USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=35 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 Single : A 0 SER N :NH3+ 170:sc= -0.138 (180deg=-0.254) USER MOD Single : A 0 SER OG : rot 11:sc= 0.909 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00679 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -3.01 (180deg=-3.24) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.32) USER MOD Single : A 26 GLN : amide:sc= -0.672 K(o=-0.67,f=-2.8!) USER MOD Single : A 27 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-5.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0743 K(o=-0.074,f=-1.6) USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= -2.96! (180deg=-5.95!) USER MOD Single : A 50 THR OG1 : rot 170:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= -0.209 (180deg=-1.75) USER MOD Single : A 57 HIS : no HD1:sc= -10.7! C(o=-11!,f=-13!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.139 F(o=-0.72,f=-0.14) USER MOD Single : A 60 MET CE :methyl 159:sc= -5.22 (180deg=-7.25!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -0.771 (180deg=-1.12) USER MOD Single : A 72 GLN : amide:sc=-0.00647 X(o=-0.0065,f=-0.3) USER MOD Single : A 74 ASN : amide:sc= -3.42 K(o=-3.4,f=-17!) USER MOD Single : A 76 ASN : amide:sc= -0.495 X(o=-0.5,f=-0.013) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.55 F(o=-3,f=-1.5) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.61 F(o=-3.3!,f=-1.6) USER MOD Single : A 86 HIS : no HD1:sc= -11.1! C(o=-11!,f=-13!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -141:sc= -1.23 (180deg=-2.4!) USER MOD Single : A 90 SER OG : rot -71:sc= 0.868 USER MOD Single : A 92 SER OG : rot -40:sc= 0.486 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 124:sc= 1.1 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -177:sc= -0.136 USER MOD Single : A 111 MET CE :methyl -132:sc= -3.04 (180deg=-5.6!) USER MOD Single : A 113 TYR OH : rot 42:sc= 0.686 USER MOD Single : A 115 SER OG : rot -60:sc= 1.11 USER MOD Single : A 116 GLN : amide:sc= -2.15! C(o=-2.1!,f=-3.1!) USER MOD Single : A 118 THR OG1 : rot 39:sc= 0.886! USER MOD Single : B 331 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 332 SER OG : rot 180:sc= 0 USER MOD Single : B 339 THR OG1 : rot -100:sc= -2.65! USER MOD Single : B 340 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.24) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 37:sc= -0.886 USER MOD Single : B 344 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0187) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -17.199 -15.181 2.064 1.00 13.40 N ATOM 2 CA SER A 0 -18.561 -15.409 1.613 1.00 44.32 C ATOM 3 C SER A 0 -19.218 -14.080 1.236 1.00 24.50 C ATOM 4 O SER A 0 -20.437 -14.005 1.089 1.00 54.43 O ATOM 5 CB SER A 0 -19.385 -16.123 2.687 1.00 50.33 C ATOM 6 OG SER A 0 -20.785 -15.998 2.456 1.00 54.05 O ATOM 0 H1 SER A 0 -16.818 -16.057 2.475 1.00 13.40 H new ATOM 0 H2 SER A 0 -16.610 -14.893 1.257 1.00 13.40 H new ATOM 0 H3 SER A 0 -17.193 -14.430 2.783 1.00 13.40 H new ATOM 0 HA SER A 0 -18.526 -16.051 0.733 1.00 44.32 H new ATOM 0 HB2 SER A 0 -19.114 -17.179 2.710 1.00 50.33 H new ATOM 0 HB3 SER A 0 -19.141 -15.710 3.666 1.00 50.33 H new ATOM 0 HG SER A 0 -20.937 -15.626 1.562 1.00 54.05 H new ATOM 13 N MET A 1 -18.381 -13.064 1.090 1.00 31.35 N ATOM 14 CA MET A 1 -18.865 -11.741 0.732 1.00 61.55 C ATOM 15 C MET A 1 -19.370 -11.713 -0.712 1.00 74.03 C ATOM 16 O MET A 1 -18.920 -12.497 -1.546 1.00 34.20 O ATOM 17 CB MET A 1 -17.735 -10.723 0.898 1.00 3.04 C ATOM 18 CG MET A 1 -17.425 -10.483 2.377 1.00 13.42 C ATOM 19 SD MET A 1 -16.200 -11.653 2.941 1.00 33.40 S ATOM 20 CE MET A 1 -14.710 -10.772 2.510 1.00 2.42 C ATOM 0 H MET A 1 -17.371 -13.130 1.213 1.00 31.35 H new ATOM 0 HA MET A 1 -19.695 -11.487 1.391 1.00 61.55 H new ATOM 0 HB2 MET A 1 -16.840 -11.081 0.389 1.00 3.04 H new ATOM 0 HB3 MET A 1 -18.016 -9.782 0.424 1.00 3.04 H new ATOM 0 HG2 MET A 1 -17.061 -9.466 2.521 1.00 13.42 H new ATOM 0 HG3 MET A 1 -18.335 -10.583 2.969 1.00 13.42 H new ATOM 0 HE1 MET A 1 -13.841 -11.365 2.795 1.00 2.42 H new ATOM 0 HE2 MET A 1 -14.691 -10.594 1.435 1.00 2.42 H new ATOM 0 HE3 MET A 1 -14.686 -9.818 3.036 1.00 2.42 H new ATOM 30 N PRO A 2 -20.323 -10.777 -0.969 1.00 72.22 N ATOM 31 CA PRO A 2 -20.895 -10.638 -2.297 1.00 32.22 C ATOM 32 C PRO A 2 -19.912 -9.949 -3.247 1.00 33.04 C ATOM 33 O PRO A 2 -20.220 -9.739 -4.419 1.00 20.31 O ATOM 34 CB PRO A 2 -22.176 -9.847 -2.093 1.00 4.41 C ATOM 35 CG PRO A 2 -22.040 -9.176 -0.736 1.00 61.45 C ATOM 36 CD PRO A 2 -20.879 -9.832 -0.006 1.00 64.53 C ATOM 0 HA PRO A 2 -21.107 -11.599 -2.767 1.00 32.22 H new ATOM 0 HB2 PRO A 2 -22.308 -9.108 -2.883 1.00 4.41 H new ATOM 0 HB3 PRO A 2 -23.047 -10.501 -2.120 1.00 4.41 H new ATOM 0 HG2 PRO A 2 -21.861 -8.107 -0.855 1.00 61.45 H new ATOM 0 HG3 PRO A 2 -22.961 -9.283 -0.163 1.00 61.45 H new ATOM 0 HD2 PRO A 2 -20.136 -9.095 0.300 1.00 64.53 H new ATOM 0 HD3 PRO A 2 -21.216 -10.340 0.898 1.00 64.53 H new ATOM 44 N SER A 3 -18.750 -9.617 -2.705 1.00 54.55 N ATOM 45 CA SER A 3 -17.719 -8.956 -3.490 1.00 22.24 C ATOM 46 C SER A 3 -16.760 -9.995 -4.074 1.00 14.34 C ATOM 47 O SER A 3 -16.964 -11.197 -3.908 1.00 50.13 O ATOM 48 CB SER A 3 -16.950 -7.939 -2.644 1.00 33.41 C ATOM 49 OG SER A 3 -17.824 -7.094 -1.900 1.00 60.34 O ATOM 0 H SER A 3 -18.499 -9.793 -1.732 1.00 54.55 H new ATOM 0 HA SER A 3 -18.202 -8.418 -4.306 1.00 22.24 H new ATOM 0 HB2 SER A 3 -16.285 -8.466 -1.959 1.00 33.41 H new ATOM 0 HB3 SER A 3 -16.321 -7.329 -3.293 1.00 33.41 H new ATOM 0 HG SER A 3 -17.295 -6.460 -1.372 1.00 60.34 H new ATOM 55 N GLU A 4 -15.735 -9.493 -4.748 1.00 34.45 N ATOM 56 CA GLU A 4 -14.744 -10.363 -5.358 1.00 54.11 C ATOM 57 C GLU A 4 -13.660 -10.728 -4.342 1.00 11.33 C ATOM 58 O GLU A 4 -13.427 -9.989 -3.385 1.00 33.54 O ATOM 59 CB GLU A 4 -14.134 -9.711 -6.600 1.00 54.23 C ATOM 60 CG GLU A 4 -12.996 -8.762 -6.219 1.00 71.21 C ATOM 61 CD GLU A 4 -12.490 -7.994 -7.441 1.00 41.21 C ATOM 62 OE1 GLU A 4 -11.302 -7.641 -7.505 1.00 71.45 O ATOM 63 OE2 GLU A 4 -13.378 -7.765 -8.349 1.00 44.24 O ATOM 0 H GLU A 4 -15.570 -8.496 -4.885 1.00 34.45 H new ATOM 0 HA GLU A 4 -15.240 -11.280 -5.675 1.00 54.11 H new ATOM 0 HB2 GLU A 4 -13.759 -10.482 -7.273 1.00 54.23 H new ATOM 0 HB3 GLU A 4 -14.904 -9.162 -7.142 1.00 54.23 H new ATOM 0 HG2 GLU A 4 -13.342 -8.059 -5.461 1.00 71.21 H new ATOM 0 HG3 GLU A 4 -12.177 -9.330 -5.777 1.00 71.21 H new ATOM 71 N LYS A 5 -13.026 -11.866 -4.583 1.00 65.13 N ATOM 72 CA LYS A 5 -11.973 -12.337 -3.701 1.00 64.22 C ATOM 73 C LYS A 5 -10.949 -11.219 -3.493 1.00 42.21 C ATOM 74 O LYS A 5 -11.104 -10.123 -4.029 1.00 42.45 O ATOM 75 CB LYS A 5 -11.365 -13.636 -4.237 1.00 3.33 C ATOM 76 CG LYS A 5 -12.195 -14.847 -3.809 1.00 34.13 C ATOM 77 CD LYS A 5 -11.536 -16.151 -4.262 1.00 12.43 C ATOM 78 CE LYS A 5 -12.092 -17.346 -3.485 1.00 30.32 C ATOM 79 NZ LYS A 5 -11.466 -18.603 -3.950 1.00 30.40 N ATOM 0 H LYS A 5 -13.222 -12.476 -5.377 1.00 65.13 H new ATOM 0 HA LYS A 5 -12.380 -12.584 -2.720 1.00 64.22 H new ATOM 0 HB2 LYS A 5 -11.310 -13.594 -5.325 1.00 3.33 H new ATOM 0 HB3 LYS A 5 -10.344 -13.742 -3.870 1.00 3.33 H new ATOM 0 HG2 LYS A 5 -12.308 -14.850 -2.725 1.00 34.13 H new ATOM 0 HG3 LYS A 5 -13.196 -14.775 -4.234 1.00 34.13 H new ATOM 0 HD2 LYS A 5 -11.705 -16.296 -5.329 1.00 12.43 H new ATOM 0 HD3 LYS A 5 -10.458 -16.088 -4.116 1.00 12.43 H new ATOM 0 HE2 LYS A 5 -11.906 -17.213 -2.419 1.00 30.32 H new ATOM 0 HE3 LYS A 5 -13.173 -17.401 -3.615 1.00 30.32 H new ATOM 0 HZ1 LYS A 5 -11.855 -19.404 -3.412 1.00 30.40 H new ATOM 0 HZ2 LYS A 5 -11.665 -18.736 -4.962 1.00 30.40 H new ATOM 0 HZ3 LYS A 5 -10.438 -18.554 -3.803 1.00 30.40 H new ATOM 92 N THR A 6 -9.925 -11.535 -2.714 1.00 33.53 N ATOM 93 CA THR A 6 -8.876 -10.571 -2.429 1.00 4.02 C ATOM 94 C THR A 6 -7.511 -11.134 -2.830 1.00 30.43 C ATOM 95 O THR A 6 -7.312 -12.347 -2.834 1.00 52.20 O ATOM 96 CB THR A 6 -8.967 -10.197 -0.948 1.00 22.24 C ATOM 97 OG1 THR A 6 -9.263 -11.428 -0.296 1.00 4.11 O ATOM 98 CG2 THR A 6 -10.179 -9.313 -0.642 1.00 10.13 C ATOM 0 H THR A 6 -9.799 -12.445 -2.271 1.00 33.53 H new ATOM 0 HA THR A 6 -9.004 -9.662 -3.017 1.00 4.02 H new ATOM 0 HB THR A 6 -8.055 -9.681 -0.647 1.00 22.24 H new ATOM 0 HG1 THR A 6 -9.338 -11.277 0.669 1.00 4.11 H new ATOM 0 HG21 THR A 6 -10.197 -9.076 0.422 1.00 10.13 H new ATOM 0 HG22 THR A 6 -10.111 -8.390 -1.218 1.00 10.13 H new ATOM 0 HG23 THR A 6 -11.093 -9.842 -0.912 1.00 10.13 H new ATOM 106 N PHE A 7 -6.605 -10.224 -3.158 1.00 14.25 N ATOM 107 CA PHE A 7 -5.265 -10.615 -3.559 1.00 2.32 C ATOM 108 C PHE A 7 -4.691 -11.665 -2.606 1.00 75.30 C ATOM 109 O PHE A 7 -3.804 -12.431 -2.981 1.00 5.33 O ATOM 110 CB PHE A 7 -4.394 -9.357 -3.498 1.00 22.33 C ATOM 111 CG PHE A 7 -4.475 -8.483 -4.751 1.00 1.32 C ATOM 112 CD1 PHE A 7 -5.540 -7.660 -4.939 1.00 42.21 C ATOM 113 CD2 PHE A 7 -3.479 -8.530 -5.676 1.00 23.32 C ATOM 114 CE1 PHE A 7 -5.614 -6.848 -6.101 1.00 62.01 C ATOM 115 CE2 PHE A 7 -3.554 -7.719 -6.840 1.00 4.32 C ATOM 116 CZ PHE A 7 -4.619 -6.895 -7.027 1.00 45.41 C ATOM 0 H PHE A 7 -6.773 -9.218 -3.154 1.00 14.25 H new ATOM 0 HA PHE A 7 -5.288 -11.046 -4.560 1.00 2.32 H new ATOM 0 HB2 PHE A 7 -4.691 -8.763 -2.634 1.00 22.33 H new ATOM 0 HB3 PHE A 7 -3.357 -9.653 -3.340 1.00 22.33 H new ATOM 0 HD1 PHE A 7 -6.330 -7.624 -4.204 1.00 42.21 H new ATOM 0 HD2 PHE A 7 -2.632 -9.183 -5.526 1.00 23.32 H new ATOM 0 HE1 PHE A 7 -6.460 -6.193 -6.250 1.00 62.01 H new ATOM 0 HE2 PHE A 7 -2.765 -7.757 -7.576 1.00 4.32 H new ATOM 0 HZ PHE A 7 -4.675 -6.277 -7.911 1.00 45.41 H new ATOM 126 N LYS A 8 -5.219 -11.667 -1.391 1.00 44.22 N ATOM 127 CA LYS A 8 -4.770 -12.610 -0.381 1.00 32.53 C ATOM 128 C LYS A 8 -5.385 -13.982 -0.662 1.00 55.43 C ATOM 129 O LYS A 8 -4.713 -15.006 -0.535 1.00 63.02 O ATOM 130 CB LYS A 8 -5.071 -12.077 1.021 1.00 13.04 C ATOM 131 CG LYS A 8 -6.565 -11.793 1.191 1.00 74.23 C ATOM 132 CD LYS A 8 -6.930 -11.641 2.669 1.00 43.31 C ATOM 133 CE LYS A 8 -6.555 -12.898 3.458 1.00 73.45 C ATOM 134 NZ LYS A 8 -6.756 -14.109 2.630 1.00 62.03 N ATOM 0 H LYS A 8 -5.954 -11.030 -1.083 1.00 44.22 H new ATOM 0 HA LYS A 8 -3.688 -12.730 -0.426 1.00 32.53 H new ATOM 0 HB2 LYS A 8 -4.748 -12.803 1.767 1.00 13.04 H new ATOM 0 HB3 LYS A 8 -4.501 -11.164 1.197 1.00 13.04 H new ATOM 0 HG2 LYS A 8 -6.829 -10.883 0.652 1.00 74.23 H new ATOM 0 HG3 LYS A 8 -7.145 -12.604 0.751 1.00 74.23 H new ATOM 0 HD2 LYS A 8 -6.414 -10.777 3.088 1.00 43.31 H new ATOM 0 HD3 LYS A 8 -7.999 -11.452 2.766 1.00 43.31 H new ATOM 0 HE2 LYS A 8 -5.515 -12.837 3.777 1.00 73.45 H new ATOM 0 HE3 LYS A 8 -7.162 -12.963 4.361 1.00 73.45 H new ATOM 0 HZ1 LYS A 8 -6.814 -14.945 3.246 1.00 62.03 H new ATOM 0 HZ2 LYS A 8 -7.639 -14.016 2.088 1.00 62.03 H new ATOM 0 HZ3 LYS A 8 -5.957 -14.217 1.974 1.00 62.03 H new ATOM 147 N GLN A 9 -6.655 -13.961 -1.040 1.00 11.21 N ATOM 148 CA GLN A 9 -7.368 -15.191 -1.341 1.00 54.31 C ATOM 149 C GLN A 9 -7.207 -15.549 -2.819 1.00 44.42 C ATOM 150 O GLN A 9 -6.638 -16.588 -3.152 1.00 24.31 O ATOM 151 CB GLN A 9 -8.845 -15.074 -0.962 1.00 22.42 C ATOM 152 CG GLN A 9 -9.022 -15.054 0.558 1.00 2.22 C ATOM 153 CD GLN A 9 -10.354 -15.686 0.964 1.00 30.23 C ATOM 154 OE1 GLN A 9 -10.410 -16.705 1.633 1.00 60.23 O ATOM 155 NE2 GLN A 9 -11.423 -15.027 0.523 1.00 51.32 N ATOM 0 H GLN A 9 -7.209 -13.111 -1.145 1.00 11.21 H new ATOM 0 HA GLN A 9 -6.936 -15.995 -0.744 1.00 54.31 H new ATOM 0 HB2 GLN A 9 -9.263 -14.164 -1.392 1.00 22.42 H new ATOM 0 HB3 GLN A 9 -9.400 -15.911 -1.385 1.00 22.42 H new ATOM 0 HG2 GLN A 9 -8.201 -15.593 1.030 1.00 2.22 H new ATOM 0 HG3 GLN A 9 -8.978 -14.027 0.919 1.00 2.22 H new ATOM 0 HE21 GLN A 9 -11.306 -14.180 -0.033 1.00 51.32 H new ATOM 0 HE22 GLN A 9 -12.359 -15.369 0.741 1.00 51.32 H new ATOM 164 N ARG A 10 -7.719 -14.669 -3.668 1.00 33.32 N ATOM 165 CA ARG A 10 -7.641 -14.881 -5.103 1.00 63.54 C ATOM 166 C ARG A 10 -6.223 -15.298 -5.501 1.00 21.45 C ATOM 167 O ARG A 10 -5.976 -16.465 -5.801 1.00 12.11 O ATOM 168 CB ARG A 10 -8.025 -13.612 -5.867 1.00 14.11 C ATOM 169 CG ARG A 10 -7.926 -13.833 -7.379 1.00 62.12 C ATOM 170 CD ARG A 10 -8.927 -14.892 -7.846 1.00 31.52 C ATOM 171 NE ARG A 10 -9.255 -14.683 -9.273 1.00 21.25 N ATOM 172 CZ ARG A 10 -9.749 -15.643 -10.085 1.00 24.41 C ATOM 173 NH1 ARG A 10 -9.974 -16.888 -9.615 1.00 13.41 N ATOM 174 NH2 ARG A 10 -10.006 -15.346 -11.345 1.00 1.04 N ATOM 0 H ARG A 10 -8.189 -13.808 -3.389 1.00 33.32 H new ATOM 0 HA ARG A 10 -8.343 -15.674 -5.361 1.00 63.54 H new ATOM 0 HB2 ARG A 10 -9.041 -13.318 -5.604 1.00 14.11 H new ATOM 0 HB3 ARG A 10 -7.370 -12.793 -5.572 1.00 14.11 H new ATOM 0 HG2 ARG A 10 -8.115 -12.894 -7.900 1.00 62.12 H new ATOM 0 HG3 ARG A 10 -6.914 -14.144 -7.639 1.00 62.12 H new ATOM 0 HD2 ARG A 10 -8.509 -15.888 -7.703 1.00 31.52 H new ATOM 0 HD3 ARG A 10 -9.834 -14.838 -7.244 1.00 31.52 H new ATOM 0 HE ARG A 10 -9.098 -13.756 -9.669 1.00 21.25 H new ATOM 0 HH11 ARG A 10 -9.771 -17.110 -8.640 1.00 13.41 H new ATOM 0 HH12 ARG A 10 -10.347 -17.607 -10.234 1.00 13.41 H new ATOM 0 HH21 ARG A 10 -9.831 -14.403 -11.693 1.00 1.04 H new ATOM 0 HH22 ARG A 10 -10.379 -16.059 -11.971 1.00 1.04 H new ATOM 187 N ARG A 11 -5.329 -14.320 -5.491 1.00 45.45 N ATOM 188 CA ARG A 11 -3.941 -14.572 -5.847 1.00 60.44 C ATOM 189 C ARG A 11 -3.298 -15.522 -4.837 1.00 23.52 C ATOM 190 O ARG A 11 -3.371 -15.293 -3.630 1.00 70.40 O ATOM 191 CB ARG A 11 -3.141 -13.269 -5.894 1.00 33.13 C ATOM 192 CG ARG A 11 -3.193 -12.642 -7.289 1.00 63.31 C ATOM 193 CD ARG A 11 -4.585 -12.082 -7.586 1.00 62.03 C ATOM 194 NE ARG A 11 -4.774 -11.946 -9.048 1.00 52.54 N ATOM 195 CZ ARG A 11 -4.354 -10.885 -9.770 1.00 14.32 C ATOM 196 NH1 ARG A 11 -3.717 -9.857 -9.170 1.00 51.33 N ATOM 197 NH2 ARG A 11 -4.576 -10.868 -11.071 1.00 0.21 N ATOM 0 H ARG A 11 -5.537 -13.353 -5.243 1.00 45.45 H new ATOM 0 HA ARG A 11 -3.929 -15.028 -6.837 1.00 60.44 H new ATOM 0 HB2 ARG A 11 -3.539 -12.567 -5.161 1.00 33.13 H new ATOM 0 HB3 ARG A 11 -2.105 -13.464 -5.618 1.00 33.13 H new ATOM 0 HG2 ARG A 11 -2.453 -11.845 -7.361 1.00 63.31 H new ATOM 0 HG3 ARG A 11 -2.930 -13.389 -8.038 1.00 63.31 H new ATOM 0 HD2 ARG A 11 -5.347 -12.742 -7.172 1.00 62.03 H new ATOM 0 HD3 ARG A 11 -4.707 -11.112 -7.103 1.00 62.03 H new ATOM 0 HE ARG A 11 -5.251 -12.701 -9.541 1.00 52.54 H new ATOM 0 HH11 ARG A 11 -3.550 -9.878 -8.164 1.00 51.33 H new ATOM 0 HH12 ARG A 11 -3.403 -9.059 -9.723 1.00 51.33 H new ATOM 0 HH21 ARG A 11 -5.058 -11.649 -11.516 1.00 0.21 H new ATOM 0 HH22 ARG A 11 -4.265 -10.074 -11.631 1.00 0.21 H new ATOM 210 N SER A 12 -2.683 -16.570 -5.366 1.00 42.14 N ATOM 211 CA SER A 12 -2.026 -17.557 -4.525 1.00 40.31 C ATOM 212 C SER A 12 -0.695 -17.005 -4.013 1.00 43.33 C ATOM 213 O SER A 12 0.166 -16.619 -4.803 1.00 14.04 O ATOM 214 CB SER A 12 -1.803 -18.865 -5.284 1.00 20.01 C ATOM 215 OG SER A 12 -3.024 -19.556 -5.530 1.00 61.51 O ATOM 0 H SER A 12 -2.626 -16.757 -6.367 1.00 42.14 H new ATOM 0 HA SER A 12 -2.674 -17.769 -3.675 1.00 40.31 H new ATOM 0 HB2 SER A 12 -1.309 -18.654 -6.232 1.00 20.01 H new ATOM 0 HB3 SER A 12 -1.133 -19.506 -4.711 1.00 20.01 H new ATOM 0 HG SER A 12 -2.838 -20.385 -6.018 1.00 61.51 H new ATOM 221 N PHE A 13 -0.566 -16.985 -2.694 1.00 41.44 N ATOM 222 CA PHE A 13 0.646 -16.487 -2.068 1.00 63.33 C ATOM 223 C PHE A 13 1.886 -16.918 -2.854 1.00 44.41 C ATOM 224 O PHE A 13 2.719 -16.087 -3.211 1.00 20.03 O ATOM 225 CB PHE A 13 0.708 -17.096 -0.666 1.00 2.14 C ATOM 226 CG PHE A 13 1.522 -16.273 0.335 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.389 -14.920 0.372 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.380 -16.895 1.187 1.00 5.52 C ATOM 229 CE1 PHE A 13 2.144 -14.157 1.301 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.136 -16.132 2.116 1.00 33.33 C ATOM 231 CZ PHE A 13 3.002 -14.779 2.153 1.00 61.43 C ATOM 0 H PHE A 13 -1.282 -17.306 -2.042 1.00 41.44 H new ATOM 0 HA PHE A 13 0.629 -15.398 -2.038 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.307 -17.211 -0.286 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.138 -18.095 -0.734 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.709 -14.426 -0.306 1.00 23.23 H new ATOM 0 HD2 PHE A 13 2.487 -17.969 1.157 1.00 5.52 H new ATOM 0 HE1 PHE A 13 2.037 -13.083 1.331 1.00 5.13 H new ATOM 0 HE2 PHE A 13 3.817 -16.626 2.793 1.00 33.33 H new ATOM 0 HZ PHE A 13 3.577 -14.199 2.859 1.00 61.43 H new ATOM 241 N GLU A 14 1.970 -18.218 -3.099 1.00 55.44 N ATOM 242 CA GLU A 14 3.094 -18.769 -3.836 1.00 2.44 C ATOM 243 C GLU A 14 3.352 -17.951 -5.102 1.00 21.01 C ATOM 244 O GLU A 14 4.500 -17.669 -5.439 1.00 32.24 O ATOM 245 CB GLU A 14 2.858 -20.243 -4.173 1.00 3.33 C ATOM 246 CG GLU A 14 3.258 -21.144 -3.003 1.00 34.15 C ATOM 247 CD GLU A 14 3.017 -22.617 -3.340 1.00 72.44 C ATOM 248 OE1 GLU A 14 2.041 -22.944 -4.031 1.00 44.41 O ATOM 249 OE2 GLU A 14 3.889 -23.437 -2.858 1.00 21.22 O ATOM 0 H GLU A 14 1.278 -18.905 -2.800 1.00 55.44 H new ATOM 0 HA GLU A 14 3.981 -18.712 -3.205 1.00 2.44 H new ATOM 0 HB2 GLU A 14 1.807 -20.401 -4.415 1.00 3.33 H new ATOM 0 HB3 GLU A 14 3.433 -20.514 -5.058 1.00 3.33 H new ATOM 0 HG2 GLU A 14 4.310 -20.989 -2.763 1.00 34.15 H new ATOM 0 HG3 GLU A 14 2.685 -20.871 -2.117 1.00 34.15 H new ATOM 257 N GLN A 15 2.265 -17.593 -5.768 1.00 45.15 N ATOM 258 CA GLN A 15 2.359 -16.812 -6.991 1.00 41.13 C ATOM 259 C GLN A 15 2.929 -15.424 -6.690 1.00 53.54 C ATOM 260 O GLN A 15 3.748 -14.909 -7.450 1.00 72.22 O ATOM 261 CB GLN A 15 0.998 -16.708 -7.681 1.00 53.44 C ATOM 262 CG GLN A 15 0.543 -18.072 -8.205 1.00 54.20 C ATOM 263 CD GLN A 15 