2.277 -4.253 1.00 63.43 C ATOM 1909 CZ TYR A 113 -7.260 3.153 -4.548 1.00 23.23 C ATOM 1910 OH TYR A 113 -7.864 3.062 -5.763 1.00 43.21 O ATOM 0 H TYR A 113 -5.960 1.007 -0.483 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.905 3.297 1.419 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.128 4.487 -0.490 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.393 2.916 -0.738 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.360 4.966 -1.693 1.00 73.00 H new ATOM 0 HD2 TYR A 113 -4.829 1.691 -2.706 1.00 33.02 H new ATOM 0 HE1 TYR A 113 -8.478 4.792 -3.957 1.00 24.44 H new ATOM 0 HE2 TYR A 113 -5.957 1.526 -4.967 1.00 63.43 H new ATOM 0 HH TYR A 113 -8.190 3.946 -6.033 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.068 4.347 0.694 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.445 4.779 0.534 1.00 1.44 C ATOM 1922 C ALA A 114 -9.608 6.182 1.122 1.00 2.12 C ATOM 1923 O ALA A 114 -8.654 6.753 1.648 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.379 3.760 1.191 1.00 12.02 C ATOM 0 H ALA A 114 -7.472 5.002 1.199 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.710 4.832 -0.522 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.413 4.084 1.071 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.246 2.787 0.718 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -10.144 3.682 2.252 1.00 12.02 H new ATOM 1930 N SER A 115 -10.823 6.698 1.013 1.00 54.31 N ATOM 1931 CA SER A 115 -11.123 8.024 1.527 1.00 61.52 C ATOM 1932 C SER A 115 -11.534 7.935 2.998 1.00 53.55 C ATOM 1933 O SER A 115 -12.376 8.703 3.459 1.00 63.34 O ATOM 1934 CB SER A 115 -12.225 8.696 0.707 1.00 1.23 C ATOM 1935 OG SER A 115 -12.594 9.963 1.246 1.00 60.44 O ATOM 0 H SER A 115 -11.612 6.222 0.576 1.00 54.31 H new ATOM 0 HA SER A 115 -10.224 8.634 1.445 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.885 8.824 -0.321 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.100 8.047 0.675 1.00 1.23 H new ATOM 0 HG SER A 115 -12.788 9.868 2.202 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.921 6.988 3.694 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.212 6.788 5.103 1.00 53.23 C ATOM 1943 C GLN A 116 -9.982 6.237 5.827 1.00 50.42 C ATOM 1944 O GLN A 116 -9.433 5.210 5.432 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.417 5.863 5.288 1.00 2.11 C ATOM 1946 CG GLN A 116 -11.986 4.395 5.288 1.00 21.34 C ATOM 1947 CD GLN A 116 -13.176 3.474 5.013 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -14.270 3.782 5.705 1.00 62.34 O flip ATOM 1949 NE2 GLN A 116 -13.107 2.544 4.225 1.00 55.11 N flip ATOM 0 H GLN A 116 -10.224 6.351 3.308 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.465 7.753 5.542 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.920 6.098 6.226 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -13.138 6.034 4.488 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -11.218 4.238 4.531 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.541 4.143 6.251 