USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1127 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 GLN :FLIP amide:sc= -6.07! C(o=-8.4!,f=-5.3!) USER MOD Set 1.2: A 115 SER OG : rot -43:sc= 0.764 USER MOD Set 2.1: A 59 ASN :FLIP amide:sc= -0.183 F(o=-0.79,f=-0.19) USER MOD Set 2.2: A 61 SER OG : rot 180:sc= -0.0077 USER MOD Single : A 0 SER N :NH3+ 162:sc= -0.0127 (180deg=-0.383) USER MOD Single : A 0 SER OG : rot 180:sc= 0 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+ 127:sc= -0.16 (180deg=-0.756) USER MOD Single : A 6 THR OG1 : rot -170:sc= -0.842 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0912 X(o=-0.091,f=-0.017) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.706 K(o=-0.71,f=-5.4!) USER MOD Single : A 27 HIS : no HE2:sc= -2.92 X(o=-2.9,f=-3.2) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.157) 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+ -154:sc= 0 (180deg=-0.0108) USER MOD Single : A 43 GLN : amide:sc= -1.38 X(o=-1.4,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ -113:sc= -1.49 (180deg=-4.37!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= -0.0679 (180deg=-0.587) USER MOD Single : A 57 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-3.6!) USER MOD Single : A 60 MET CE :methyl 148:sc= -3.18 (180deg=-4.92!) USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= -1.19 (180deg=-2.11!) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 74 ASN : amide:sc=-0.00504 X(o=-0.005,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.25) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.623 F(o=-1.5!,f=-0.62) USER MOD Single : A 86 HIS : no HE2:sc= -6.94! C(o=-6.9!,f=-9!) USER MOD Single : A 87 SER OG : rot 140:sc= 0 USER MOD Single : A 88 MET CE :methyl -147:sc= -1.46 (180deg=-3.01!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -48:sc= 0.019 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.497 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 105:sc= 0.928 USER MOD Single : A 111 MET CE :methyl -146:sc= -3.68! (180deg=-6.92!) USER MOD Single : A 113 TYR OH : rot 47:sc= 1.34 USER MOD Single : A 116 GLN :FLIP amide:sc= -0.0762 F(o=-0.89,f=-0.076) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 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 70:sc= 0.0537 USER MOD Single : B 340 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 180:sc= -0.0274 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -19.021 -18.624 -3.365 1.00 13.40 N ATOM 2 CA SER A 0 -20.122 -18.062 -4.128 1.00 44.32 C ATOM 3 C SER A 0 -20.644 -16.798 -3.439 1.00 24.50 C ATOM 4 O SER A 0 -21.842 -16.521 -3.466 1.00 54.43 O ATOM 5 CB SER A 0 -21.252 -19.078 -4.297 1.00 50.33 C ATOM 6 OG SER A 0 -20.804 -20.275 -4.928 1.00 54.05 O ATOM 0 H1 SER A 0 -18.872 -19.614 -3.648 1.00 13.40 H new ATOM 0 H2 SER A 0 -18.156 -18.077 -3.550 1.00 13.40 H new ATOM 0 H3 SER A 0 -19.246 -18.584 -2.350 1.00 13.40 H new ATOM 0 HA SER A 0 -19.752 -17.803 -5.120 1.00 44.32 H new ATOM 0 HB2 SER A 0 -21.672 -19.318 -3.320 1.00 50.33 H new ATOM 0 HB3 SER A 0 -22.053 -18.634 -4.888 1.00 50.33 H new ATOM 0 HG SER A 0 -21.555 -20.899 -5.016 1.00 54.05 H new ATOM 13 N MET A 1 -19.718 -16.065 -2.838 1.00 31.35 N ATOM 14 CA MET A 1 -20.069 -14.839 -2.143 1.00 61.55 C ATOM 15 C MET A 1 -19.879 -13.621 -3.050 1.00 74.03 C ATOM 16 O MET A 1 -19.081 -13.659 -3.986 1.00 34.20 O ATOM 17 CB MET A 1 -19.193 -14.688 -0.897 1.00 3.04 C ATOM 18 CG MET A 1 -19.631 -15.660 0.201 1.00 13.42 C ATOM 19 SD MET A 1 -21.248 -15.210 0.807 1.00 33.40 S ATOM 20 CE MET A 1 -21.235 -16.048 2.382 1.00 2.42 C ATOM 0 H MET A 1 -18.725 -16.297 -2.818 1.00 31.35 H new ATOM 0 HA MET A 1 -21.119 -14.895 -1.855 1.00 61.55 H new ATOM 0 HB2 MET A 1 -18.150 -14.872 -1.156 1.00 3.04 H new ATOM 0 HB3 MET A 1 -19.253 -13.664 -0.527 1.00 3.04 H new ATOM 0 HG2 MET A 1 -19.650 -16.677 -0.189 1.00 13.42 H new ATOM 0 HG3 MET A 1 -18.910 -15.646 1.019 1.00 13.42 H new ATOM 0 HE1 MET A 1 -22.179 -15.870 2.897 1.00 2.42 H new ATOM 0 HE2 MET A 1 -21.104 -17.118 2.224 1.00 2.42 H new ATOM 0 HE3 MET A 1 -20.414 -15.668 2.989 1.00 2.42 H new ATOM 30 N PRO A 2 -20.645 -12.544 -2.734 1.00 72.22 N ATOM 31 CA PRO A 2 -20.569 -11.317 -3.510 1.00 32.22 C ATOM 32 C PRO A 2 -19.288 -10.545 -3.189 1.00 33.04 C ATOM 33 O PRO A 2 -19.044 -9.479 -3.753 1.00 20.31 O ATOM 34 CB PRO A 2 -21.831 -10.548 -3.155 1.00 4.41 C ATOM 35 CG PRO A 2 -22.334 -11.151 -1.853 1.00 61.45 C ATOM 36 CD PRO A 2 -21.601 -12.463 -1.633 1.00 64.53 C ATOM 0 HA PRO A 2 -20.519 -11.500 -4.583 1.00 32.22 H new ATOM 0 HB2 PRO A 2 -21.621 -9.485 -3.038 1.00 4.41 H new ATOM 0 HB3 PRO A 2 -22.579 -10.640 -3.943 1.00 4.41 H new ATOM 0 HG2 PRO A 2 -22.154 -10.469 -1.022 1.00 61.45 H new ATOM 0 HG3 PRO A 2 -23.410 -11.318 -1.900 1.00 61.45 H new ATOM 0 HD2 PRO A 2 -21.095 -12.477 -0.668 1.00 64.53 H new ATOM 0 HD3 PRO A 2 -22.290 -13.308 -1.644 1.00 64.53 H new ATOM 44 N SER A 3 -18.503 -11.112 -2.285 1.00 54.55 N ATOM 45 CA SER A 3 -17.253 -10.489 -1.883 1.00 22.24 C ATOM 46 C SER A 3 -16.084 -11.133 -2.630 1.00 14.34 C ATOM 47 O SER A 3 -15.720 -12.276 -2.356 1.00 50.13 O ATOM 48 CB SER A 3 -17.043 -10.602 -0.372 1.00 33.41 C ATOM 49 OG SER A 3 -16.196 -9.569 0.128 1.00 60.34 O ATOM 0 H SER A 3 -18.708 -11.996 -1.819 1.00 54.55 H new ATOM 0 HA SER A 3 -17.301 -9.430 -2.138 1.00 22.24 H new ATOM 0 HB2 SER A 3 -18.008 -10.556 0.133 1.00 33.41 H new ATOM 0 HB3 SER A 3 -16.607 -11.573 -0.138 1.00 33.41 H new ATOM 0 HG SER A 3 -16.088 -9.675 1.096 1.00 60.34 H new ATOM 55 N GLU A 4 -15.526 -10.372 -3.561 1.00 34.45 N ATOM 56 CA GLU A 4 -14.406 -10.854 -4.349 1.00 54.11 C ATOM 57 C GLU A 4 -13.240 -11.239 -3.437 1.00 11.33 C ATOM 58 O GLU A 4 -12.907 -10.506 -2.507 1.00 33.54 O ATOM 59 CB GLU A 4 -13.973 -9.810 -5.381 1.00 54.23 C ATOM 60 CG GLU A 4 -12.594 -10.145 -5.955 1.00 71.21 C ATOM 61 CD GLU A 4 -12.515 -11.617 -6.368 1.00 41.21 C ATOM 62 OE1 GLU A 4 -13.493 -12.165 -6.899 1.00 71.45 O ATOM 63 OE2 GLU A 4 -11.387 -12.193 -6.120 1.00 44.24 O ATOM 0 H GLU A 4 -15.830 -9.425 -3.787 1.00 34.45 H new ATOM 0 HA GLU A 4 -14.726 -11.744 -4.891 1.00 54.11 H new ATOM 0 HB2 GLU A 4 -14.705 -9.765 -6.187 1.00 54.23 H new ATOM 0 HB3 GLU A 4 -13.948 -8.824 -4.917 1.00 54.23 H new ATOM 0 HG2 GLU A 4 -12.391 -9.510 -6.817 1.00 71.21 H new ATOM 0 HG3 GLU A 4 -11.825 -9.930 -5.213 1.00 71.21 H new ATOM 71 N LYS A 5 -12.652 -12.388 -3.735 1.00 65.13 N ATOM 72 CA LYS A 5 -11.530 -12.879 -2.952 1.00 64.22 C ATOM 73 C LYS A 5 -10.480 -11.774 -2.824 1.00 42.21 C ATOM 74 O LYS A 5 -10.664 -10.675 -3.344 1.00 42.45 O ATOM 75 CB LYS A 5 -10.986 -14.178 -3.552 1.00 3.33 C ATOM 76 CG LYS A 5 -11.895 -15.361 -3.213 1.00 34.13 C ATOM 77 CD LYS A 5 -11.889 -15.643 -1.709 1.00 12.43 C ATOM 78 CE LYS A 5 -12.477 -17.024 -1.408 1.00 30.32 C ATOM 79 NZ LYS A 5 -11.653 -18.085 -2.028 1.00 30.40 N ATOM 0 H LYS A 5 -12.931 -12.993 -4.507 1.00 65.13 H new ATOM 0 HA LYS A 5 -11.852 -13.131 -1.942 1.00 64.22 H new ATOM 0 HB2 LYS A 5 -10.904 -14.076 -4.634 1.00 3.33 H new ATOM 0 HB3 LYS A 5 -9.982 -14.366 -3.172 1.00 3.33 H new ATOM 0 HG2 LYS A 5 -12.912 -15.149 -3.543 1.00 34.13 H new ATOM 0 HG3 LYS A 5 -11.562 -16.247 -3.754 1.00 34.13 H new ATOM 0 HD2 LYS A 5 -10.869 -15.587 -1.329 1.00 12.43 H new ATOM 0 HD3 LYS A 5 -12.465 -14.877 -1.189 1.00 12.43 H new ATOM 0 HE2 LYS A 5 -12.527 -17.177 -0.330 1.00 30.32 H new ATOM 0 HE3 LYS A 5 -13.498 -17.081 -1.785 1.00 30.32 H new ATOM 0 HZ1 LYS A 5 -11.391 -18.787 -1.307 1.00 30.40 H new ATOM 0 HZ2 LYS A 5 -12.197 -18.550 -2.783 1.00 30.40 H new ATOM 0 HZ3 LYS A 5 -10.791 -17.664 -2.431 1.00 30.40 H new ATOM 92 N THR A 6 -9.402 -12.105 -2.128 1.00 33.53 N ATOM 93 CA THR A 6 -8.322 -11.153 -1.925 1.00 4.02 C ATOM 94 C THR A 6 -6.997 -11.737 -2.420 1.00 30.43 C ATOM 95 O THR A 6 -6.797 -12.949 -2.384 1.00 52.20 O ATOM 96 CB THR A 6 -8.301 -10.770 -0.444 1.00 22.24 C ATOM 97 OG1 THR A 6 -8.548 -11.999 0.235 1.00 4.11 O ATOM 98 CG2 THR A 6 -9.485 -9.884 -0.052 1.00 10.13 C ATOM 0 H THR A 6 -9.253 -13.018 -1.698 1.00 33.53 H new ATOM 0 HA THR A 6 -8.480 -10.246 -2.508 1.00 4.02 H new ATOM 0 HB THR A 6 -7.369 -10.253 -0.216 1.00 22.24 H new ATOM 0 HG1 THR A 6 -8.708 -11.821 1.185 1.00 4.11 H new ATOM 0 HG21 THR A 6 -9.422 -9.641 1.009 1.00 10.13 H new ATOM 0 HG22 THR A 6 -9.461 -8.964 -0.637 1.00 10.13 H new ATOM 0 HG23 THR A 6 -10.417 -10.414 -0.248 1.00 10.13 H new ATOM 106 N PHE A 7 -6.127 -10.845 -2.873 1.00 14.25 N ATOM 107 CA PHE A 7 -4.827 -11.256 -3.374 1.00 2.32 C ATOM 108 C PHE A 7 -4.209 -12.333 -2.480 1.00 75.30 C ATOM 109 O PHE A 7 -3.408 -13.144 -2.941 1.00 5.33 O ATOM 110 CB PHE A 7 -3.929 -10.018 -3.357 1.00 22.33 C ATOM 111 CG PHE A 7 -4.204 -9.066 -2.192 1.00 1.32 C ATOM 112 CD1 PHE A 7 -3.644 -9.301 -0.975 1.00 42.21 C ATOM 113 CD2 PHE A 7 -5.010 -7.985 -2.373 1.00 23.32 C ATOM 114 CE1 PHE A 7 -3.900 -8.416 0.108 1.00 62.01 C ATOM 115 CE2 PHE A 7 -5.265 -7.101 -1.291 1.00 4.32 C ATOM 116 CZ PHE A 7 -4.705 -7.335 -0.074 1.00 45.41 C ATOM 0 H PHE A 7 -6.298 -9.840 -2.903 1.00 14.25 H new ATOM 0 HA PHE A 7 -4.929 -11.670 -4.377 1.00 2.32 H new ATOM 0 HB2 PHE A 7 -2.888 -10.338 -3.314 1.00 22.33 H new ATOM 0 HB3 PHE A 7 -4.057 -9.476 -4.294 1.00 22.33 H new ATOM 0 HD1 PHE A 7 -3.005 -10.160 -0.831 1.00 42.21 H new ATOM 0 HD2 PHE A 7 -5.456 -7.799 -3.339 1.00 23.32 H new ATOM 0 HE1 PHE A 7 -3.455 -8.602 1.075 1.00 62.01 H new ATOM 0 HE2 PHE A 7 -5.904 -6.242 -1.435 1.00 4.32 H new ATOM 0 HZ PHE A 7 -4.900 -6.662 0.748 1.00 45.41 H new ATOM 126 N LYS A 8 -4.605 -12.305 -1.216 1.00 44.22 N ATOM 127 CA LYS A 8 -4.100 -13.267 -0.252 1.00 32.53 C ATOM 128 C LYS A 8 -4.726 -14.637 -0.529 1.00 55.43 C ATOM 129 O LYS A 8 -4.023 -15.644 -0.584 1.00 63.02 O ATOM 130 CB LYS A 8 -4.325 -12.766 1.176 1.00 13.04 C ATOM 131 CG LYS A 8 -5.818 -12.697 1.503 1.00 74.23 C ATOM 132 CD LYS A 8 -6.066 -11.859 2.760 1.00 43.31 C ATOM 133 CE LYS A 8 -5.830 -12.687 4.024 1.00 73.45 C ATOM 134 NZ LYS A 8 -5.466 -11.808 5.158 1.00 62.03 N ATOM 0 H LYS A 8 -5.270 -11.631 -0.837 1.00 44.22 H new ATOM 0 HA LYS A 8 -3.021 -13.381 -0.358 1.00 32.53 H new ATOM 0 HB2 LYS A 8 -3.825 -13.430 1.881 1.00 13.04 H new ATOM 0 HB3 LYS A 8 -3.877 -11.779 1.294 1.00 13.04 H new ATOM 0 HG2 LYS A 8 -6.359 -12.265 0.661 1.00 74.23 H new ATOM 0 HG3 LYS A 8 -6.209 -13.704 1.650 1.00 74.23 H new ATOM 0 HD2 LYS A 8 -5.405 -10.992 2.760 1.00 43.31 H new ATOM 0 HD3 LYS A 8 -7.088 -11.481 2.754 1.00 43.31 H new ATOM 0 HE2 LYS A 8 -6.729 -13.253 4.269 1.00 73.45 H new ATOM 0 HE3 LYS A 8 -5.035 -13.412 3.848 1.00 73.45 H new ATOM 0 HZ1 LYS A 8 -5.309 -12.386 6.009 1.00 62.03 H new ATOM 0 HZ2 LYS A 8 -4.596 -11.287 4.928 1.00 62.03 H new ATOM 0 HZ3 LYS A 8 -6.237 -11.133 5.335 1.00 62.03 H new ATOM 147 N GLN A 9 -6.039 -14.628 -0.696 1.00 11.21 N ATOM 148 CA GLN A 9 -6.769 -15.855 -0.966 1.00 54.31 C ATOM 149 C GLN A 9 -6.766 -16.154 -2.466 1.00 44.42 C ATOM 150 O GLN A 9 -6.196 -17.153 -2.903 1.00 24.31 O ATOM 151 CB GLN A 9 -8.197 -15.775 -0.425 1.00 22.42 C ATOM 152 CG GLN A 9 -8.227 -16.026 1.084 1.00 2.22 C ATOM 153 CD GLN A 9 -8.236 -17.524 1.391 1.00 30.23 C ATOM 154 OE1 GLN A 9 -7.326 -18.067 1.995 1.00 60.23 O ATOM 155 NE2 GLN A 9 -9.314 -18.162 0.942 1.00 51.32 N ATOM 0 H GLN A 9 -6.618 -13.789 -0.650 1.00 11.21 H new ATOM 0 HA GLN A 9 -6.267 -16.674 -0.451 1.00 54.31 H new ATOM 0 HB2 GLN A 9 -8.617 -14.793 -0.642 1.00 22.42 H new ATOM 0 HB3 GLN A 9 -8.823 -16.509 -0.932 1.00 22.42 H new ATOM 0 HG2 GLN A 9 -7.359 -15.561 1.551 1.00 2.22 H new ATOM 0 HG3 GLN A 9 -9.111 -15.557 1.517 1.00 2.22 H new ATOM 0 HE21 GLN A 9 -10.040 -17.648 0.443 1.00 51.32 H new ATOM 0 HE22 GLN A 9 -9.414 -19.165 1.097 1.00 51.32 H new ATOM 164 N ARG A 10 -7.410 -15.272 -3.214 1.00 33.32 N ATOM 165 CA ARG A 10 -7.490 -15.428 -4.657 1.00 63.54 C ATOM 166 C ARG A 10 -6.121 -15.807 -5.225 1.00 21.45 C ATOM 167 O ARG A 10 -5.906 -16.949 -5.628 1.00 12.11 O ATOM 168 CB ARG A 10 -7.974 -14.140 -5.326 1.00 14.11 C ATOM 169 CG ARG A 10 -8.118 -14.328 -6.837 1.00 62.12 C ATOM 170 CD ARG A 10 -9.098 -15.459 -7.158 1.00 31.52 C ATOM 171 NE ARG A 10 -9.639 -15.287 -8.525 1.00 21.25 N ATOM 172 CZ ARG A 10 -10.300 -16.249 -9.203 1.00 24.41 C ATOM 173 NH1 ARG A 10 -10.508 -17.461 -8.647 1.00 13.41 N ATOM 174 NH2 ARG A 10 -10.741 -15.986 -10.420 1.00 1.04 N ATOM 0 H ARG A 10 -7.882 -14.445 -2.848 1.00 33.32 H new ATOM 0 HA ARG A 10 -8.207 -16.222 -4.865 1.00 63.54 H new ATOM 0 HB2 ARG A 10 -8.932 -13.843 -4.900 1.00 14.11 H new ATOM 0 HB3 ARG A 10 -7.270 -13.333 -5.122 1.00 14.11 H new ATOM 0 HG2 ARG A 10 -8.466 -13.400 -7.291 1.00 62.12 H new ATOM 0 HG3 ARG A 10 -7.144 -14.551 -7.274 1.00 62.12 H new ATOM 0 HD2 ARG A 10 -8.594 -16.422 -7.076 1.00 31.52 H new ATOM 0 HD3 ARG A 10 -9.912 -15.462 -6.433 1.00 31.52 H new ATOM 0 HE ARG A 10 -9.504 -14.386 -8.983 1.00 21.25 H new ATOM 0 HH11 ARG A 10 -10.165 -17.656 -7.707 1.00 13.41 H new ATOM 0 HH12 ARG A 10 -11.009 -18.182 -9.167 1.00 13.41 H new ATOM 0 HH21 ARG A 10 -10.580 -15.067 -10.833 1.00 1.04 H new ATOM 0 HH22 ARG A 10 -11.242 -16.701 -10.946 1.00 1.04 H new ATOM 187 N ARG A 11 -5.231 -14.825 -5.243 1.00 45.45 N ATOM 188 CA ARG A 11 -3.889 -15.041 -5.755 1.00 60.44 C ATOM 189 C ARG A 11 -3.098 -15.950 -4.811 1.00 23.52 C ATOM 190 O ARG A 11 -2.843 -15.586 -3.665 1.00 70.40 O ATOM 191 CB ARG A 11 -3.142 -13.716 -5.920 1.00 33.13 C ATOM 192 CG ARG A 11 -3.201 -13.230 -7.369 1.00 63.31 C ATOM 193 CD ARG A 11 -4.553 -12.584 -7.678 1.00 62.03 C ATOM 194 NE ARG A 11 -4.897 -12.786 -9.102 1.00 52.54 N ATOM 195 CZ ARG A 11 -5.869 -12.108 -9.750 1.00 14.32 C ATOM 196 NH1 ARG A 11 -6.603 -11.177 -9.102 1.00 51.33 N ATOM 197 NH2 ARG A 11 -6.092 -12.369 -11.024 1.00 0.21 N ATOM 0 H ARG A 11 -5.414 -13.878 -4.911 1.00 45.45 H new ATOM 0 HA ARG A 11 -3.981 -15.518 -6.731 1.00 60.44 H new ATOM 0 HB2 ARG A 11 -3.578 -12.964 -5.262 1.00 33.13 H new ATOM 0 HB3 ARG A 11 -2.103 -13.840 -5.616 1.00 33.13 H new ATOM 0 HG2 ARG A 11 -2.401 -12.511 -7.548 1.00 63.31 H new ATOM 0 HG3 ARG A 11 -3.032 -14.069 -8.044 1.00 63.31 H new ATOM 0 HD2 ARG A 11 -5.326 -13.018 -7.044 1.00 62.03 H new ATOM 0 HD3 ARG A 11 -4.516 -11.518 -7.452 1.00 62.03 H new ATOM 0 HE ARG A 11 -4.367 -13.481 -9.628 1.00 52.54 H new ATOM 0 HH11 ARG A 11 -6.425 -10.982 -8.117 1.00 51.33 H new ATOM 0 HH12 ARG A 11 -7.335 -10.669 -9.598 1.00 51.33 H new ATOM 0 HH21 ARG A 11 -5.534 -13.074 -11.505 1.00 0.21 H new ATOM 0 HH22 ARG A 11 -6.822 -11.866 -11.527 1.00 0.21 H new ATOM 210 N SER A 12 -2.734 -17.114 -5.328 1.00 42.14 N ATOM 211 CA SER A 12 -1.979 -18.077 -4.545 1.00 40.31 C ATOM 212 C SER A 12 -0.721 -17.418 -3.977 1.00 43.33 C ATOM 213 O SER A 12 0.033 -16.777 -4.708 1.00 14.04 O ATOM 214 CB SER A 12 -1.605 -19.298 -5.387 1.00 20.01 C ATOM 215 OG SER A 12 -2.432 -20.422 -5.097 1.00 61.51 O ATOM 0 H SER A 12 -2.948 -17.412 -6.280 1.00 42.14 H new ATOM 0 HA SER A 12 -2.607 -18.416 -3.721 1.00 40.31 H new ATOM 0 HB2 SER A 12 -1.691 -19.049 -6.445 1.00 20.01 H new ATOM 0 HB3 SER A 12 -0.562 -19.559 -5.204 1.00 20.01 H new ATOM 0 HG SER A 12 -2.162 -21.180 -5.657 1.00 61.51 H new ATOM 221 N PHE A 13 -0.533 -17.598 -2.678 1.00 41.44 N ATOM 222 CA PHE A 13 0.621 -17.028 -2.003 1.00 63.33 C ATOM 223 C PHE A 13 1.904 -17.286 -2.797 1.00 44.41 C ATOM 224 O PHE A 13 2.533 -16.349 -3.286 1.00 20.03 O ATOM 225 CB PHE A 13 0.730 -17.720 -0.643 1.00 2.14 C ATOM 226 CG PHE A 13 1.313 -16.836 0.461 1.00 71.11 C ATOM 227 CD1 PHE A 13 0.921 -15.538 0.570 1.00 5.52 C ATOM 228 CD2 PHE A 13 2.225 -17.347 1.331 1.00 23.23 C ATOM 229 CE1 PHE A 13 1.463 -14.717 1.594 1.00 33.33 C ATOM 230 CE2 PHE A 13 2.766 -16.525 2.356 1.00 5.13 C ATOM 231 CZ PHE A 13 2.373 -15.228 2.466 1.00 61.43 C ATOM 0 H PHE A 13 -1.160 -18.130 -2.075 1.00 41.44 H new ATOM 0 HA PHE A 13 0.498 -15.950 -1.903 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.261 -18.058 -0.338 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.352 -18.609 -0.748 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.198 -15.132 -0.122 1.00 5.52 H new ATOM 0 HD2 PHE A 13 2.538 -18.377 1.243 1.00 23.23 H new ATOM 0 HE1 PHE A 13 1.152 -13.686 1.680 1.00 33.33 H new ATOM 0 HE2 PHE A 13 3.489 -16.930 3.048 1.00 5.13 H new ATOM 0 HZ PHE A 13 2.783 -14.604 3.246 1.00 61.43 H new ATOM 241 N GLU A 14 2.251 -18.560 -2.902 1.00 55.44 N ATOM 242 CA GLU A 14 3.446 -18.953 -3.628 1.00 2.44 C ATOM 243 C GLU A 14 3.439 -18.344 -5.032 1.00 21.01 C ATOM 244 O GLU A 14 4.484 -18.236 -5.671 1.00 32.24 O ATOM 245 CB GLU A 14 3.574 -20.476 -3.692 1.00 3.33 C ATOM 246 CG GLU A 14 4.298 -21.017 -2.457 1.00 34.15 C ATOM 247 CD GLU A 14 3.809 -22.425 -2.108 1.00 72.44 C ATOM 248 OE1 GLU A 14 4.053 -23.373 -2.870 1.00 44.41 O ATOM 249 OE2 GLU A 14 3.155 -22.516 -1.001 1.00 21.22 O ATOM 0 H GLU A 14 1.725 -19.334 -2.496 1.00 55.44 H new ATOM 0 HA GLU A 14 4.315 -18.571 -3.091 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.583 -20.925 -3.763 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.119 -20.761 -4.592 1.00 3.33 H new ATOM 0 HG2 GLU A 14 5.372 -21.036 -2.640 1.00 34.15 H new ATOM 0 HG3 GLU A 14 4.131 -20.350 -1.611 1.00 34.15 H new ATOM 257 N GLN A 15 2.247 -17.963 -5.471 1.00 45.15 N ATOM 258 CA GLN A 15 2.089 -17.369 -6.787 1.00 41.13 C ATOM 259 C GLN A 15 2.381 -15.868 -6.729 1.00 53.54 C ATOM 260 O GLN A 15 2.848 -15.285 -7.707 1.00 72.22 O ATOM 261 CB GLN A 15 0.690 -17.634 -7.344 1.00 53.44 C ATOM 262 CG GLN A 15 0.732 -18.684 -8.456 1.00 54.20 C ATOM 263 CD GLN A 15 0.784 -18.020 -9.834 1.00 14.33 C ATOM 264 OE1 GLN A 15 1.556 -16.940 -9.885 1.00 75.04 O flip ATOM 265 NE2 GLN A 15 0.163 -18.462 -10.787 1.00 10.33 N flip ATOM 0 H GLN A 15 1.382 -18.055 -4.938 1.00 45.15 H new ATOM 0 HA GLN A 15 2.807 -17.834 -7.463 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.034 -17.974 -6.543 1.00 53.44 H new ATOM 0 HB3 GLN A 15 0.267 -16.707 -7.730 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.604 -19.325 -8.324 1.00 54.20 H new ATOM 0 HG3 GLN A 15 -0.147 -19.325 -8.390 1.00 54.20 H new ATOM 0 HE21 GLN A 15 -0.412 -19.297 -10.678 1.00 10.33 H new ATOM 0 HE22 GLN A 15 0.219 -17.996 -11.693 1.00 10.33 H new ATOM 274 N ARG A 16 2.094 -15.285 -5.574 1.00 3.03 N ATOM 275 CA ARG A 16 2.320 -13.864 -5.377 1.00 14.35 C ATOM 276 C ARG A 16 3.724 -13.621 -4.818 1.00 53.10 C ATOM 277 O ARG A 16 4.246 -12.511 -4.903 1.00 3.11 O ATOM 278 CB ARG A 16 1.287 -13.270 -4.417 1.00 24.11 C ATOM 279 CG ARG A 16 1.257 -11.744 -4.519 1.00 72.42 C ATOM 280 CD ARG A 16 -0.131 -11.198 -4.176 1.00 11.40 C ATOM 281 NE ARG A 16 -0.947 -11.086 -5.405 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.668 -10.246 -6.425 1.00 12.01 C ATOM 283 NH1 ARG A 16 0.412 -9.438 -6.371 1.00 15.11 N ATOM 284 NH2 ARG A 16 -1.467 -10.227 -7.476 1.00 73.11 N ATOM 0 H ARG A 16 1.707 -15.771 -4.765 1.00 3.03 H new ATOM 0 HA ARG A 16 2.222 -13.376 -6.347 1.00 14.35 H new ATOM 0 HB2 ARG A 16 0.300 -13.673 -4.645 1.00 24.11 H new ATOM 0 HB3 ARG A 16 1.524 -13.565 -3.395 1.00 24.11 H new ATOM 0 HG2 ARG A 16 1.997 -11.316 -3.843 1.00 72.42 H new ATOM 0 HG3 ARG A 16 1.533 -11.438 -5.528 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -0.624 -11.857 -3.461 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -0.040 -10.222 -3.700 1.00 11.40 H new ATOM 0 HE ARG A 16 -1.772 -11.680 -5.487 1.00 51.11 H new ATOM 0 HH11 ARG A 16 1.024 -9.459 -5.556 1.00 15.11 H new ATOM 0 HH12 ARG A 16 0.616 -8.806 -7.146 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -2.281 -10.841 -7.509 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -1.270 -9.598 -8.255 1.00 73.11 H new ATOM 297 N VAL A 17 4.294 -14.679 -4.260 1.00 23.21 N ATOM 298 CA VAL A 17 5.627 -14.594 -3.688 1.00 72.24 C ATOM 299 C VAL A 17 6.666 -14.721 -4.804 1.00 12.31 C ATOM 300 O VAL A 17 7.650 -13.984 -4.828 1.00 41.11 O ATOM 301 CB VAL A 17 5.794 -15.651 -2.594 1.00 61.12 C ATOM 302 CG1 VAL A 17 4.532 -15.756 -1.736 1.00 70.24 C ATOM 303 CG2 VAL A 17 6.165 -17.009 -3.194 1.00 4.10 C ATOM 0 H VAL A 17 3.858 -15.598 -4.192 1.00 23.21 H new ATOM 0 HA VAL A 17 5.777 -13.625 -3.213 1.00 72.24 H new ATOM 0 HB VAL A 17 6.613 -15.337 -1.947 1.00 61.12 H new ATOM 0 HG11 VAL A 17 4.677 -16.514 -0.966 1.00 70.24 H new ATOM 0 HG12 VAL A 17 4.332 -14.794 -1.264 1.00 70.24 H new ATOM 0 HG13 VAL A 17 3.687 -16.035 -2.365 1.00 70.24 H new ATOM 0 HG21 VAL A 17 6.278 -17.741 -2.395 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.378 -17.333 -3.875 1.00 4.10 H new ATOM 0 HG23 VAL A 17 7.104 -16.921 -3.740 1.00 4.10 H new ATOM 313 N GLU A 18 6.411 -15.662 -5.702 1.00 25.41 N ATOM 314 CA GLU A 18 7.311 -15.895 -6.818 1.00 5.04 C ATOM 315 C GLU A 18 7.463 -14.621 -7.652 1.00 14.13 C ATOM 316 O GLU A 18 8.453 -14.455 -8.363 1.00 42.13 O ATOM 317 CB GLU A 18 6.825 -17.061 -7.681 1.00 74.55 C ATOM 318 CG GLU A 18 7.870 -17.438 -8.734 1.00 43.23 C ATOM 319 CD GLU A 18 8.766 -18.573 -8.235 1.00 34.23 C ATOM 320 OE1 GLU A 18 9.539 -19.143 -9.019 1.00 42.32 O ATOM 321 OE2 GLU A 18 8.638 -18.858 -6.983 1.00 63.31 O ATOM 0 H GLU A 18 5.594 -16.272 -5.679 1.00 25.41 H new ATOM 0 HA GLU A 18 8.289 -16.164 -6.420 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.614 -17.923 -7.048 1.00 74.55 H new ATOM 0 HB3 GLU A 18 5.890 -16.790 -8.172 1.00 74.55 H new ATOM 0 HG2 GLU A 18 7.371 -17.742 -9.654 1.00 43.23 H new ATOM 0 HG3 GLU A 18 8.480 -16.567 -8.974 1.00 43.23 H new ATOM 329 N ASP A 19 6.468 -13.755 -7.537 1.00 32.14 N ATOM 330 CA ASP A 19 6.478 -12.502 -8.272 1.00 24.24 C ATOM 331 C ASP A 19 7.621 -11.623 -7.758 1.00 51.31 C ATOM 332 O ASP A 19 8.494 -11.223 -8.525 1.00 42.23 O ATOM 333 CB ASP A 19 5.168 -11.736 -8.074 1.00 51.12 C ATOM 334 CG ASP A 19 4.740 -10.869 -9.260 1.00 40.34 C ATOM 335 OD1 ASP A 19 3.558 -10.836 -9.634 1.00 21.13 O ATOM 336 OD2 ASP A 19 5.692 -10.198 -9.816 1.00 21.13 O ATOM 0 H ASP A 19 5.649 -13.896 -6.946 1.00 32.14 H new ATOM 0 HA ASP A 19 6.605 -12.733 -9.330 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.374 -12.452 -7.862 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.266 -11.099 -7.195 1.00 51.12 H new ATOM 342 N VAL A 20 7.577 -11.350 -6.462 1.00 71.23 N ATOM 343 CA VAL A 20 8.598 -10.527 -5.836 1.00 54.42 C ATOM 344 C VAL A 20 9.980 -11.050 -6.229 1.00 35.23 C ATOM 345 O VAL A 20 10.872 -10.271 -6.561 1.00 13.24 O ATOM 346 CB VAL A 20 8.381 -10.486 -4.323 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.262 -11.518 -3.614 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.631 -9.081 -3.770 1.00 35.51 C ATOM 0 H VAL A 20 6.851 -11.684 -5.829 1.00 71.23 H new ATOM 0 HA VAL A 20 8.529 -9.498 -6.188 1.00 54.42 H new ATOM 0 HB VAL A 20 7.340 -10.743 -4.128 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.088 -11.468 -2.539 1.00 23.14 H new ATOM 0 HG12 VAL A 20 9.015 -12.516 -3.975 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.311 -11.306 -3.822 1.00 23.14 H new ATOM 0 HG21 VAL A 20 8.470 -9.080 -2.692 1.00 35.51 H new ATOM 0 HG22 VAL A 20 9.658 -8.783 -3.983 1.00 35.51 H new ATOM 0 HG23 VAL A 20 7.944 -8.377 -4.240 1.00 35.51 H new ATOM 358 N ARG A 21 10.116 -12.367 -6.177 1.00 73.35 N ATOM 359 CA ARG A 21 11.375 -13.004 -6.524 1.00 12.33 C ATOM 360 C ARG A 21 12.022 -12.291 -7.713 1.00 3.32 C ATOM 361 O ARG A 21 13.240 -12.134 -7.758 1.00 20.04 O ATOM 362 CB ARG A 21 11.168 -14.480 -6.874 1.00 32.23 C ATOM 363 CG ARG A 21 12.509 -15.190 -7.069 1.00 24.21 C ATOM 364 CD ARG A 21 12.339 -16.462 -7.900 1.00 65.53 C ATOM 365 NE ARG A 21 13.658 -16.942 -8.369 1.00 31.50 N ATOM 366 CZ ARG A 21 13.829 -17.957 -9.243 1.00 64.23 C ATOM 367 NH1 ARG A 21 12.762 -18.610 -9.750 1.00 64.10 N ATOM 368 NH2 ARG A 21 15.055 -18.301 -9.592 1.00 2.31 N ATOM 0 H ARG A 21 9.375 -13.010 -5.900 1.00 73.35 H new ATOM 0 HA ARG A 21 12.030 -12.936 -5.656 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.605 -14.970 -6.080 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.573 -14.562 -7.784 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.211 -14.519 -7.564 1.00 24.21 H new ATOM 0 HG3 ARG A 21 12.937 -15.440 -6.098 1.00 24.21 H new ATOM 0 HD2 ARG A 21 11.854 -17.234 -7.303 1.00 65.53 H new ATOM 0 HD3 ARG A 21 11.691 -16.264 -8.754 1.00 65.53 H new ATOM 0 HE ARG A 21 14.491 -16.476 -8.009 1.00 31.50 H new ATOM 0 HH11 ARG A 21 11.819 -18.338 -9.473 1.00 64.10 H new ATOM 0 HH12 ARG A 21 12.899 -19.376 -10.410 1.00 64.10 H new ATOM 0 HH21 ARG A 21 15.855 -17.802 -9.203 1.00 2.31 H new ATOM 0 HH22 ARG A 21 15.202 -19.065 -10.251 1.00 2.31 H new ATOM 381 N LEU A 22 11.176 -11.878 -8.646 1.00 21.23 N ATOM 382 CA LEU A 22 11.650 -11.186 -9.832 1.00 44.20 C ATOM 383 C LEU A 22 12.210 -9.820 -9.429 1.00 44.01 C ATOM 384 O LEU A 22 13.382 -9.531 -9.668 1.00 64.33 O ATOM 385 CB LEU A 22 10.543 -11.110 -10.886 1.00 45.15 C ATOM 386 CG LEU A 22 10.082 -12.446 -11.471 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.658 -12.287 -12.933 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.159 -13.520 -11.301 1.00 33.03 C ATOM 0 H LEU A 22 10.165 -12.010 -8.604 1.00 21.23 H new ATOM 0 HA LEU A 22 12.464 -11.741 -10.298 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.680 -10.613 -10.443 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.890 -10.478 -11.704 1.00 45.15 H new ATOM 0 HG LEU A 22 9.205 -12.778 -10.915 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.335 -13.251 -13.325 1.00 14.41 H new ATOM 0 HD12 LEU A 22 8.835 -11.575 -12.998 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.501 -11.922 -13.519 1.00 14.41 H new ATOM 0 HD21 LEU A 22 10.806 -14.460 -11.725 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.068 -13.208 -11.816 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.371 -13.658 -10.241 1.00 33.03 H new ATOM 400 N ILE A 23 11.348 -9.017 -8.826 1.00 72.43 N ATOM 401 CA ILE A 23 11.741 -7.688 -8.388 1.00 73.03 C ATOM 402 C ILE A 23 12.980 -7.797 -7.495 1.00 50.41 C ATOM 403 O ILE A 23 13.737 -6.837 -7.359 1.00 52.54 O ATOM 404 CB ILE A 23 10.565 -6.972 -7.723 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.251 -5.655 -8.435 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.822 -6.768 -6.228 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.579 -5.909 -9.786 1.00 24.34 C ATOM 0 H ILE A 23 10.377 -9.261 -8.630 1.00 72.43 H new ATOM 0 HA ILE A 23 12.016 -7.071 -9.243 1.00 73.03 H new ATOM 0 HB ILE A 23 9.683 -7.606 -7.815 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.599 -5.046 -7.809 1.00 62.53 H new ATOM 0 HG13 ILE A 23 11.171 -5.089 -8.583 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.971 -6.257 -5.779 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.959 -7.736 -5.747 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.720 -6.165 -6.092 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.366 -4.956 -10.271 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.244 -6.498 -10.418 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.647 -6.454 -9.632 1.00 24.34 H new ATOM 419 N ARG A 24 13.148 -8.974 -6.911 1.00 12.34 N ATOM 420 CA ARG A 24 14.281 -9.220 -6.036 1.00 45.23 C ATOM 421 C ARG A 24 15.573 -9.304 -6.851 1.00 1.14 C ATOM 422 O ARG A 24 16.638 -8.912 -6.376 1.00 74.04 O ATOM 423 CB ARG A 24 14.097 -10.520 -5.250 1.00 34.14 C ATOM 424 CG ARG A 24 13.618 -10.235 -3.825 1.00 13.13 C ATOM 425 CD ARG A 24 14.713 -9.548 -3.006 1.00 0.34 C ATOM 426 NE ARG A 24 15.763 -10.526 -2.643 1.00 52.12 N ATOM 427 CZ ARG A 24 16.824 -10.242 -1.858 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.984 -9.003 -1.346 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.703 -11.192 -1.600 1.00 1.01 N ATOM 0 H ARG A 24 12.518 -9.768 -7.027 1.00 12.34 H new ATOM 0 HA ARG A 24 14.344 -8.389 -5.333 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.375 -11.158 -5.759 1.00 34.14 H new ATOM 0 HB3 ARG A 24 15.039 -11.067 -5.218 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.731 -9.603 -3.855 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.328 -11.168 -3.341 1.00 13.13 H new ATOM 0 HD2 ARG A 24 15.149 -8.730 -3.580 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.284 -9.111 -2.104 1.00 0.34 H new ATOM 0 HE ARG A 24 15.680 -11.474 -3.009 1.00 52.12 H new ATOM 0 HH11 ARG A 24 16.301 -8.274 -1.551 1.00 71.43 H new ATOM 0 HH12 ARG A 24 17.788 -8.796 -0.754 1.00 71.43 H new ATOM 0 HH21 ARG A 24 17.575 -12.125 -1.992 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.510 -10.993 -1.009 1.00 1.01 H new ATOM 442 N GLU A 25 15.437 -9.816 -8.065 1.00 75.54 N ATOM 443 CA GLU A 25 16.580 -9.956 -8.951 1.00 71.24 C ATOM 444 C GLU A 25 16.595 -8.826 -9.982 1.00 4.54 C ATOM 445 O GLU A 25 17.533 -8.710 -10.769 1.00 51.11 O ATOM 446 CB GLU A 25 16.579 -11.324 -9.637 1.00 21.24 C ATOM 447 CG GLU A 25 15.299 -11.527 -10.450 1.00 65.42 C ATOM 448 CD GLU A 25 15.496 -12.601 -11.523 1.00 43.43 C ATOM 449 OE1 GLU A 25 15.864 -13.740 -11.200 1.00 42.04 O ATOM 450 OE2 GLU A 25 15.254 -12.216 -12.731 1.00 50.21 O ATOM 0 H GLU A 25 14.552 -10.139 -8.456 1.00 75.54 H new ATOM 0 HA GLU A 25 17.488 -9.887 -8.352 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.447 -11.408 -10.291 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.667 -12.111 -8.888 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.484 -11.816 -9.786 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.009 -10.587 -10.920 1.00 65.42 H new ATOM 458 N GLN A 26 15.543 -8.021 -9.945 1.00 42.22 N ATOM 459 CA GLN A 26 15.423 -6.904 -10.866 1.00 1.04 C ATOM 460 C GLN A 26 15.656 -5.582 -10.132 1.00 74.23 C ATOM 461 O GLN A 26 16.574 -4.835 -10.467 1.00 72.32 O ATOM 462 CB GLN A 26 14.060 -6.912 -11.563 1.00 4.32 C ATOM 463 CG GLN A 26 13.919 -8.129 -12.478 1.00 11.50 C ATOM 464 CD GLN A 26 12.884 -7.872 -13.575 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.553 -6.744 -13.901 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.392 -8.980 -14.124 1.00 14.23 N ATOM 0 H GLN A 26 14.766 -8.120 -9.292 1.00 42.22 H new ATOM 0 HA GLN A 26 16.188 -7.009 -11.635 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.266 -6.920 -10.816 1.00 4.32 H new ATOM 0 HB3 GLN A 26 