1.553 -18.639 -9.205 1.00 14.33 C ATOM 264 OE1 GLN A 15 2.089 -19.722 -9.038 1.00 75.04 O ATOM 265 NE2 GLN A 15 1.780 -17.849 -10.251 1.00 10.33 N ATOM 0 H GLN A 15 1.314 -17.829 -5.485 1.00 45.15 H new ATOM 0 HA GLN A 15 3.037 -17.322 -7.675 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.260 -16.319 -6.980 1.00 53.44 H new ATOM 0 HB3 GLN A 15 1.058 -15.999 -8.507 1.00 53.44 H new ATOM 0 HG2 GLN A 15 0.423 -18.764 -7.372 1.00 54.20 H new ATOM 0 HG3 GLN A 15 -0.432 -17.976 -8.682 1.00 54.20 H new ATOM 0 HE21 GLN A 15 1.297 -16.954 -10.329 1.00 10.33 H new ATOM 0 HE22 GLN A 15 2.437 -18.138 -10.975 1.00 10.33 H new ATOM 274 N ARG A 16 2.473 -14.858 -5.584 1.00 3.03 N ATOM 275 CA ARG A 16 2.927 -13.540 -5.174 1.00 14.35 C ATOM 276 C ARG A 16 4.392 -13.596 -4.736 1.00 53.10 C ATOM 277 O ARG A 16 5.100 -12.591 -4.795 1.00 3.11 O ATOM 278 CB ARG A 16 2.079 -12.997 -4.022 1.00 24.11 C ATOM 279 CG ARG A 16 0.650 -12.705 -4.485 1.00 72.42 C ATOM 280 CD ARG A 16 -0.257 -12.384 -3.295 1.00 11.40 C ATOM 281 NE ARG A 16 -0.776 -13.638 -2.702 1.00 51.11 N ATOM 282 CZ ARG A 16 -1.305 -13.725 -1.462 1.00 12.01 C ATOM 283 NH1 ARG A 16 -1.389 -12.633 -0.674 1.00 15.11 N ATOM 284 NH2 ARG A 16 -1.738 -14.897 -1.034 1.00 73.11 N ATOM 0 H ARG A 16 1.793 -15.288 -4.958 1.00 3.03 H new ATOM 0 HA ARG A 16 2.824 -12.874 -6.031 1.00 14.35 H new ATOM 0 HB2 ARG A 16 2.061 -13.720 -3.207 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.532 -12.086 -3.630 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.654 -11.866 -5.181 1.00 72.42 H new ATOM 0 HG3 ARG A 16 0.256 -13.566 -5.025 1.00 72.42 H new ATOM 0 HD2 ARG A 16 0.298 -11.820 -2.546 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -1.086 -11.754 -3.618 1.00 11.40 H new ATOM 0 HE ARG A 16 -0.731 -14.488 -3.264 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -1.052 -11.732 -1.013 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -1.790 -12.708 0.261 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -1.670 -15.717 -1.637 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -2.140 -14.982 -0.101 1.00 73.11 H new ATOM 297 N VAL A 17 4.804 -14.780 -4.307 1.00 23.21 N ATOM 298 CA VAL A 17 6.172 -14.980 -3.860 1.00 72.24 C ATOM 299 C VAL A 17 7.105 -14.987 -5.073 1.00 12.31 C ATOM 300 O VAL A 17 8.156 -14.350 -5.056 1.00 41.11 O ATOM 301 CB VAL A 17 6.268 -16.257 -3.025 1.00 61.12 C ATOM 302 CG1 VAL A 17 7.702 -16.493 -2.545 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.296 -16.215 -1.844 1.00 4.10 C ATOM 0 H VAL A 17 4.214 -15.611 -4.260 1.00 23.21 H new ATOM 0 HA VAL A 17 6.486 -14.161 -3.213 1.00 72.24 H new ATOM 0 HB VAL A 17 5.986 -17.095 -3.663 1.00 61.12 H new ATOM 0 HG11 VAL A 17 7.742 -17.408 -1.954 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.363 -16.589 -3.406 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.024 -15.651 -1.933 1.00 70.24 H new ATOM 0 HG21 VAL A 17 5.385 -17.135 -1.267 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.534 -15.363 -1.207 1.00 4.10 H new ATOM 0 HG23 VAL A 17 4.276 -16.117 -2.216 1.00 4.10 H new ATOM 313 N GLU A 18 6.685 -15.715 -6.097 1.00 25.41 N ATOM 314 CA GLU A 18 7.469 -15.814 -7.316 1.00 5.04 C ATOM 315 C GLU A 18 7.733 -14.422 -7.893 1.00 14.13 C ATOM 316 O GLU A 18 8.869 -14.088 -8.224 1.00 42.13 O ATOM 317 CB GLU A 18 6.776 -16.711 -8.344 1.00 74.55 C ATOM 318 CG GLU A 18 7.791 -17.322 -9.313 1.00 43.23 C ATOM 319 CD GLU A 18 7.135 -17.656 -10.654 1.00 34.23 C ATOM 320 OE1 GLU A 18 7.069 -16.794 -11.544 1.00 42.32 O ATOM 321 OE2 GLU A 18 6.685 -18.860 -10.757 1.00 63.31 O ATOM 0 H GLU A 18 5.812 -16.242 -6.107 1.00 25.41 H new ATOM 0 HA GLU A 18 8.427 -16.272 -7.071 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.234 -17.505 -7.831 1.00 74.55 H new ATOM 0 HB3 GLU A 18 6.040 -16.131 -8.901 1.00 74.55 H new ATOM 0 HG2 GLU A 18 8.614 -16.625 -9.470 1.00 43.23 H new ATOM 0 HG3 GLU A 18 8.217 -18.226 -8.877 1.00 43.23 H new ATOM 329 N ASP A 19 6.664 -13.647 -7.995 1.00 32.14 N ATOM 330 CA ASP A 19 6.764 -12.298 -8.525 1.00 24.24 C ATOM 331 C ASP A 19 7.915 -11.566 -7.831 1.00 51.31 C ATOM 332 O ASP A 19 8.648 -10.812 -8.467 1.00 42.23 O ATOM 333 CB ASP A 19 5.479 -11.508 -8.270 1.00 51.12 C ATOM 334 CG ASP A 19 5.157 -10.441 -9.318 1.00 40.34 C ATOM 335 OD1 ASP A 19 5.632 -9.299 -9.235 1.00 21.13 O ATOM 336 OD2 ASP A 19 4.371 -10.828 -10.266 1.00 21.13 O ATOM 0 H ASP A 19 5.723 -13.928 -7.719 1.00 32.14 H new ATOM 0 HA ASP A 19 6.935 -12.370 -9.599 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.645 -12.208 -8.217 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.554 -11.027 -7.295 1.00 51.12 H new ATOM 342 N VAL A 20 8.035 -11.814 -6.535 1.00 71.23 N ATOM 343 CA VAL A 20 9.084 -11.189 -5.747 1.00 54.42 C ATOM 344 C VAL A 20 10.441 -11.744 -6.181 1.00 35.23 C ATOM 345 O VAL A 20 11.432 -11.015 -6.217 1.00 13.24 O ATOM 346 CB VAL A 20 8.805 -11.386 -4.256 1.00 4.51 C ATOM 347 CG1 VAL A 20 10.106 -11.378 -3.450 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.830 -10.329 -3.735 1.00 35.51 C ATOM 0 H VAL A 20 7.423 -12.439 -6.011 1.00 71.23 H new ATOM 0 HA VAL A 20 9.104 -10.113 -5.921 1.00 54.42 H new ATOM 0 HB VAL A 20 8.338 -12.362 -4.129 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.880 -11.520 -2.393 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.752 -12.185 -3.794 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.613 -10.423 -3.588 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.649 -10.493 -2.673 1.00 35.51 H new ATOM 0 HG22 VAL A 20 8.257 -9.337 -3.882 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.888 -10.403 -4.279 1.00 35.51 H new ATOM 358 N ARG A 21 10.445 -13.030 -6.500 1.00 73.35 N ATOM 359 CA ARG A 21 11.666 -13.691 -6.930 1.00 12.33 C ATOM 360 C ARG A 21 12.313 -12.915 -8.078 1.00 3.32 C ATOM 361 O ARG A 21 13.510 -13.051 -8.326 1.00 20.04 O ATOM 362 CB ARG A 21 11.383 -15.124 -7.387 1.00 32.23 C ATOM 363 CG ARG A 21 12.673 -15.947 -7.436 1.00 24.21 C ATOM 364 CD ARG A 21 12.399 -17.363 -7.948 1.00 65.53 C ATOM 365 NE ARG A 21 13.638 -17.945 -8.510 1.00 31.50 N ATOM 366 CZ ARG A 21 14.552 -18.626 -7.785 1.00 64.23 C ATOM 367 NH1 ARG A 21 14.371 -18.817 -6.460 1.00 64.10 N ATOM 368 NH2 ARG A 21 15.623 -19.104 -8.391 1.00 2.31 N ATOM 0 H ARG A 21 9.622 -13.632 -6.469 1.00 73.35 H new ATOM 0 HA ARG A 21 12.346 -13.720 -6.079 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.673 -15.594 -6.706 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.918 -15.110 -8.373 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.398 -15.456 -8.085 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.116 -15.995 -6.441 1.00 24.21 H new ATOM 0 HD2 ARG A 21 12.030 -17.988 -7.135 1.00 65.53 H new ATOM 0 HD3 ARG A 21 11.620 -17.339 -8.710 1.00 65.53 H new ATOM 0 HE ARG A 21 13.813 -17.824 -9.508 1.00 31.50 H new ATOM 0 HH11 ARG A 21 13.540 -18.446 -6.000 1.00 64.10 H new ATOM 0 HH12 ARG A 21 15.066 -19.332 -5.919 1.00 64.10 H new ATOM 0 HH21 ARG A 21 15.751 -18.957 -9.392 1.00 2.31 H new ATOM 0 HH22 ARG A 21 16.323 -19.620 -7.858 1.00 2.31 H new ATOM 381 N LEU A 22 11.493 -12.118 -8.748 1.00 21.23 N ATOM 382 CA LEU A 22 11.972 -11.321 -9.864 1.00 44.20 C ATOM 383 C LEU A 22 12.384 -9.937 -9.357 1.00 44.01 C ATOM 384 O LEU A 22 13.553 -9.565 -9.440 1.00 64.33 O ATOM 385 CB LEU A 22 10.927 -11.280 -10.981 1.00 45.15 C ATOM 386 CG LEU A 22 10.568 -12.628 -11.613 1.00 0.33 C ATOM 387 CD1 LEU A 22 10.235 -12.465 -13.097 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.679 -13.654 -11.384 1.00 33.03 C ATOM 0 H LEU A 22 10.501 -12.007 -8.539 1.00 21.23 H new ATOM 0 HA LEU A 22 12.859 -11.777 -10.305 1.00 44.20 H new ATOM 0 HB2 LEU A 22 10.016 -10.833 -10.583 1.00 45.15 H new ATOM 0 HB3 LEU A 22 11.290 -10.618 -11.767 1.00 45.15 H new ATOM 0 HG LEU A 22 9.673 -13.009 -11.122 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.984 -13.437 -13.522 1.00 14.41 H new ATOM 0 HD12 LEU A 22 9.386 -11.790 -13.207 1.00 14.41 H new ATOM 0 HD13 LEU A 22 11.097 -12.052 -13.620 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.399 -14.602 -11.843 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.605 -13.294 -11.832 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.826 -13.798 -10.314 1.00 33.03 H new ATOM 400 N ILE A 23 11.400 -9.213 -8.844 1.00 72.43 N ATOM 401 CA ILE A 23 11.645 -7.879 -8.323 1.00 73.03 C ATOM 402 C ILE A 23 12.840 -7.920 -7.369 1.00 50.41 C ATOM 403 O ILE A 23 13.490 -6.901 -7.138 1.00 52.54 O ATOM 404 CB ILE A 23 10.374 -7.308 -7.692 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.018 -5.953 -8.306 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.505 -7.231 -6.169 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.542 -6.114 -9.752 1.00 24.34 C ATOM 0 H ILE A 23 10.431 -9.525 -8.778 1.00 72.43 H new ATOM 0 HA ILE A 23 11.906 -7.197 -9.132 1.00 73.03 H new ATOM 0 HB ILE A 23 9.549 -7.987 -7.910 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.238 -5.475 -7.714 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.888 -5.297 -8.277 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.588 -6.822 -5.745 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.676 -8.230 -5.768 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.344 -6.587 -5.908 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.295 -5.136 -10.165 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.333 -6.570 -10.347 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.658 -6.751 -9.775 1.00 24.34 H new ATOM 419 N ARG A 24 13.094 -9.109 -6.841 1.00 12.34 N ATOM 420 CA ARG A 24 14.200 -9.296 -5.917 1.00 45.23 C ATOM 421 C ARG A 24 15.528 -9.325 -6.677 1.00 1.14 C ATOM 422 O ARG A 24 16.539 -8.822 -6.190 1.00 74.04 O ATOM 423 CB ARG A 24 14.044 -10.596 -5.127 1.00 34.14 C ATOM 424 CG ARG A 24 13.256 -10.363 -3.837 1.00 13.13 C ATOM 425 CD ARG A 24 14.197 -10.227 -2.637 1.00 0.34 C ATOM 426 NE ARG A 24 13.417 -9.951 -1.411 1.00 52.12 N ATOM 427 CZ ARG A 24 13.943 -9.439 -0.278 1.00 54.35 C ATOM 428 NH1 ARG A 24 15.258 -9.142 -0.206 1.00 71.43 N ATOM 429 NH2 ARG A 24 13.152 -9.233 0.759 1.00 1.01 N ATOM 0 H ARG A 24 12.553 -9.952 -7.035 1.00 12.34 H new ATOM 0 HA ARG A 24 14.195 -8.458 -5.220 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.534 -11.339 -5.740 1.00 34.14 H new ATOM 0 HB3 ARG A 24 15.027 -11.001 -4.888 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.651 -9.461 -3.934 1.00 13.13 H new ATOM 0 HG3 ARG A 24 12.568 -11.192 -3.672 1.00 13.13 H new ATOM 0 HD2 ARG A 24 14.775 -11.143 -2.512 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.910 -9.422 -2.813 1.00 0.34 H new ATOM 0 HE ARG A 24 12.419 -10.161 -1.422 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.862 -9.304 -1.012 1.00 71.43 H new ATOM 0 HH12 ARG A 24 15.647 -8.755 0.654 1.00 71.43 H new ATOM 0 HH21 ARG A 24 12.160 -9.460 0.696 1.00 1.01 H new ATOM 0 HH22 ARG A 24 13.533 -8.847 1.623 1.00 1.01 H new ATOM 442 N GLU A 25 15.483 -9.921 -7.860 1.00 75.54 N ATOM 443 CA GLU A 25 16.670 -10.023 -8.692 1.00 71.24 C ATOM 444 C GLU A 25 16.669 -8.922 -9.755 1.00 4.54 C ATOM 445 O GLU A 25 17.629 -8.782 -10.510 1.00 51.11 O ATOM 446 CB GLU A 25 16.769 -11.406 -9.338 1.00 21.24 C ATOM 447 CG GLU A 25 15.655 -11.615 -10.364 1.00 65.42 C ATOM 448 CD GLU A 25 16.131 -12.499 -11.518 1.00 43.43 C ATOM 449 OE1 GLU A 25 15.885 -12.175 -12.690 1.00 42.04 O ATOM 450 OE2 GLU A 25 16.780 -13.557 -11.165 1.00 50.21 O ATOM 0 H GLU A 25 14.643 -10.338 -8.262 1.00 75.54 H new ATOM 0 HA GLU A 25 17.547 -9.890 -8.058 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.739 -11.516 -9.822 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.708 -12.176 -8.568 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.793 -12.074 -9.881 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.327 -10.650 -10.751 1.00 65.42 H new ATOM 458 N GLN A 26 15.579 -8.169 -9.781 1.00 42.22 N ATOM 459 CA GLN A 26 15.440 -7.085 -10.739 1.00 1.04 C ATOM 460 C GLN A 26 15.602 -5.734 -10.038 1.00 74.23 C ATOM 461 O GLN A 26 16.416 -4.910 -10.453 1.00 72.32 O ATOM 462 CB GLN A 26 14.098 -7.167 -11.468 1.00 4.32 C ATOM 463 CG GLN A 26 14.056 -8.375 -12.406 1.00 11.50 C ATOM 464 CD GLN A 26 13.059 -8.151 -13.545 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.477 -7.088 -13.695 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.895 -9.207 -14.336 1.00 14.23 N ATOM 0 H GLN A 26 14.784 -8.288 -9.154 1.00 42.22 H new ATOM 0 HA GLN A 26 16.228 -7.182 -11.486 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.289 -7.238 -10.741 1.00 4.32 H new ATOM 0 HB3 GLN A 26 13.934 -6.253 -12.039 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.049 -8.555 -12.818 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.777 -9.267 -11.844 1.00 11.50 H new ATOM 0 HE21 GLN A 26 13.414 -10.066 -14.154 1.00 14.23 H new ATOM 0 HE22 GLN A 26 12.251 -9.158 -15.125 1.00 14.23 H new ATOM 475 N HIS A 27 14.815 -5.549 -8.989 1.00 51.23 N ATOM 476 CA HIS A 27 14.862 -4.312 -8.227 1.00 52.43 C ATOM 477 C HIS A 27 15.217 -4.619 -6.770 1.00 72.33 C ATOM 478 O HIS A 27 14.337 -4.688 -5.914 1.00 1.33 O ATOM 479 CB HIS A 27 13.548 -3.539 -8.367 1.00 21.24 C ATOM 480 CG HIS A 27 12.997 -3.514 -9.772 1.00 74.33 C ATOM 481 ND1 HIS A 27 12.968 -2.368 -10.546 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.454 -4.508 -10.534 1.00 21.41 C ATOM 483 CE1 HIS A 27 12.429 -2.669 -11.719 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.111 -3.995 -11.709 1.00 22.24 N ATOM 0 H HIS A 27 14.141 -6.235 -8.648 1.00 51.23 H new ATOM 0 HA HIS A 27 15.643 -3.664 -8.625 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.805 -3.983 -7.704 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.704 -2.514 -8.031 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.325 -5.537 -10.232 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.270 -1.984 -12.539 1.00 74.54 H new ATOM 0 HE2 HIS A 27 11.680 -4.508 -12.478 1.00 22.24 H new ATOM 492 N PRO A 28 16.543 -4.802 -6.529 1.00 55.03 N ATOM 493 CA PRO A 28 17.026 -5.100 -5.192 1.00 41.14 C ATOM 494 C PRO A 28 17.000 -3.851 -4.308 1.00 41.12 C ATOM 495 O PRO A 28 16.734 -3.939 -3.110 1.00 74.04 O ATOM 496 CB PRO A 28 18.425 -5.656 -5.394 1.00 22.43 C ATOM 497 CG PRO A 28 18.851 -5.219 -6.786 1.00 40.31 C ATOM 498 CD PRO A 28 17.613 -4.729 -7.519 1.00 2.23 C ATOM 0 HA PRO A 28 16.397 -5.821 -4.669 1.00 41.14 H new ATOM 0 HB2 PRO A 28 19.110 -5.273 -4.638 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.430 -6.743 -5.307 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.598 -4.427 -6.726 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.309 -6.049 -7.323 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.746 -3.711 -7.884 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.394 -5.352 -8.386 1.00 2.23 H new ATOM 506 N THR A 29 17.281 -2.717 -4.934 1.00 63.23 N ATOM 507 CA THR A 29 17.294 -1.451 -4.219 1.00 35.40 C ATOM 508 C THR A 29 15.907 -0.807 -4.251 1.00 2.51 C ATOM 509 O THR A 29 15.788 0.417 -4.281 1.00 3.01 O ATOM 510 CB THR A 29 18.386 -0.574 -4.833 1.00 72.21 C ATOM 511 OG1 THR A 29 18.030 -0.487 -6.210 1.00 20.14 O ATOM 512 CG2 THR A 29 19.753 -1.261 -4.845 1.00 4.31 C ATOM 0 H THR A 29 17.501 -2.648 -5.928 1.00 63.23 H new ATOM 0 HA THR A 29 17.527 -1.594 -3.164 1.00 35.40 H new ATOM 0 HB THR A 29 18.454 0.361 -4.276 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.686 0.067 -6.683 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.491 -0.595 -5.291 1.00 4.31 H new ATOM 0 HG22 THR A 29 20.050 -1.499 -3.823 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.693 -2.180 -5.429 1.00 4.31 H new ATOM 520 N LYS A 30 14.893 -1.660 -4.243 1.00 73.12 N ATOM 521 CA LYS A 30 13.519 -1.189 -4.271 1.00 13.34 C ATOM 522 C LYS A 30 12.678 -2.026 -3.304 1.00 74.25 C ATOM 523 O LYS A 30 12.950 -3.208 -3.103 1.00 52.32 O ATOM 524 CB LYS A 30 12.984 -1.182 -5.705 1.00 53.11 C ATOM 525 CG LYS A 30 13.691 -0.120 -6.548 1.00 74.24 C ATOM 526 CD LYS A 30 12.961 1.222 -6.465 1.00 31.34 C ATOM 527 CE LYS A 30 13.121 2.015 -7.763 1.00 62.14 C ATOM 528 NZ LYS A 30 13.117 3.469 -7.486 1.00 64.44 N ATOM 0 H LYS A 30 14.996 -2.674 -4.218 1.00 73.12 H new ATOM 0 HA LYS A 30 13.463 -0.155 -3.930 1.00 13.34 H new ATOM 0 HB2 LYS A 30 13.128 -2.164 -6.155 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.911 -0.989 -5.696 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.718 -0.001 -6.203 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.740 -0.448 -7.586 1.00 74.24 H new ATOM 0 HD2 LYS A 30 11.903 1.053 -6.266 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.353 1.802 -5.630 1.00 31.34 H new ATOM 0 HE2 LYS A 30 14.053 1.735 -8.255 1.00 62.14 H new ATOM 0 HE3 LYS A 30 12.311 1.767 -8.450 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 13.227 3.993 -8.378 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.217 3.734 -7.037 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 13.904 3.703 -6.848 1.00 64.44 H new ATOM 541 N ILE A 31 11.673 -1.380 -2.733 1.00 11.23 N ATOM 542 CA ILE A 31 10.791 -2.050 -1.793 1.00 34.53 C ATOM 543 C ILE A 31 9.481 -2.409 -2.497 1.00 61.33 C ATOM 544 O ILE A 31 8.720 -1.525 -2.888 1.00 14.43 O ATOM 545 CB ILE A 31 10.601 -1.198 -0.536 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.947 -0.847 0.098 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.661 -1.886 0.456 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.621 -2.092 0.677 1.00 43.44 C ATOM 0 H ILE A 31 11.450 -0.399 -2.903 1.00 11.23 H new ATOM 0 HA ILE A 31 11.236 -2.985 -1.452 1.00 34.53 H new ATOM 0 HB ILE A 31 10.130 -0.260 -0.828 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.597 -0.391 -0.649 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.800 -0.109 0.886 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.543 -1.259 1.340 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.689 -2.040 -0.011 1.00 3.42 H new ATOM 0 HG23 ILE A 31 10.081 -2.849 0.747 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.577 -1.815 1.122 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.979 -2.531 1.441 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.788 -2.818 -0.118 1.00 43.44 H new ATOM 560 N PRO A 32 9.252 -3.742 -2.641 1.00 41.13 N ATOM 561 CA PRO A 32 8.048 -4.229 -3.290 1.00 31.23 C ATOM 562 C PRO A 32 6.833 -4.085 -2.372 1.00 60.01 C ATOM 563 O PRO A 32 6.909 -4.388 -1.182 1.00 33.01 O ATOM 564 CB PRO A 32 8.352 -5.674 -3.650 1.00 4.31 C ATOM 565 CG PRO A 32 9.531 -6.081 -2.780 1.00 32.45 C ATOM 566 CD PRO A 32 10.132 -4.817 -2.189 1.00 10.22 C ATOM 0 HA PRO A 32 7.790 -3.656 -4.181 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.489 -6.313 -3.462 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.596 -5.770 -4.708 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.206 -6.756 -1.988 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.274 -6.617 -3.370 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.169 -4.867 -1.101 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.154 -4.665 -2.536 1.00 10.22 H new ATOM 574 N VAL A 33 5.739 -3.621 -2.958 1.00 12.13 N ATOM 575 CA VAL A 33 4.509 -3.432 -2.208 1.00 24.23 C ATOM 576 C VAL A 33 3.313 -3.716 -3.119 1.00 4.32 C ATOM 577 O VAL A 33 3.380 -3.493 -4.326 1.00 1.31 O ATOM 578 CB VAL A 33 4.477 -2.029 -1.599 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.858 -1.629 -1.074 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.956 -1.005 -2.609 1.00 4.04 C ATOM 0 H VAL A 33 5.679 -3.370 -3.945 1.00 12.13 H new ATOM 0 HA VAL A 33 4.458 -4.134 -1.375 1.00 24.23 H new ATOM 0 HB VAL A 33 3.789 -2.045 -0.754 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.809 -0.628 -0.646 1.00 5.21 H new ATOM 0 HG12 VAL A 33 6.175 -2.336 -0.307 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.576 -1.638 -1.894 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.943 -0.016 -2.151 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.608 -0.992 -3.483 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.945 -1.277 -2.914 1.00 4.04 H new ATOM 590 N ILE A 34 2.245 -4.205 -2.505 1.00 53.34 N ATOM 591 CA ILE A 34 1.035 -4.521 -3.245 1.00 0.30 C ATOM 592 C ILE A 34 -0.129 -3.702 -2.685 1.00 63.12 C ATOM 593 O ILE A 34 -0.756 -4.098 -1.704 1.00 30.23 O ATOM 594 CB ILE A 34 0.784 -6.030 -3.240 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.902 -6.774 -3.976 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.596 -6.358 -3.814 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.564 -6.944 -5.458 1.00 42.24 C ATOM 0 H ILE A 34 2.193 -4.390 -1.503 1.00 53.34 H new ATOM 0 HA ILE A 34 1.145 -4.242 -4.293 1.00 0.30 H new ATOM 0 HB ILE A 34 0.793 -6.375 -2.206 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.838 -6.225 -3.873 1.00 35.11 H new ATOM 0 HG13 ILE A 34 2.055 -7.752 -3.520 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.749 -7.437 -3.799 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.365 -5.874 -3.212 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.658 -5.997 -4.841 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.374 -7.475 -5.957 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.641 -7.514 -5.557 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.436 -5.964 -5.917 1.00 42.24 H new ATOM 609 N ILE A 35 -0.383 -2.574 -3.332 1.00 13.32 N ATOM 610 CA ILE A 35 -1.461 -1.696 -2.911 1.00 43.02 C ATOM 611 C ILE A 35 -2.737 -2.059 -3.674 1.00 62.52 C ATOM 612 O ILE A 35 -2.730 -2.133 -4.902 1.00 31.22 O ATOM 613 CB ILE A 35 -1.050 -0.231 -3.064 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.216 0.070 -2.258 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.202 0.705 -2.692 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.862 1.379 -2.719 1.00 12.23 C ATOM 0 H ILE A 35 0.140 -2.248 -4.145 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.672 -1.835 -1.851 1.00 43.02 H new ATOM 0 HB ILE A 35 -0.815 -0.050 -4.113 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.030 0.135 -1.198 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.926 -0.749 -2.370 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.882 1.740 -2.810 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.053 0.512 -3.345 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.492 0.531 -1.656 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.759 1.569 -2.130 1.00 12.23 H new ATOM 0 HD12 ILE A 35 1.129 1.301 -3.773 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.158 2.200 -2.583 1.00 12.23 H new ATOM 628 N GLU A 36 -3.800 -2.277 -2.914 1.00 14.05 N ATOM 629 CA GLU A 36 -5.081 -2.631 -3.504 1.00 10.15 C ATOM 630 C GLU A 36 -6.180 -1.701 -2.984 1.00 32.02 C ATOM 631 O GLU A 36 -5.965 -0.953 -2.031 1.00 33.43 O ATOM 632 CB GLU A 36 -5.426 -4.095 -3.228 1.00 14.40 C ATOM 633 CG GLU A 36 -4.233 -5.006 -3.529 1.00 64.41 C ATOM 634 CD GLU A 36 -4.331 -6.315 -2.743 1.00 73.35 C ATOM 635 OE1 GLU A 36 -5.367 -6.589 -2.122 1.00 11.42 O ATOM 636 OE2 GLU A 36 -3.280 -7.061 -2.796 1.00 2.44 O ATOM 0 H GLU A 36 -3.801 -2.216 -1.896 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.008 -2.507 -4.584 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -5.724 -4.212 -2.186 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.279 -4.393 -3.838 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.195 -5.221 -4.597 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.306 -4.493 -3.274 1.00 64.41 H new ATOM 644 N ARG A 37 -7.333 -1.780 -3.631 1.00 33.23 N ATOM 645 CA ARG A 37 -8.466 -0.956 -3.245 1.00 73.24 C ATOM 646 C ARG A 37 -9.170 -1.557 -2.029 1.00 64.52 C ATOM 647 O ARG A 37 -9.453 -2.754 -2.000 1.00 12.04 O ATOM 648 CB ARG A 37 -9.467 -0.825 -4.394 1.00 51.13 C ATOM 649 CG ARG A 37 -10.293 -2.103 -4.550 1.00 1.41 C ATOM 650 CD ARG A 37 -10.987 -2.145 -5.914 1.00 24.11 C ATOM 651 NE ARG A 37 -11.923 -3.290 -5.970 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.569 -3.685 -7.088 1.00 70.24 C ATOM 653 NH1 ARG A 37 -12.386 -3.028 -8.253 1.00 72.20 N ATOM 654 NH2 ARG A 37 -13.383 -4.722 -7.024 1.00 44.03 N ATOM 0 H ARG A 37 -7.507 -2.402 -4.420 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.086 0.034 -2.995 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.130 0.020 -4.209 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -8.935 -0.616 -5.322 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.647 -2.974 -4.440 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.039 -2.157 -3.757 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.527 -1.214 -6.085 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.244 -2.233 -6.707 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.091 -3.813 -5.111 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.756 -2.227 -8.293 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -12.878 -3.333 -9.093 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -13.516 -5.212 -6.139 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -13.879 -5.033 -7.859 1.00 44.03 H new ATOM 667 N TYR A 38 -9.435 -0.700 -1.054 1.00 2.33 N ATOM 668 CA TYR A 38 -10.103 -1.133 0.163 1.00 20.32 C ATOM 669 C TYR A 38 -11.463 -1.758 -0.151 1.00 54.11 C ATOM 670 O TYR A 38 -12.256 -1.186 -0.898 1.00 13.01 O ATOM 671 CB TYR A 38 -10.315 0.130 0.999 1.00 12.43 C ATOM 672 CG TYR A 38 -11.262 -0.061 2.186 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.609 -0.263 1.968 1.00 42.23 C ATOM 674 CD2 TYR A 38 -10.768 -0.032 3.474 1.00 12.43 C ATOM 675 CE1 TYR A 38 -13.500 -0.444 3.085 1.00 42.11 C ATOM 676 CE2 TYR A 38 -11.658 -0.212 4.591 1.00 53.35 C ATOM 677 CZ TYR A 38 -12.981 -0.409 4.341 1.00 23.24 C ATOM 678 OH TYR A 38 -13.822 -0.579 5.397 1.00 23.44 O ATOM 0 H TYR A 38 -9.200 0.292 -1.081 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.507 -1.883 0.683 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.349 0.474 1.369 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.709 0.917 0.356 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -12.995 -0.285 0.960 1.00 42.23 H new ATOM 0 HD2 TYR A 38 -9.713 0.126 3.644 1.00 12.43 H new ATOM 0 HE1 TYR A 38 -14.557 -0.604 2.928 1.00 42.11 H new ATOM 0 HE2 TYR A 38 -11.284 -0.191 5.604 1.00 53.35 H new ATOM 0 HH TYR A 38 -13.312 -0.531 6.232 1.00 23.44 H new ATOM 688 N LYS A 39 -11.692 -2.924 0.435 1.00 73.55 N ATOM 689 CA LYS A 39 -12.943 -3.633 0.229 1.00 43.43 C ATOM 690 C LYS A 39 -14.113 -2.684 0.497 1.00 21.11 C ATOM 691 O LYS A 39 -14.447 -2.416 1.650 1.00 3.42 O ATOM 692 CB LYS A 39 -12.981 -4.910 1.070 1.00 73.41 C ATOM 693 CG LYS A 39 -12.614 -4.618 2.526 1.00 61.13 C ATOM 694 CD LYS A 39 -13.052 -5.763 3.442 1.00 10.22 C ATOM 695 CE LYS A 39 -14.529 -5.630 3.817 1.00 52.01 C ATOM 696 NZ LYS A 39 -14.693 -4.697 4.955 1.00 32.44 N ATOM 0 H LYS A 39 -11.032 -3.396 1.053 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.029 -3.960 -0.807 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.977 -5.351 1.024 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -12.288 -5.643 0.656 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.537 -4.471 2.611 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -13.089 -3.690 2.845 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -12.884 -6.717 2.943 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -12.442 -5.764 4.346 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -15.097 -5.270 2.959 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -14.933 -6.608 4.079 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -15.701 -4.618 5.197 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -14.167 -5.056 5.777 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -14.326 -3.760 4.692 1.00 32.44 H new ATOM 709 N GLY A 40 -14.703 -2.202 -0.586 1.00 74.45 N ATOM 710 CA GLY A 40 -15.829 -1.288 -0.481 1.00 3.24 C ATOM 711 C GLY A 40 -15.450 0.107 -0.980 1.00 12.21 C ATOM 712 O GLY A 40 -16.180 1.071 -0.753 1.00 40.33 O ATOM 0 H GLY A 40 -14.423 -2.426 -1.541 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.668 -1.671 -1.062 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.160 -1.230 0.556 1.00 3.24 H new ATOM 716 N GLU A 41 -14.309 0.172 -1.651 1.00 33.32 N ATOM 717 CA GLU A 41 -13.825 1.434 -2.185 1.00 32.55 C ATOM 718 C GLU A 41 -14.261 1.596 -3.642 1.00 20.11 C ATOM 719 O GLU A 41 -13.691 0.974 -4.538 1.00 31.05 O ATOM 720 CB GLU A 41 -12.304 1.537 -2.051 1.00 62.14 C ATOM 721 CG GLU A 41 -11.786 2.831 -2.684 1.00 52.41 C ATOM 722 CD GLU A 41 -10.448 2.597 -3.391 1.00 41.41 C ATOM 723 OE1 GLU A 41 -9.515 2.050 -2.786 1.00 62.12 O ATOM 724 OE2 GLU A 41 -10.399 3.007 -4.612 1.00 34.32 O ATOM 0 H GLU A 41 -13.706 -0.629 -1.837 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.264 2.245 -1.604 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.025 1.506 -0.998 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -11.834 0.679 -2.531 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -12.518 3.209 -3.398 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.667 3.594 -1.915 1.00 52.41 H new ATOM 732 N LYS A 42 -15.267 2.436 -3.835 1.00 64.40 N ATOM 733 CA LYS A 42 -15.786 2.688 -5.169 1.00 2.11 C ATOM 734 C LYS A 42 -15.525 4.148 -5.545 1.00 14.01 C ATOM 735 O LYS A 42 -15.284 4.459 -6.710 1.00 33.23 O ATOM 736 CB LYS A 42 -17.259 2.284 -5.257 1.00 13.31 C ATOM 737 CG LYS A 42 -18.137 3.232 -4.436 1.00 45.50 C ATOM 738 CD LYS A 42 -18.188 2.799 -2.970 1.00 43.25 C ATOM 739 CE LYS A 42 -19.591 2.991 -2.390 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.349 1.720 -2.438 1.00 23.20 N ATOM 0 H LYS A 42 -15.737 2.951 -3.090 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.267 2.071 -5.903 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.581 2.294 -6.298 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.382 1.263 -4.895 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -17.747 4.247 -4.506 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -19.145 3.249 -4.849 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.896 1.752 -2.886 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.469 3.378 -2.391 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.521 3.341 -1.360 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -20.122 3.759 -2.952 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.299 1.867 -2.041 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -20.432 1.402 -3.425 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.850 0.997 -1.882 1.00 23.20 H new ATOM 753 N GLN A 43 -15.583 5.005 -4.536 1.00 63.45 N ATOM 754 CA GLN A 43 -15.356 6.425 -4.746 1.00 43.21 C ATOM 755 C GLN A 43 -14.048 6.647 -5.509 1.00 65.15 C ATOM 756 O GLN A 43 -14.065 6.976 -6.694 1.00 23.23 O ATOM 757 CB GLN A 43 -15.350 7.182 -3.416 1.00 65.43 C ATOM 758 CG GLN A 43 -16.767 7.604 -3.021 1.00 61.32 C ATOM 759 CD GLN A 43 -17.196 8.862 -3.777 1.00 0.41 C ATOM 760 OE1 GLN A 43 -16.441 9.450 -4.535 1.00 34.35 O ATOM 761 NE2 GLN A 43 -18.447 9.241 -3.532 1.00 61.50 N ATOM 0 H GLN A 43 -15.784 4.743 -3.571 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.176 6.819 -5.347 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.923 6.551 -2.636 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.713 8.063 -3.497 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.464 6.793 -3.233 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.809 7.789 -1.948 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -19.026 8.704 -2.886 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -18.828 10.069 -3.990 1.00 61.50 H new ATOM 770 N LEU A 44 -12.947 6.457 -4.798 1.00 70.13 N ATOM 771 CA LEU A 44 -11.632 6.632 -5.393 1.00 74.32 C ATOM 772 C LEU A 44 -11.522 5.754 -6.643 1.00 11.20 C ATOM 773 O LEU A 44 -12.112 4.677 -6.702 1.00 43.35 O ATOM 774 CB LEU A 44 -10.536 6.369 -4.359 1.00 23.41 C ATOM 775 CG LEU A 44 -10.514 7.309 -3.152 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.219 6.538 -1.863 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.529 8.459 -3.370 1.00 10.25 C ATOM 0 H LEU A 44 -12.938 6.184 -3.815 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.494 7.664 -5.714 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.644 5.347 -3.997 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.570 6.430 -4.860 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.505 7.750 -3.044 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -10.209 7.229 -1.020 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -10.990 5.784 -1.705 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.247 6.051 -1.945 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.533 9.112 -2.497 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.527 8.057 -3.517 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.824 9.029 -4.251 1.00 10.25 H new ATOM 789 N PRO A 45 -10.743 6.262 -7.635 1.00 31.11 N ATOM 790 CA PRO A 45 -10.548 5.537 -8.879 1.00 72.02 C ATOM 791 C PRO A 45 -9.591 4.360 -8.682 1.00 4.31 C ATOM 792 O PRO A 45 -8.956 4.239 -7.636 1.00 31.03 O ATOM 793 CB PRO A 45 -10.023 6.573 -9.860 1.00 14.10 C ATOM 794 CG PRO A 45 -9.505 7.724 -9.012 1.00 24.31 C ATOM 795 CD PRO A 45 -10.030 7.536 -7.599 1.00 12.34 C ATOM 0 HA PRO A 45 -11.467 5.085 -9.252 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.229 6.157 -10.480 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.812 6.908 -10.534 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.415 7.740 -9.015 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.839 8.678 -9.419 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.216 7.514 -6.874 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.692 8.352 -7.311 1.00 12.34 H new ATOM 803 N VAL A 46 -9.517 3.522 -9.706 1.00 55.41 N ATOM 804 CA VAL A 46 -8.647 2.358 -9.660 1.00 62.40 C ATOM 805 C VAL A 46 -7.210 2.789 -9.955 1.00 24.11 C ATOM 806 O VAL A 46 -6.959 3.510 -10.920 1.00 23.43 O ATOM 807 CB VAL A 46 -9.159 1.285 -10.623 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.218 0.078 -10.648 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.585 0.860 -10.262 1.00 2.32 C ATOM 0 H VAL A 46 -10.045 3.626 -10.572 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.655 1.914 -8.665 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.180 1.715 -11.624 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.604 -0.670 -11.340 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.227 0.396 -10.973 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.151 -0.352 -9.649 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -10.925 0.097 -10.962 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.599 0.456 -9.250 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.247 1.724 -10.317 1.00 2.32 H new ATOM 819 N LEU A 47 -6.303 2.330 -9.105 1.00 70.21 N ATOM 820 CA LEU A 47 -4.896 2.659 -9.263 1.00 52.54 C ATOM 821 C LEU A 47 -4.397 2.118 -10.604 1.00 0.41 C ATOM 822 O LEU A 47 -4.869 1.085 -11.074 1.00 44.05 O ATOM 823 CB LEU A 47 -4.091 2.160 -8.060 1.00 21.34 C ATOM 824 CG LEU A 47 -3.026 3.119 -7.522 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.113 3.610 -8.646 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.668 4.278 -6.757 1.00 2.31 C ATOM 0 H LEU A 47 -6.515 1.733 -8.305 