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -12.236 2.362 3.726 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -13.920 1.949 4.066 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.586 6.945 6.875 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.431 6.539 7.658 1.00 34.21 C ATOM 1960 C GLU A 117 -8.875 5.994 9.017 1.00 42.32 C ATOM 1961 O GLU A 117 -8.060 5.477 9.779 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.449 7.700 7.828 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.656 7.562 9.128 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.629 8.689 9.267 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.445 8.421 9.516 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -6.101 9.878 9.107 1.00 14.44 O ATOM 0 H GLU A 117 -10.044 7.797 7.200 1.00 13.30 H new ATOM 0 HA GLU A 117 -7.914 5.744 7.121 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.763 7.728 6.981 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.994 8.644 7.829 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.338 7.580 9.978 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.148 6.598 9.148 1.00 44.23 H new ATOM 1974 N THR A 118 -10.167 6.128 9.279 1.00 32.30 N ATOM 1975 CA THR A 118 -10.729 5.655 10.533 1.00 34.24 C ATOM 1976 C THR A 118 -12.074 4.968 10.288 1.00 33.31 C ATOM 1977 O THR A 118 -13.126 5.530 10.588 1.00 43.32 O ATOM 1978 CB THR A 118 -10.821 6.846 11.488 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.657 7.777 10.805 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.488 7.583 11.636 1.00 11.22 C ATOM 0 H THR A 118 -10.841 6.557 8.645 1.00 32.30 H new ATOM 0 HA THR A 118 -10.092 4.899 10.993 1.00 34.24 H new ATOM 0 HB THR A 118 -11.156 6.500 12.466 1.00 61.45 H new ATOM 0 HG1 THR A 118 -12.456 7.317 10.473 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.609 8.419 12.325 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.735 6.898 12.026 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.169 7.957 10.663 1.00 11.22 H new ATOM 1988 N PHE A 119 -11.995 3.762 9.745 1.00 75.13 N ATOM 1989 CA PHE A 119 -13.193 2.991 9.457 1.00 65.24 C ATOM 1990 C PHE A 119 -13.482 1.989 10.575 1.00 62.50 C ATOM 1991 O PHE A 119 -14.639 1.668 10.843 1.00 23.21 O ATOM 1992 CB PHE A 119 -12.931 2.227 8.158 1.00 51.32 C ATOM 1993 CG PHE A 119 -11.647 1.395 8.173 1.00 24.22 C ATOM 1994 CD1 PHE A 119 -10.470 1.952 7.780 1.00 71.14 C ATOM 1995 CD2 PHE A 119 -11.682 0.098 8.581 1.00 35.43 C ATOM 1996 CE1 PHE A 119 -9.279 1.180 7.795 1.00 72.22 C ATOM 1997 CE2 PHE A 119 -10.490 -0.675 8.596 1.00 64.44 C ATOM 1998 CZ PHE A 119 -9.314 -0.116 8.202 1.00 71.41 C ATOM 0 H PHE A 119 -11.120 3.300 9.497 1.00 75.13 H new ATOM 0 HA PHE A 119 -14.052 3.656 9.372 1.00 65.24 H new ATOM 0 HB2 PHE A 119 -13.776 1.568 7.959 1.00 51.32 H new ATOM 0 HB3 PHE A 119 -12.881 2.939 7.334 1.00 51.32 H new ATOM 0 HD1 PHE A 119 -10.442 2.982 7.456 1.00 71.14 H new ATOM 0 HD2 PHE A 119 -12.616 -0.344 8.894 