13.940 -5.999 -12.146 1.00 4.32 H new ATOM 0 HG2 GLN A 26 14.883 -8.363 -12.930 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.623 -8.998 -11.890 1.00 11.50 H new ATOM 0 HE21 GLN A 26 12.713 -9.894 -13.804 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.694 -8.915 -14.865 1.00 14.23 H new ATOM 475 N HIS A 27 14.809 -5.334 -9.143 1.00 51.23 N ATOM 476 CA HIS A 27 14.912 -4.116 -8.359 1.00 52.43 C ATOM 477 C HIS A 27 15.155 -4.470 -6.890 1.00 72.33 C ATOM 478 O HIS A 27 14.235 -4.424 -6.076 1.00 1.33 O ATOM 479 CB HIS A 27 13.677 -3.235 -8.559 1.00 21.24 C ATOM 480 CG HIS A 27 13.492 -2.751 -9.977 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.760 -1.450 -10.365 1.00 31.43 N ATOM 482 CD2 HIS A 27 13.064 -3.405 -11.095 1.00 21.41 C ATOM 483 CE1 HIS A 27 13.501 -1.337 -11.660 1.00 74.54 C ATOM 484 NE2 HIS A 27 13.069 -2.550 -12.110 1.00 22.24 N ATOM 0 H HIS A 27 14.049 -5.956 -8.867 1.00 51.23 H new ATOM 0 HA HIS A 27 15.765 -3.530 -8.702 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.791 -3.795 -8.258 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.748 -2.372 -7.897 1.00 21.24 H new ATOM 0 HD1 HIS A 27 14.099 -0.704 -9.757 1.00 31.43 H new ATOM 0 HD2 HIS A 27 12.771 -4.443 -11.146 1.00 21.41 H new ATOM 0 HE1 HIS A 27 13.612 -0.442 -12.254 1.00 74.54 H new ATOM 492 N PRO A 28 16.434 -4.825 -6.589 1.00 55.03 N ATOM 493 CA PRO A 28 16.810 -5.186 -5.233 1.00 41.14 C ATOM 494 C PRO A 28 16.907 -3.946 -4.341 1.00 41.12 C ATOM 495 O PRO A 28 16.749 -4.039 -3.125 1.00 74.04 O ATOM 496 CB PRO A 28 18.133 -5.921 -5.375 1.00 22.43 C ATOM 497 CG PRO A 28 18.677 -5.539 -6.742 1.00 40.31 C ATOM 498 CD PRO A 28 17.550 -4.889 -7.528 1.00 2.23 C ATOM 0 HA PRO A 28 16.068 -5.818 -4.745 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.826 -5.634 -4.584 1.00 22.43 H new ATOM 0 HB3 PRO A 28 17.991 -6.999 -5.298 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.517 -4.852 -6.640 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.048 -6.420 -7.265 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.832 -3.896 -7.877 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.293 -5.475 -8.410 1.00 2.23 H new ATOM 506 N THR A 29 17.166 -2.816 -4.980 1.00 63.23 N ATOM 507 CA THR A 29 17.285 -1.560 -4.261 1.00 35.40 C ATOM 508 C THR A 29 15.919 -0.880 -4.145 1.00 2.51 C ATOM 509 O THR A 29 15.840 0.329 -3.930 1.00 3.01 O ATOM 510 CB THR A 29 18.331 -0.702 -4.976 1.00 72.21 C ATOM 511 OG1 THR A 29 17.637 -0.174 -6.102 1.00 20.14 O ATOM 512 CG2 THR A 29 19.454 -1.541 -5.592 1.00 4.31 C ATOM 0 H THR A 29 17.297 -2.744 -5.989 1.00 63.23 H new ATOM 0 HA THR A 29 17.621 -1.722 -3.237 1.00 35.40 H new ATOM 0 HB THR A 29 18.755 0.014 -4.272 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.242 0.397 -6.621 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.169 -0.884 -6.087 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.960 -2.103 -4.807 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.033 -2.234 -6.321 1.00 4.31 H new ATOM 520 N LYS A 30 14.878 -1.686 -4.290 1.00 73.12 N ATOM 521 CA LYS A 30 13.520 -1.178 -4.204 1.00 13.34 C ATOM 522 C LYS A 30 12.697 -2.087 -3.289 1.00 74.25 C ATOM 523 O LYS A 30 13.035 -3.255 -3.102 1.00 52.32 O ATOM 524 CB LYS A 30 12.922 -1.007 -5.602 1.00 53.11 C ATOM 525 CG LYS A 30 13.831 -0.149 -6.485 1.00 74.24 C ATOM 526 CD LYS A 30 13.555 1.341 -6.271 1.00 31.34 C ATOM 527 CE LYS A 30 13.677 2.115 -7.586 1.00 62.14 C ATOM 528 NZ LYS A 30 12.961 3.406 -7.495 1.00 64.44 N ATOM 0 H LYS A 30 14.948 -2.688 -4.467 1.00 73.12 H new ATOM 0 HA LYS A 30 13.513 -0.184 -3.756 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.779 -1.985 -6.062 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.939 -0.543 -5.527 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.875 -0.366 -6.258 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.673 -0.405 -7.533 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.555 1.474 -5.858 1.00 31.34 H new ATOM 0 HD3 LYS A 30 14.257 1.744 -5.541 1.00 31.34 H new ATOM 0 HE2 LYS A 30 14.728 2.291 -7.815 1.00 62.14 H new ATOM 0 HE3 LYS A 30 13.267 1.522 -8.403 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 12.566 3.650 -8.426 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.190 3.327 -6.802 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 13.623 4.149 -7.193 1.00 64.44 H new ATOM 541 N ILE A 31 11.632 -1.518 -2.745 1.00 11.23 N ATOM 542 CA ILE A 31 10.757 -2.263 -1.855 1.00 34.53 C ATOM 543 C ILE A 31 9.443 -2.568 -2.577 1.00 61.33 C ATOM 544 O ILE A 31 8.747 -1.655 -3.019 1.00 14.43 O ATOM 545 CB ILE A 31 10.575 -1.514 -0.533 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.919 -1.290 0.161 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.575 -2.237 0.372 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.433 -2.586 0.791 1.00 43.44 C ATOM 0 H ILE A 31 11.355 -0.549 -2.903 1.00 11.23 H new ATOM 0 HA ILE A 31 11.206 -3.221 -1.592 1.00 34.53 H new ATOM 0 HB ILE A 31 10.160 -0.530 -0.752 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.647 -0.918 -0.560 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.812 -0.525 0.930 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.463 -1.685 1.305 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.610 -2.300 -0.130 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.939 -3.242 0.587 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.390 -2.399 1.278 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.714 -2.942 1.529 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.562 -3.341 0.016 1.00 43.44 H new ATOM 560 N PRO A 32 9.134 -3.889 -2.675 1.00 41.13 N ATOM 561 CA PRO A 32 7.915 -4.326 -3.334 1.00 31.23 C ATOM 562 C PRO A 32 6.692 -4.069 -2.452 1.00 60.01 C ATOM 563 O PRO A 32 6.754 -4.236 -1.234 1.00 33.01 O ATOM 564 CB PRO A 32 8.136 -5.800 -3.631 1.00 4.31 C ATOM 565 CG PRO A 32 9.267 -6.244 -2.719 1.00 32.45 C ATOM 566 CD PRO A 32 9.933 -4.997 -2.162 1.00 10.22 C ATOM 0 HA PRO A 32 7.712 -3.775 -4.252 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.231 -6.377 -3.440 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.396 -5.953 -4.678 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.883 -6.866 -1.910 1.00 32.45 H new ATOM 0 HG3 PRO A 32 9.988 -6.848 -3.271 1.00 32.45 H new ATOM 0 HD2 PRO A 32 9.943 -5.007 -1.072 1.00 10.22 H new ATOM 0 HD3 PRO A 32 10.970 -4.922 -2.489 1.00 10.22 H new ATOM 574 N VAL A 33 5.608 -3.669 -3.100 1.00 12.13 N ATOM 575 CA VAL A 33 4.372 -3.388 -2.389 1.00 24.23 C ATOM 576 C VAL A 33 3.183 -3.761 -3.277 1.00 4.32 C ATOM 577 O VAL A 33 3.331 -3.911 -4.488 1.00 1.31 O ATOM 578 CB VAL A 33 4.347 -1.926 -1.940 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.694 -1.512 -1.345 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.952 -1.005 -3.095 1.00 4.04 C ATOM 0 H VAL A 33 5.560 -3.533 -4.110 1.00 12.13 H new ATOM 0 HA VAL A 33 4.305 -3.993 -1.484 1.00 24.23 H new ATOM 0 HB VAL A 33 3.592 -1.828 -1.160 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.649 -0.468 -1.034 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.918 -2.139 -0.482 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.476 -1.634 -2.095 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.942 0.029 -2.749 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.673 -1.109 -3.906 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.960 -1.277 -3.454 1.00 4.04 H new ATOM 590 N ILE A 34 2.030 -3.901 -2.638 1.00 53.34 N ATOM 591 CA ILE A 34 0.816 -4.254 -3.355 1.00 0.30 C ATOM 592 C ILE A 34 -0.339 -3.387 -2.850 1.00 63.12 C ATOM 593 O ILE A 34 -0.963 -3.705 -1.838 1.00 30.23 O ATOM 594 CB ILE A 34 0.549 -5.756 -3.248 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.475 -6.546 -4.177 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.926 -6.071 -3.508 1.00 40.24 C ATOM 597 CD1 ILE A 34 0.856 -6.698 -5.567 1.00 42.24 C ATOM 0 H ILE A 34 1.911 -3.776 -1.633 1.00 53.34 H new ATOM 0 HA ILE A 34 0.928 -4.048 -4.420 1.00 0.30 H new ATOM 0 HB ILE A 34 0.771 -6.070 -2.228 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.436 -6.038 -4.256 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.669 -7.531 -3.752 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -1.089 -7.146 -3.426 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.543 -5.553 -2.774 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.198 -5.739 -4.510 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.534 -7.263 -6.207 1.00 42.24 H new ATOM 0 HD12 ILE A 34 -0.093 -7.228 -5.487 1.00 42.24 H new ATOM 0 HD13 ILE A 34 0.686 -5.712 -5.999 1.00 42.24 H new ATOM 609 N ILE A 35 -0.589 -2.307 -3.577 1.00 13.32 N ATOM 610 CA ILE A 35 -1.658 -1.393 -3.216 1.00 43.02 C ATOM 611 C ILE A 35 -2.923 -1.761 -3.994 1.00 62.52 C ATOM 612 O ILE A 35 -2.917 -1.778 -5.224 1.00 31.22 O ATOM 613 CB ILE A 35 -1.212 0.057 -3.417 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.143 0.312 -2.753 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.283 1.033 -2.925 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.893 1.445 -3.455 1.00 12.23 C ATOM 0 H ILE A 35 -0.069 -2.045 -4.414 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.897 -1.485 -2.157 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.084 0.229 -4.486 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.004 0.565 -1.703 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.743 -0.598 -2.781 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.941 2.056 -3.079 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.206 0.871 -3.482 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.466 0.868 -1.863 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.852 1.606 -2.963 1.00 12.23 H new ATOM 0 HD12 ILE A 35 1.060 1.179 -4.499 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.302 2.359 -3.404 1.00 12.23 H new ATOM 628 N GLU A 36 -3.978 -2.045 -3.244 1.00 14.05 N ATOM 629 CA GLU A 36 -5.247 -2.412 -3.847 1.00 10.15 C ATOM 630 C GLU A 36 -6.373 -1.538 -3.289 1.00 32.02 C ATOM 631 O GLU A 36 -6.150 -0.738 -2.382 1.00 33.43 O ATOM 632 CB GLU A 36 -5.548 -3.897 -3.634 1.00 14.40 C ATOM 633 CG GLU A 36 -4.561 -4.774 -4.407 1.00 64.41 C ATOM 634 CD GLU A 36 -5.097 -5.102 -5.802 1.00 73.35 C ATOM 635 OE1 GLU A 36 -5.635 -4.217 -6.484 1.00 11.42 O ATOM 636 OE2 GLU A 36 -4.936 -6.328 -6.172 1.00 2.44 O ATOM 0 H GLU A 36 -3.979 -2.028 -2.224 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.179 -2.240 -4.921 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -5.495 -4.134 -2.571 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.565 -4.116 -3.959 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -3.603 -4.261 -4.493 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -4.380 -5.697 -3.856 1.00 64.41 H new ATOM 644 N ARG A 37 -7.557 -1.721 -3.854 1.00 33.23 N ATOM 645 CA ARG A 37 -8.717 -0.960 -3.424 1.00 73.24 C ATOM 646 C ARG A 37 -9.375 -1.632 -2.218 1.00 64.52 C ATOM 647 O ARG A 37 -9.616 -2.839 -2.230 1.00 12.04 O ATOM 648 CB ARG A 37 -9.743 -0.834 -4.552 1.00 51.13 C ATOM 649 CG ARG A 37 -10.482 -2.156 -4.771 1.00 1.41 C ATOM 650 CD ARG A 37 -10.936 -2.296 -6.226 1.00 24.11 C ATOM 651 NE ARG A 37 -11.124 -3.724 -6.562 1.00 34.33 N ATOM 652 CZ ARG A 37 -10.112 -4.601 -6.739 1.00 70.24 C ATOM 653 NH1 ARG A 37 -8.829 -4.200 -6.614 1.00 72.20 N ATOM 654 NH2 ARG A 37 -10.395 -5.854 -7.038 1.00 44.03 N ATOM 0 H ARG A 37 -7.738 -2.386 -4.606 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.375 0.037 -3.147 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.459 -0.048 -4.311 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.242 -0.537 -5.473 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.830 -2.989 -4.508 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.347 -2.207 -4.110 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.868 -1.752 -6.379 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.195 -1.852 -6.891 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.078 -4.068 -6.667 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -8.618 -3.229 -6.384 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -8.070 -4.868 -6.749 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -11.367 -6.149 -7.133 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -9.642 -6.528 -7.175 1.00 44.03 H new ATOM 667 N TYR A 38 -9.650 -0.823 -1.206 1.00 2.33 N ATOM 668 CA TYR A 38 -10.276 -1.324 0.005 1.00 20.32 C ATOM 669 C TYR A 38 -11.567 -2.080 -0.318 1.00 54.11 C ATOM 670 O TYR A 38 -12.366 -1.630 -1.136 1.00 13.01 O ATOM 671 CB TYR A 38 -10.618 -0.091 0.845 1.00 12.43 C ATOM 672 CG TYR A 38 -11.638 -0.357 1.954 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.975 -0.501 1.642 1.00 42.23 C ATOM 674 CD2 TYR A 38 -11.222 -0.452 3.266 1.00 12.43 C ATOM 675 CE1 TYR A 38 -13.934 -0.751 2.686 1.00 42.11 C ATOM 676 CE2 TYR A 38 -12.182 -0.702 4.310 1.00 53.35 C ATOM 677 CZ TYR A 38 -13.491 -0.840 3.969 1.00 23.24 C ATOM 678 OH TYR A 38 -14.398 -1.075 4.954 1.00 23.44 O ATOM 0 H TYR A 38 -9.450 0.177 -1.200 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.609 -2.012 0.525 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.703 0.296 1.293 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -11.006 0.687 0.188 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.301 -0.426 0.615 1.00 42.23 H new ATOM 0 HD2 TYR A 38 -10.176 -0.339 3.510 1.00 12.43 H new ATOM 0 HE1 TYR A 38 -14.983 -0.865 2.456 1.00 42.11 H new ATOM 0 HE2 TYR A 38 -11.869 -0.778 5.341 1.00 53.35 H new ATOM 0 HH TYR A 38 -13.939 -1.115 5.819 1.00 23.44 H new ATOM 688 N LYS A 39 -11.731 -3.216 0.344 1.00 73.55 N ATOM 689 CA LYS A 39 -12.909 -4.039 0.138 1.00 43.43 C ATOM 690 C LYS A 39 -14.161 -3.216 0.450 1.00 21.11 C ATOM 691 O LYS A 39 -14.483 -2.987 1.616 1.00 3.42 O ATOM 692 CB LYS A 39 -12.807 -5.335 0.946 1.00 73.41 C ATOM 693 CG LYS A 39 -11.389 -5.906 0.890 1.00 61.13 C ATOM 694 CD LYS A 39 -10.681 -5.752 2.237 1.00 10.22 C ATOM 695 CE LYS A 39 -11.054 -6.893 3.186 1.00 52.01 C ATOM 696 NZ LYS A 39 -10.158 -6.901 4.364 1.00 32.44 N ATOM 0 H LYS A 39 -11.067 -3.585 1.024 1.00 73.55 H new ATOM 0 HA LYS A 39 -12.981 -4.347 -0.905 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.085 -5.144 1.982 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -13.514 -6.068 0.556 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.428 -6.960 0.615 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -10.818 -5.395 0.115 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -9.602 -5.739 2.085 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -10.951 -4.797 2.687 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -12.089 -6.781 3.510 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -10.985 -7.847 2.663 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -10.425 -7.681 4.998 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -9.175 -7.030 4.051 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -10.244 -5.998 4.872 1.00 32.44 H new ATOM 709 N GLY A 40 -14.834 -2.795 -0.611 1.00 74.45 N ATOM 710 CA GLY A 40 -16.043 -2.002 -0.464 1.00 3.24 C ATOM 711 C GLY A 40 -15.758 -0.519 -0.702 1.00 12.21 C ATOM 712 O GLY A 40 -16.528 0.341 -0.275 1.00 40.33 O ATOM 0 H GLY A 40 -14.565 -2.988 -1.576 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.798 -2.349 -1.170 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.454 -2.141 0.536 1.00 3.24 H new ATOM 716 N GLU A 41 -14.650 -0.263 -1.382 1.00 33.32 N ATOM 717 CA GLU A 41 -14.254 1.102 -1.682 1.00 32.55 C ATOM 718 C GLU A 41 -14.347 1.364 -3.186 1.00 20.11 C ATOM 719 O GLU A 41 -13.554 0.834 -3.963 1.00 31.05 O ATOM 720 CB GLU A 41 -12.845 1.392 -1.161 1.00 62.14 C ATOM 721 CG GLU A 41 -12.326 2.729 -1.696 1.00 52.41 C ATOM 722 CD GLU A 41 -11.818 2.584 -3.132 1.00 41.41 C ATOM 723 OE1 GLU A 41 -12.447 3.103 -4.067 1.00 62.12 O ATOM 724 OE2 GLU A 41 -10.728 1.907 -3.260 1.00 34.32 O ATOM 0 H GLU A 41 -14.014 -0.978 -1.734 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.940 1.778 -1.172 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.853 1.411 -0.071 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.170 0.590 -1.461 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -13.122 3.473 -1.661 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.522 3.093 -1.057 1.00 52.41 H new ATOM 732 N LYS A 42 -15.323 2.181 -3.553 1.00 64.40 N ATOM 733 CA LYS A 42 -15.530 2.520 -4.952 1.00 2.11 C ATOM 734 C LYS A 42 -15.172 3.990 -5.174 1.00 14.01 C ATOM 735 O LYS A 42 -14.881 4.399 -6.297 1.00 33.23 O ATOM 736 CB LYS A 42 -16.954 2.161 -5.384 1.00 13.31 C ATOM 737 CG LYS A 42 -17.945 3.245 -4.957 1.00 45.50 C ATOM 738 CD LYS A 42 -18.028 4.356 -6.005 1.00 43.25 C ATOM 739 CE LYS A 42 -19.181 4.107 -6.980 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.472 4.476 -6.361 1.00 23.20 N ATOM 0 H LYS A 42 -15.980 2.619 -2.907 1.00 64.40 H new ATOM 0 HA LYS A 42 -14.870 1.932 -5.589 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -16.989 2.037 -6.466 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.242 1.206 -4.944 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -18.931 2.804 -4.811 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.639 3.666 -3.999 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -18.167 5.317 -5.510 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.088 4.413 -6.555 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.028 4.688 -7.889 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.198 3.057 -7.272 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.238 3.927 -6.802 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -20.440 4.270 -5.342 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -20.648 5.491 -6.503 1.00 23.20 H new ATOM 753 N GLN A 43 -15.205 4.745 -4.086 1.00 63.45 N ATOM 754 CA GLN A 43 -14.887 6.162 -4.149 1.00 43.21 C ATOM 755 C GLN A 43 -13.636 6.388 -4.999 1.00 65.15 C ATOM 756 O GLN A 43 -13.732 6.784 -6.159 1.00 23.23 O ATOM 757 CB GLN A 43 -14.710 6.747 -2.746 1.00 65.43 C ATOM 758 CG GLN A 43 -16.009 6.651 -1.944 1.00 61.32 C ATOM 759 CD GLN A 43 -16.034 5.381 -1.090 1.00 0.41 C ATOM 760 OE1 GLN A 43 -16.957 4.585 -1.140 1.00 34.35 O ATOM 761 NE2 GLN A 43 -14.970 5.237 -0.304 1.00 61.50 N ATOM 0 H GLN A 43 -15.447 4.403 -3.156 1.00 63.45 H new ATOM 0 HA GLN A 43 -15.721 6.681 -4.621 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -13.916 6.214 -2.223 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.400 7.789 -2.819 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -16.110 7.527 -1.303 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.861 6.653 -2.624 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -14.232 5.941 -0.311 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -14.892 4.422 0.305 1.00 61.50 H new ATOM 770 N LEU A 44 -12.489 6.126 -4.389 1.00 70.13 N ATOM 771 CA LEU A 44 -11.219 6.296 -5.075 1.00 74.32 C ATOM 772 C LEU A 44 -11.236 5.489 -6.376 1.00 11.20 C ATOM 773 O LEU A 44 -11.877 4.442 -6.453 1.00 43.35 O ATOM 774 CB LEU A 44 -10.056 5.942 -4.147 1.00 23.41 C ATOM 775 CG LEU A 44 -9.832 6.885 -2.963 1.00 52.12 C ATOM 776 CD1 LEU A 44 -8.434 6.700 -2.370 1.00 50.33 C ATOM 777 CD2 LEU A 44 -10.097 8.339 -3.363 1.00 10.25 C ATOM 0 H LEU A 44 -12.413 5.797 -3.427 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.070 7.341 -5.348 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.220 4.937 -3.759 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.141 5.910 -4.739 1.00 23.41 H new ATOM 0 HG LEU A 44 -10.549 6.629 -2.183 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -8.302 7.382 -1.530 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -8.318 5.673 -2.024 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -7.684 6.913 -3.132 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.931 8.989 -2.504 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -9.421 8.624 -4.169 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -11.128 8.441 -3.701 1.00 10.25 H new ATOM 789 N PRO A 45 -10.504 6.021 -7.391 1.00 31.11 N ATOM 790 CA PRO A 45 -10.428 5.362 -8.684 1.00 72.02 C ATOM 791 C PRO A 45 -9.515 4.136 -8.622 1.00 4.31 C ATOM 792 O PRO A 45 -8.924 3.850 -7.582 1.00 31.03 O ATOM 793 CB PRO A 45 -9.925 6.430 -9.640 1.00 14.10 C ATOM 794 CG PRO A 45 -9.297 7.506 -8.771 1.00 24.31 C ATOM 795 CD PRO A 45 -9.733 7.259 -7.335 1.00 12.34 C ATOM 0 HA PRO A 45 -11.390 4.972 -9.015 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.196 6.017 -10.338 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.742 6.837 -10.236 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.210 7.475 -8.851 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.613 8.496 -9.101 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -8.874 7.161 -6.671 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.336 8.084 -6.956 1.00 12.34 H new ATOM 803 N VAL A 46 -9.430 3.443 -9.748 1.00 55.41 N ATOM 804 CA VAL A 46 -8.598 2.255 -9.834 1.00 62.40 C ATOM 805 C VAL A 46 -7.138 2.671 -10.020 1.00 24.11 C ATOM 806 O VAL A 46 -6.752 3.132 -11.093 1.00 23.43 O ATOM 807 CB VAL A 46 -9.106 1.342 -10.953 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.219 0.104 -11.094 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.565 0.947 -10.718 1.00 2.32 C ATOM 0 H VAL A 46 -9.924 3.681 -10.608 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.656 1.680 -8.910 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.056 1.899 -11.889 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.601 -0.528 -11.895 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.200 0.411 -11.329 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.223 -0.455 -10.158 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -10.901 0.299 -11.527 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.650 0.417 -9.769 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.185 1.843 -10.690 1.00 2.32 H new ATOM 819 N LEU A 47 -6.366 2.495 -8.957 1.00 70.21 N ATOM 820 CA LEU A 47 -4.957 2.847 -8.989 1.00 52.54 C ATOM 821 C LEU A 47 -4.364 2.439 -10.339 1.00 0.41 C ATOM 822 O LEU A 47 -4.765 1.431 -10.918 1.00 44.05 O ATOM 823 CB LEU A 47 -4.226 2.240 -7.789 1.00 21.34 C ATOM 824 CG LEU A 47 -3.246 3.165 -7.064 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.272 3.812 -8.050 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.991 4.206 -6.227 1.00 2.31 C ATOM 0 H LEU A 47 -6.690 2.113 -8.068 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.832 3.926 -8.898 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.970 1.897 -7.071 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.681 1.359 -8.128 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.654 2.563 -6.375 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.587 4.464 -7.509 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.705 3.036 -8.564 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.830 4.398 -8.781 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.271 4.850 -5.722 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.625 4.809 -6.877 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.609 3.701 -5.484 1.00 2.31 H new ATOM 838 N ASP A 48 -3.420 3.245 -10.802 1.00 34.23 N ATOM 839 CA ASP A 48 -2.769 2.982 -12.074 1.00 65.12 C ATOM 840 C ASP A 48 -2.421 1.495 -12.165 1.00 61.25 C ATOM 841 O ASP A 48 -2.530 0.893 -13.232 1.00 1.55 O ATOM 842 CB ASP A 48 -1.470 3.781 -12.204 1.00 32.20 C ATOM 843 CG ASP A 48 -1.653 5.262 -12.541 1.00 54.14 C ATOM 844 OD1 ASP A 48 -0.883 6.119 -12.084 1.00 11.32 O ATOM 845 OD2 ASP A 48 -2.648 5.525 -13.317 1.00 33.14 O ATOM 0 H ASP A 48 -3.090 4.081 -10.319 1.00 34.23 H new ATOM 0 HA ASP A 48 -3.453 3.275 -12.870 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -0.918 3.702 -11.268 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -0.854 3.321 -12.977 1.00 32.20 H new ATOM 851 N LYS A 49 -2.008 0.945 -11.032 1.00 34.30 N ATOM 852 CA LYS A 49 -1.643 -0.459 -10.970 1.00 13.11 C ATOM 853 C LYS A 49 -1.657 -0.922 -9.511 1.00 55.44 C ATOM 854 O LYS A 49 -2.125 -0.200 -8.632 1.00 64.03 O ATOM 855 CB LYS A 49 -0.308 -0.698 -11.679 1.00 53.23 C ATOM 856 CG LYS A 49 0.832 0.026 -10.959 1.00 52.12 C ATOM 857 CD LYS A 49 1.029 1.435 -11.522 1.00 15.23 C ATOM 858 CE LYS A 49 1.720 1.388 -12.886 1.00 51.44 C ATOM 859 NZ LYS A 49 0.717 1.284 -13.971 1.00 4.25 N ATOM 0 H LYS A 49 -1.918 1.448 -10.149 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.374 -1.066 -11.504 1.00 13.11 H new ATOM 0 HB2 LYS A 49 -0.098 -1.767 -11.717 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.372 -0.349 -12.710 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.615 0.084 -9.892 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.755 -0.544 -11.066 1.00 52.12 H new ATOM 0 HD2 LYS A 49 0.063 1.931 -11.616 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.625 2.028 -10.828 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.324 2.285 -13.026 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.399 0.536 -12.927 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 0.802 0.357 -14.435 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 -0.238 1.385 -13.572 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.882 2.037 -14.670 1.00 4.25 H new ATOM 872 N THR A 50 -1.138 -2.122 -9.300 1.00 62.40 N ATOM 873 CA THR A 50 -1.084 -2.690 -7.964 1.00 12.42 C ATOM 874 C THR A 50 0.368 -2.864 -7.516 1.00 13.32 C ATOM 875 O THR A 50 0.675 -2.741 -6.331 1.00 13.53 O ATOM 876 CB THR A 50 -1.878 -3.998 -7.973 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.021 -3.703 -8.772 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.462 -4.338 -6.600 1.00 4.14 C ATOM 0 H THR A 50 -0.751 -2.717 -10.032 1.00 62.40 H new ATOM 0 HA THR A 50 -1.539 -2.022 -7.232 1.00 12.42 H new ATOM 0 HB THR A 50 -1.234 -4.812 -8.305 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.591 -4.498 -8.833 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.016 -5.275 -6.662 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.654 -4.441 -5.876 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.133 -3.540 -6.283 1.00 4.14 H new ATOM 886 N LYS A 51 1.224 -3.146 -8.487 1.00 63.11 N ATOM 887 CA LYS A 51 2.636 -3.337 -8.208 1.00 2.24 C ATOM 888 C LYS A 51 3.370 -2.006 -8.376 1.00 2.53 C ATOM 889 O LYS A 51 3.216 -1.332 -9.393 1.00 22.21 O ATOM 890 CB LYS A 51 3.205 -4.466 -9.072 1.00 62.34 C ATOM 891 CG LYS A 51 2.420 -5.763 -8.865 1.00 12.21 C ATOM 892 CD LYS A 51 3.324 -6.985 -9.037 1.00 14.34 C ATOM 893 CE LYS A 51 3.284 -7.497 -10.478 1.00 70.11 C ATOM 894 NZ LYS A 51 1.946 -8.044 -10.797 1.00 74.50 N ATOM 0 H LYS A 51 0.966 -3.247 -9.469 1.00 63.11 H new ATOM 0 HA LYS A 51 2.780 -3.653 -7.175 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.169 -4.178 -10.123 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.254 -4.627 -8.822 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.979 -5.770 -7.868 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.597 -5.812 -9.578 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.348 -6.725 -8.768 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.006 -7.776 -8.357 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.525 -6.686 -11.165 1.00 70.11 H new ATOM 0 HE3 LYS A 51 4.041 -8.268 -10.617 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 2.038 -8.789 -11.516 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.520 -8.444 -9.937 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.338 -7.283 -11.163 1.00 74.50 H new ATOM 907 N PHE A 52 4.154 -1.667 -7.363 1.00 55.52 N ATOM 908 CA PHE A 52 4.912 -0.428 -7.385 1.00 12.53 C ATOM 909 C PHE A 52 6.306 -0.627 -6.785 1.00 23.41 C ATOM 910 O PHE A 52 6.453 -1.275 -5.750 1.00 20.35 O ATOM 911 CB PHE A 52 4.143 0.583 -6.534 1.00 64.54 C ATOM 912 CG PHE A 52 2.751 0.918 -7.072 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.733 0.026 -6.928 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.530 2.107 -7.695 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.441 0.337 -7.427 1.00 5.33 C ATOM 916 CE2 PHE A 52 1.237 2.417 -8.195 1.00 50.35 C ATOM 917 CZ PHE A 52 0.220 1.525 -8.050 1.00 13.42 C ATOM 0 H PHE A 52 4.281 -2.229 -6.521 1.00 55.52 H new ATOM 0 HA PHE A 52 5.034 -0.085 -8.412 1.00 12.53 H new ATOM 0 HB2 PHE A 52 4.045 0.191 -5.522 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.725 1.502 -6.465 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.908 -0.918 -6.434 1.00 50.44 H new ATOM 0 HD2 PHE A 52 3.337 2.815 -7.809 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.367 -0.370 -7.312 1.00 5.33 H new ATOM 0 HE2 PHE A 52 1.061 3.361 -8.690 1.00 50.35 H new ATOM 0 HZ PHE A 52 -0.763 1.761 -8.430 1.00 13.42 H new ATOM 927 N LEU A 53 7.293 -0.057 -7.461 1.00 0.05 N ATOM 928 CA LEU A 53 8.670 -0.164 -7.007 1.00 15.10 C ATOM 929 C LEU A 53 9.064 1.124 -6.282 1.00 53.33 C ATOM 930 O LEU A 53 9.332 2.142 -6.920 1.00 23.21 O ATOM 931 CB LEU A 53 9.592 -0.522 -8.173 1.00 22.22 C ATOM 932 CG LEU A 53 9.292 -1.842 -8.886 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.553 -2.409 -9.542 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.642 -2.844 -7.931 1.00 70.04 C ATOM 0 H LEU A 53 7.167 0.480 -8.319 1.00 0.05 H new ATOM 0 HA LEU A 53 8.773 -0.978 -6.289 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.546 0.283 -8.907 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.616 -0.557 -7.802 1.00 22.22 H new ATOM 0 HG LEU A 53 8.575 -1.646 -9.683 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.313 -3.347 -10.042 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.935 -1.696 -10.273 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.311 -2.588 -8.779 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.439 -3.774 -8.462 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.316 -3.042 -7.098 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.707 -2.431 -7.552 1.00 70.04 H new ATOM 946 N VAL A 54 9.088 1.039 -4.960 1.00 12.25 N ATOM 947 CA VAL A 54 9.446 2.185 -4.143 1.00 54.11 C ATOM 948 C VAL A 54 10.942 2.136 -3.829 1.00 53.14 C ATOM 949 O VAL A 54 11.504 1.059 -3.631 1.00 2.34 O ATOM 950 CB VAL A 54 8.573 2.226 -2.886 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.465 0.839 -2.249 1.00 52.41 C ATOM 952 CG2 VAL A 54 9.104 3.251 -1.882 1.00 33.12 C ATOM 0 H VAL A 54 8.865 0.194 -4.435 1.00 12.25 H new ATOM 0 HA VAL A 54 9.258 3.112 -4.684 1.00 54.11 H new ATOM 0 HB VAL A 54 7.572 2.537 -3.183 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.840 0.896 -1.358 1.00 52.41 H new ATOM 0 HG12 VAL A 54 8.019 0.145 -2.962 1.00 52.41 H new ATOM 0 HG13 VAL A 54 9.459 0.487 -1.973 1.00 52.41 H new ATOM 0 HG21 VAL A 54 8.465 3.260 -0.999 1.00 33.12 H new ATOM 0 HG22 VAL A 54 10.120 2.984 -1.592 1.00 33.12 H new ATOM 0 HG23 VAL A 54 9.105 4.241 -2.339 1.00 33.12 H new ATOM 962 N PRO A 55 11.563 3.346 -3.792 1.00 45.33 N ATOM 963 CA PRO A 55 12.983 3.450 -3.506 1.00 0.21 C ATOM 964 C PRO A 55 13.261 3.224 -2.018 1.00 50.22 C ATOM 965 O PRO A 55 12.661 3.874 -1.164 1.00 54.10 O ATOM 966 CB PRO A 55 13.379 4.839 -3.979 1.00 72.21 C ATOM 967 CG PRO A 55 12.084 5.628 -4.083 1.00 64.33 C ATOM 968 CD PRO A 55 10.930 4.642 -4.021 1.00 22.13 C ATOM 0 HA PRO A 55 13.571 2.687 -4.016 1.00 0.21 H new ATOM 0 HB2 PRO A 55 14.068 5.309 -3.277 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.887 4.794 -4.942 1.00 72.21 H new ATOM 0 HG2 PRO A 55 12.012 6.351 -3.271 1.00 64.33 H new ATOM 0 HG3 PRO A 55 12.055 6.192 -5.015 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.238 4.892 -3.217 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.356 4.645 -4.948 1.00 22.13 H new ATOM 976 N ASP A 56 14.172 2.298 -1.753 1.00 15.23 N ATOM 977 CA ASP A 56 14.536 1.978 -0.384 1.00 24.22 C ATOM 978 C ASP A 56 15.558 3.000 0.120 1.00 33.22 C ATOM 979 O ASP A 56 16.626 2.630 0.604 1.00 24.04 O ATOM 980 CB ASP A 56 15.174 0.591 -0.294 1.00 14.44 C ATOM 981 CG ASP A 56 16.589 0.489 -0.868 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.411 -0.313 -0.402 1.00 73.21 O ATOM 983 OD2 ASP A 56 16.838 1.291 -1.847 1.00 53.21 O ATOM 0 H ASP A 56 14.668 1.760 -2.463 1.00 15.23 H new ATOM 0 HA ASP A 56 13.628 1.999 0.219 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.200 0.287 0.753 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.535 -0.121 -0.816 1.00 14.44 H new ATOM 989 N HIS A 57 15.192 4.267 -0.011 1.00 42.54 N ATOM 990 CA HIS A 57 16.064 5.346 0.425 1.00 33.12 C ATOM 991 C HIS A 57 15.224 6.581 0.755 1.00 34.15 C ATOM 992 O HIS A 57 15.700 7.710 0.639 1.00 74.42 O ATOM 993 CB HIS A 57 17.146 5.626 -0.619 1.00 42.14 C ATOM 994 CG HIS A 57 16.743 6.639 -1.664 1.00 61.13 C ATOM 995 ND1 HIS A 57 16.191 6.281 -2.882 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.816 8.001 -1.661 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.948 7.385 -3.572 1.00 52.24 C ATOM 998 NE2 HIS A 57 16.338 8.450 -2.814 1.00 2.34 N ATOM 0 H HIS A 57 14.305 4.571 -0.412 1.00 42.54 H new ATOM 0 HA HIS A 57 16.588 5.051 1.334 1.00 33.12 H new ATOM 0 HB2 HIS A 57 18.043 5.980 -0.111 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.408 4.692 -1.115 1.00 42.14 H new ATOM 0 HD2 HIS A 57 17.198 8.611 -0.856 1.00 44.01 H new ATOM 0 HE1 HIS A 57 15.517 7.434 -4.561 1.00 52.24 H new ATOM 0 HE2 HIS A 57 16.273 9.430 -3.089 1.00 2.34 H new ATOM 1006 N VAL A 58 13.988 6.327 1.160 1.00 51.30 N ATOM 1007 CA VAL A 58 13.078 7.405 1.509 1.00 21.42 C ATOM 1008 C VAL A 58 12.197 6.964 2.679 1.00 52.34 C ATOM 1009 O VAL A 58 12.505 5.987 3.359 1.00 3.12 O ATOM 1010 CB VAL A 58 12.270 7.825 0.279 1.00 42.54 C ATOM 1011 CG1 VAL A 58 13.195 8.269 -0.857 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.341 6.699 -0.179 1.00 52.14 C ATOM 0 H VAL A 58 13.595 5.390 1.254 1.00 51.30 H new ATOM 0 HA VAL A 58 13.634 8.284 1.834 1.00 21.42 H new ATOM 0 HB VAL A 58 11.650 8.676 0.560 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.597 8.562 -1.720 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.796 9.116 -0.527 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.852 7.445 -1.135 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.779 7.024 -1.054 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.933 5.820 -0.434 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.648 6.449 0.625 1.00 52.14 H new ATOM 1022 N ASN A 59 11.118 7.707 2.878 1.00 3.10 N ATOM 1023 CA ASN A 59 10.190 7.405 3.955 1.00 53.34 C ATOM 1024 C ASN A 59 8.851 6.968 3.361 1.00 32.55 C ATOM 1025 O ASN A 59 8.467 7.422 2.285 1.00 53.32 O ATOM 1026 CB ASN A 59 9.940 8.637 4.828 1.00 31.55 C ATOM 1027 CG ASN A 59 10.353 9.917 4.100 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.381 10.467 3.378 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.480 10.377 4.188 1.00 14.31 N flip ATOM 0 H ASN A 59 10.866 8.517 2.312 1.00 3.10 H new ATOM 0 HA ASN A 59 10.626 6.613 4.564 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.884 8.690 5.094 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.500 8.547 5.759 1.00 31.55 H new ATOM 0 HD21 ASN A 59 12.180 9.905 4.760 1.00 14.31 H new ATOM 0 HD22 ASN A 59 11.722 11.234 3.690 1.00 14.31 H new ATOM 1036 N MET A 60 8.176 6.088 4.087 1.00 53.42 N ATOM 1037 CA MET A 60 6.887 5.584 3.646 1.00 63.50 C ATOM 1038 C MET A 60 5.980 6.726 3.184 1.00 72.03 C ATOM 1039 O MET A 60 5.057 6.514 2.399 1.00 33.53 O ATOM 1040 CB MET A 60 6.214 4.828 4.792 1.00 54.13 C ATOM 1041 CG MET A 60 5.423 5.784 5.689 1.00 71.53 C ATOM 1042 SD MET A 60 3.774 6.004 5.043 1.00 50.24 S ATOM 1043 CE MET A 60 3.254 4.300 4.932 1.00 24.12 C ATOM 0 H MET A 60 8.498 5.711 4.978 1.00 53.42 H new ATOM 0 HA MET A 60 7.050 4.912 2.803 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.547 4.067 4.388 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.969 4.309 5.383 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.375 5.388 6.703 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.931 6.746 5.746 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.180 4.235 5.106 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.485 3.913 3.939 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.780 3.710 5.683 1.00 24.12 H new ATOM 1053 N SER A 61 6.273 7.915 3.693 1.00 31.15 N ATOM 1054 CA SER A 61 5.494 9.091 3.344 1.00 60.52 C ATOM 1055 C SER A 61 5.542 9.320 1.832 1.00 5.42 C ATOM 1056 O SER A 61 4.502 9.434 1.184 1.00 42.35 O ATOM 1057 CB SER A 61 6.005 10.328 4.084 1.00 24.14 C ATOM 1058 OG SER A 61 6.169 11.443 3.211 1.00 33.42 O ATOM 0 H SER A 61 7.039 8.088 4.344 1.00 31.15 H new ATOM 0 HA SER A 61 4.461 8.920 3.647 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.306 10.589 4.879 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.958 10.097 4.561 1.00 24.14 H new ATOM 0 HG SER A 61 6.495 12.213 3.722 1.00 33.42 H new ATOM 1064 N GLU A 62 6.760 9.380 1.313 1.00 43.34 N ATOM 1065 CA GLU A 62 6.957 9.594 -0.111 1.00 62.30 C ATOM 1066 C GLU A 62 5.962 8.755 -0.916 1.00 2.22 C ATOM 1067 O GLU A 62 5.262 9.278 -1.782 1.00 1.22 O ATOM 1068 CB GLU A 62 8.397 9.276 -0.518 1.00 23.32 C ATOM 1069 CG GLU A 62 9.278 10.524 -0.436 1.00 33.21 C ATOM 1070 CD GLU A 62 8.707 11.655 -1.293 1.00 21.13 C ATOM 1071 OE1 GLU A 62 8.047 11.391 -2.309 1.00 65.32 O ATOM 1072 OE2 GLU A 62 8.970 12.846 -0.871 1.00 22.24 O ATOM 0 H GLU A 62 7.620 9.284 1.853 1.00 43.34 H new ATOM 0 HA GLU A 62 6.776 10.646 -0.330 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.799 8.499 0.132 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.413 8.881 -1.534 1.00 23.32 H new ATOM 0 HG2 GLU A 62 9.355 10.852 0.601 1.00 33.21 H new ATOM 0 HG3 GLU A 62 10.287 10.284 -0.770 1.00 33.21 H new ATOM 1080 N LEU A 63 5.929 7.469 -0.601 1.00 75.35 N ATOM 1081 CA LEU A 63 5.032 6.553 -1.285 1.00 71.31 C ATOM 1082 C LEU A 63 3.652 7.201 -1.414 1.00 34.30 C ATOM 1083 O LEU A 63 3.043 7.166 -2.482 1.00 74.31 O ATOM 1084 CB LEU A 63 5.011 5.196 -0.577 1.00 53.52 C ATOM 1085 CG LEU A 63 4.543 4.008 -1.421 1.00 3.21 C ATOM 1086 CD1 LEU A 63 4.414 2.746 -0.566 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.244 4.337 -2.158 1.00 23.34 C ATOM 0 H LEU A 63 6.509 7.039 0.119 1.00 75.35 H new ATOM 0 HA LEU A 63 5.387 6.354 -2.296 1.00 71.31 H new ATOM 0 HB2 LEU A 63 6.016 4.983 -0.211 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.363 5.274 0.296 1.00 53.52 H new ATOM 0 HG LEU A 63 5.300 3.807 -2.179 1.00 3.21 H new ATOM 0 HD11 LEU A 63 4.080 1.917 -1.190 1.00 21.14 H new ATOM 0 HD12 LEU A 63 5.382 2.503 -0.127 1.00 21.14 H new ATOM 0 HD13 LEU A 63 3.688 2.918 0.229 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.934 3.476 -2.750 1.00 23.34 H new ATOM 0 HD22 LEU A 63 2.466 4.579 -1.434 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.405 5.191 -2.816 1.00 23.34 H new ATOM 1099 N ILE A 64 3.198 7.777 -0.311 1.00 23.04 N ATOM 1100 CA ILE A 64 1.901 8.432 -0.287 1.00 61.52 C ATOM 1101 C ILE A 64 1.880 9.548 -1.333 1.00 62.30 C ATOM 1102 O ILE A 64 0.877 9.742 -2.019 1.00 14.00 O ATOM 1103 CB ILE A 64 1.567 8.907 1.128 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.920 7.839 2.164 1.00 50.20 C ATOM 1105 CG2 ILE A 64 0.103 9.342 1.229 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.447 6.456 1.709 1.00 54.44 C ATOM 0 H ILE A 64 3.705 7.804 0.573 1.00 23.04 H new ATOM 0 HA ILE A 64 1.113 7.729 -0.555 1.00 61.52 H new ATOM 0 HB ILE A 64 2.179 9.782 1.347 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.998 7.824 2.324 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.460 8.088 3.120 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.108 9.675 2.245 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.082 10.160 0.533 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.544 8.501 0.981 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.710 5.715 2.464 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.365 6.468 1.574 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.928 6.199 0.765 1.00 54.44 H new ATOM 1118 N LYS A 65 2.997 10.254 -1.422 1.00 65.21 N ATOM 1119 CA LYS A 65 3.119 11.346 -2.372 1.00 4.50 C ATOM 1120 C LYS A 65 3.166 10.778 -3.792 1.00 41.42 C ATOM 1121 O LYS A 65 2.833 11.471 -4.753 1.00 64.31 O ATOM 1122 CB LYS A 65 4.318 12.230 -2.022 1.00 50.41 C ATOM 1123 CG LYS A 65 4.160 12.843 -0.629 1.00 31.50 C ATOM 1124 CD LYS A 65 5.482 13.436 -0.137 1.00 14.42 C ATOM 1125 CE LYS A 65 6.224 14.140 -1.275 1.00 43.24 C ATOM 1126 NZ LYS A 65 5.444 15.299 -1.762 1.00 21.21 N ATOM 0 H LYS A 65 3.826 10.091 -0.851 1.00 65.21 H new ATOM 0 HA LYS A 65 2.247 11.997 -2.318 1.00 4.50 H new ATOM 0 HB2 LYS A 65 5.233 11.640 -2.062 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.418 13.023 -2.763 1.00 50.41 H new ATOM 0 HG2 LYS A 65 3.396 13.620 -0.654 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.817 12.081 0.071 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.290 14.144 0.669 1.00 14.42 H new ATOM 0 HD3 LYS A 65 6.108 12.645 0.276 1.00 14.42 H new ATOM 0 HE2 LYS A 65 7.203 14.472 -0.928 1.00 43.24 H new ATOM 0 HE3 LYS A 65 6.396 13.440 -2.093 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 5.451 15.310 -2.802 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 4.464 15.225 -1.423 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 5.868 16.178 -1.404 1.00 21.21 H new ATOM 1139 N ILE A 66 3.583 9.524 -3.879 1.00 54.04 N ATOM 1140 CA ILE A 66 3.678 8.855 -5.165 1.00 32.11 C ATOM 1141 C ILE A 66 2.303 8.314 -5.557 1.00 63.23 C ATOM 1142 O ILE A 66 1.953 8.292 -6.737 1.00 3.21 O ATOM 1143 CB ILE A 66 4.774 7.787 -5.134 1.00 32.41 C ATOM 1144 CG1 ILE A 66 6.116 8.390 -4.718 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.865 7.055 -6.474 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.720 9.220 -5.853 1.00 42.45 C ATOM 0 H ILE A 66 3.859 8.953 -3.080 1.00 54.04 H new ATOM 0 HA ILE A 66 3.975 9.561 -5.940 1.00 32.11 H new ATOM 0 HB ILE A 66 4.507 7.046 -4.380 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.979 9.017 -3.837 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.806 7.593 -4.438 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.651 6.302 -6.424 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.912 6.571 -6.690 1.00 33.32 H new ATOM 0 HG23 ILE A 66 5.096 7.770 -7.264 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.674 9.637 -5.531 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.878 8.584 -6.724 1.00 42.45 H new ATOM 0 HD13 ILE A 66 6.039 10.030 -6.114 1.00 42.45 H new ATOM 1158 N ILE A 67 1.558 7.891 -4.546 1.00 34.24 N ATOM 1159 CA ILE A 67 0.228 7.353 -4.770 1.00 32.34 C ATOM 1160 C ILE A 67 -0.721 8.490 -5.152 1.00 73.40 C ATOM 1161 O ILE A 67 -1.175 8.567 -6.293 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.236 6.547 -3.555 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.683 5.348 -3.309 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.700 6.127 -3.701 1.00 30.32 C ATOM 1165 CD1 ILE A 67 0.342 4.194 -4.254 1.00 74.11 C ATOM 0 H ILE A 67 1.851 7.910 -3.569 1.00 34.24 H new ATOM 0 HA ILE A 67 0.237 6.652 -5.604 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.172 7.188 -2.676 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.722 5.646 -3.453 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.586 5.017 -2.275 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.004 5.556 -2.824 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.326 7.015 -3.791 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -1.815 5.511 -4.593 1.00 30.32 H new ATOM 0 HD11 ILE A 67 1.009 3.355 -4.059 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -0.690 3.883 -4.091 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.463 4.521 -5.287 1.00 74.11 H new ATOM 1177 N ARG A 68 -0.993 9.344 -4.177 1.00 44.40 N ATOM 1178 CA ARG A 68 -1.879 10.474 -4.396 1.00 13.42 C ATOM 1179 C ARG A 68 -1.531 11.173 -5.712 1.00 51.22 C ATOM 1180 O ARG A 68 -2.415 11.682 -6.402 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.783 11.481 -3.249 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.429 12.194 -3.258 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.028 12.627 -1.847 1.00 24.23 C ATOM 1184 NE ARG A 68 -1.207 13.161 -1.128 1.00 63.13 N ATOM 1185 CZ ARG A 68 -1.184 13.581 0.156 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -0.042 13.530 0.873 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -2.296 14.040 0.698 1.00 64.55 N ATOM 0 H ARG A 68 -0.615 9.276 -3.232 1.00 44.40 H new ATOM 0 HA ARG A 68 -2.899 10.092 -4.442 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.585 12.214 -3.336 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.922 10.968 -2.297 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.332 11.531 -3.669 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.478 13.066 -3.910 1.00 12.22 H new ATOM 0 HD2 ARG A 68 0.388 11.780 -1.302 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.752 13.387 -1.898 1.00 24.23 H new ATOM 0 HE ARG A 68 -2.091 13.215 -1.633 1.00 63.13 H new ATOM 0 HH11 ARG A 68 0.813 13.172 0.446 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -0.033 13.849 1.842 