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.758 3.740 -9.284 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.786 1.930 -7.253 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.604 1.225 -8.336 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.401 2.574 -6.815 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.366 4.290 -8.237 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.614 2.758 -9.108 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.707 4.133 -9.395 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.889 4.944 -6.385 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.331 4.830 -7.423 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.241 3.886 -5.917 1.00 2.31 H new ATOM 838 N ASP A 48 -3.449 2.841 -11.182 1.00 34.23 N ATOM 839 CA ASP A 48 -2.882 2.447 -12.460 1.00 65.12 C ATOM 840 C ASP A 48 -2.539 0.957 -12.423 1.00 61.25 C ATOM 841 O ASP A 48 -2.769 0.239 -13.396 1.00 1.55 O ATOM 842 CB ASP A 48 -1.594 3.220 -12.752 1.00 32.20 C ATOM 843 CG ASP A 48 -1.798 4.619 -13.335 1.00 54.14 C ATOM 844 OD1 ASP A 48 -1.939 5.605 -12.597 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.809 4.677 -14.625 1.00 33.14 O ATOM 0 H ASP A 48 -3.059 3.698 -10.788 1.00 34.23 H new ATOM 0 HA ASP A 48 -3.617 2.662 -13.236 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.023 3.308 -11.828 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -0.988 2.638 -13.447 1.00 32.20 H new ATOM 851 N LYS A 49 -1.997 0.534 -11.291 1.00 34.30 N ATOM 852 CA LYS A 49 -1.622 -0.858 -11.114 1.00 13.11 C ATOM 853 C LYS A 49 -1.654 -1.206 -9.624 1.00 55.44 C ATOM 854 O LYS A 49 -2.068 -0.390 -8.801 1.00 64.03 O ATOM 855 CB LYS A 49 -0.274 -1.139 -11.782 1.00 53.23 C ATOM 856 CG LYS A 49 0.820 -0.235 -11.209 1.00 52.12 C ATOM 857 CD LYS A 49 0.960 1.045 -12.035 1.00 15.23 C ATOM 858 CE LYS A 49 1.380 0.728 -13.472 1.00 51.44 C ATOM 859 NZ LYS A 49 0.195 0.671 -14.356 1.00 4.25 N ATOM 0 H LYS A 49 -1.808 1.132 -10.486 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.340 -1.511 -11.610 1.00 13.11 H new ATOM 0 HB2 LYS A 49 -0.002 -2.184 -11.635 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.356 -0.980 -12.857 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.583 0.019 -10.176 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.770 -0.770 -11.196 1.00 52.12 H new ATOM 0 HD2 LYS A 49 0.013 1.584 -12.040 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.698 1.701 -11.573 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.073 1.489 -13.831 1.00 51.44 H new ATOM 0 HE3 LYS A 49 1.909 -0.224 -13.501 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 0.317 -0.092 -15.052 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 -0.655 0.487 -13.786 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.088 1.578 -14.853 1.00 4.25 H new ATOM 872 N THR A 50 -1.212 -2.418 -9.322 1.00 62.40 N ATOM 873 CA THR A 50 -1.185 -2.883 -7.946 1.00 12.42 C ATOM 874 C THR A 50 0.258 -3.053 -7.469 1.00 13.32 C ATOM 875 O THR A 50 0.545 -2.906 -6.282 1.00 13.53 O ATOM 876 CB THR A 50 -2.008 -4.171 -7.866 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.244 -3.834 -8.488 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.398 -4.529 -6.431 1.00 4.14 C ATOM 0 H THR A 50 -0.870 -3.092 -10.007 1.00 62.40 H new ATOM 0 HA THR A 50 -1.632 -2.152 -7.272 1.00 12.42 H new ATOM 0 HB THR A 50 -1.439 -4.992 -8.303 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.774 -4.647 -8.625 1.00 33.22 H new ATOM 0 HG21 THR A 50 -2.980 -5.450 -6.431 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.497 -4.669 -5.833 1.00 4.14 H new ATOM 0 HG23 THR A 50 -2.995 -3.723 -6.004 1.00 4.14 H new ATOM 886 N LYS A 51 1.129 -3.360 -8.418 1.00 63.11 N ATOM 887 CA LYS A 51 2.537 -3.552 -8.110 1.00 2.24 C ATOM 888 C LYS A 51 3.262 -2.208 -8.204 1.00 2.53 C ATOM 889 O LYS A 51 3.220 -1.548 -9.241 1.00 22.21 O ATOM 890 CB LYS A 51 3.138 -4.639 -9.003 1.00 62.34 C ATOM 891 CG LYS A 51 2.366 -5.953 -8.862 1.00 12.21 C ATOM 892 CD LYS A 51 3.305 -7.155 -8.975 1.00 14.34 C ATOM 893 CE LYS A 51 3.224 -7.785 -10.367 1.00 70.11 C ATOM 894 NZ LYS A 51 1.847 -8.247 -10.649 1.00 74.50 N ATOM 0 H LYS A 51 0.888 -3.481 -9.402 1.00 63.11 H new ATOM 0 HA LYS A 51 2.658 -3.910 -7.088 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.120 -4.312 -10.043 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.183 -4.797 -8.737 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.854 -5.976 -7.900 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.599 -6.013 -9.634 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.329 -6.841 -8.773 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.044 -7.897 -8.220 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.531 -7.059 -11.119 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.916 -8.625 -10.433 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.881 -9.088 -11.260 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.372 -8.487 -9.756 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.319 -7.491 -11.130 1.00 74.50 H new ATOM 907 N PHE A 52 3.910 -1.844 -7.107 1.00 55.52 N ATOM 908 CA PHE A 52 4.644 -0.591 -7.053 1.00 12.53 C ATOM 909 C PHE A 52 6.046 -0.800 -6.475 1.00 23.41 C ATOM 910 O PHE A 52 6.241 -1.647 -5.605 1.00 20.35 O ATOM 911 CB PHE A 52 3.860 0.347 -6.132 1.00 64.54 C ATOM 912 CG PHE A 52 2.461 0.693 -6.642 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.412 -0.127 -6.363 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.264 1.822 -7.374 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.113 0.195 -6.837 1.00 5.33 C ATOM 916 CE2 PHE A 52 0.965 2.145 -7.848 1.00 50.35 C ATOM 917 CZ PHE A 52 -0.083 1.324 -7.569 1.00 13.42 C ATOM 0 H PHE A 52 3.942 -2.395 -6.249 1.00 55.52 H new ATOM 0 HA PHE A 52 4.752 -0.180 -8.057 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.773 -0.115 -5.149 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.427 1.269 -6.002 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.567 -1.023 -5.781 1.00 50.44 H new ATOM 0 HD2 PHE A 52 3.096 2.474 -7.595 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.719 -0.457 -6.616 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.809 3.042 -8.429 1.00 50.35 H new ATOM 0 HZ PHE A 52 -1.071 1.569 -7.929 1.00 13.42 H new ATOM 927 N LEU A 53 6.983 -0.015 -6.983 1.00 0.05 N ATOM 928 CA LEU A 53 8.361 -0.104 -6.529 1.00 15.10 C ATOM 929 C LEU A 53 8.741 1.191 -5.809 1.00 53.33 C ATOM 930 O LEU A 53 8.984 2.213 -6.449 1.00 23.21 O ATOM 931 CB LEU A 53 9.288 -0.454 -7.694 1.00 22.22 C ATOM 932 CG LEU A 53 9.251 -1.909 -8.168 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.076 -2.092 -9.443 1.00 34.22 C ATOM 934 CD2 LEU A 53 9.696 -2.859 -7.055 1.00 70.04 C ATOM 0 H LEU A 53 6.816 0.686 -7.705 1.00 0.05 H new ATOM 0 HA LEU A 53 8.473 -0.914 -5.809 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.037 0.189 -8.538 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.311 -0.213 -7.403 1.00 22.22 H new ATOM 0 HG LEU A 53 8.220 -2.162 -8.414 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.033 -3.135 -9.758 1.00 34.22 H new ATOM 0 HD12 LEU A 53 9.672 -1.458 -10.232 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.112 -1.814 -9.249 1.00 34.22 H new ATOM 0 HD21 LEU A 53 9.661 -3.886 -7.418 1.00 70.04 H new ATOM 0 HD22 LEU A 53 10.715 -2.615 -6.754 1.00 70.04 H new ATOM 0 HD23 LEU A 53 9.030 -2.753 -6.199 1.00 70.04 H new ATOM 946 N VAL A 54 8.780 1.107 -4.488 1.00 12.25 N ATOM 947 CA VAL A 54 9.126 2.259 -3.673 1.00 54.11 C ATOM 948 C VAL A 54 10.645 2.319 -3.502 1.00 53.14 C ATOM 949 O VAL A 54 11.299 1.287 -3.364 1.00 2.34 O ATOM 950 CB VAL A 54 8.375 2.204 -2.341 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.242 3.600 -1.729 1.00 52.41 C ATOM 952 CG2 VAL A 54 7.004 1.546 -2.512 1.00 33.12 C ATOM 0 H VAL A 54 8.577 0.258 -3.961 1.00 12.25 H new ATOM 0 HA VAL A 54 8.818 3.181 -4.165 1.00 54.11 H new ATOM 0 HB VAL A 54 8.957 1.591 -1.653 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.704 3.533 -0.783 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.234 4.017 -1.554 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.693 4.246 -2.413 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.491 1.519 -1.551 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.411 2.120 -3.224 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.132 0.529 -2.883 1.00 33.12 H new ATOM 962 N PRO A 55 11.176 3.572 -3.516 1.00 45.33 N ATOM 963 CA PRO A 55 12.606 3.780 -3.364 1.00 0.21 C ATOM 964 C PRO A 55 13.038 3.576 -1.910 1.00 50.22 C ATOM 965 O PRO A 55 12.405 4.095 -0.992 1.00 54.10 O ATOM 966 CB PRO A 55 12.853 5.194 -3.864 1.00 72.21 C ATOM 967 CG PRO A 55 11.500 5.886 -3.842 1.00 64.33 C ATOM 968 CD PRO A 55 10.432 4.818 -3.677 1.00 22.13 C ATOM 0 HA PRO A 55 13.198 3.062 -3.931 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.568 5.714 -3.227 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.271 5.185 -4.871 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.452 6.604 -3.023 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.342 6.444 -4.765 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.802 5.018 -2.810 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.775 4.777 -4.546 1.00 22.13 H new ATOM 976 N ASP A 56 14.113 2.819 -1.746 1.00 15.23 N ATOM 977 CA ASP A 56 14.637 2.540 -0.420 1.00 24.22 C ATOM 978 C ASP A 56 15.589 3.664 -0.006 1.00 33.22 C ATOM 979 O ASP A 56 16.673 3.404 0.515 1.00 24.04 O ATOM 980 CB ASP A 56 15.420 1.226 -0.402 1.00 14.44 C ATOM 981 CG ASP A 56 16.831 1.307 -0.988 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.812 0.895 -0.351 1.00 73.21 O ATOM 983 OD2 ASP A 56 16.902 1.825 -2.167 1.00 53.21 O ATOM 0 H ASP A 56 14.635 2.390 -2.510 1.00 15.23 H new ATOM 0 HA ASP A 56 13.794 2.466 0.267 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.490 0.876 0.628 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.855 0.476 -0.956 1.00 14.44 H new ATOM 989 N HIS A 57 15.149 4.890 -0.252 1.00 42.54 N ATOM 990 CA HIS A 57 15.949 6.054 0.089 1.00 33.12 C ATOM 991 C HIS A 57 15.034 7.180 0.575 1.00 34.15 C ATOM 992 O HIS A 57 15.455 8.332 0.664 1.00 74.42 O ATOM 993 CB HIS A 57 16.829 6.472 -1.090 1.00 42.14 C ATOM 994 CG HIS A 57 16.215 7.535 -1.969 1.00 61.13 C ATOM 995 ND1 HIS A 57 14.857 7.599 -2.231 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.786 8.574 -2.642 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.633 8.633 -3.027 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.830 9.237 -3.281 1.00 2.34 N ATOM 0 H HIS A 57 14.249 5.102 -0.683 1.00 42.54 H new ATOM 0 HA HIS A 57 16.629 5.807 0.905 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.782 6.838 -0.707 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.046 5.593 -1.698 1.00 42.14 H new ATOM 0 HD2 HIS A 57 17.838 8.817 -2.653 1.00 44.01 H new ATOM 0 HE1 HIS A 57 13.672 8.944 -3.408 1.00 52.24 H new ATOM 0 HE2 HIS A 57 15.967 10.062 -3.865 1.00 2.34 H new ATOM 1006 N VAL A 58 13.799 6.807 0.877 1.00 51.30 N ATOM 1007 CA VAL A 58 12.821 7.772 1.351 1.00 21.42 C ATOM 1008 C VAL A 58 12.033 7.163 2.513 1.00 52.34 C ATOM 1009 O VAL A 58 12.441 6.151 3.081 1.00 3.12 O ATOM 1010 CB VAL A 58 11.927 8.222 0.194 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.760 8.825 -0.939 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.064 7.068 -0.314 1.00 52.14 C ATOM 0 H VAL A 58 13.453 5.850 0.803 1.00 51.30 H new ATOM 0 HA VAL A 58 13.318 8.666 1.727 1.00 21.42 H new ATOM 0 HB VAL A 58 11.259 8.998 0.569 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.101 9.137 -1.749 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.310 9.689 -0.566 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.463 8.079 -1.310 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.439 7.416 -1.136 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.706 6.260 -0.664 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.431 6.704 0.495 1.00 52.14 H new ATOM 1022 N ASN A 59 10.919 7.805 2.831 1.00 3.10 N ATOM 1023 CA ASN A 59 10.070 7.340 3.915 1.00 53.34 C ATOM 1024 C ASN A 59 8.708 6.933 3.350 1.00 32.55 C ATOM 1025 O ASN A 59 8.317 7.384 2.275 1.00 53.32 O ATOM 1026 CB ASN A 59 9.843 8.444 4.949 1.00 31.55 C ATOM 1027 CG ASN A 59 10.256 9.808 4.395 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.359 10.354 3.578 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.319 10.332 4.688 1.00 14.31 N flip ATOM 0 H ASN A 59 10.584 8.644 2.357 1.00 3.10 H new ATOM 0 HA ASN A 59 10.565 6.495 4.393 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.792 8.467 5.236 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.415 8.226 5.851 1.00 31.55 H new ATOM 0 HD21 ASN A 59 11.963 9.859 5.322 1.00 14.31 H new ATOM 0 HD22 ASN A 59 11.563 11.243 4.299 1.00 14.31 H new ATOM 1036 N MET A 60 8.022 6.084 4.103 1.00 53.42 N ATOM 1037 CA MET A 60 6.711 5.610 3.691 1.00 63.50 C ATOM 1038 C MET A 60 5.828 6.773 3.231 1.00 72.03 C ATOM 1039 O MET A 60 4.896 6.578 2.453 1.00 33.53 O ATOM 1040 CB MET A 60 6.038 4.889 4.860 1.00 54.13 C ATOM 1041 CG MET A 60 5.258 5.873 5.735 1.00 71.53 C ATOM 1042 SD MET A 60 3.607 6.087 5.089 1.00 50.24 S ATOM 1043 CE MET A 60 3.063 4.388 5.059 1.00 24.12 C ATOM 0 H MET A 60 8.349 5.713 4.995 1.00 53.42 H new ATOM 0 HA MET A 60 6.840 4.923 2.855 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.364 4.122 4.479 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.792 4.381 5.461 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.212 5.504 6.760 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.773 6.833 5.765 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.974 4.355 5.046 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.451 3.897 4.167 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.431 3.872 5.946 1.00 24.12 H new ATOM 1053 N SER A 61 6.153 7.956 3.732 1.00 31.15 N ATOM 1054 CA SER A 61 5.401 9.148 3.382 1.00 60.52 C ATOM 1055 C SER A 61 5.451 9.374 1.870 1.00 5.42 C ATOM 1056 O SER A 61 4.413 9.536 1.229 1.00 42.35 O ATOM 1057 CB SER A 61 5.942 10.376 4.120 1.00 24.14 C ATOM 1058 OG SER A 61 6.002 11.522 3.276 1.00 33.42 O ATOM 0 H SER A 61 6.927 8.114 4.377 1.00 31.15 H new ATOM 0 HA SER A 61 4.365 9.000 3.686 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.307 10.591 4.979 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.938 10.158 4.506 1.00 24.14 H new ATOM 0 HG SER A 61 6.350 12.284 3.784 1.00 33.42 H new ATOM 1064 N GLU A 62 6.666 9.378 1.344 1.00 43.34 N ATOM 1065 CA GLU A 62 6.864 9.580 -0.081 1.00 62.30 C ATOM 1066 C GLU A 62 5.869 8.737 -0.881 1.00 2.22 C ATOM 1067 O GLU A 62 5.197 9.246 -1.776 1.00 1.22 O ATOM 1068 CB GLU A 62 8.304 9.260 -0.485 1.00 23.32 C ATOM 1069 CG GLU A 62 9.176 10.516 -0.454 1.00 33.21 C ATOM 1070 CD GLU A 62 8.600 11.606 -1.360 1.00 21.13 C ATOM 1071 OE1 GLU A 62 9.049 12.761 -1.304 1.00 65.32 O ATOM 1072 OE2 GLU A 62 7.651 11.219 -2.144 1.00 22.24 O ATOM 0 H GLU A 62 7.524 9.245 1.879 1.00 43.34 H new ATOM 0 HA GLU A 62 6.683 10.631 -0.307 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.716 8.510 0.190 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.317 8.829 -1.486 1.00 23.32 H new ATOM 0 HG2 GLU A 62 9.248 10.888 0.568 1.00 33.21 H new ATOM 0 HG3 GLU A 62 10.188 10.269 -0.775 1.00 33.21 H new ATOM 1080 N LEU A 63 5.807 7.462 -0.528 1.00 75.35 N ATOM 1081 CA LEU A 63 4.906 6.542 -1.202 1.00 71.31 C ATOM 1082 C LEU A 63 3.503 7.153 -1.250 1.00 34.30 C ATOM 1083 O LEU A 63 2.806 7.039 -2.257 1.00 74.31 O ATOM 1084 CB LEU A 63 4.952 5.164 -0.540 1.00 53.52 C ATOM 1085 CG LEU A 63 3.655 4.353 -0.584 1.00 3.21 C ATOM 1086 CD1 LEU A 63 2.739 4.722 0.583 1.00 21.14 C ATOM 1087 CD2 LEU A 63 2.955 4.513 -1.935 1.00 23.34 C ATOM 0 H LEU A 63 6.366 7.044 0.216 1.00 75.35 H new ATOM 0 HA LEU A 63 5.223 6.386 -2.233 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.738 4.580 -1.018 1.00 53.52 H new ATOM 0 HB3 LEU A 63 5.240 5.294 0.503 1.00 53.52 H new ATOM 0 HG LEU A 63 3.907 3.298 -0.475 1.00 3.21 H new ATOM 0 HD11 LEU A 63 1.824 4.132 0.528 1.00 21.14 H new ATOM 0 HD12 LEU A 63 3.248 4.516 1.524 1.00 21.14 H new ATOM 0 HD13 LEU A 63 2.490 5.782 0.529 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.036 3.927 -1.940 1.00 23.34 H new ATOM 0 HD22 LEU A 63 2.716 5.564 -2.099 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.614 4.163 -2.730 1.00 23.34 H new ATOM 1099 N ILE A 64 3.132 7.790 -0.149 1.00 23.04 N ATOM 1100 CA ILE A 64 1.826 8.419 -0.053 1.00 61.52 C ATOM 1101 C ILE A 64 1.722 9.532 -1.098 1.00 62.30 C ATOM 1102 O ILE A 64 0.636 9.821 -1.597 1.00 14.00 O ATOM 1103 CB ILE A 64 1.563 8.893 1.378 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.875 7.787 2.388 1.00 50.20 C ATOM 1105 CG2 ILE A 64 0.134 9.419 1.528 1.00 30.13 C ATOM 1106 CD1 ILE A 64 0.987 6.563 2.152 1.00 54.44 C ATOM 0 H ILE A 64 3.713 7.884 0.684 1.00 23.04 H new ATOM 0 HA ILE A 64 1.039 7.698 -0.275 1.00 61.52 H new ATOM 0 HB ILE A 64 2.236 9.724 1.591 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.924 7.501 2.307 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.724 8.161 3.401 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.026 9.749 2.554 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.018 10.258 0.849 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.573 8.625 1.288 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.229 5.792 2.883 1.00 54.44 H new ATOM 0 HD12 ILE A 64 -0.060 6.847 2.257 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.159 6.177 1.147 1.00 54.44 H new ATOM 1118 N LYS A 65 2.868 10.127 -1.398 