1.00 35.43 H new ATOM 0 HE1 PHE A 119 -8.345 1.623 7.483 1.00 72.22 H new ATOM 0 HE2 PHE A 119 -10.517 -1.705 8.920 1.00 64.44 H new ATOM 0 HZ PHE A 119 -8.407 -0.703 8.213 1.00 71.41 H new ATOM 2008 N GLY A 120 -12.411 1.521 11.200 1.00 23.42 N ATOM 2009 CA GLY A 120 -12.535 0.561 12.283 1.00 75.54 C ATOM 2010 C GLY A 120 -13.741 0.884 13.166 1.00 62.20 C ATOM 2011 O GLY A 120 -14.590 0.026 13.402 1.00 22.03 O ATOM 0 H GLY A 120 -11.453 1.789 10.976 1.00 23.42 H new ATOM 0 HA2 GLY A 120 -12.639 -0.444 11.873 1.00 75.54 H new ATOM 0 HA3 GLY A 120 -11.627 0.567 12.885 1.00 75.54 H new TER 2015 GLY A 120 ATOM 2016 N MET B 331 -3.968 -11.185 -22.574 1.00 41.43 N ATOM 2017 CA MET B 331 -3.990 -12.335 -21.686 1.00 14.21 C ATOM 2018 C MET B 331 -2.584 -12.664 -21.181 1.00 62.23 C ATOM 2019 O MET B 331 -2.392 -13.643 -20.462 1.00 54.13 O ATOM 2020 CB MET B 331 -4.560 -13.544 -22.430 1.00 42.31 C ATOM 2021 CG MET B 331 -6.072 -13.407 -22.620 1.00 43.21 C ATOM 2022 SD MET B 331 -6.929 -14.112 -21.222 1.00 31.54 S ATOM 2023 CE MET B 331 -8.548 -13.397 -21.458 1.00 4.21 C ATOM 0 HA MET B 331 -4.618 -12.096 -20.828 1.00 14.21 H new ATOM 0 HB2 MET B 331 -4.075 -13.640 -23.401 1.00 42.31 H new ATOM 0 HB3 MET B 331 -4.341 -14.455 -21.873 1.00 42.31 H new ATOM 0 HG2 MET B 331 -6.339 -12.356 -22.729 1.00 43.21 H new ATOM 0 HG3 MET B 331 -6.379 -13.910 -23.537 1.00 43.21 H new ATOM 0 HE1 MET B 331 -9.215 -13.736 -20.665 1.00 4.21 H new ATOM 0 HE2 MET B 331 -8.473 -12.310 -21.429 1.00 4.21 H new ATOM 0 HE3 MET B 331 -8.946 -13.708 -22.424 1.00 4.21 H new ATOM 2034 N SER B 332 -1.637 -11.826 -21.575 1.00 34.14 N ATOM 2035 CA SER B 332 -0.254 -12.015 -21.172 1.00 51.00 C ATOM 2036 C SER B 332 0.051 -11.166 -19.935 1.00 31.33 C ATOM 2037 O SER B 332 -0.762 -10.335 -19.533 1.00 65.52 O ATOM 2038 CB SER B 332 0.706 -11.659 -22.309 1.00 43.13 C ATOM 2039 OG SER B 332 0.257 -10.530 -23.053 1.00 61.41 O ATOM 0 H SER B 332 -1.800 -11.014 -22.170 1.00 34.14 H new ATOM 0 HA SER B 332 -0.110 -13.068 -20.928 1.00 51.00 H new ATOM 0 HB2 SER B 332 1.694 -11.453 -21.898 1.00 43.13 H new ATOM 0 HB3 SER B 332 0.811 -12.515 -22.976 1.00 43.13 H new ATOM 0 HG SER B 332 0.898 -10.334 -23.768 1.00 61.41 H new ATOM 2045 N GLY B 333 1.223 -11.403 -19.368 1.00 3.32 N ATOM 2046 CA GLY B 333 1.646 -10.671 -18.186 1.00 43.01 C ATOM 2047 C GLY B 333 2.499 -9.460 -18.567 1.00 10.30 C ATOM 2048 O GLY B 333 2.071 -8.318 -18.404 1.00 23.54 O ATOM 0 H GLY B 333 1.895 -12.093 -19.705 1.00 3.32 H new ATOM 0 HA2 GLY B 333 0.771 -10.342 -17.625 1.00 43.01 H new ATOM 0 HA3 GLY B 333 2.216 -11.330 -17.530 1.00 43.01 H new ATOM 2052 N GLY B 334 3.691 -9.750 -19.068 1.00 31.32 N ATOM 2053 CA GLY B 334 4.610 -8.699 -19.473 1.00 53.43 C ATOM 2054 C GLY B 334 4.899 -7.745 -18.312 1.00 13.31 C ATOM 2055 O GLY B 334 4.854 -6.528 -18.477 1.00 50.55 O ATOM 0 H GLY B 334 4.042 -10.698 -19.203 1.00 31.32 H new ATOM 0 HA2 GLY B 334 5.542 -9.142 -19.825 1.00 53.43 H new ATOM 0 HA3 