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -3.155 14.074 0.149 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -2.297 14.361 1.666 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.243 11.179 -6.019 1.00 52.40 N ATOM 1201 CA ARG A 69 0.233 11.809 -7.240 1.00 45.24 C ATOM 1202 C ARG A 69 -0.366 11.113 -8.464 1.00 0.14 C ATOM 1203 O ARG A 69 -0.732 11.769 -9.438 1.00 4.20 O ATOM 1204 CB ARG A 69 1.759 11.756 -7.328 1.00 70.32 C ATOM 1205 CG ARG A 69 2.386 13.031 -6.758 1.00 44.21 C ATOM 1206 CD ARG A 69 1.550 13.582 -5.601 1.00 0.22 C ATOM 1207 NE ARG A 69 2.405 14.384 -4.696 1.00 10.40 N ATOM 1208 CZ ARG A 69 1.949 15.386 -3.916 1.00 73.23 C ATOM 1209 NH1 ARG A 69 0.640 15.719 -3.922 1.00 43.44 N ATOM 1210 NH2 ARG A 69 2.801 16.036 -3.146 1.00 11.44 N ATOM 0 H ARG A 69 0.487 10.758 -5.444 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.082 12.852 -7.220 1.00 45.24 H new ATOM 0 HB2 ARG A 69 2.128 10.889 -6.781 1.00 70.32 H new ATOM 0 HB3 ARG A 69 2.063 11.630 -8.367 1.00 70.32 H new ATOM 0 HG2 ARG A 69 3.398 12.820 -6.412 1.00 44.21 H new ATOM 0 HG3 ARG A 69 2.468 13.783 -7.543 1.00 44.21 H new ATOM 0 HD2 ARG A 69 0.739 14.198 -5.989 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.092 12.761 -5.049 1.00 0.22 H new ATOM 0 HE ARG A 69 3.401 14.165 -4.660 1.00 10.40 H new ATOM 0 HH11 ARG A 69 -0.013 15.212 -4.519 1.00 43.44 H new ATOM 0 HH12 ARG A 69 0.304 16.478 -3.329 1.00 43.44 H new ATOM 0 HH21 ARG A 69 3.788 15.778 -3.147 1.00 11.44 H new ATOM 0 HH22 ARG A 69 2.473 16.796 -2.550 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.446 9.793 -8.375 1.00 44.14 N ATOM 1224 CA ARG A 70 -0.994 9.002 -9.463 1.00 12.55 C ATOM 1225 C ARG A 70 -2.499 9.241 -9.588 1.00 23.22 C ATOM 1226 O ARG A 70 -2.997 9.538 -10.673 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.738 7.510 -9.242 1.00 25.13 C ATOM 1228 CG ARG A 70 0.724 7.156 -9.523 1.00 50.40 C ATOM 1229 CD ARG A 70 1.190 6.002 -8.632 1.00 24.25 C ATOM 1230 NE ARG A 70 2.416 5.393 -9.193 1.00 54.32 N ATOM 1231 CZ ARG A 70 2.463 4.735 -10.371 1.00 71.15 C ATOM 1232 NH1 ARG A 70 1.351 4.595 -11.123 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.615 4.230 -10.776 1.00 40.12 N ATOM 0 H ARG A 70 -0.140 9.252 -7.566 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.496 9.313 -10.382 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -0.990 7.242 -8.216 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.389 6.926 -9.893 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.840 6.881 -10.571 1.00 50.40 H new ATOM 0 HG3 ARG A 70 1.353 8.030 -9.351 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.384 6.366 -7.623 1.00 24.25 H new ATOM 0 HD3 ARG A 70 0.404 5.251 -8.554 1.00 24.25 H new ATOM 0 HE ARG A 70 3.280 5.475 -8.656 1.00 54.32 H new ATOM 0 HH11 ARG A 70 0.466 4.988 -10.803 1.00 51.00 H new ATOM 0 HH12 ARG A 70 1.396 4.096 -12.012 1.00 51.00 H new ATOM 0 HH21 ARG A 70 4.450 4.340 -10.201 1.00 40.12 H new ATOM 0 HH22 ARG A 70 3.669 3.730 -11.663 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.183 9.103 -8.462 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.623 9.300 -8.432 1.00 61.25 C ATOM 1248 C LEU A 71 -4.944 10.738 -8.845 1.00 45.53 C ATOM 1249 O LEU A 71 -6.071 11.037 -9.241 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.188 8.913 -7.064 1.00 11.24 C ATOM 1251 CG LEU A 71 -4.895 7.487 -6.596 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.149 7.338 -5.095 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -5.688 6.466 -7.416 1.00 31.15 C ATOM 0 H LEU A 71 -2.767 8.857 -7.564 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.113 8.643 -9.151 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.794 9.606 -6.321 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.269 9.052 -7.087 1.00 11.24 H new ATOM 0 HG LEU A 71 -3.837 7.284 -6.765 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -4.933 6.314 -4.789 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.504 8.024 -4.547 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.192 7.569 -4.878 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -5.461 5.460 -7.063 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -6.755 6.658 -7.303 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -5.413 6.552 -8.467 1.00 31.15 H new ATOM 1265 N GLN A 72 -3.936 11.591 -8.740 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.098 12.989 -9.098 1.00 2.32 C ATOM 1267 C GLN A 72 -5.462 13.502 -8.634 1.00 41.52 C ATOM 1268 O GLN A 72 -6.149 14.204 -9.374 1.00 73.52 O ATOM 1269 CB GLN A 72 -3.918 13.194 -10.603 1.00 45.04 C ATOM 1270 CG GLN A 72 -4.828 12.255 -11.398 1.00 10.21 C ATOM 1271 CD GLN A 72 -4.759 12.559 -12.895 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -4.327 13.618 -13.320 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.206 11.573 -13.669 1.00 53.14 N ATOM 0 H GLN A 72 -3.003 11.340 -8.412 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.324 13.565 -8.591 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.142 14.229 -10.862 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -2.878 13.015 -10.876 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -4.533 11.221 -11.220 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -5.856 12.358 -11.050 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -5.554 10.712 -13.248 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.200 11.678 -14.684 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.814 13.131 -7.413 1.00 45.22 N ATOM 1283 CA LEU A 73 -7.085 13.544 -6.842 1.00 53.22 C ATOM 1284 C LEU A 73 -7.000 15.016 -6.431 1.00 1.12 C ATOM 1285 O LEU A 73 -5.916 15.598 -6.414 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.488 12.609 -5.699 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.271 11.115 -5.947 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.997 10.376 -4.636 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.450 10.509 -6.711 1.00 40.04 C ATOM 0 H LEU A 73 -5.241 12.548 -6.802 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.880 13.465 -7.584 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.928 12.894 -4.808 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.543 12.771 -5.478 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.387 10.998 -6.574 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.846 9.316 -4.840 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -6.102 10.786 -4.167 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.847 10.499 -3.965 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.270 9.446 -6.874 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.364 10.638 -6.131 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.557 11.011 -7.673 1.00 40.04 H new ATOM 1301 N ASN A 74 -8.156 15.575 -6.108 1.00 35.22 N ATOM 1302 CA ASN A 74 -8.227 16.967 -5.698 1.00 74.20 C ATOM 1303 C ASN A 74 -8.545 17.039 -4.203 1.00 51.40 C ATOM 1304 O ASN A 74 -8.759 16.012 -3.560 1.00 1.13 O ATOM 1305 CB ASN A 74 -9.331 17.709 -6.453 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.853 18.138 -7.841 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -8.729 17.343 -8.758 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -8.592 19.439 -7.945 1.00 1.30 N ATOM 0 H ASN A 74 -9.053 15.089 -6.122 1.00 35.22 H new ATOM 0 HA ASN A 74 -7.266 17.432 -5.918 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -10.206 17.066 -6.548 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.640 18.586 -5.884 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -8.267 19.825 -8.832 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -8.717 20.050 -7.138 1.00 1.30 H new ATOM 1315 N ALA A 75 -8.567 18.262 -3.693 1.00 12.11 N ATOM 1316 CA ALA A 75 -8.856 18.481 -2.286 1.00 24.42 C ATOM 1317 C ALA A 75 -10.199 17.835 -1.939 1.00 44.43 C ATOM 1318 O ALA A 75 -10.348 17.235 -0.876 1.00 11.42 O ATOM 1319 CB ALA A 75 -8.836 19.981 -1.988 1.00 14.40 C ATOM 0 H ALA A 75 -8.389 19.111 -4.229 1.00 12.11 H new ATOM 0 HA ALA A 75 -8.095 18.015 -1.661 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -9.053 20.145 -0.932 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -7.852 20.386 -2.223 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -9.589 20.483 -2.595 1.00 14.40 H new ATOM 1325 N ASN A 76 -11.143 17.981 -2.857 1.00 1.33 N ATOM 1326 CA ASN A 76 -12.470 17.420 -2.662 1.00 24.12 C ATOM 1327 C ASN A 76 -12.350 15.918 -2.401 1.00 74.34 C ATOM 1328 O ASN A 76 -13.069 15.369 -1.568 1.00 61.04 O ATOM 1329 CB ASN A 76 -13.339 17.616 -3.905 1.00 13.50 C ATOM 1330 CG ASN A 76 -13.822 19.065 -4.014 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -14.338 19.646 -3.074 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -13.626 19.611 -5.210 1.00 33.55 N ATOM 0 H ASN A 76 -11.016 18.479 -3.738 1.00 1.33 H new ATOM 0 HA ASN A 76 -12.931 17.930 -1.816 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.770 17.350 -4.796 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -14.197 16.945 -3.863 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -13.914 20.574 -5.384 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -13.188 19.067 -5.953 1.00 33.55 H new ATOM 1339 N GLN A 77 -11.436 15.294 -3.131 1.00 5.11 N ATOM 1340 CA GLN A 77 -11.212 13.865 -2.989 1.00 23.14 C ATOM 1341 C GLN A 77 -10.104 13.600 -1.968 1.00 75.30 C ATOM 1342 O GLN A 77 -8.999 14.127 -2.095 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.880 13.226 -4.338 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.372 11.793 -4.156 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.495 10.870 -3.679 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -11.406 10.529 -2.397 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.382 10.493 -4.426 1.00 2.12 N flip ATOM 0 H GLN A 77 -10.842 15.752 -3.822 1.00 5.11 H new ATOM 0 HA GLN A 77 -12.131 13.407 -2.624 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.767 13.224 -4.971 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -10.124 13.821 -4.850 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.969 11.424 -5.099 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.556 11.782 -3.434 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -12.390 10.793 -5.401 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -13.116 9.877 -4.076 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.436 12.784 -0.980 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.483 12.442 0.063 1.00 43.41 C ATOM 1358 C ALA A 78 -8.942 11.033 -0.189 1.00 61.31 C ATOM 1359 O ALA A 78 -9.702 10.121 -0.511 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.153 12.574 1.432 1.00 61.34 C ATOM 0 H ALA A 78 -11.353 12.349 -0.879 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.636 13.128 0.049 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.438 12.317 2.213 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.492 13.600 1.574 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.007 11.899 1.486 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.633 10.900 -0.033 1.00 75.54 N ATOM 1367 CA PHE A 79 -6.982 9.617 -0.238 1.00 50.43 C ATOM 1368 C PHE A 79 -6.090 9.258 0.951 1.00 43.02 C ATOM 1369 O PHE A 79 -5.337 10.096 1.443 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.112 9.753 -1.490 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.836 8.909 -1.455 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.910 7.558 -1.589 1.00 41.31 C ATOM 1373 CD2 PHE A 79 -3.628 9.512 -1.290 1.00 44.31 C ATOM 1374 CE1 PHE A 79 -3.725 6.776 -1.557 1.00 70.15 C ATOM 1375 CE2 PHE A 79 -2.443 8.730 -1.257 1.00 23.15 C ATOM 1376 CZ PHE A 79 -2.517 7.378 -1.391 1.00 20.55 C ATOM 0 H PHE A 79 -7.006 11.659 0.233 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.731 8.833 -0.345 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.701 9.467 -2.362 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.839 10.800 -1.619 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.870 7.080 -1.720 1.00 41.31 H new ATOM 0 HD2 PHE A 79 -3.570 10.585 -1.184 1.00 44.31 H new ATOM 0 HE1 PHE A 79 -3.783 5.703 -1.665 1.00 70.15 H new ATOM 0 HE2 PHE A 79 -1.484 9.208 -1.126 1.00 23.15 H new ATOM 0 HZ PHE A 79 -1.616 6.783 -1.366 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.205 8.008 1.380 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.419 7.528 2.503 1.00 53.43 C ATOM 1388 C PHE A 80 -4.995 6.073 2.293 1.00 1.31 C ATOM 1389 O PHE A 80 -5.840 5.183 2.202 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.311 7.612 3.743 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.326 8.991 4.406 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.159 9.573 4.792 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -7.506 9.635 4.609 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -5.173 10.852 5.408 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -7.521 10.914 5.225 1.00 25.31 C ATOM 1396 CZ PHE A 80 -6.353 11.496 5.611 1.00 53.22 C ATOM 0 H PHE A 80 -6.831 7.315 0.970 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.517 8.130 2.609 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.330 7.343 3.464 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.974 6.874 4.471 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.221 9.062 4.630 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.433 9.173 4.301 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -4.246 11.313 5.715 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -8.459 11.425 5.387 1.00 25.31 H new ATOM 0 HZ PHE A 80 -6.363 12.469 6.079 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.686 5.876 2.221 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.140 4.544 2.023 1.00 10.45 C ATOM 1408 C LEU A 81 -3.002 3.847 3.378 1.00 41.41 C ATOM 1409 O LEU A 81 -2.210 4.268 4.219 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.832 4.614 1.233 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.674 3.590 0.105 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -0.219 3.509 -0.361 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -2.218 2.224 0.527 1.00 32.24 C ATOM 0 H LEU A 81 -2.988 6.616 2.296 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.819 3.940 1.421 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.742 5.613 0.806 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.003 4.489 1.929 1.00 51.24 H new ATOM 0 HG LEU A 81 -2.266 3.924 -0.747 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -0.134 2.775 -1.162 1.00 70.10 H new ATOM 0 HD12 LEU A 81 0.101 4.485 -0.727 1.00 70.10 H new ATOM 0 HD13 LEU A 81 0.414 3.210 0.474 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -2.094 1.515 -0.291 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.672 1.869 1.401 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -3.276 2.314 0.772 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.786 2.792 3.547 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.762 2.033 4.785 1.00 2.41 C ATOM 1427 C LEU A 82 -2.706 0.930 4.683 1.00 23.30 C ATOM 1428 O LEU A 82 -2.818 0.034 