1.00 65.21 N ATOM 1119 CA LYS A 65 2.920 11.201 -2.375 1.00 4.50 C ATOM 1120 C LYS A 65 2.806 10.612 -3.782 1.00 41.42 C ATOM 1121 O LYS A 65 2.270 11.252 -4.684 1.00 64.31 O ATOM 1122 CB LYS A 65 4.172 12.056 -2.164 1.00 50.41 C ATOM 1123 CG LYS A 65 4.494 12.201 -0.676 1.00 31.50 C ATOM 1124 CD LYS A 65 3.289 12.748 0.094 1.00 14.42 C ATOM 1125 CE LYS A 65 3.332 14.275 0.165 1.00 43.24 C ATOM 1126 NZ LYS A 65 2.420 14.867 -0.839 1.00 21.21 N ATOM 0 H LYS A 65 3.767 9.885 -0.981 1.00 65.21 H new ATOM 0 HA LYS A 65 2.075 11.877 -2.244 1.00 4.50 H new ATOM 0 HB2 LYS A 65 5.018 11.602 -2.680 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.022 13.042 -2.605 1.00 50.41 H new ATOM 0 HG2 LYS A 65 4.783 11.233 -0.267 1.00 31.50 H new ATOM 0 HG3 LYS A 65 5.346 12.869 -0.548 1.00 31.50 H new ATOM 0 HD2 LYS A 65 2.367 12.429 -0.392 1.00 14.42 H new ATOM 0 HD3 LYS A 65 3.278 12.334 1.102 1.00 14.42 H new ATOM 0 HE2 LYS A 65 3.047 14.607 1.164 1.00 43.24 H new ATOM 0 HE3 LYS A 65 4.350 14.624 -0.009 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 2.619 15.884 -0.932 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 2.564 14.400 -1.757 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 1.435 14.734 -0.534 1.00 21.21 H new ATOM 1139 N ILE A 66 3.321 9.400 -3.924 1.00 54.04 N ATOM 1140 CA ILE A 66 3.283 8.716 -5.206 1.00 32.11 C ATOM 1141 C ILE A 66 1.845 8.297 -5.514 1.00 63.23 C ATOM 1142 O ILE A 66 1.311 8.629 -6.571 1.00 3.21 O ATOM 1143 CB ILE A 66 4.280 7.555 -5.224 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.660 8.010 -4.746 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.337 6.904 -6.606 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.339 8.895 -5.794 1.00 42.45 C ATOM 0 H ILE A 66 3.767 8.874 -3.173 1.00 54.04 H new ATOM 0 HA ILE A 66 3.597 9.388 -6.005 1.00 32.11 H new ATOM 0 HB ILE A 66 3.933 6.795 -4.525 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.562 8.559 -3.810 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.283 7.139 -4.541 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.053 6.082 -6.592 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.351 6.522 -6.869 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.648 7.643 -7.344 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.318 9.205 -5.429 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.458 8.335 -6.721 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.725 9.777 -5.979 1.00 42.45 H new ATOM 1158 N ILE A 67 1.258 7.574 -4.572 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.109 7.107 -4.729 1.00 32.34 C ATOM 1160 C ILE A 67 -1.011 8.291 -5.082 1.00 73.40 C ATOM 1161 O ILE A 67 -1.628 8.310 -6.147 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.559 6.340 -3.484 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.145 4.985 -3.390 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -2.082 6.197 -3.449 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.417 4.002 -4.419 1.00 74.11 C ATOM 0 H ILE A 67 1.704 7.300 -3.697 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.177 6.398 -5.554 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.269 6.916 -2.605 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.215 5.115 -3.553 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.023 4.576 -2.387 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.375 5.648 -2.554 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.540 7.186 -3.435 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.417 5.655 -4.333 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.101 3.047 -4.331 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.482 3.855 -4.238 1.00 74.11 H new ATOM 0 HD13 ILE A 67 -0.271 4.402 -5.422 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.060 9.249 -4.168 1.00 44.40 N ATOM 1178 CA ARG A 68 -1.877 10.433 -4.370 1.00 13.42 C ATOM 1179 C ARG A 68 -1.480 11.138 -5.668 1.00 51.22 C ATOM 1180 O ARG A 68 -2.269 11.888 -6.239 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.729 11.410 -3.202 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.344 12.061 -3.204 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.168 12.980 -1.993 1.00 24.23 C ATOM 1184 NE ARG A 68 -0.489 12.245 -0.749 1.00 63.13 N ATOM 1185 CZ ARG A 68 -1.720 12.191 -0.198 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -2.759 12.830 -0.778 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -1.893 11.505 0.916 1.00 64.55 N ATOM 0 H ARG A 68 -0.547 9.229 -3.286 1.00 44.40 H new ATOM 0 HA ARG A 68 -2.917 10.111 -4.431 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.497 12.181 -3.268 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.886 10.883 -2.261 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.425 11.288 -3.193 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.208 12.633 -4.122 1.00 12.22 H new ATOM 0 HD2 ARG A 68 0.857 13.350 -1.953 1.00 24.23 H new ATOM 0 HD3 ARG A 68 -0.817 13.850 -2.089 1.00 24.23 H new ATOM 0 HE ARG A 68 0.267 11.748 -0.279 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -2.617 13.358 -1.639 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -3.686 12.784 -0.355 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -1.103 11.026 1.348 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -2.817 11.454 1.345 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.255 10.871 -6.098 1.00 52.40 N ATOM 1201 CA ARG A 69 0.258 11.470 -7.319 1.00 45.24 C ATOM 1202 C ARG A 69 -0.275 10.721 -8.542 1.00 0.14 C ATOM 1203 O ARG A 69 -0.358 11.284 -9.632 1.00 4.20 O ATOM 1204 CB ARG A 69 1.787 11.449 -7.343 1.00 70.32 C ATOM 1205 CG ARG A 69 2.362 12.757 -6.797 1.00 44.21 C ATOM 1206 CD ARG A 69 2.558 13.780 -7.917 1.00 0.22 C ATOM 1207 NE ARG A 69 2.696 15.138 -7.344 1.00 10.40 N ATOM 1208 CZ ARG A 69 2.553 16.277 -8.054 1.00 73.23 C ATOM 1209 NH1 ARG A 69 2.268 16.231 -9.373 1.00 43.44 N ATOM 1210 NH2 ARG A 69 2.698 17.436 -7.440 1.00 11.44 N ATOM 0 H ARG A 69 0.397 10.248 -5.622 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.080 12.506 -7.347 1.00 45.24 H new ATOM 0 HB2 ARG A 69 2.152 10.611 -6.749 1.00 70.32 H new ATOM 0 HB3 ARG A 69 2.136 11.292 -8.364 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.692 13.165 -6.040 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.316 12.562 -6.307 1.00 44.21 H new ATOM 0 HD2 ARG A 69 3.446 13.530 -8.498 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.710 13.749 -8.601 1.00 0.22 H new ATOM 0 HE ARG A 69 2.913 15.218 -6.350 1.00 10.40 H new ATOM 0 HH11 ARG A 69 2.159 15.331 -9.840 1.00 43.44 H new ATOM 0 HH12 ARG A 69 2.162 17.096 -9.902 1.00 43.44 H new ATOM 0 HH21 ARG A 69 2.915 17.462 -6.444 1.00 11.44 H new ATOM 0 HH22 ARG A 69 2.593 18.306 -7.962 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.624 9.463 -8.319 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.147 8.630 -9.390 1.00 12.55 C ATOM 1225 C ARG A 70 -2.650 8.862 -9.556 1.00 23.22 C ATOM 1226 O ARG A 70 -3.136 9.026 -10.675 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.895 7.148 -9.109 1.00 25.13 C ATOM 1228 CG ARG A 70 0.440 6.696 -9.704 1.00 50.40 C ATOM 1229 CD ARG A 70 1.571 6.831 -8.681 1.00 24.25 C ATOM 1230 NE ARG A 70 2.239 8.143 -8.837 1.00 54.32 N ATOM 1231 CZ ARG A 70 3.247 8.381 -9.703 1.00 71.15 C ATOM 1232 NH1 ARG A 70 3.711 7.397 -10.502 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.770 9.591 -9.758 1.00 40.12 N ATOM 0 H ARG A 70 -0.555 9.000 -7.413 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.629 8.907 -10.308 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -0.895 6.973 -8.033 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.705 6.552 -9.529 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.364 5.659 -10.032 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.670 7.293 -10.586 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.173 6.734 -7.671 1.00 24.25 H new ATOM 0 HD3 ARG A 70 2.294 6.027 -8.817 1.00 24.25 H new ATOM 0 HE ARG A 70 1.918 8.915 -8.254 1.00 54.32 H new ATOM 0 HH11 ARG A 70 3.300 6.465 -10.454 1.00 51.00 H new ATOM 0 HH12 ARG A 70 4.473 7.586 -11.153 1.00 51.00 H new ATOM 0 HH21 ARG A 70 3.412 10.329 -9.152 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.532 9.788 -10.407 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.344 8.870 -8.428 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.782 9.079 -8.434 1.00 61.25 C ATOM 1248 C LEU A 71 -5.084 10.503 -8.904 1.00 45.53 C ATOM 1249 O LEU A 71 -6.166 10.774 -9.421 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.379 8.742 -7.067 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.256 7.284 -6.622 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.116 7.183 -5.102 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.428 6.450 -7.145 1.00 31.15 C ATOM 0 H LEU A 71 -2.937 8.735 -7.503 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.262 8.402 -9.140 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.899 9.371 -6.318 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.436 9.010 -7.078 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.346 6.871 -7.057 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.030 6.135 -4.813 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.224 7.722 -4.782 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -5.994 7.620 -4.626 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.316 5.417 -6.814 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.364 6.855 -6.759 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.440 6.483 -8.234 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.106 11.376 -8.707 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.253 12.767 -9.104 1.00 2.32 C ATOM 1267 C GLN A 72 -5.685 13.243 -8.846 1.00 41.52 C ATOM 1268 O GLN A 72 -6.318 13.822 -9.728 1.00 73.52 O ATOM 1269 CB GLN A 72 -3.866 12.961 -10.571 1.00 45.04 C ATOM 1270 CG GLN A 72 -4.694 12.054 -11.482 1.00 10.21 C ATOM 1271 CD GLN A 72 -4.430 12.370 -12.956 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -4.380 13.516 -13.373 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -4.265 11.293 -13.719 1.00 53.14 N ATOM 0 H GLN A 72 -3.209 11.147 -8.278 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.576 13.372 -8.501 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.016 14.002 -10.855 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -2.806 12.744 -10.703 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -4.451 11.011 -11.281 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -5.754 12.182 -11.263 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -4.319 10.362 -13.306 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -4.084 11.398 -14.717 1.00 53.14 H new ATOM 1282 N LEU A 73 -6.153 12.981 -7.635 1.00 45.22 N ATOM 1283 CA LEU A 73 -7.497 13.377 -7.250 1.00 53.22 C ATOM 1284 C LEU A 73 -7.541 14.892 -7.050 1.00 1.12 C ATOM 1285 O LEU A 73 -6.564 15.587 -7.328 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.961 12.581 -6.029 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.617 11.090 -6.029 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -7.238 10.615 -4.625 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.758 10.264 -6.626 1.00 40.04 C ATOM 0 H LEU A 73 -5.625 12.499 -6.907 1.00 45.22 H new ATOM 0 HA LEU A 73 -8.206 13.140 -8.044 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -7.526 13.034 -5.138 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -9.043 12.684 -5.943 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.745 10.940 -6.665 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.998 9.552 -4.653 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -6.370 11.174 -4.274 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -8.075 10.780 -3.947 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.488 9.208 -6.614 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.663 10.414 -6.037 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.938 10.581 -7.653 1.00 40.04 H new ATOM 1301 N ASN A 74 -8.684 15.361 -6.570 1.00 35.22 N ATOM 1302 CA ASN A 74 -8.866 16.782 -6.329 1.00 74.20 C ATOM 1303 C ASN A 74 -8.782 17.056 -4.826 1.00 51.40 C ATOM 1304 O ASN A 74 -8.494 16.152 -4.042 1.00 1.13 O ATOM 1305 CB ASN A 74 -10.239 17.251 -6.818 1.00 44.21 C ATOM 1306 CG ASN A 74 -11.349 16.336 -6.296 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -11.119 15.408 -5.538 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -12.561 16.648 -6.742 1.00 1.30 N ATOM 0 H ASN A 74 -9.492 14.782 -6.342 1.00 35.22 H new ATOM 0 HA ASN A 74 -8.086 17.318 -6.870 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -10.418 18.273 -6.484 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -10.256 17.264 -7.908 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -13.369 16.097 -6.451 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -12.684 17.438 -7.375 1.00 1.30 H new ATOM 1315 N ALA A 75 -9.037 18.306 -4.469 1.00 12.11 N ATOM 1316 CA ALA A 75 -8.993 18.710 -3.074 1.00 24.42 C ATOM 1317 C ALA A 75 -10.272 18.248 -2.373 1.00 44.43 C ATOM 1318 O ALA A 75 -10.343 18.239 -1.145 1.00 11.42 O ATOM 1319 CB ALA A 75 -8.793 20.224 -2.986 1.00 14.40 C ATOM 0 H ALA A 75 -9.275 19.053 -5.122 1.00 12.11 H new ATOM 0 HA ALA A 75 -8.151 18.241 -2.565 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -8.760 20.526 -1.939 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -7.856 20.496 -3.472 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -9.620 20.730 -3.484 1.00 14.40 H new ATOM 1325 N ASN A 76 -11.252 17.877 -3.184 1.00 1.33 N ATOM 1326 CA ASN A 76 -12.525 17.416 -2.658 1.00 24.12 C ATOM 1327 C ASN A 76 -12.418 15.931 -2.302 1.00 74.34 C ATOM 1328 O ASN A 76 -13.114 15.451 -1.410 1.00 61.04 O ATOM 1329 CB ASN A 76 -13.640 17.575 -3.693 1.00 13.50 C ATOM 1330 CG ASN A 76 -14.952 16.976 -3.182 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -15.636 16.237 -3.870 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -15.263 17.337 -1.941 1.00 33.55 N ATOM 0 H ASN A 76 -11.190 17.886 -4.202 1.00 1.33 H new ATOM 0 HA ASN A 76 -12.762 18.015 -1.778 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -13.782 18.632 -3.920 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -13.350 17.086 -4.623 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -16.120 16.992 -1.509 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -14.645 17.959 -1.421 1.00 33.55 H new ATOM 1339 N GLN A 77 -11.539 15.246 -3.020 1.00 5.11 N ATOM 1340 CA GLN A 77 -11.332 13.826 -2.792 1.00 23.14 C ATOM 1341 C GLN A 77 -10.305 13.611 -1.679 1.00 75.30 C ATOM 1342 O GLN A 77 -9.290 14.305 -1.624 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.901 13.122 -4.080 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.448 11.688 -3.795 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.640 10.797 -3.438 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -11.573 10.265 -2.221 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.559 10.605 -4.217 1.00 2.12 N flip ATOM 0 H GLN A 77 -10.963 15.648 -3.759 1.00 5.11 H new ATOM 0 HA GLN A 77 -12.278 13.387 -2.476 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.730 13.112 -4.788 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -10.089 13.678 -4.548 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.936 11.284 -4.669 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.729 11.686 -2.975 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -12.548 11.045 -5.137 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -13.339 10.005 -3.948 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.603 12.648 -0.819 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.718 12.334 0.288 1.00 43.41 C ATOM 1358 C ALA A 78 -9.133 10.935 0.088 1.00 61.31 C ATOM 1359 O ALA A 78 -9.871 9.978 -0.144 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.484 12.462 1.607 1.00 61.34 C ATOM 0 H ALA A 78 -11.446 12.075 -0.867 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.886 13.037 0.324 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.819 12.226 2.438 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.853 13.482 1.716 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.326 11.769 1.608 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.814 10.860 0.184 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.122 9.592 0.016 1.00 50.43 C ATOM 1368 C PHE A 79 -6.318 9.237 1.268 1.00 43.02 C ATOM 1369 O PHE A 79 -5.728 10.111 1.901 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.161 9.761 -1.162 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.855 8.977 -1.017 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.866 7.619 -1.090 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.684 9.638 -0.815 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.654 6.891 -0.954 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.472 8.910 -0.680 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.483 7.552 -0.753 1.00 20.55 C ATOM 0 H PHE A 79 -7.206 11.656 0.376 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.843 8.794 -0.158 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.663 9.444 -2.076 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.927 10.819 -1.278 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.796 7.094 -1.251 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.676 10.716 -0.757 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.663 5.812 -1.010 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.542 9.435 -0.519 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.561 6.998 -0.651 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.320 7.951 1.588 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.599 7.469 2.753 1.00 53.43 C ATOM 1388 C PHE A 80 -4.988 6.091 2.488 1.00 1.31 C ATOM 1389 O PHE A 80 -5.660 5.198 1.973 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.614 7.352 3.892 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.936 8.683 4.576 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.928 9.465 5.049 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -8.229 9.082 4.712 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -6.227 10.699 5.685 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -8.527 10.317 5.347 1.00 25.31 C ATOM 1396 CZ PHE A 80 -7.520 11.099 5.819 1.00 53.22 C ATOM 0 H PHE A 80 -6.810 7.228 1.060 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.789 8.156 2.999 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.537 6.924 3.501 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.230 6.655 4.637 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.901 9.148 4.941 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -9.029 8.460 4.337 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -5.428 11.320 6.062 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -9.554 10.635 5.455 1.00 25.31 H new ATOM 0 HZ PHE A 80 -7.747 12.039 6.301 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.721 5.960 2.852 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.012 4.706 2.661 1.00 10.45 C ATOM 1408 C LEU A 81 -3.010 3.921 3.973 1.00 41.41 C ATOM 1409 O LEU A 81 -2.540 4.415 4.996 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.614 4.963 2.095 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.055 3.878 1.170 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -1.745 2.536 1.420 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -1.149 4.307 -0.296 1.00 32.24 C ATOM 0 H LEU A 81 -3.167 6.702 3.279 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.522 4.088 1.922 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.633 5.905 1.547 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -0.924 5.093 2.929 1.00 51.24 H new ATOM 0 HG LEU A 81 0.002 3.744 1.399 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.330 1.783 0.750 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -1.584 2.231 2.454 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -2.814 2.637 1.234 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -0.746 3.519 -0.932 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -2.192 4.485 -0.557 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -0.576 5.222 -0.445 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.542 2.709 3.901 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.608 1.850 5.072 1.00 2.41 C ATOM 1427 C LEU A 82 -2.547 0.754 4.954 1.00 23.30 C ATOM 1428 O LEU A 82 -2.707 -0.191 4.183 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.028 1.313 5.262 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.059 2.313 5.790 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.470 3.162 6.919 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.616 3.175 4.655 1.00 2.33 C ATOM 0 H LEU A 82 -3.931 2.302 3.051 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.383 2.417 5.975 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.381 0.929 4.305 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -4.986 0.468 5.949 1.00 22.52 H new ATOM 0 HG LEU A 82 -6.895 1.754 6.210 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.223 3.865 7.277 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.160 2.513 7.739 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.607 3.714 6.547 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.347 3.877 5.056 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.802 3.727 4.184 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -7.096 2.535 3.915 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.485 0.917 5.730 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.397 -0.046 5.723 1.00 54.23 C ATOM 1446 C VAL A 83 -0.821 -1.292 6.503 1.00 0.12 C ATOM 1447 O VAL A 83 -0.988 -1.240 7.720 1.00 11.13 O ATOM 1448 CB VAL A 83 0.876 0.599 6.273 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.846 -0.462 6.797 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.546 1.480 5.216 1.00 25.30 C ATOM 0 H VAL A 83 -1.355 1.702 6.368 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.171 -0.361 4.704 1.00 54.23 H new ATOM 0 HB VAL A 83 0.593 1.237 7.110 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.743 0.023 7.182 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.368 -1.029 7.596 1.00 75.33 H new ATOM 0 HG13 VAL A 83 2.119 -1.138 5.986 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.449 1.926 5.633 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.809 0.873 4.350 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.859 2.269 4.911 1.00 25.30 H new ATOM 1460 N ASN A 84 -0.982 -2.383 5.769 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.382 -3.641 6.375 1.00 22.42 C ATOM 1462 C ASN A 84 -2.812 -3.513 6.907 1.00 41.23 C ATOM 1463 O ASN A 84 -3.288 -4.385 7.633 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.472 -4.000 7.551 1.00 70.52 C ATOM 1465 CG ASN A 84 0.221 -5.344 7.318 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.387 -5.249 6.687 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.272 -6.398 7.687 1.00 73.33 N flip ATOM 0 H ASN A 84 -0.843 -2.422 4.759 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.313 -4.419 5.615 1.00 22.42 H new ATOM 0 HB2 ASN A 84 0.277 -3.220 7.687 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.058 -4.043 8.469 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.172 -6.400 8.167 1.00 73.33 H new ATOM 0 HD22 ASN A 84 0.216 -7.277 7.515 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.456 -2.421 6.523 1.00 4.15 N ATOM 1475 CA GLY A 85 -4.822 -2.168 6.952 1.00 4.21 C ATOM 1476 C GLY A 85 -4.858 -1.160 8.102 1.00 61.15 C ATOM 1477 O GLY A 85 -5.893 -0.977 8.740 1.00 20.01 O ATOM 0 H GLY A 85 -3.058 -1.701 5.920 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.406 -1.789 6.113 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.287 -3.102 7.268 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.714 -0.531 8.332 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.601 0.455 9.393 1.00 11.12 C ATOM 1483 C HIS A 86 -2.939 1.721 8.850 1.00 50.33 C ATOM 1484 O HIS A 86 -2.042 1.646 8.011 1.00 50.41 O ATOM 1485 CB HIS A 86 -2.865 -0.129 10.600 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.525 -0.741 10.265 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.403 0.019 9.986 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.141 -2.046 10.167 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.606 -0.802 9.733 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.146 -2.081 9.846 1.00 4.14 N ATOM 0 H HIS A 86 -2.857 -0.686 7.801 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.595 0.731 9.745 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.719 0.658 11.339 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.494 -0.889 11.064 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -1.777 -2.905 10.324 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.615 -0.510 9.482 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.700 -2.926 9.707 1.00 4.14 H new ATOM 1498 N SER A 87 -3.406 2.857 9.349 1.00 21.12 N ATOM 1499 CA SER A 87 -2.869 4.139 8.923 1.00 35.33 C ATOM 1500 C SER A 87 -1.364 4.189 9.189 1.00 12.03 C ATOM 1501 O SER A 87 -0.828 3.347 9.907 1.00 44.20 O ATOM 1502 CB SER A 87 -3.574 5.294 9.637 1.00 21.01 C ATOM 1503 OG SER A 87 -3.259 5.336 11.026 1.00 72.54 O ATOM 0 H SER A 87 -4.150 2.916 10.044 1.00 21.12 H new ATOM 0 HA SER A 87 -3.046 4.247 7.853 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.287 6.237 9.172 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.652 5.193 9.513 1.00 21.01 H new ATOM 0 HG SER A 87 -3.727 6.088 11.445 1.00 72.54 H new ATOM 1509 N MET A 88 -0.724 5.186 8.596 1.00 23.44 N ATOM 1510 CA MET A 88 0.710 5.359 8.759 1.00 70.11 C ATOM 1511 C MET A 88 1.024 6.646 9.526 1.00 34.21 C ATOM 1512 O MET A 88 2.175 7.074 9.582 1.00 30.24 O ATOM 1513 CB MET A 88 1.379 5.408 7.384 1.00 23.21 C ATOM 1514 CG MET A 88 0.479 6.104 6.361 1.00 12.04 C ATOM 1515 SD MET A 88 0.104 7.762 6.908 1.00 73.31 S ATOM 1516 CE MET A 88 -1.671 7.757 6.717 1.00 51.33 C ATOM 0 H MET A 88 -1.172 5.883 8.001 1.00 23.44 H new ATOM 0 HA MET A 88 1.096 4.515 9.330 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.329 5.937 7.457 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.602 4.395 7.048 1.00 23.21 H new ATOM 0 HG2 MET A 88 0.974 6.135 5.390 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.443 5.538 6.230 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.999 8.724 6.335 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.959 6.973 6.016 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.140 7.571 7.683 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.022 7.226 10.098 1.00 62.44 N ATOM 1527 CA VAL A 89 0.128 8.454 10.858 1.00 62.21 C ATOM 1528 C VAL A 89 1.420 8.390 11.674 1.00 24.13 C ATOM 1529 O VAL A 89 1.700 7.384 12.323 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.114 8.691 11.722 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.131 7.746 12.925 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -1.201 10.151 12.168 1.00 72.21 C ATOM 0 H VAL A 89 -0.976 6.868 10.050 1.00 62.44 H new ATOM 0 HA VAL A 89 0.209 9.310 10.188 1.00 62.21 H new ATOM 0 HB VAL A 89 -1.993 8.475 11.114 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -2.023 7.934 13.523 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -1.139 6.713 12.576 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -0.243 7.916 13.534 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -2.092 10.292 12.780 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -0.316 10.407 12.751 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -1.257 10.796 11.291 1.00 72.21 H new ATOM 1542 N SER A 90 2.175 9.477 11.614 1.00 43.15 N ATOM 1543 CA SER A 90 3.431 9.557 12.340 1.00 5.54 C ATOM 1544 C SER A 90 4.559 8.955 11.501 1.00 40.34 C ATOM 1545 O SER A 90 5.586 8.542 12.039 1.00 35.33 O ATOM 1546 CB SER A 90 3.334 8.844 13.690 1.00 14.32 C ATOM 1547 OG SER A 90 3.859 7.519 13.632 1.00 2.52 O ATOM 0 H SER A 90 1.941 10.310 11.074 1.00 43.15 H new ATOM 0 HA SER A 90 3.650 10.608 12.530 1.00 5.54 H new ATOM 0 HB2 SER A 90 3.876 9.417 14.442 1.00 14.32 H new ATOM 0 HB3 SER A 90 2.292 8.808 14.007 1.00 14.32 H new ATOM 0 HG SER A 90 3.251 6.948 13.117 1.00 2.52 H new ATOM 1553 N VAL A 91 4.331 8.923 10.195 1.00 73.43 N ATOM 1554 CA VAL A 91 5.315 8.377 9.277 1.00 23.12 C ATOM 1555 C VAL A 91 6.716 8.795 9.729 1.00 2.11 C ATOM 1556 O VAL A 91 7.162 9.902 9.433 1.00 34.04 O ATOM 1557 CB VAL A 91 4.993 8.812 7.846 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.320 10.186 7.830 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.252 8.808 6.976 1.00 15.53 C ATOM 0 H VAL A 91 3.479 9.267 9.752 1.00 73.43 H new ATOM 0 HA VAL A 91 5.283 7.288 9.286 1.00 23.12 H new ATOM 0 HB VAL A 91 4.293 8.091 7.425 1.00 41.51 H new ATOM 0 HG11 VAL A 91 4.102 10.472 6.801 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.392 10.143 8.400 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.987 10.923 8.278 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.996 9.121 5.964 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.985 9.497 7.394 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.673 7.803 6.949 1.00 15.53 H new ATOM 1569 N SER A 92 7.370 7.887 10.438 1.00 1.13 N ATOM 1570 CA SER A 92 8.711 8.148 10.934 1.00 51.40 C ATOM 1571 C SER A 92 9.626 6.965 10.614 1.00 74.42 C ATOM 1572 O SER A 92 10.757 6.904 11.093 1.00 22.05 O ATOM 1573 CB SER A 92 8.699 8.418 12.440 1.00 12.45 C ATOM 1574 OG SER A 92 9.963 8.876 12.911 1.00 11.51 O ATOM 0 H SER A 92 6.996 6.969 10.681 1.00 1.13 H new ATOM 0 HA SER A 92 9.092 9.039 10.436 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.936 9.162 12.669 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.424 7.506 12.970 1.00 12.45 H new ATOM 0 HG SER A 92 10.679 8.374 12.468 1.00 11.51 H new ATOM 1580 N THR A 93 9.104 6.055 9.805 1.00 61.14 N ATOM 1581 CA THR A 93 9.859 4.877 9.416 1.00 63.22 C ATOM 1582 C THR A 93 10.033 4.834 7.896 1.00 21.35 C ATOM 1583 O THR A 93 9.132 5.221 7.153 1.00 40.15 O ATOM 1584 CB THR A 93 9.145 3.649 9.981 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.159 3.857 11.391 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.951 2.362 9.788 1.00 72.01 C ATOM 0 H THR A 93 8.166 6.110 9.408 1.00 61.14 H new ATOM 0 HA THR A 93 10.868 4.900 9.827 1.00 63.22 H new ATOM 0 HB THR A 93 8.171 3.544 9.502 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.714 3.107 11.837 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.399 1.521 10.207 1.00 72.01 H new ATOM 0 HG22 THR A 93 10.118 2.193 8.724 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.911 2.455 10.295 1.00 72.01 H new ATOM 1594 N PRO A 94 11.229 4.348 7.468 1.00 14.14 N ATOM 1595 CA PRO A 94 11.532 4.248 6.050 1.00 74.20 C ATOM 1596 C PRO A 94 10.787 3.075 5.411 1.00 15.02 C ATOM 1597 O PRO A 94 10.681 2.004 6.006 1.00 45.33 O ATOM 1598 CB PRO A 94 13.043 4.100 5.981 1.00 44.34 C ATOM 1599 CG PRO A 94 13.483 3.656 7.366 1.00 22.42 C ATOM 1600 CD PRO A 94 12.320 3.881 8.319 1.00 54.04 C ATOM 0 HA PRO A 94 11.204 5.122 5.487 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.329 3.367 5.227 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.515 5.043 5.705 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.771 2.605 7.356 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.356 4.223 7.689 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.051 2.962 8.839 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.570 4.618 9.082 1.00 54.04 H new ATOM 1608 N ILE A 95 10.289 3.317 4.207 1.00 43.23 N ATOM 1609 CA ILE A 95 9.556 2.295 3.480 1.00 11.34 C ATOM 1610 C ILE A 95 10.374 1.002 3.466 1.00 4.52 C ATOM 1611 O ILE A 95 9.821 -0.085 3.301 1.00 11.01 O ATOM 1612 CB ILE A 95 9.176 2.797 2.086 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.143 1.875 1.434 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.417 2.977 1.210 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.826 2.614 1.188 1.00 23.35 C ATOM 0 H ILE A 95 10.379 4.207 3.717 1.00 43.23 H new ATOM 0 HA ILE A 95 8.614 2.073 3.981 1.00 11.34 H new ATOM 0 HB ILE A 95 8.712 3.778 2.191 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.533 1.496 0.489 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.965 1.011 2.075 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.118 3.335 0.225 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.086 3.703 1.672 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.932 2.022 1.108 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.110 1.936 0.724 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.426 2.971 2.137 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.003 3.463 0.527 1.00 23.35 H new ATOM 1627 N SER A 96 11.677 1.160 3.642 1.00 11.42 N ATOM 1628 CA SER A 96 12.576 0.019 3.651 1.00 51.52 C ATOM 1629 C SER A 96 12.328 -0.832 4.898 1.00 41.31 C ATOM 1630 O SER A 96 12.362 -2.060 4.832 1.00 24.42 O ATOM 1631 CB SER A 96 14.037 0.468 3.597 1.00 73.11 C ATOM 1632 OG SER A 96 14.938 -0.621 3.782 1.00 50.12 O ATOM 0 H SER A 96 12.132 2.062 3.780 1.00 11.42 H new ATOM 0 HA SER A 96 12.376 -0.581 2.763 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.235 0.943 2.636 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.214 1.220 4.366 1.00 73.11 H new ATOM 0 HG SER A 96 15.861 -0.293 3.739 1.00 50.12 H new ATOM 1638 N GLU A 97 12.084 -0.146 6.005 1.00 73.25 N ATOM 1639 CA GLU A 97 11.830 -0.824 7.264 1.00 22.40 C ATOM 1640 C GLU A 97 10.351 -1.203 7.376 1.00 74.43 C ATOM 1641 O GLU A 97 10.022 -2.341 7.703 1.00 53.53 O ATOM 1642 CB GLU A 97 12.265 0.042 8.449 1.00 24.31 C ATOM 1643 CG GLU A 97 13.766 0.332 8.394 1.00 14.32 C ATOM 1644 CD GLU A 97 14.573 -0.856 8.925 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.233 -1.417 9.977 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.587 -1.191 8.201 1.00 21.14 O ATOM 0 H GLU A 97 12.057 0.872 6.056 1.00 73.25 H new ATOM 0 HA GLU A 97 12.421 -1.739 7.287 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.709 0.980 8.442 1.00 24.31 H new ATOM 0 HB3 GLU A 97 12.023 -0.465 9.383 1.00 24.31 H new ATOM 0 HG2 GLU A 97 14.061 0.547 7.367 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.990 1.221 8.983 1.00 14.32 H new ATOM 1654 N VAL A 98 9.502 -0.225 7.096 1.00 73.03 N ATOM 1655 CA VAL A 98 8.065 -0.443 7.161 1.00 14.31 C ATOM 1656 C VAL A 98 7.715 -1.730 6.413 1.00 14.23 C ATOM 1657 O VAL A 98 6.804 -2.455 6.812 1.00 62.31 O ATOM 1658 CB VAL A 98 7.327 0.784 6.618 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.855 0.462 6.352 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.466 1.972 7.570 1.00 53.40 C ATOM 0 H VAL A 98 9.780 0.718 6.824 1.00 73.03 H new ATOM 0 HA VAL A 98 7.743 -0.570 8.195 1.00 14.31 H new ATOM 0 HB VAL A 98 7.787 1.061 5.669 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.352 1.349 5.967 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.785 -0.342 5.619 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.378 0.149 7.280 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.933 2.830 7.161 1.00 53.40 H new ATOM 0 