GLY B 334 4.186 -8.142 -20.309 1.00 53.43 H new ATOM 2059 N ASP B 335 5.190 -8.337 -17.162 1.00 5.13 N ATOM 2060 CA ASP B 335 5.488 -7.555 -15.974 1.00 5.01 C ATOM 2061 C ASP B 335 6.980 -7.666 -15.656 1.00 71.13 C ATOM 2062 O ASP B 335 7.357 -8.095 -14.566 1.00 10.34 O ATOM 2063 CB ASP B 335 4.707 -8.073 -14.764 1.00 53.42 C ATOM 2064 CG ASP B 335 4.927 -9.552 -14.439 1.00 1.34 C ATOM 2065 OD1 ASP B 335 4.447 -10.059 -13.413 1.00 41.32 O ATOM 2066 OD2 ASP B 335 5.633 -10.202 -15.301 1.00 4.34 O ATOM 0 H ASP B 335 5.226 -9.348 -17.028 1.00 5.13 H new ATOM 0 HA ASP B 335 5.205 -6.521 -16.171 1.00 5.01 H new ATOM 0 HB2 ASP B 335 4.982 -7.480 -13.892 1.00 53.42 H new ATOM 0 HB3 ASP B 335 3.644 -7.909 -14.939 1.00 53.42 H new ATOM 2072 N ASP B 336 7.791 -7.271 -16.627 1.00 54.12 N ATOM 2073 CA ASP B 336 9.234 -7.320 -16.465 1.00 73.32 C ATOM 2074 C ASP B 336 9.662 -6.278 -15.430 1.00 13.01 C ATOM 2075 O ASP B 336 10.759 -6.359 -14.879 1.00 45.13 O ATOM 2076 CB ASP B 336 9.947 -7.001 -17.780 1.00 42.24 C ATOM 2077 CG ASP B 336 9.514 -5.696 -18.450 1.00 61.12 C ATOM 2078 OD1 ASP B 336 10.246 -5.128 -19.274 1.00 34.03 O ATOM 2079 OD2 ASP B 336 8.356 -5.257 -18.091 1.00 11.32 O ATOM 0 H ASP B 336 7.475 -6.915 -17.529 1.00 54.12 H new ATOM 0 HA ASP B 336 9.503 -8.326 -16.144 1.00 73.32 H new ATOM 0 HB2 ASP B 336 11.020 -6.957 -17.593 1.00 42.24 H new ATOM 0 HB3 ASP B 336 9.778 -7.823 -18.476 1.00 42.24 H new ATOM 2085 N ASP B 337 8.774 -5.323 -15.196 1.00 34.41 N ATOM 2086 CA ASP B 337 9.046 -4.266 -14.238 1.00 41.12 C ATOM 2087 C ASP B 337 7.724 -3.652 -13.774 1.00 44.23 C ATOM 2088 O ASP B 337 6.865 -3.329 -14.592 1.00 22.34 O ATOM 2089 CB ASP B 337 9.890 -3.155 -14.866 1.00 74.41 C ATOM 2090 CG ASP B 337 9.168 -2.312 -15.917 1.00 74.24 C ATOM 2091 OD1 ASP B 337 9.227 -2.604 -17.122 1.00 11.21 O ATOM 2092 OD2 ASP B 337 8.513 -1.303 -15.451 1.00 24.22 O ATOM 0 H ASP B 337 7.865 -5.260 -15.654 1.00 34.41 H new ATOM 0 HA ASP B 337 9.592 -4.702 -13.401 1.00 41.12 H new ATOM 0 HB2 ASP B 337 10.244 -2.496 -14.073 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.771 -3.604 -15.324 1.00 74.41 H new ATOM 2098 N TRP B 338 7.603 -3.507 -12.463 1.00 31.21 N ATOM 2099 CA TRP B 338 6.400 -2.935 -11.880 1.00 33.50 C ATOM 2100 C TRP B 338 6.388 -1.438 -12.194 1.00 43.13 C ATOM 2101 O TRP B 338 6.971 -1.004 -13.186 1.00 24.04 O ATOM 2102 CB TRP B 338 6.322 -3.233 -10.381 1.00 13.13 C ATOM 2103 CG TRP B 338 6.593 -4.695 -10.022 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.867 -5.712 -10.851 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.603 -5.268 -8.697 1.00 60.44 C ATOM 2106 NE1 TRP B 338 7.052 -6.893 -10.161 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.886 -6.614 -8.809 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.380 -4.667 -7.445 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.974 -7.474 -7.707 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.470 -5.540 -6.354 