3.848 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.161 1.514 5.124 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.232 2.580 5.361 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -6.096 3.195 6.755 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.201 3.643 4.260 1.00 2.33 C ATOM 0 H LEU A 82 -4.442 2.445 2.847 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.474 2.675 5.618 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.494 0.867 4.312 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.090 0.893 6.017 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.209 2.098 5.316 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.870 3.950 6.897 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -6.207 2.416 7.509 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -5.115 3.659 6.854 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -6.972 4.389 4.452 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.224 4.126 4.248 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.385 3.172 3.294 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.703 1.033 5.543 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.628 0.055 5.559 1.00 54.23 C ATOM 1446 C VAL A 83 -1.074 -1.174 6.353 1.00 0.12 C ATOM 1447 O VAL A 83 -1.283 -1.094 7.563 1.00 11.13 O ATOM 1448 CB VAL A 83 0.649 0.693 6.109 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.717 -0.369 6.384 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.178 1.770 5.159 1.00 25.30 C ATOM 0 H VAL A 83 -1.612 1.778 6.233 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.399 -0.279 4.547 1.00 54.23 H new ATOM 0 HB VAL A 83 0.403 1.174 7.056 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.615 0.110 6.774 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.340 -1.083 7.116 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.958 -0.891 5.458 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.086 2.207 5.574 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.401 1.323 4.190 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.425 2.548 5.035 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.207 -2.283 5.641 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.623 -3.527 6.264 1.00 22.42 C ATOM 1462 C ASN A 84 -3.033 -3.360 6.834 1.00 41.23 C ATOM 1463 O ASN A 84 -3.445 -4.116 7.713 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.689 -3.906 7.416 1.00 70.52 C ATOM 1465 CG ASN A 84 0.123 -5.156 7.075 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.232 -4.909 6.382 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.232 -6.272 7.418 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.034 -2.346 4.638 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.596 -4.309 5.506 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.014 -3.077 7.630 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.273 -4.083 8.319 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.095 -6.392 7.949 1.00 73.33 H new ATOM 0 HD22 ASN A 84 0.334 -7.085 7.174 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.734 -2.365 6.311 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.089 -2.089 6.756 1.00 4.21 C ATOM 1476 C GLY A 85 -5.099 -1.030 7.861 1.00 61.15 C ATOM 1477 O GLY A 85 -6.141 -0.754 8.453 1.00 20.01 O ATOM 0 H GLY A 85 -3.389 -1.740 5.583 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.689 -1.746 5.913 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.549 -3.007 7.123 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.925 -0.466 8.105 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.784 0.556 9.128 1.00 11.12 C ATOM 1483 C HIS A 86 -3.091 1.785 8.535 1.00 50.33 C ATOM 1484 O HIS A 86 -2.025 1.670 7.934 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.058 0.000 10.355 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.673 -0.525 10.063 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.609 0.301 9.744 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.189 -1.800 10.046 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.462 -0.455 9.545 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.099 -1.757 9.732 1.00 4.14 N ATOM 0 H HIS A 86 -3.063 -0.698 7.612 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.770 0.869 9.472 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.987 0.784 11.109 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.656 -0.803 10.786 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.643 1.318 9.674 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -1.758 -2.694 10.253 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.448 -0.102 9.281 1.00 52.33 H new ATOM 1498 N SER A 87 -3.726 2.931 8.724 1.00 21.12 N ATOM 1499 CA SER A 87 -3.185 4.180 8.216 1.00 35.33 C ATOM 1500 C SER A 87 -1.783 4.413 8.785 1.00 12.03 C ATOM 1501 O SER A 87 -1.335 3.675 9.661 1.00 44.20 O ATOM 1502 CB SER A 87 -4.100 5.357 8.557 1.00 21.01 C ATOM 1503 OG SER A 87 -3.892 5.826 9.887 1.00 72.54 O ATOM 0 H SER A 87 -4.611 3.021 9.222 1.00 21.12 H new ATOM 0 HA SER A 87 -3.122 4.109 7.130 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.922 6.170 7.854 1.00 21.01 H new ATOM 0 HB3 SER A 87 -5.140 5.054 8.438 1.00 21.01 H new ATOM 0 HG SER A 87 -3.928 6.805 9.898 1.00 72.54 H new ATOM 1509 N MET A 88 -1.132 5.442 8.264 1.00 23.44 N ATOM 1510 CA MET A 88 0.209 5.782 8.710 1.00 70.11 C ATOM 1511 C MET A 88 0.251 7.197 9.291 1.00 34.21 C ATOM 1512 O MET A 88 1.178 7.957 9.015 1.00 30.24 O ATOM 1513 CB MET A 88 1.179 5.685 7.531 1.00 23.21 C ATOM 1514 CG MET A 88 0.530 6.197 6.244 1.00 12.04 C ATOM 1515 SD MET A 88 0.156 7.936 6.398 1.00 73.31 S ATOM 1516 CE MET A 88 -1.611 7.896 6.147 1.00 51.33 C ATOM 0 H MET A 88 -1.508 6.052 7.537 1.00 23.44 H new ATOM 0 HA MET A 88 0.501 5.080 9.491 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.077 6.265 7.745 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.492 4.650 7.398 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.200 6.034 5.400 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.383 5.637 6.040 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.928 8.809 5.642 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.872 7.033 5.534 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.114 7.822 7.111 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.764 7.508 10.083 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.854 8.818 10.705 1.00 62.21 C ATOM 1528 C VAL A 89 0.540 9.264 11.149 1.00 24.13 C ATOM 1529 O VAL A 89 0.837 10.457 11.172 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.865 8.784 11.853 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.223 8.243 13.132 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -2.474 10.167 12.088 1.00 72.21 C ATOM 0 H VAL A 89 -1.532 6.875 10.308 1.00 62.44 H new ATOM 0 HA VAL A 89 -1.219 9.556 9.990 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.671 8.107 11.570 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -1.963 8.229 13.933 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -0.859 7.231 12.956 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -0.389 8.883 13.419 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -3.189 10.115 12.909 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -1.684 10.875 12.339 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -2.984 10.499 11.183 1.00 72.21 H new ATOM 1542 N SER A 90 1.360 8.280 11.492 1.00 43.15 N ATOM 1543 CA SER A 90 2.716 8.557 11.934 1.00 5.54 C ATOM 1544 C SER A 90 3.720 7.899 10.986 1.00 40.34 C ATOM 1545 O SER A 90 3.908 6.684 11.020 1.00 35.33 O ATOM 1546 CB SER A 90 2.939 8.066 13.367 1.00 14.32 C ATOM 1547 OG SER A 90 4.049 8.710 13.985 1.00 2.52 O ATOM 0 H SER A 90 1.111 7.291 11.473 1.00 43.15 H new ATOM 0 HA SER A 90 2.867 9.636 11.920 1.00 5.54 H new ATOM 0 HB2 SER A 90 2.040 8.248 13.956 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.103 6.988 13.360 1.00 14.32 H new ATOM 0 HG SER A 90 4.157 8.371 14.898 1.00 2.52 H new ATOM 1553 N VAL A 91 4.339 8.731 10.161 1.00 73.43 N ATOM 1554 CA VAL A 91 5.319 8.247 9.204 1.00 23.12 C ATOM 1555 C VAL A 91 6.713 8.716 9.627 1.00 2.11 C ATOM 1556 O VAL A 91 7.175 9.769 9.192 1.00 34.04 O ATOM 1557 CB VAL A 91 4.939 8.696 7.792 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.167 10.017 7.826 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.177 8.807 6.900 1.00 15.53 C ATOM 0 H VAL A 91 4.180 9.738 10.136 1.00 73.43 H new ATOM 0 HA VAL A 91 5.333 7.157 9.190 1.00 23.12 H new ATOM 0 HB VAL A 91 4.285 7.937 7.364 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.909 10.314 6.809 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.255 9.891 8.410 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.786 10.789 8.283 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.879 9.128 5.902 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.867 9.536 7.324 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.668 7.836 6.837 1.00 15.53 H new ATOM 1569 N SER A 92 7.344 7.910 10.468 1.00 1.13 N ATOM 1570 CA SER A 92 8.675 8.229 10.953 1.00 51.40 C ATOM 1571 C SER A 92 9.620 7.052 10.705 1.00 74.42 C ATOM 1572 O SER A 92 10.669 6.948 11.338 1.00 22.05 O ATOM 1573 CB SER A 92 8.649 8.583 12.442 1.00 12.45 C ATOM 1574 OG SER A 92 9.769 9.377 12.822 1.00 11.51 O ATOM 0 H SER A 92 6.958 7.036 10.826 1.00 1.13 H new ATOM 0 HA SER A 92 9.038 9.099 10.406 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.729 9.121 12.671 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.637 7.667 13.032 1.00 12.45 H new ATOM 0 HG SER A 92 10.590 8.973 12.471 1.00 11.51 H new ATOM 1580 N THR A 93 9.213 6.194 9.781 1.00 61.14 N ATOM 1581 CA THR A 93 10.009 5.026 9.440 1.00 63.22 C ATOM 1582 C THR A 93 10.188 4.927 7.924 1.00 21.35 C ATOM 1583 O THR A 93 9.283 5.271 7.165 1.00 40.15 O ATOM 1584 CB THR A 93 9.335 3.798 10.055 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.532 3.960 11.457 1.00 4.41 O ATOM 1586 CG2 THR A 93 10.071 2.499 9.723 1.00 72.01 C ATOM 0 H THR A 93 8.342 6.284 9.258 1.00 61.14 H new ATOM 0 HA THR A 93 11.016 5.100 9.850 1.00 63.22 H new ATOM 0 HB THR A 93 8.306 3.733 9.701 1.00 14.31 H new ATOM 0 HG1 THR A 93 9.124 3.207 11.934 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.552 1.659 10.183 1.00 72.01 H new ATOM 0 HG22 THR A 93 10.097 2.362 8.642 1.00 72.01 H new ATOM 0 HG23 THR A 93 11.090 2.550 10.107 1.00 72.01 H new ATOM 1594 N PRO A 94 11.391 4.441 7.518 1.00 14.14 N ATOM 1595 CA PRO A 94 11.700 4.292 6.107 1.00 74.20 C ATOM 1596 C PRO A 94 10.974 3.085 5.511 1.00 15.02 C ATOM 1597 O PRO A 94 10.904 2.027 6.136 1.00 45.33 O ATOM 1598 CB PRO A 94 13.214 4.164 6.046 1.00 44.34 C ATOM 1599 CG PRO A 94 13.656 3.780 7.449 1.00 22.42 C ATOM 1600 CD PRO A 94 12.487 4.024 8.389 1.00 54.04 C ATOM 0 HA PRO A 94 11.361 5.139 5.511 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.513 3.407 5.321 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.673 5.102 5.735 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.959 2.734 7.481 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.520 4.372 7.752 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.230 3.122 8.944 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.724 4.794 9.124 1.00 54.04 H new ATOM 1608 N ILE A 95 10.451 3.282 4.309 1.00 43.23 N ATOM 1609 CA ILE A 95 9.733 2.222 3.623 1.00 11.34 C ATOM 1610 C ILE A 95 10.538 0.925 3.712 1.00 4.52 C ATOM 1611 O ILE A 95 9.967 -0.163 3.761 1.00 11.01 O ATOM 1612 CB ILE A 95 9.399 2.642 2.190 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.357 1.707 1.572 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.666 2.731 1.336 1.00 74.51 C ATOM 1615 CD1 ILE A 95 7.092 2.477 1.184 1.00 23.35 C ATOM 0 H ILE A 95 10.511 4.160 3.793 1.00 43.23 H new ATOM 0 HA ILE A 95 8.775 2.036 4.108 1.00 11.34 H new ATOM 0 HB ILE A 95 8.959 3.639 2.221 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.776 1.221 0.691 1.00 71.40 H new ATOM 0 HG13 ILE A 95 8.104 0.919 2.281 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.401 3.031 0.322 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.344 3.467 1.767 1.00 74.51 H new ATOM 0 HG23 ILE A 95 11.156 1.758 1.310 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.367 1.790 0.747 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.662 2.942 2.071 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.344 3.249 0.457 1.00 23.35 H new ATOM 1627 N SER A 96 11.854 1.083 3.730 1.00 11.42 N ATOM 1628 CA SER A 96 12.744 -0.063 3.812 1.00 51.52 C ATOM 1629 C SER A 96 12.424 -0.885 5.062 1.00 41.31 C ATOM 1630 O SER A 96 12.385 -2.113 5.009 1.00 24.42 O ATOM 1631 CB SER A 96 14.209 0.378 3.827 1.00 73.11 C ATOM 1632 OG SER A 96 14.471 1.325 4.859 1.00 50.12 O ATOM 0 H SER A 96 12.325 1.987 3.689 1.00 11.42 H new ATOM 0 HA SER A 96 12.588 -0.682 2.928 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.849 -0.494 3.964 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.466 0.813 2.861 1.00 73.11 H new ATOM 0 HG SER A 96 15.417 1.580 4.836 1.00 50.12 H new ATOM 1638 N GLU A 97 12.203 -0.174 6.159 1.00 73.25 N ATOM 1639 CA GLU A 97 11.889 -0.823 7.420 1.00 22.40 C ATOM 1640 C GLU A 97 10.397 -1.158 7.487 1.00 74.43 C ATOM 1641 O GLU A 97 10.025 -2.308 7.715 1.00 53.53 O ATOM 1642 CB GLU A 97 12.310 0.049 8.605 1.00 24.31 C ATOM 1643 CG GLU A 97 13.828 0.231 8.639 1.00 14.32 C ATOM 1644 CD GLU A 97 14.260 0.999 9.890 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.824 2.098 9.779 1.00 33.11 O ATOM 1646 OE2 GLU A 97 13.989 0.416 11.009 1.00 21.14 O ATOM 0 H GLU A 97 12.235 0.845 6.200 1.00 73.25 H new ATOM 0 HA GLU A 97 12.453 -1.754 7.478 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.825 1.023 8.535 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.974 -0.409 9.535 1.00 24.31 H new ATOM 0 HG2 GLU A 97 14.315 -0.744 8.620 1.00 14.32 H new ATOM 0 HG3 GLU A 97 14.154 0.768 7.748 1.00 14.32 H new ATOM 1654 N VAL A 98 9.584 -0.131 7.285 1.00 73.03 N ATOM 1655 CA VAL A 98 8.141 -0.301 7.320 1.00 14.31 C ATOM 1656 C VAL A 98 7.768 -1.598 6.599 1.00 14.23 C ATOM 1657 O VAL A 98 6.792 -2.254 6.958 1.00 62.31 O ATOM 1658 CB VAL A 98 7.454 0.931 6.727 1.00 13.13 C ATOM 1659 CG1 VAL A 98 6.036 0.597 6.262 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.445 2.088 7.729 1.00 53.40 C ATOM 0 H VAL A 98 9.897 0.821 7.097 1.00 73.03 H new ATOM 0 HA VAL A 98 7.791 -0.388 8.349 1.00 14.31 H new ATOM 0 HB VAL A 98 8.026 1.247 5.855 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.570 1.490 5.845 1.00 53.03 H new ATOM 0 HG12 VAL A 98 6.077 -0.181 5.500 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.449 0.244 7.110 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.951 2.951 7.283 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.907 1.787 8.628 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.470 2.351 7.990 1.00 53.40 H new ATOM 1670 N TYR A 99 8.564 -1.930 5.593 1.00 23.41 N ATOM 1671 CA TYR A 99 8.330 -3.136 4.818 1.00 72.23 C ATOM 1672 C TYR A 99 8.839 -4.372 5.561 