HG22 VAL A 98 7.044 1.712 8.541 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.520 2.222 7.688 1.00 53.40 H new ATOM 1670 N TYR A 99 8.456 -1.977 5.343 1.00 23.41 N ATOM 1671 CA TYR A 99 8.234 -3.165 4.537 1.00 72.23 C ATOM 1672 C TYR A 99 8.900 -4.389 5.170 1.00 41.42 C ATOM 1673 O TYR A 99 8.376 -5.499 5.084 1.00 44.51 O ATOM 1674 CB TYR A 99 8.890 -2.885 3.184 1.00 73.42 C ATOM 1675 CG TYR A 99 9.275 -4.145 2.406 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.443 -4.816 2.712 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.455 -4.612 1.398 1.00 72.44 C ATOM 1678 CE1 TYR A 99 10.804 -6.002 1.980 1.00 13.41 C ATOM 1679 CE2 TYR A 99 8.817 -5.798 0.667 1.00 65.15 C ATOM 1680 CZ TYR A 99 9.974 -6.434 0.993 1.00 12.34 C ATOM 1681 OH TYR A 99 10.316 -7.555 0.302 1.00 34.03 O ATOM 0 H TYR A 99 9.211 -1.374 5.015 1.00 23.41 H new ATOM 0 HA TYR A 99 7.168 -3.376 4.449 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.207 -2.290 2.577 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.784 -2.281 3.343 1.00 73.42 H new ATOM 0 HD1 TYR A 99 11.085 -4.451 3.500 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.542 -4.087 1.158 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.714 -6.537 2.210 1.00 13.41 H new ATOM 0 HE2 TYR A 99 8.184 -6.174 -0.123 1.00 65.15 H new ATOM 0 HH TYR A 99 9.589 -8.210 0.361 1.00 34.03 H new ATOM 1691 N GLU A 100 10.044 -4.145 5.792 1.00 24.12 N ATOM 1692 CA GLU A 100 10.787 -5.213 6.439 1.00 10.14 C ATOM 1693 C GLU A 100 10.224 -5.480 7.836 1.00 24.24 C ATOM 1694 O GLU A 100 10.666 -6.400 8.522 1.00 64.34 O ATOM 1695 CB GLU A 100 12.280 -4.883 6.502 1.00 52.12 C ATOM 1696 CG GLU A 100 12.631 -4.185 7.817 1.00 41.55 C ATOM 1697 CD GLU A 100 13.989 -3.486 7.722 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.761 -3.498 8.691 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.231 -2.918 6.589 1.00 74.24 O ATOM 0 H GLU A 100 10.475 -3.223 5.862 1.00 24.12 H new ATOM 0 HA GLU A 100 10.675 -6.120 5.844 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.863 -5.799 6.405 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.550 -4.243 5.662 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.859 -3.456 8.063 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.650 -4.915 8.626 1.00 41.55 H new ATOM 1707 N SER A 101 9.258 -4.657 8.218 1.00 23.43 N ATOM 1708 CA SER A 101 8.631 -4.792 9.521 1.00 33.22 C ATOM 1709 C SER A 101 7.161 -5.182 9.356 1.00 63.15 C ATOM 1710 O SER A 101 6.418 -5.247 10.335 1.00 0.10 O ATOM 1711 CB SER A 101 8.749 -3.497 10.326 1.00 23.11 C ATOM 1712 OG SER A 101 10.009 -3.389 10.982 1.00 11.13 O ATOM 0 H SER A 101 8.894 -3.894 7.647 1.00 23.43 H new ATOM 0 HA SER A 101 9.150 -5.578 10.070 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.612 -2.644 9.662 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.950 -3.456 11.066 1.00 23.11 H new ATOM 0 HG SER A 101 10.046 -2.548 11.484 1.00 11.13 H new ATOM 1718 N GLU A 102 6.784 -5.431 8.110 1.00 74.03 N ATOM 1719 CA GLU A 102 5.415 -5.814 7.804 1.00 73.55 C ATOM 1720 C GLU A 102 5.399 -7.001 6.841 1.00 44.54 C ATOM 1721 O GLU A 102 4.663 -7.964 7.050 1.00 34.43 O ATOM 1722 CB GLU A 102 4.632 -4.631 7.232 1.00 0.30 C ATOM 1723 CG GLU A 102 4.456 -3.530 8.279 1.00 75.10 C ATOM 1724 CD GLU A 102 3.142 -3.705 9.044 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.510 -4.768 8.956 1.00 30.04 O ATOM 1726 OE2 GLU A 102 2.783 -2.687 9.750 1.00 73.01 O ATOM 0 H GLU A 102 7.402 -5.375 7.301 1.00 74.03 H new ATOM 0 HA GLU A 102 4.926 -6.118 8.730 1.00 73.55 H new ATOM 0 HB2 GLU A 102 5.155 -4.231 6.363 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.655 -4.970 6.888 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.293 -3.550 8.977 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.470 -2.555 7.792 1.00 75.10 H new ATOM 1734 N ARG A 103 6.219 -6.894 5.806 1.00 73.01 N ATOM 1735 CA ARG A 103 6.307 -7.948 4.810 1.00 11.32 C ATOM 1736 C ARG A 103 6.180 -9.320 5.475 1.00 10.30 C ATOM 1737 O ARG A 103 6.513 -9.479 6.648 1.00 22.34 O ATOM 1738 CB ARG A 103 7.634 -7.879 4.050 1.00 73.24 C ATOM 1739 CG ARG A 103 8.819 -8.057 5.002 1.00 1.11 C ATOM 1740 CD ARG A 103 9.272 -9.518 5.046 1.00 64.23 C ATOM 1741 NE ARG A 103 10.617 -9.613 5.656 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.874 -9.388 6.962 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.876 -9.053 7.809 1.00 40.42 N ATOM 1744 NH2 ARG A 103 12.114 -9.500 7.399 1.00 53.31 N ATOM 0 H ARG A 103 6.828 -6.094 5.636 1.00 73.01 H new ATOM 0 HA ARG A 103 5.489 -7.805 4.104 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.659 -8.653 3.283 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.715 -6.920 3.538 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.647 -7.425 4.680 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.538 -7.729 6.003 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.560 -10.111 5.621 1.00 64.23 H new ATOM 0 HD3 ARG A 103 9.291 -9.932 4.038 1.00 64.23 H new ATOM 0 HE ARG A 103 11.399 -9.864 5.051 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.920 -8.969 7.463 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.078 -8.885 8.794 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.862 -9.753 6.753 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.325 -9.333 8.383 1.00 53.31 H new ATOM 1757 N ASP A 104 5.695 -10.277 4.696 1.00 3.22 N ATOM 1758 CA ASP A 104 5.519 -11.630 5.195 1.00 24.23 C ATOM 1759 C ASP A 104 6.621 -12.527 4.624 1.00 52.11 C ATOM 1760 O ASP A 104 7.525 -12.047 3.943 1.00 14.33 O ATOM 1761 CB ASP A 104 4.169 -12.206 4.761 1.00 21.34 C ATOM 1762 CG ASP A 104 3.065 -12.131 5.819 1.00 33.24 C ATOM 1763 OD1 ASP A 104 2.304 -11.154 5.880 1.00 13.53 O ATOM 1764 OD2 ASP A 104 3.003 -13.146 6.613 1.00 12.42 O ATOM 0 H ASP A 104 5.419 -10.142 3.723 1.00 3.22 H new ATOM 0 HA ASP A 104 5.564 -11.596 6.284 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.834 -11.676 3.869 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.310 -13.249 4.477 1.00 21.34 H new ATOM 1770 N GLU A 105 6.507 -13.812 4.925 1.00 4.45 N ATOM 1771 CA GLU A 105 7.482 -14.779 4.452 1.00 23.41 C ATOM 1772 C GLU A 105 7.742 -14.583 2.957 1.00 43.50 C ATOM 1773 O GLU A 105 8.889 -14.612 2.512 1.00 71.12 O ATOM 1774 CB GLU A 105 7.023 -16.210 4.745 1.00 74.25 C ATOM 1775 CG GLU A 105 6.569 -16.352 6.198 1.00 61.33 C ATOM 1776 CD GLU A 105 6.606 -17.815 6.644 1.00 54.43 C ATOM 1777 OE1 GLU A 105 7.567 -18.238 7.304 1.00 41.24 O ATOM 1778 OE2 GLU A 105 5.590 -18.521 6.280 1.00 31.11 O ATOM 0 H GLU A 105 5.755 -14.206 5.490 1.00 4.45 H new ATOM 0 HA GLU A 105 8.416 -14.615 4.989 1.00 23.41 H new ATOM 0 HB2 GLU A 105 6.205 -16.477 4.077 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.838 -16.906 4.545 1.00 74.25 H new ATOM 0 HG2 GLU A 105 7.213 -15.755 6.844 1.00 61.33 H new ATOM 0 HG3 GLU A 105 5.558 -15.961 6.307 1.00 61.33 H new ATOM 1786 N ASP A 106 6.657 -14.388 2.221 1.00 14.21 N ATOM 1787 CA ASP A 106 6.753 -14.186 0.784 1.00 71.01 C ATOM 1788 C ASP A 106 7.731 -13.044 0.499 1.00 12.41 C ATOM 1789 O ASP A 106 8.611 -13.175 -0.351 1.00 41.35 O ATOM 1790 CB ASP A 106 5.396 -13.807 0.190 1.00 4.22 C ATOM 1791 CG ASP A 106 4.686 -12.645 0.888 1.00 72.31 C ATOM 1792 OD1 ASP A 106 5.038 -12.266 2.015 1.00 41.53 O ATOM 1793 OD2 ASP A 106 3.721 -12.114 0.218 1.00 55.23 O ATOM 0 H ASP A 106 5.707 -14.366 2.592 1.00 14.21 H new ATOM 0 HA ASP A 106 7.096 -15.118 0.334 1.00 71.01 H new ATOM 0 HB2 ASP A 106 5.535 -13.550 -0.860 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.746 -14.681 0.221 1.00 4.22 H new ATOM 1799 N GLY A 107 7.544 -11.953 1.224 1.00 33.44 N ATOM 1800 CA GLY A 107 8.398 -10.788 1.059 1.00 23.13 C ATOM 1801 C GLY A 107 7.682 -9.690 0.271 1.00 31.21 C ATOM 1802 O GLY A 107 8.326 -8.842 -0.344 1.00 13.31 O ATOM 0 H GLY A 107 6.813 -11.850 1.928 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.691 -10.406 2.037 1.00 23.13 H new ATOM 0 HA3 GLY A 107 9.313 -11.074 0.541 1.00 23.13 H new ATOM 1806 N PHE A 108 6.359 -9.741 0.314 1.00 52.33 N ATOM 1807 CA PHE A 108 5.549 -8.761 -0.388 1.00 14.14 C ATOM 1808 C PHE A 108 4.690 -7.957 0.590 1.00 21.33 C ATOM 1809 O PHE A 108 4.036 -8.528 1.461 1.00 22.32 O ATOM 1810 CB PHE A 108 4.631 -9.536 -1.336 1.00 51.42 C ATOM 1811 CG PHE A 108 4.649 -9.023 -2.777 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.885 -7.706 -3.028 1.00 32.51 C ATOM 1813 CD2 PHE A 108 4.430 -9.882 -3.808 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.901 -7.231 -4.365 1.00 73.31 C ATOM 1815 CE2 PHE A 108 4.447 -9.406 -5.145 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.682 -8.090 -5.396 1.00 4.21 C ATOM 0 H PHE A 108 5.828 -10.446 0.825 1.00 52.33 H new ATOM 0 HA PHE A 108 6.192 -8.063 -0.924 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.924 -10.586 -1.331 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.610 -9.488 -0.957 1.00 51.42 H new ATOM 0 HD1 PHE A 108 5.060 -7.023 -2.210 1.00 32.51 H new ATOM 0 HD2 PHE A 108 4.243 -10.927 -3.609 1.00 14.11 H new ATOM 0 HE1 PHE A 108 5.087 -6.186 -4.564 1.00 73.31 H new ATOM 0 HE2 PHE A 108 4.273 -10.089 -5.963 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.695 -7.728 -6.413 1.00 4.21 H new ATOM 1826 N LEU A 109 4.718 -6.645 0.413 1.00 21.41 N ATOM 1827 CA LEU A 109 3.951 -5.757 1.270 1.00 35.21 C ATOM 1828 C LEU A 109 2.487 -5.766 0.825 1.00 20.13 C ATOM 1829 O LEU A 109 2.198 -5.756 -0.370 1.00 53.12 O ATOM 1830 CB LEU A 109 4.577 -4.361 1.294 1.00 71.00 C ATOM 1831 CG LEU A 109 5.357 -3.998 2.559 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.441 -3.357 3.603 1.00 10.31 C ATOM 1833 CD2 LEU A 109 6.097 -5.216 3.116 1.00 53.35 C ATOM 0 H LEU A 109 5.260 -6.175 -0.312 1.00 21.41 H new ATOM 0 HA LEU A 109 3.975 -6.109 2.301 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.247 -4.270 0.439 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.784 -3.626 1.157 1.00 71.00 H new ATOM 0 HG LEU A 109 6.111 -3.257 2.294 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.021 -3.109 4.492 1.00 10.31 H new ATOM 0 HD12 LEU A 109 4.000 -2.449 3.192 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.648 -4.056 3.870 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.643 -4.930 4.015 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.378 -5.998 3.361 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.798 -5.589 2.369 1.00 53.35 H new ATOM 1845 N TYR A 110 1.602 -5.785 1.811 1.00 30.44 N ATOM 1846 CA TYR A 110 0.175 -5.796 1.537 1.00 32.34 C ATOM 1847 C TYR A 110 -0.534 -4.659 2.274 1.00 41.52 C ATOM 1848 O TYR A 110 -0.702 -4.715 3.492 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.346 -7.134 2.065 1.00 11.21 C ATOM 1850 CG TYR A 110 0.177 -8.351 1.299 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.344 -8.661 0.059 1.00 40.13 C ATOM 1852 CD2 TYR A 110 1.167 -9.139 1.848 1.00 65.35 C ATOM 1853 CE1 TYR A 110 0.148 -9.807 -0.662 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.659 -10.285 1.128 1.00 23.30 C ATOM 1855 CZ TYR A 110 1.125 -10.562 -0.092 1.00 64.21 C ATOM 1856 OH TYR A 110 1.590 -11.644 -0.773 1.00 75.44 O ATOM 0 H TYR A 110 1.846 -5.793 2.801 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.012 -5.666 0.471 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.069 -7.232 3.115 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.435 -7.131 2.022 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.120 -8.045 -0.370 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.574 -8.896 2.819 1.00 65.35 H new ATOM 0 HE1 TYR A 110 -0.250 -10.061 -1.633 1.00 12.12 H new ATOM 0 HE2 TYR A 110 2.434 -10.910 1.547 1.00 23.30 H new ATOM 0 HH TYR A 110 2.252 -12.116 -0.225 1.00 75.44 H new ATOM 1866 N MET A 111 -0.930 -3.654 1.506 1.00 11.54 N ATOM 1867 CA MET A 111 -1.618 -2.506 2.073 1.00 54.55 C ATOM 1868 C MET A 111 -2.854 -2.145 1.246 1.00 15.42 C ATOM 1869 O MET A 111 -2.913 -2.434 0.052 1.00 64.01 O ATOM 1870 CB MET A 111 -0.664 -1.310 2.115 1.00 60.14 C ATOM 1871 CG MET A 111 0.766 -1.761 2.419 1.00 4.13 C ATOM 1872 SD MET A 111 1.809 -0.337 2.690 1.00 11.21 S ATOM 1873 CE MET A 111 3.167 -0.736 1.601 1.00 41.54 C ATOM 0 H MET A 111 -0.788 -3.611 0.497 1.00 11.54 H new ATOM 0 HA MET A 111 -1.941 -2.760 3.082 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.689 -0.787 1.159 1.00 60.14 H new ATOM 0 HB3 MET A 111 -0.995 -0.602 2.875 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.775 -2.402 3.301 1.00 4.13 H new ATOM 0 HG3 MET A 111 1.153 -2.354 1.590 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.110 -0.599 2.130 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.080 -1.773 1.276 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.141 -0.080 0.731 1.00 41.54 H new ATOM 1883 N VAL A 112 -3.811 -1.518 1.915 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.042 -1.114 1.257 1.00 51.41 C ATOM 1885 C VAL A 112 -5.146 0.412 1.272 1.00 34.21 C ATOM 1886 O VAL A 112 -4.742 1.056 2.239 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.238 -1.802 1.919 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.519 -0.991 1.711 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.404 -3.231 1.400 1.00 14.04 C ATOM 0 H VAL A 112 -3.759 -1.280 2.905 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.039 -1.429 0.213 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.044 -1.855 2.990 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.354 -1.501 2.191 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.398 -0.001 2.150 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.718 -0.893 0.644 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.261 -3.697 1.886 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.565 -3.210 0.322 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.504 -3.805 1.621 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.691 0.947 0.189 1.00 40.11 N ATOM 1900 CA TYR A 113 -5.853 2.385 0.065 1.00 64.13 C ATOM 1901 C TYR A 113 -7.322 2.755 -0.146 1.00 45.34 C ATOM 1902 O TYR A 113 -8.039 2.072 -0.876 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.053 2.796 -1.172 1.00 30.31 C ATOM 1904 CG TYR A 113 -5.864 2.786 -2.469 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -6.859 3.722 -2.668 1.00 73.00 C ATOM 1906 CD2 TYR A 113 -5.602 1.840 -3.440 1.00 33.02 C ATOM 1907 CE1 TYR A 113 -7.623 3.711 -3.889 1.00 24.44 C ATOM 1908 CE2 TYR A 113 -6.366 1.830 -4.661 1.00 63.43 C ATOM 1909 CZ TYR A 113 -7.339 2.766 -4.825 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.060 2.757 -5.978 1.00 43.21 O ATOM 0 H TYR A 113 -6.026 0.410 -0.611 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.511 2.888 0.969 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -4.650 3.796 -1.015 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.203 2.123 -1.282 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.064 4.462 -1.909 1.00 73.00 H new ATOM 0 HD2 TYR A 113 -4.824 1.107 -3.284 1.00 33.02 H new ATOM 0 HE1 TYR A 113 -8.404 4.437 -4.058 1.00 24.44 H new ATOM 0 HE2 TYR A 113 -6.171 1.096 -5.429 1.00 63.43 H new ATOM 0 HH TYR A 113 -8.189 3.677 -6.291 1.00 43.21 H new ATOM 1920 N ALA A 114 -7.728 3.835 0.506 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.099 4.304 0.399 1.00 1.44 C ATOM 1922 C ALA A 114 -9.204 5.704 1.007 1.00 2.12 C ATOM 1923 O ALA A 114 -8.216 6.247 1.499 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.036 3.301 1.076 1.00 12.02 C ATOM 0 H ALA A 114 -7.131 4.399 1.111 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.400 4.376 -0.646 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.065 3.653 0.996 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -9.945 2.331 0.587 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.767 3.204 2.128 1.00 12.02 H new ATOM 1930 N SER A 115 -10.411 6.248 0.954 1.00 54.31 N ATOM 1931 CA SER A 115 -10.658 7.574 1.495 1.00 61.52 C ATOM 1932 C SER A 115 -10.960 7.481 2.992 1.00 53.55 C ATOM 1933 O SER A 115 -11.835 8.184 3.497 1.00 63.34 O ATOM 1934 CB SER A 115 -11.813 8.260 0.762 1.00 1.23 C ATOM 1935 OG SER A 115 -12.220 9.460 1.413 1.00 60.44 O ATOM 0 H SER A 115 -11.228 5.795 0.545 1.00 54.31 H new ATOM 0 HA SER A 115 -9.761 8.176 1.349 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.510 8.487 -0.260 1.00 1.23 H new ATOM 0 HB3 SER A 115 -12.660 7.576 0.699 1.00 1.23 H new ATOM 0 HG SER A 115 -12.517 9.253 2.324 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.219 6.609 3.659 1.00 43.31 N ATOM 1942 CA GLN A 116 -10.396 6.416 5.088 1.00 53.23 C ATOM 1943 C GLN A 116 -9.061 6.057 5.745 1.00 50.42 C ATOM 1944 O GLN A 116 -8.370 5.143 5.296 1.00 70.45 O ATOM 1945 CB GLN A 116 -11.450 5.344 5.370 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.646 5.934 6.120 1.00 21.34 C ATOM 1947 CD GLN A 116 -13.751 4.890 6.300 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -13.851 3.921 5.566 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -14.572 5.141 7.316 1.00 55.11 N ATOM 0 H GLN A 116 -9.495 6.028 3.236 1.00 43.31 H new ATOM 0 HA GLN A 116 -10.752 7.352 5.519 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -11.786 4.904 4.431 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -11.008 4.540 5.959 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -12.324 6.299 7.095 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -13.037 6.791 5.572 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.432 5.971 7.892 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -15.342 4.503 7.519 1.00 55.11 H new ATOM 1958 N GLU A 117 -8.739 6.796 6.797 1.00 13.30 N