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.756 -6.898 -6.450 1.00 22.23 C ATOM 0 H TRP B 338 8.318 -3.776 -11.787 1.00 31.21 H new ATOM 0 HA TRP B 338 5.508 -3.388 -12.313 1.00 33.50 H new ATOM 0 HB2 TRP B 338 7.040 -2.602 -9.858 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.332 -2.958 -10.017 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.935 -5.619 -11.925 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.270 -7.803 -10.568 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.157 -3.616 -7.334 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.198 -8.524 -7.821 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.306 -5.130 -5.368 1.00 42.51 H new ATOM 0 HH2 TRP B 338 6.810 -7.505 -5.559 1.00 22.23 H new ATOM 2122 N THR B 339 5.717 -0.691 -11.330 1.00 11.15 N ATOM 2123 CA THR B 339 5.621 0.749 -11.503 1.00 63.24 C ATOM 2124 C THR B 339 6.761 1.452 -10.763 1.00 75.25 C ATOM 2125 O THR B 339 7.310 0.912 -9.804 1.00 55.55 O ATOM 2126 CB THR B 339 4.232 1.189 -11.037 1.00 43.14 C ATOM 2127 OG1 THR B 339 3.400 0.973 -12.173 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.147 2.697 -10.795 1.00 73.05 C ATOM 0 H THR B 339 5.235 -1.055 -10.508 1.00 11.15 H new ATOM 0 HA THR B 339 5.733 1.030 -12.550 1.00 63.24 H new ATOM 0 HB THR B 339 3.972 0.659 -10.121 1.00 43.14 H new ATOM 0 HG1 THR B 339 3.897 0.471 -12.852 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.141 2.957 -10.466 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.865 2.983 -10.027 1.00 73.05 H new ATOM 0 HG23 THR B 339 4.374 3.227 -11.720 1.00 73.05 H new ATOM 2136 N HIS B 340 7.085 2.646 -11.238 1.00 23.10 N ATOM 2137 CA HIS B 340 8.149 3.428 -10.633 1.00 53.35 C ATOM 2138 C HIS B 340 7.545 4.526 -9.756 1.00 55.35 C ATOM 2139 O HIS B 340 6.704 5.299 -10.213 1.00 75.31 O ATOM 2140 CB HIS B 340 9.094 3.978 -11.705 1.00 52.13 C ATOM 2141 CG HIS B 340 8.775 3.509 -13.104 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.194 2.286 -13.599 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.074 4.111 -14.108 1.00 35.32 C ATOM 2144 CE1 HIS B 340 8.760 2.168 -14.845 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.066 3.300 -15.158 1.00 32.50 N ATOM 0 H HIS B 340 6.629 3.090 -12.035 1.00 23.10 H new ATOM 0 HA HIS B 340 8.754 2.790 -9.989 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.059 5.067 -11.681 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.115 3.686 -11.459 1.00 52.13 H new ATOM 0 HD2 HIS B 340 7.605 5.083 -14.057 1.00 35.32 H new ATOM 0 HE1 HIS B 340 8.926 1.324 -15.498 1.00 52.42 H new ATOM 0 HE2 HIS B 340 7.615 3.491 -16.053 1.00 32.50 H new ATOM 2153 N LEU B 341 7.998 4.559 -8.511 1.00 42.45 N ATOM 2154 CA LEU B 341 7.512 5.550 -7.565 1.00 42.21 C ATOM 2155 C LEU B 341 8.502 6.716 -7.500 1.00 60.12 C ATOM 2156 O LEU B 341 9.365 6.752 -6.625 1.00 1.40 O ATOM 2157 CB LEU B 341 7.233 4.903 -6.207 1.00 45.14 C ATOM 2158 CG LEU B 341 6.105 3.870 -6.175 1.00 73.23 C ATOM 2159 CD1 LEU B 341 4.773 4.525 -5.806 1.00 65.35 C ATOM 2160 CD2 LEU B 341 6.022 3.108 -7.500 1.00 55.44 C ATOM 0 H LEU B 341 8.695 3.916 -8.136 1.00 42.45 H new ATOM 0 HA LEU B 341 6.559 5.960 -7.899 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.148 4.423 -5.861 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.997 5.692 -5.493 1.00 45.14 H new ATOM 0 HG LEU B 341 6.331 3.140 -5.398 1.00 73.23 H new ATOM 0 HD11 LEU B 341 3.988 3.769 -5.790 1.00 65.35 H new ATOM 0 HD12 LEU B 341 4.854 4.985 -4.821 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.527 5.289 -6.544 1.00 65.35 H new ATOM 0 HD21 LEU B 341 5.212 2.380 -7.451 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.830 3.810 -8.312 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.964 2.591 -7.682 1.00 55.44 H new ATOM 2172 N SER B 342 8.344 7.638 -8.437 1.00 53.43 N ATOM 2173 CA SER B 342 9.213 8.801 -8.498 1.00 62.22 C ATOM 2174 C SER B 342 8.628 9.935 -7.652 1.00 15.10 C ATOM 2175 O SER B 342 7.491 10.352 -7.868 1.00 21.54 O ATOM 2176 CB SER B 342 9.414 9.265 -9.941 1.00 33.03 C ATOM 2177 OG SER B 342 9.205 8.207 -10.875 1.00 21.10 O ATOM 0 H SER B 342 7.626 7.604 -9.161 1.00 53.43 H new ATOM 0 HA SER B 342 10.187 8.521 -8.097 1.00 62.22 H new ATOM 0 HB2 SER B 342 8.726 10.082 -10.159 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.424 9.658 -10.058 1.00 33.03 H new ATOM 0 HG SER B 342 9.341 8.543 -11.786 1.00 21.10 H new ATOM 2183 N SER B 343 9.432 10.400 -6.708 1.00 0.25 N ATOM 2184 CA SER B 343 9.010 11.478 -5.829 1.00 53.03 C ATOM 2185 C SER B 343 9.305 12.831 -6.481 1.00 5.52 C ATOM 2186 O SER B 343 9.244 13.867 -5.822 1.00 30.55 O ATOM 2187 CB SER B 343 9.700 11.381 -4.467 1.00 24.32 C ATOM 2188 OG SER B 343 10.343 12.601 -4.108 1.00 14.53 O ATOM 0 H SER B 343 10.374 10.050 -6.532 1.00 0.25 H new ATOM 0 HA SER B 343 7.936 11.387 -5.667 1.00 53.03 H new ATOM 0 HB2 SER B 343 8.965 11.121 -3.706 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.435 10.576 -4.489 1.00 24.32 H new ATOM 0 HG SER B 343 9.749 13.355 -4.306 1.00 14.53 H new ATOM 2194 N LYS B 344 9.620 12.776 -7.766 1.00 41.31 N ATOM 2195 CA LYS B 344 9.926 13.984 -8.513 1.00 25.42 C ATOM 2196 C LYS B 344 8.683 14.429 -9.287 1.00 71.41 C ATOM 2197 O LYS B 344 8.471 15.622 -9.493 1.00 5.30 O ATOM 2198 CB LYS B 344 11.157 13.770 -9.397 1.00 31.02 C ATOM 2199 CG LYS B 344 11.123 12.391 -10.059 1.00 5.42 C ATOM 2200 CD LYS B 344 11.901 11.366 -9.231 1.00 64.43 C ATOM 2201 CE LYS B 344 12.700 10.424 -10.134 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.055 10.965 -10.378 1.00 22.20 N ATOM 0 H LYS B 344 9.670 11.914 -8.309 1.00 41.31 H new ATOM 0 HA LYS B 344 10.187 14.796 -7.834 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.198 14.544 -10.163 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.062 13.867 -8.797 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.090 12.063 -10.172 1.00 5.42 H new ATOM 0 HG3 LYS B 344 11.549 12.454 -11.060 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.577 11.882 -8.549 1.00 64.43 H new ATOM 0 HD3 LYS B 344 11.209 10.788 -8.618 1.00 64.43 H new ATOM 0 HE2 LYS B 344 12.773 9.441 -9.670 1.00 14.43 H new ATOM 0 HE3 LYS B 344 12.179 10.291 -11.082 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 14.584 10.313 -10.992 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 13.980 11.893 -10.841 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 14.555 11.069 -9.472 1.00 22.20 H new ATOM 2215 N GLU B 345 7.895 13.444 -9.694 1.00 53.15 N ATOM 2216 CA GLU B 345 6.680 13.719 -10.441 1.00 4.44 C ATOM 2217 C GLU B 345 5.546 14.100 -9.487 1.00 23.22 C ATOM 2218 O GLU B 345 4.431 14.385 -9.923 1.00 21.12 O ATOM 2219 CB GLU B 345 6.286 12.521 -11.308 1.00 53.02 C ATOM 2220 CG GLU B 345 7.476 12.028 -12.134 1.00 14.22 C ATOM 2221 CD GLU B 345 7.038 11.641 -13.549 1.00 0.42 C ATOM 2222 OE1 GLU B 345 5.838 11.460 -13.798 1.00 61.52 O ATOM 2223 OE2 GLU B 345 7.997 11.529 -14.404 1.00 24.43 O ATOM 0 H GLU B 345 8.075 12.455 -9.520 1.00 53.15 H new ATOM 0 HA GLU B 345 6.869 14.561 -11.106 1.00 4.44 H new ATOM 0 HB2 GLU B 345 5.919 11.714 -10.674 1.00 53.02 H new ATOM 0 HB3 GLU B 345 5.469 12.801 -11.972 1.00 53.02 H new ATOM 0 HG2 GLU B 345 8.236 12.808 -12.185 1.00 14.22 H new ATOM 0 HG3 GLU B 345 7.933 11.169 -11.643 1.00 14.22 H new ATOM 2231 N VAL B 346 5.869 14.093 -8.202 1.00 4.42 N ATOM 2232 CA VAL B 346 4.892 14.436 -7.183 1.00 33.24 C ATOM 2233 C VAL B 346 4.881 15.952 -6.980 1.00 64.22 C ATOM 2234 O VAL B 346 5.423 16.695 -7.797 1.00 4.44 O ATOM 2235 CB VAL B 346 5.186 13.663 -5.896 1.00 73.12 C ATOM 2236 CG1 VAL B 346 5.534 12.204 -6.199 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.300 14.337 -5.093 1.00 13.23 C ATOM 0 H VAL B 346 6.794 13.855 -7.843 1.00 4.42 H new ATOM 0 HA VAL B 346 3.891 14.144 -7.501 1.00 33.24 H new ATOM 0 HB VAL B 346 4.282 13.672 -5.287 1.00 73.12 H new ATOM 0 HG11 VAL B 346 5.738 11.678 -5.267 1.00 34.11 H new ATOM 0 HG12 VAL B 346 4.696 11.728 -6.708 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.416 12.166 -6.838 1.00 34.11 H new ATOM 0 HG21 VAL B 346 6.489 13.767 -4.183 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.209 14.375 -5.693 1.00 13.23 H new ATOM 0 HG23 VAL B 346 5.997 15.350 -4.830 1.00 13.23 H new ATOM 2247 N ASP B 347 4.258 16.367 -5.886 1.00 64.45 N ATOM 2248 CA ASP B 347 4.170 17.781 -5.566 1.00 13.23 C ATOM 2249 C ASP B 347 5.576 18.332 -5.319 1.00 41.10 C ATOM 2250 O ASP B 347 6.004 19.274 -5.985 1.00 60.02 O ATOM 2251 CB ASP B 347 3.344 18.009 -4.299 1.00 11.14 C ATOM 2252 CG ASP B 347 3.583 19.351 -3.604 1.00 55.41 C ATOM 2253 OD1 ASP B 347 3.787 20.383 -4.259 1.00 44.22 O ATOM 2254 OD2 ASP B 347 3.554 19.309 -2.315 1.00 54.24 O ATOM 0 H ASP B 347 3.810 15.748 -5.211 1.00 64.45 H new ATOM 0 HA ASP B 347 3.691 18.287 -6.404 1.00 13.23 H new ATOM 0 HB2 ASP B 347 2.287 17.932 -4.554 1.00 11.14 H new ATOM 0 HB3 ASP B 347 3.561 17.208 -3.593 1.00 11.14 H new TER 2260 ASP B 347