ATOM 1959 CA GLU A 117 -7.499 6.567 7.519 1.00 34.21 C ATOM 1960 C GLU A 117 -7.779 6.392 9.013 1.00 42.32 C ATOM 1961 O GLU A 117 -6.865 6.134 9.794 1.00 54.41 O ATOM 1962 CB GLU A 117 -6.506 7.705 7.278 1.00 4.33 C ATOM 1963 CG GLU A 117 -5.587 7.896 8.487 1.00 44.23 C ATOM 1964 CD GLU A 117 -4.550 8.989 8.219 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.393 9.428 7.070 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -3.893 9.383 9.257 1.00 14.44 O ATOM 0 H GLU A 117 -9.315 7.553 7.166 1.00 13.30 H new ATOM 0 HA GLU A 117 -7.047 5.649 7.143 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -5.908 7.489 6.393 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.048 8.629 7.079 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -6.181 8.160 9.362 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -5.081 6.958 8.716 1.00 44.23 H new ATOM 1974 N THR A 118 -9.049 6.537 9.365 1.00 32.30 N ATOM 1975 CA THR A 118 -9.462 6.398 10.751 1.00 34.24 C ATOM 1976 C THR A 118 -10.646 5.436 10.861 1.00 33.31 C ATOM 1977 O THR A 118 -11.167 5.208 11.952 1.00 43.32 O ATOM 1978 CB THR A 118 -9.761 7.795 11.299 1.00 61.45 C ATOM 1979 OG1 THR A 118 -10.932 7.614 12.089 1.00 2.53 O ATOM 1980 CG2 THR A 118 -10.196 8.771 10.203 1.00 11.22 C ATOM 0 H THR A 118 -9.805 6.749 8.714 1.00 32.30 H new ATOM 0 HA THR A 118 -8.669 5.959 11.357 1.00 34.24 H new ATOM 0 HB THR A 118 -8.877 8.186 11.803 1.00 61.45 H new ATOM 0 HG1 THR A 118 -10.872 6.764 12.572 1.00 2.53 H new ATOM 0 HG21 THR A 118 -10.396 9.748 10.644 1.00 11.22 H new ATOM 0 HG22 THR A 118 -9.402 8.863 9.462 1.00 11.22 H new ATOM 0 HG23 THR A 118 -11.100 8.398 9.722 1.00 11.22 H new ATOM 1988 N PHE A 119 -11.038 4.898 9.715 1.00 75.13 N ATOM 1989 CA PHE A 119 -12.152 3.966 9.668 1.00 65.24 C ATOM 1990 C PHE A 119 -12.075 2.962 10.820 1.00 62.50 C ATOM 1991 O PHE A 119 -13.100 2.569 11.377 1.00 23.21 O ATOM 1992 CB PHE A 119 -12.049 3.210 8.342 1.00 51.32 C ATOM 1993 CG PHE A 119 -10.891 2.211 8.284 1.00 24.22 C ATOM 1994 CD1 PHE A 119 -9.610 2.658 8.200 1.00 35.43 C ATOM 1995 CD2 PHE A 119 -11.144 0.875 8.316 1.00 71.14 C ATOM 1996 CE1 PHE A 119 -8.536 1.731 8.146 1.00 64.44 C ATOM 1997 CE2 PHE A 119 -10.070 -0.053 8.261 1.00 72.22 C ATOM 1998 CZ PHE A 119 -8.789 0.395 8.178 1.00 71.41 C ATOM 0 H PHE A 119 -10.604 5.090 8.812 1.00 75.13 H new ATOM 0 HA PHE A 119 -13.094 4.508 9.755 1.00 65.24 H new ATOM 0 HB2 PHE A 119 -12.984 2.678 8.165 1.00 51.32 H new ATOM 0 HB3 PHE A 119 -11.935 3.931 7.532 1.00 51.32 H new ATOM 0 HD1 PHE A 119 -9.409 3.719 8.174 1.00 35.43 H new ATOM 0 HD2 PHE A 119 -12.162 0.520 8.383 1.00 71.14 H new ATOM 0 HE1 PHE A 119 -7.518 2.087 8.080 1.00 64.44 H new ATOM 0 HE2 PHE A 119 -10.271 -1.114 8.285 1.00 72.22 H new ATOM 0 HZ PHE A 119 -7.972 -0.310 8.137 1.00 71.41 H new ATOM 2008 N GLY A 120 -10.851 2.574 11.144 1.00 23.42 N ATOM 2009 CA GLY A 120 -10.627 1.623 12.221 1.00 75.54 C ATOM 2010 C GLY A 120 -11.583 1.880 13.387 1.00 62.20 C ATOM 2011 O GLY A 120 -11.219 2.542 14.358 1.00 22.03 O ATOM 0 H GLY A 120 -10.003 2.900 10.680 1.00 23.42 H new ATOM 0 HA2 GLY A 120 -10.766 0.608 11.849 1.00 75.54 H new ATOM 0 HA3 GLY A 120 -9.596 1.697 12.568 1.00 75.54 H new TER 2015 GLY A 120 ATOM 2016 N MET B 331 4.500 -8.330 -27.459 1.00 41.43 N ATOM 2017 CA MET B 331 5.133 -9.637 -27.506 1.00 14.21 C ATOM 2018 C MET B 331 5.702 -10.021 -26.139 1.00 62.23 C ATOM 2019 O MET B 331 6.342 -11.062 -25.999 1.00 54.13 O ATOM 2020 CB MET B 331 6.259 -9.622 -28.542 1.00 42.31 C ATOM 2021 CG MET B 331 6.742 -11.041 -28.847 1.00 43.21 C ATOM 2022 SD MET B 331 7.354 -11.132 -30.521 1.00 31.54 S ATOM 2023 CE MET B 331 9.057 -10.669 -30.256 1.00 4.21 C ATOM 0 HA MET B 331 4.380 -10.374 -27.785 1.00 14.21 H new ATOM 0 HB2 MET B 331 5.908 -9.148 -29.459 1.00 42.31 H new ATOM 0 HB3 MET B 331 7.091 -9.023 -28.172 1.00 42.31 H new ATOM 0 HG2 MET B 331 7.529 -11.324 -28.148 1.00 43.21 H new ATOM 0 HG3 MET B 331 5.925 -11.749 -28.711 1.00 43.21 H new ATOM 0 HE1 MET B 331 9.588 -10.675 -31.208 1.00 4.21 H new ATOM 0 HE2 MET B 331 9.099 -9.669 -29.823 1.00 4.21 H new ATOM 0 HE3 MET B 331 9.525 -11.379 -29.575 1.00 4.21 H new ATOM 2034 N SER B 332 5.449 -9.158 -25.166 1.00 34.14 N ATOM 2035 CA SER B 332 5.928 -9.394 -23.814 1.00 51.00 C ATOM 2036 C SER B 332 4.770 -9.280 -22.821 1.00 31.33 C ATOM 2037 O SER B 332 4.362 -8.177 -22.461 1.00 65.52 O ATOM 2038 CB SER B 332 7.042 -8.411 -23.445 1.00 43.13 C ATOM 2039 OG SER B 332 7.941 -8.959 -22.485 1.00 61.41 O ATOM 0 H SER B 332 4.919 -8.295 -25.287 1.00 34.14 H new ATOM 0 HA SER B 332 6.340 -10.402 -23.768 1.00 51.00 H new ATOM 0 HB2 SER B 332 7.595 -8.135 -24.343 1.00 43.13 H new ATOM 0 HB3 SER B 332 6.602 -7.496 -23.048 1.00 43.13 H new ATOM 0 HG SER B 332 8.638 -8.302 -22.277 1.00 61.41 H new ATOM 2045 N GLY B 333 4.273 -10.436 -22.406 1.00 3.32 N ATOM 2046 CA GLY B 333 3.170 -10.480 -21.461 1.00 43.01 C ATOM 2047 C GLY B 333 3.605 -11.114 -20.139 1.00 10.30 C ATOM 2048 O GLY B 333 3.528 -12.331 -19.975 1.00 23.54 O ATOM 0 H GLY B 333 4.614 -11.349 -22.707 1.00 3.32 H new ATOM 0 HA2 GLY B 333 2.801 -9.470 -21.280 1.00 43.01 H new ATOM 0 HA3 GLY B 333 2.344 -11.050 -21.887 1.00 43.01 H new ATOM 2052 N GLY B 334 4.054 -10.261 -19.230 1.00 31.32 N ATOM 2053 CA GLY B 334 4.502 -10.723 -17.927 1.00 53.43 C ATOM 2054 C GLY B 334 4.631 -9.556 -16.946 1.00 13.31 C ATOM 2055 O GLY B 334 4.842 -8.416 -17.357 1.00 50.55 O ATOM 0 H GLY B 334 4.117 -9.253 -19.370 1.00 31.32 H new ATOM 0 HA2 GLY B 334 3.797 -11.456 -17.535 1.00 53.43 H new ATOM 0 HA3 GLY B 334 5.463 -11.227 -18.027 1.00 53.43 H new ATOM 2059 N ASP B 335 4.500 -9.880 -15.668 1.00 5.13 N ATOM 2060 CA ASP B 335 4.600 -8.873 -14.626 1.00 5.01 C ATOM 2061 C ASP B 335 5.948 -9.012 -13.917 1.00 71.13 C ATOM 2062 O ASP B 335 5.998 -9.282 -12.717 1.00 10.34 O ATOM 2063 CB ASP B 335 3.495 -9.050 -13.581 1.00 53.42 C ATOM 2064 CG ASP B 335 2.112 -8.564 -14.015 1.00 1.34 C ATOM 2065 OD1 ASP B 335 1.804 -7.365 -13.939 1.00 41.32 O ATOM 2066 OD2 ASP B 335 1.321 -9.486 -14.450 1.00 4.34 O ATOM 0 H ASP B 335 4.325 -10.827 -15.331 1.00 5.13 H new ATOM 0 HA ASP B 335 4.501 -7.893 -15.093 1.00 5.01 H new ATOM 0 HB2 ASP B 335 3.427 -10.106 -13.321 1.00 53.42 H new ATOM 0 HB3 ASP B 335 3.783 -8.517 -12.675 1.00 53.42 H new ATOM 2072 N ASP B 336 7.009 -8.818 -14.688 1.00 54.12 N ATOM 2073 CA ASP B 336 8.354 -8.919 -14.148 1.00 73.32 C ATOM 2074 C ASP B 336 8.804 -7.542 -13.654 1.00 13.01 C ATOM 2075 O ASP B 336 9.577 -7.441 -12.702 1.00 45.13 O ATOM 2076 CB ASP B 336 9.343 -9.383 -15.218 1.00 42.24 C ATOM 2077 CG ASP B 336 9.052 -10.763 -15.812 1.00 61.12 C ATOM 2078 OD1 ASP B 336 7.990 -10.988 -16.411 1.00 34.03 O ATOM 2079 OD2 ASP B 336 9.982 -11.639 -15.639 1.00 11.32 O ATOM 0 H ASP B 336 6.964 -8.592 -15.682 1.00 54.12 H new ATOM 0 HA ASP B 336 8.338 -9.643 -13.334 1.00 73.32 H new ATOM 0 HB2 ASP B 336 9.352 -8.651 -16.025 1.00 42.24 H new ATOM 0 HB3 ASP B 336 10.344 -9.393 -14.786 1.00 42.24 H new ATOM 2085 N ASP B 337 8.301 -6.515 -14.324 1.00 34.41 N ATOM 2086 CA ASP B 337 8.642 -5.148 -13.966 1.00 41.12 C ATOM 2087 C ASP B 337 7.368 -4.394 -13.580 1.00 44.23 C ATOM 2088 O ASP B 337 6.505 -4.156 -14.423 1.00 22.34 O ATOM 2089 CB ASP B 337 9.288 -4.416 -15.143 1.00 74.41 C ATOM 2090 CG ASP B 337 10.773 -4.716 -15.356 1.00 74.24 C ATOM 2091 OD1 ASP B 337 11.576 -4.674 -14.412 1.00 11.21 O ATOM 2092 OD2 ASP B 337 11.101 -5.008 -16.569 1.00 24.22 O ATOM 0 H ASP B 337 7.660 -6.602 -15.113 1.00 34.41 H new ATOM 0 HA ASP B 337 9.345 -5.182 -13.134 1.00 41.12 H new ATOM 0 HB2 ASP B 337 8.747 -4.674 -16.053 1.00 74.41 H new ATOM 0 HB3 ASP B 337 9.167 -3.343 -14.994 1.00 74.41 H new ATOM 2098 N TRP B 338 7.291 -4.040 -12.305 1.00 31.21 N ATOM 2099 CA TRP B 338 6.137 -3.318 -11.798 1.00 33.50 C ATOM 2100 C TRP B 338 6.327 -1.834 -12.123 1.00 43.13 C ATOM 2101 O TRP B 338 7.012 -1.489 -13.085 1.00 24.04 O ATOM 2102 CB TRP B 338 5.938 -3.582 -10.305 1.00 13.13 C ATOM 2103 CG TRP B 338 6.299 -5.004 -9.871 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.492 -6.079 -10.647 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.501 -5.466 -8.519 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.804 -7.195 -9.898 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.810 -6.810 -8.562 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.428 -4.770 -7.299 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 7.069 -7.574 -7.418 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.689 -5.548 -6.165 1.00 42.51 C ATOM 2111 CH2 TRP B 338 7.001 -6.902 -6.192 1.00 22.23 C ATOM 0 H TRP B 338 8.009 -4.240 -11.609 1.00 31.21 H new ATOM 0 HA TRP B 338 5.223 -3.665 -12.279 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.544 -2.875 -9.738 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.897 -3.388 -10.048 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.413 -6.073 -11.724 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.995 -8.130 -10.258 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.189 -3.718 -7.242 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.308 -8.625 -7.478 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.645 -5.062 -5.202 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.190 -7.433 -5.271 1.00 22.23 H new ATOM 2122 N THR B 339 5.710 -0.998 -11.301 1.00 11.15 N ATOM 2123 CA THR B 339 5.803 0.440 -11.489 1.00 63.24 C ATOM 2124 C THR B 339 6.869 1.031 -10.564 1.00 75.25 C ATOM 2125 O THR B 339 7.078 0.536 -9.456 1.00 55.55 O ATOM 2126 CB THR B 339 4.411 1.036 -11.270 1.00 43.14 C ATOM 2127 OG1 THR B 339 3.874 1.156 -12.585 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.465 2.476 -10.757 1.00 73.05 C ATOM 0 H THR B 339 5.144 -1.289 -10.504 1.00 11.15 H new ATOM 0 HA THR B 339 6.123 0.687 -12.501 1.00 63.24 H new ATOM 0 HB THR B 339 3.859 0.419 -10.561 1.00 43.14 H new ATOM 0 HG1 THR B 339 3.962 2.083 -12.891 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.451 2.851 -10.619 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.995 2.503 -9.805 1.00 73.05 H new ATOM 0 HG23 THR B 339 4.987 3.101 -11.481 1.00 73.05 H new ATOM 2136 N HIS B 340 7.514 2.080 -11.051 1.00 23.10 N ATOM 2137 CA HIS B 340 8.554 2.742 -10.282 1.00 53.35 C ATOM 2138 C HIS B 340 8.002 4.039 -9.685 1.00 55.35 C ATOM 2139 O HIS B 340 7.511 4.902 -10.411 1.00 75.31 O ATOM 2140 CB HIS B 340 9.802 2.968 -11.136 1.00 52.13 C ATOM 2141 CG HIS B 340 9.523 3.068 -12.617 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.639 1.990 -13.477 1.00 2.03 N ATOM 2143 CD2 HIS B 340 9.131 4.130 -13.380 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.329 2.395 -14.700 1.00 52.42 C ATOM 2145 NE2 HIS B 340 9.016 3.722 -14.638 1.00 32.50 N ATOM 0 H HIS B 340 7.337 2.488 -11.969 1.00 23.10 H new ATOM 0 HA HIS B 340 8.862 2.103 -9.455 1.00 53.35 H new ATOM 0 HB2 HIS B 340 10.294 3.883 -10.807 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.501 2.150 -10.963 1.00 52.13 H new ATOM 0 HD2 HIS B 340 8.946 5.132 -13.021 1.00 35.32 H new ATOM 0 HE1 HIS B 340 9.325 1.783 -15.590 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.739 4.304 -15.428 1.00 32.50 H new ATOM 2153 N LEU B 341 8.101 4.135 -8.367 1.00 42.45 N ATOM 2154 CA LEU B 341 7.619 5.311 -7.664 1.00 42.21 C ATOM 2155 C LEU B 341 8.757 6.326 -7.534 1.00 60.12 C ATOM 2156 O LEU B 341 9.797 6.026 -6.951 1.00 1.40 O ATOM 2157 CB LEU B 341 6.992 4.916 -6.325 1.00 45.14 C ATOM 2158 CG LEU B 341 6.173 3.623 -6.324 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.351 3.497 -5.040 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.298 3.528 -7.576 1.00 55.44 C ATOM 0 H LEU B 341 8.508 3.417 -7.768 1.00 42.45 H new ATOM 0 HA LEU B 341 6.824 5.794 -8.232 1.00 42.21 H new ATOM 0 HB2 LEU B 341 7.789 4.819 -5.588 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.348 5.731 -5.993 1.00 45.14 H new ATOM 0 HG LEU B 341 6.864 2.780 -6.349 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.778 2.570 -5.064 1.00 65.35 H new ATOM 0 HD12 LEU B 341 6.020 3.488 -4.179 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.669 4.343 -4.960 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.726 2.600 -7.551 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.613 4.376 -7.606 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.930 3.540 -8.464 1.00 55.44 H new ATOM 2172 N SER B 342 8.520 7.506 -8.089 1.00 53.43 N ATOM 2173 CA SER B 342 9.513 8.566 -8.042 1.00 62.22 C ATOM 2174 C SER B 342 9.025 9.700 -7.138 1.00 15.10 C ATOM 2175 O SER B 342 7.953 10.260 -7.361 1.00 21.54 O ATOM 2176 CB SER B 342 9.815 9.099 -9.443 1.00 33.03 C ATOM 2177 OG SER B 342 9.516 8.139 -10.456 1.00 21.10 O ATOM 0 H SER B 342 7.656 7.751 -8.573 1.00 53.43 H new ATOM 0 HA SER B 342 10.435 8.153 -7.632 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.235 10.005 -9.619 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.867 9.377 -9.506 1.00 33.03 H new ATOM 0 HG SER B 342 9.721 8.518 -11.336 1.00 21.10 H new ATOM 2183 N SER B 343 9.836 10.004 -6.134 1.00 0.25 N ATOM 2184 CA SER B 343 9.500 11.061 -5.196 1.00 53.03 C ATOM 2185 C SER B 343 9.949 12.415 -5.749 1.00 5.52 C ATOM 2186 O SER B 343 9.935 13.417 -5.036 1.00 30.55 O ATOM 2187 CB SER B 343 10.142 10.808 -3.830 1.00 24.32 C ATOM 2188 OG SER B 343 10.562 12.018 -3.205 1.00 14.53 O ATOM 0 H SER B 343 10.724 9.537 -5.951 1.00 0.25 H new ATOM 0 HA SER B 343 8.418 11.070 -5.065 1.00 53.03 H new ATOM 0 HB2 SER B 343 9.430 10.295 -3.184 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.999 10.145 -3.949 1.00 24.32 H new ATOM 0 HG SER B 343 9.914 12.728 -3.398 1.00 14.53 H new ATOM 2194 N LYS B 344 10.336 12.402 -7.017 1.00 41.31 N ATOM 2195 CA LYS B 344 10.787 13.616 -7.674 1.00 25.42 C ATOM 2196 C LYS B 344 9.628 14.223 -8.466 1.00 71.41 C ATOM 2197 O LYS B 344 9.560 15.439 -8.641 1.00 5.30 O ATOM 2198 CB LYS B 344 12.030 13.336 -8.523 1.00 31.02 C ATOM 2199 CG LYS B 344 11.896 12.006 -9.267 1.00 5.42 C ATOM 2200 CD LYS B 344 12.526 10.863 -8.469 1.00 64.43 C ATOM 2201 CE LYS B 344 13.334 9.936 -9.380 1.00 14.43 C ATOM 2202 NZ LYS B 344 13.399 8.574 -8.806 1.00 22.20 N ATOM 0 H LYS B 344 10.346 11.569 -7.606 1.00 41.31 H new ATOM 0 HA LYS B 344 11.093 14.357 -6.935 1.00 25.42 H new ATOM 0 HB2 LYS B 344 12.176 14.145 -9.239 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.913 13.313 -7.885 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.843 11.791 -9.447 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.377 12.081 -10.242 1.00 5.42 H new ATOM 0 HD2 LYS B 344 13.174 11.271 -7.693 1.00 64.43 H new ATOM 0 HD3 LYS B 344 11.745 10.293 -7.965 1.00 64.43 H new ATOM 0 HE2 LYS B 344 12.877 9.899 -10.369 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.342 10.331 -9.509 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 14.199 8.058 -9.226 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 13.530 8.637 -7.776 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 12.514 8.068 -9.012 1.00 22.20 H new ATOM 2215 N GLU B 345 8.742 13.350 -8.922 1.00 53.15 N ATOM 2216 CA GLU B 345 7.588 13.785 -9.690 1.00 4.44 C ATOM 2217 C GLU B 345 6.429 14.135 -8.754 1.00 23.22 C ATOM 2218 O GLU B 345 5.364 14.550 -9.208 1.00 21.12 O ATOM 2219 CB GLU B 345 7.171 12.719 -10.705 1.00 53.02 C ATOM 2220 CG GLU B 345 8.376 12.224 -11.506 1.00 14.22 C ATOM 2221 CD GLU B 345 8.586 13.072 -12.762 1.00 0.42 C ATOM 2222 OE1 GLU B 345 9.116 14.189 -12.674 1.00 61.52 O ATOM 2223 OE2 GLU B 345 8.177 12.532 -13.860 1.00 24.43 O ATOM 0 H GLU B 345 8.800 12.342 -8.774 1.00 53.15 H new ATOM 0 HA GLU B 345 7.863 14.681 -10.247 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.705 11.881 -10.187 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.423 13.130 -11.383 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.270 12.261 -10.884 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.227 11.182 -11.788 1.00 14.22 H new ATOM 2231 N VAL B 346 6.675 13.954 -7.465 1.00 4.42 N ATOM 2232 CA VAL B 346 5.665 14.245 -6.462 1.00 33.24 C ATOM 2233 C VAL B 346 5.582 15.759 -6.253 1.00 64.22 C ATOM 2234 O VAL B 346 6.330 16.516 -6.869 1.00 4.44 O ATOM 2235 CB VAL B 346 5.972 13.479 -5.174 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.055 11.974 -5.436 1.00 34.11 C ATOM 2237 CG2 VAL B 346 7.258 13.994 -4.523 1.00 13.23 C ATOM 0 H VAL B 346 7.560 13.609 -7.092 1.00 4.42 H new ATOM 0 HA VAL B 346 4.684 13.909 -6.798 1.00 33.24 H new ATOM 0 HB VAL B 346 5.151 13.652 -4.478 1.00 73.12 H new ATOM 0 HG11 VAL B 346 6.274 11.454 -4.504 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.103 11.621 -5.833 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.847 11.773 -6.158 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.453 13.433 -3.609 1.00 13.23 H new ATOM 0 HG22 VAL B 346 8.092 13.865 -5.213 1.00 13.23 H new ATOM 0 HG23 VAL B 346 7.146 15.051 -4.282 1.00 13.23 H new ATOM 2247 N ASP B 347 4.664 16.153 -5.382 1.00 64.45 N ATOM 2248 CA ASP B 347 4.474 17.563 -5.085 1.00 13.23 C ATOM 2249 C ASP B 347 5.532 18.014 -4.077 1.00 41.10 C ATOM 2250 O ASP B 347 5.928 19.179 -4.066 1.00 60.02 O ATOM 2251 CB ASP B 347 3.096 17.814 -4.469 1.00 11.14 C ATOM 2252 CG ASP B 347 2.536 19.221 -4.688 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.930 19.925 -5.628 1.00 44.22 O ATOM 2254 OD2 ASP B 347 1.645 19.592 -3.832 1.00 54.24 O ATOM 0 H ASP B 347 4.045 15.522 -4.873 1.00 64.45 H new ATOM 0 HA ASP B 347 4.559 18.120 -6.018 1.00 13.23 H new ATOM 0 HB2 ASP B 347 2.393 17.091 -4.882 1.00 11.14 H new ATOM 0 HB3 ASP B 347 3.154 17.625 -3.397 1.00 11.14 H new TER 2260 ASP B 347