1.00 41.42 C ATOM 1673 O TYR A 99 8.140 -5.381 5.646 1.00 44.51 O ATOM 1674 CB TYR A 99 9.129 -2.968 3.524 1.00 73.42 C ATOM 1675 CG TYR A 99 9.482 -4.288 2.836 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.597 -4.997 3.233 1.00 72.44 C ATOM 1677 CD2 TYR A 99 8.686 -4.769 1.817 1.00 10.12 C ATOM 1678 CE1 TYR A 99 10.930 -6.239 2.586 1.00 65.15 C ATOM 1679 CE2 TYR A 99 9.019 -6.011 1.168 1.00 13.41 C ATOM 1680 CZ TYR A 99 10.124 -6.685 1.585 1.00 12.34 C ATOM 1681 OH TYR A 99 10.438 -7.859 0.973 1.00 34.03 O ATOM 0 H TYR A 99 9.373 -1.384 5.297 1.00 23.41 H new ATOM 0 HA TYR A 99 7.264 -3.274 4.636 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.555 -2.351 2.832 1.00 73.42 H new ATOM 0 HB3 TYR A 99 10.049 -2.427 3.745 1.00 73.42 H new ATOM 0 HD1 TYR A 99 11.221 -4.620 4.030 1.00 72.44 H new ATOM 0 HD2 TYR A 99 7.813 -4.214 1.506 1.00 10.12 H new ATOM 0 HE1 TYR A 99 11.800 -6.804 2.888 1.00 65.15 H new ATOM 0 HE2 TYR A 99 8.405 -6.398 0.368 1.00 13.41 H new ATOM 0 HH TYR A 99 9.774 -8.054 0.279 1.00 34.03 H new ATOM 1691 N GLU A 100 10.052 -4.253 6.080 1.00 24.12 N ATOM 1692 CA GLU A 100 10.663 -5.349 6.813 1.00 10.14 C ATOM 1693 C GLU A 100 9.976 -5.530 8.168 1.00 24.24 C ATOM 1694 O GLU A 100 10.287 -6.463 8.907 1.00 64.34 O ATOM 1695 CB GLU A 100 12.166 -5.123 6.987 1.00 52.12 C ATOM 1696 CG GLU A 100 12.455 -4.313 8.252 1.00 41.55 C ATOM 1697 CD GLU A 100 13.925 -3.889 8.307 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.510 -3.820 9.398 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.460 -3.627 7.163 1.00 74.24 O ATOM 0 H GLU A 100 10.628 -3.415 6.008 1.00 24.12 H new ATOM 0 HA GLU A 100 10.531 -6.264 6.235 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.678 -6.084 7.041 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.562 -4.599 6.117 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.817 -3.430 8.276 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.211 -4.907 9.133 1.00 41.55 H new ATOM 1707 N SER A 101 9.053 -4.622 8.453 1.00 23.43 N ATOM 1708 CA SER A 101 8.319 -4.670 9.707 1.00 33.22 C ATOM 1709 C SER A 101 6.855 -5.027 9.443 1.00 63.15 C ATOM 1710 O SER A 101 6.090 -5.257 10.378 1.00 0.10 O ATOM 1711 CB SER A 101 8.414 -3.337 10.451 1.00 23.11 C ATOM 1712 OG SER A 101 9.600 -3.246 11.235 1.00 11.13 O ATOM 0 H SER A 101 8.797 -3.850 7.838 1.00 23.43 H new ATOM 0 HA SER A 101 8.766 -5.440 10.336 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.391 -2.518 9.732 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.543 -3.219 11.096 1.00 23.11 H new ATOM 0 HG SER A 101 9.624 -2.380 11.693 1.00 11.13 H new ATOM 1718 N GLU A 102 6.509 -5.065 8.164 1.00 74.03 N ATOM 1719 CA GLU A 102 5.151 -5.390 7.764 1.00 73.55 C ATOM 1720 C GLU A 102 5.151 -6.583 6.806 1.00 44.54 C ATOM 1721 O GLU A 102 4.524 -7.605 7.081 1.00 34.43 O ATOM 1722 CB GLU A 102 4.460 -4.179 7.134 1.00 0.30 C ATOM 1723 CG GLU A 102 4.408 -3.005 8.114 1.00 75.10 C ATOM 1724 CD GLU A 102 3.937 -1.728 7.415 1.00 24.40 C ATOM 1725 OE1 GLU A 102 3.670 -0.719 8.083 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.855 -1.809 6.129 1.00 73.01 O ATOM 0 H GLU A 102 7.147 -4.876 7.391 1.00 74.03 H new ATOM 0 HA GLU A 102 4.586 -5.665 8.655 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.993 -3.880 6.232 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.448 -4.450 6.832 1.00 0.30 H new ATOM 0 HG2 GLU A 102 3.734 -3.243 8.937 1.00 75.10 H new ATOM 0 HG3 GLU A 102 5.395 -2.844 8.547 1.00 75.10 H new ATOM 1734 N ARG A 103 5.861 -6.412 5.700 1.00 73.01 N ATOM 1735 CA ARG A 103 5.950 -7.462 4.700 1.00 11.32 C ATOM 1736 C ARG A 103 6.025 -8.833 5.374 1.00 10.30 C ATOM 1737 O ARG A 103 6.449 -8.942 6.524 1.00 22.34 O ATOM 1738 CB ARG A 103 7.181 -7.272 3.810 1.00 73.24 C ATOM 1739 CG ARG A 103 8.452 -7.728 4.528 1.00 1.11 C ATOM 1740 CD ARG A 103 8.739 -9.204 4.251 1.00 64.23 C ATOM 1741 NE ARG A 103 10.199 -9.433 4.183 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.775 -10.460 3.523 1.00 54.13 C ATOM 1743 NH1 ARG A 103 10.017 -11.364 2.866 1.00 40.42 N ATOM 1744 NH2 ARG A 103 12.091 -10.568 3.530 1.00 53.31 N ATOM 0 H ARG A 103 6.379 -5.563 5.475 1.00 73.01 H new ATOM 0 HA ARG A 103 5.055 -7.406 4.081 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.058 -7.838 2.887 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.274 -6.223 3.530 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.296 -7.122 4.200 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.344 -7.570 5.601 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.302 -9.821 5.036 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.272 -9.504 3.313 1.00 64.23 H new ATOM 0 HE ARG A 103 10.809 -8.773 4.665 1.00 73.51 H new ATOM 0 HH11 ARG A 103 9.001 -11.274 2.866 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.460 -12.137 2.370 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.656 -9.881 4.029 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.542 -11.338 3.036 1.00 53.31 H new ATOM 1757 N ASP A 104 5.607 -9.847 4.630 1.00 3.22 N ATOM 1758 CA ASP A 104 5.621 -11.207 5.142 1.00 24.23 C ATOM 1759 C ASP A 104 6.647 -12.030 4.360 1.00 52.11 C ATOM 1760 O ASP A 104 7.351 -11.500 3.503 1.00 14.33 O ATOM 1761 CB ASP A 104 4.253 -11.872 4.974 1.00 21.34 C ATOM 1762 CG ASP A 104 3.390 -11.904 6.236 1.00 33.24 C ATOM 1763 OD1 ASP A 104 2.319 -11.283 6.294 1.00 13.53 O ATOM 1764 OD2 ASP A 104 3.865 -12.614 7.203 1.00 12.42 O ATOM 0 H ASP A 104 5.257 -9.754 3.677 1.00 3.22 H new ATOM 0 HA ASP A 104 5.875 -11.167 6.201 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.705 -11.348 4.191 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.403 -12.895 4.629 1.00 21.34 H new ATOM 1770 N GLU A 105 6.698 -13.314 4.685 1.00 4.45 N ATOM 1771 CA GLU A 105 7.627 -14.216 4.024 1.00 23.41 C ATOM 1772 C GLU A 105 7.608 -13.982 2.512 1.00 43.50 C ATOM 1773 O GLU A 105 8.658 -13.819 1.893 1.00 71.12 O ATOM 1774 CB GLU A 105 7.305 -15.674 4.359 1.00 74.25 C ATOM 1775 CG GLU A 105 7.209 -15.882 5.871 1.00 61.33 C ATOM 1776 CD GLU A 105 8.372 -15.198 6.594 1.00 54.43 C ATOM 1777 OE1 GLU A 105 9.529 -15.330 6.169 1.00 41.24 O ATOM 1778 OE2 GLU A 105 8.038 -14.508 7.632 1.00 31.11 O ATOM 0 H GLU A 105 6.112 -13.751 5.396 1.00 4.45 H new ATOM 0 HA GLU A 105 8.632 -14.007 4.391 1.00 23.41 H new ATOM 0 HB2 GLU A 105 6.364 -15.959 3.889 1.00 74.25 H new ATOM 0 HB3 GLU A 105 8.077 -16.324 3.947 1.00 74.25 H new ATOM 0 HG2 GLU A 105 6.263 -15.483 6.237 1.00 61.33 H new ATOM 0 HG3 GLU A 105 7.213 -16.949 6.096 1.00 61.33 H new ATOM 1786 N ASP A 106 6.403 -13.976 1.961 1.00 14.21 N ATOM 1787 CA ASP A 106 6.234 -13.765 0.534 1.00 71.01 C ATOM 1788 C ASP A 106 7.222 -12.698 0.060 1.00 12.41 C ATOM 1789 O ASP A 106 7.957 -12.911 -0.903 1.00 41.35 O ATOM 1790 CB ASP A 106 4.820 -13.277 0.212 1.00 4.22 C ATOM 1791 CG ASP A 106 4.390 -12.009 0.952 1.00 72.31 C ATOM 1792 OD1 ASP A 106 4.031 -10.997 0.331 1.00 41.53 O ATOM 1793 OD2 ASP A 106 4.434 -12.087 2.239 1.00 55.23 O ATOM 0 H ASP A 106 5.534 -14.114 2.478 1.00 14.21 H new ATOM 0 HA ASP A 106 6.410 -14.715 0.030 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.750 -13.095 -0.860 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.114 -14.074 0.447 1.00 4.22 H new ATOM 1799 N GLY A 107 7.208 -11.572 0.758 1.00 33.44 N ATOM 1800 CA GLY A 107 8.094 -10.471 0.420 1.00 23.13 C ATOM 1801 C GLY A 107 7.346 -9.383 -0.353 1.00 31.21 C ATOM 1802 O GLY A 107 7.931 -8.700 -1.192 1.00 13.31 O ATOM 0 H GLY A 107 6.597 -11.398 1.556 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.519 -10.048 1.331 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.927 -10.840 -0.179 1.00 23.13 H new ATOM 1806 N PHE A 108 6.064 -9.257 -0.044 1.00 52.33 N ATOM 1807 CA PHE A 108 5.230 -8.264 -0.701 1.00 14.14 C ATOM 1808 C PHE A 108 4.399 -7.485 0.320 1.00 21.33 C ATOM 1809 O PHE A 108 3.736 -8.078 1.170 1.00 22.32 O ATOM 1810 CB PHE A 108 4.287 -9.021 -1.638 1.00 51.42 C ATOM 1811 CG PHE A 108 4.345 -8.550 -3.092 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.553 -7.236 -3.373 1.00 32.51 C ATOM 1813 CD2 PHE A 108 4.188 -9.445 -4.104 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.607 -6.798 -4.724 1.00 73.31 C ATOM 1815 CE2 PHE A 108 4.241 -9.007 -5.454 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.450 -7.693 -5.735 1.00 4.21 C ATOM 0 H PHE A 108 5.582 -9.826 0.652 1.00 52.33 H new ATOM 0 HA PHE A 108 5.854 -7.552 -1.241 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.530 -10.083 -1.601 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.266 -8.914 -1.273 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.677 -6.525 -2.570 1.00 32.51 H new ATOM 0 HD2 PHE A 108 4.023 -10.489 -3.881 1.00 14.11 H new ATOM 0 HE1 PHE A 108 4.773 -5.754 -4.947 1.00 73.31 H new ATOM 0 HE2 PHE A 108 4.115 -9.718 -6.258 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.491 -7.360 -6.762 1.00 4.21 H new ATOM 1826 N LEU A 109 4.459 -6.166 0.203 1.00 21.41 N ATOM 1827 CA LEU A 109 3.720 -5.300 1.105 1.00 35.21 C ATOM 1828 C LEU A 109 2.252 -5.259 0.676 1.00 20.13 C ATOM 1829 O LEU A 109 1.951 -5.203 -0.516 1.00 53.12 O ATOM 1830 CB LEU A 109 4.378 -3.921 1.183 1.00 71.00 C ATOM 1831 CG LEU A 109 5.125 -3.607 2.480 1.00 51.53 C ATOM 1832 CD1 LEU A 109 5.478 -2.121 2.562 1.00 10.31 C ATOM 1833 CD2 LEU A 109 4.328 -4.075 3.700 1.00 53.35 C ATOM 0 H LEU A 109 5.008 -5.676 -0.503 1.00 21.41 H new ATOM 0 HA LEU A 109 3.745 -5.696 2.120 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.077 -3.827 0.352 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.607 -3.164 1.038 1.00 71.00 H new ATOM 0 HG LEU A 109 6.063 -4.162 2.477 1.00 51.53 H new ATOM 0 HD11 LEU A 109 6.009 -1.924 3.494 1.00 10.31 H new ATOM 0 HD12 LEU A 109 6.113 -1.851 1.718 1.00 10.31 H new ATOM 0 HD13 LEU A 109 4.564 -1.528 2.533 1.00 10.31 H new ATOM 0 HD21 LEU A 109 4.882 -3.839 4.609 1.00 53.35 H new ATOM 0 HD22 LEU A 109 3.364 -3.568 3.721 1.00 53.35 H new ATOM 0 HD23 LEU A 109 4.170 -5.152 3.640 1.00 53.35 H new ATOM 1845 N TYR A 110 1.376 -5.285 1.670 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.052 -5.250 1.411 1.00 32.34 C ATOM 1847 C TYR A 110 -0.696 -4.016 2.046 1.00 41.52 C ATOM 1848 O TYR A 110 -0.842 -3.946 3.264 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.631 -6.506 2.066 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.025 -7.813 1.550 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.547 -8.417 0.423 1.00 65.35 C ATOM 1852 CD2 TYR A 110 1.042 -8.388 2.210 1.00 40.13 C ATOM 1853 CE1 TYR A 110 0.023 -9.647 -0.063 1.00 23.30 C ATOM 1854 CE2 TYR A 110 1.611 -9.617 1.724 1.00 12.12 C ATOM 1855 CZ TYR A 110 1.073 -10.187 0.611 1.00 64.21 C ATOM 1856 OH TYR A 110 1.612 -11.348 0.152 1.00 75.44 O ATOM 0 H TYR A 110 1.629 -5.330 2.657 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.245 -5.210 0.339 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.476 -6.446 3.143 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.708 -6.526 1.900 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.382 -7.967 -0.093 1.00 65.35 H new ATOM 0 HD2 TYR A 110 1.450 -7.915 3.091 1.00 40.13 H new ATOM 0 HE1 TYR A 110 -0.375 -10.130 -0.943 1.00 23.30 H new ATOM 0 HE2 TYR A 110 2.446 -10.077 2.231 1.00 12.12 H new ATOM 0 HH TYR A 110 2.467 -11.160 -0.288 1.00 75.44 H new ATOM 1866 N MET A 111 -1.063 -3.073 1.189 1.00 11.54 N ATOM 1867 CA MET A 111 -1.687 -1.845 1.651 1.00 54.55 C ATOM 1868 C MET A 111 -2.985 -1.570 0.892 1.00 15.42 C ATOM 1869 O MET A 111 -3.054 -1.770 -0.321 1.00 64.01 O ATOM 1870 CB MET A 111 -0.721 -0.675 1.453 1.00 60.14 C ATOM 1871 CG MET A 111 0.694 -1.050 1.897 1.00 4.13 C ATOM 1872 SD MET A 111 1.695 0.419 2.055 1.00 11.21 S ATOM 1873 CE MET A 111 3.182 -0.129 1.234 1.00 41.54 C ATOM 0 H MET A 111 -0.940 -3.135 0.178 1.00 11.54 H new ATOM 0 HA MET A 111 -1.924 -1.956 2.709 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.711 -0.381 0.403 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.068 0.188 2.022 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.657 -1.579 2.850 1.00 4.13 H new ATOM 0 HG3 MET A 111 1.143 -1.730 1.173 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.050 0.324 1.713 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.256 -1.214 1.301 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.150 0.169 0.186 1.00 41.54 H new ATOM 1883 N VAL A 112 -3.984 -1.116 1.634 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.277 -0.812 1.046 1.00 51.41 C ATOM 1885 C VAL A 112 -5.542 0.691 1.157 1.00 34.21 C ATOM 1886 O VAL A 112 -5.549 1.243 2.256 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.365 -1.662 1.704 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.729 -0.975 1.612 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.415 -3.062 1.088 1.00 14.04 C ATOM 0 H VAL A 112 -3.924 -0.951 2.639 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.284 -1.066 -0.014 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.113 -1.768 2.759 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.484 -1.601 2.087 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.686 -0.011 2.118 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.990 -0.823 0.565 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.197 -3.646 1.574 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.630 -2.983 0.022 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.453 -3.556 1.228 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.755 1.309 0.005 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.021 2.737 -0.041 1.00 64.13 C ATOM 1901 C TYR A 113 -7.517 3.012 -0.196 1.00 45.34 C ATOM 1902 O TYR A 113 -8.246 2.199 -0.764 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.286 3.264 -1.274 1.00 30.31 C ATOM 1904 CG TYR A 113 -5.981 2.938 -2.598 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.068 3.683 -3.008 1.00 73.00 C ATOM 1906 CD2 TYR A 113 -5.520 1.900 -3.382 1.00 33.02 C ATOM 1907 CE1 TYR A 113 -7.722 3.376 -4.254 1.00 24.44 C ATOM 1908 CE2 TYR A 113 -6.173 1.593 -4.628 1.00 63.43 C ATOM 1909 CZ TYR A 113 -7.242 2.346 -5.002 1.00 23.23 C ATOM 1910 OH TYR A 113 -7.859 2.057 -6.180 1.00 43.21 O ATOM 0 H TYR A 113 -5.749 0.847 -0.904 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.690 3.218 0.879 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.181 4.345 -1.187 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.279 2.846 -1.291 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.428 4.496 -2.395 1.00 73.00 H new ATOM 0 HD2 TYR A 113 -4.669 1.318 -3.061 1.00 33.02 H new ATOM 0 HE1 TYR A 113 -8.574 3.950 -4.587 1.00 24.44 H new ATOM 0 HE2 TYR A 113 -5.822 0.784 -5.251 1.00 63.43 H new ATOM 0 HH TYR A 113 -7.997 2.883 -6.688 1.00 43.21 H new ATOM 1920 N ALA A 114 -7.933 4.160 0.318 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.331 4.552 0.243 1.00 1.44 C ATOM 1922 C ALA A 114 -9.474 6.003 0.704 1.00 2.12 C ATOM 1923 O ALA A 114 -8.489 6.640 1.076 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.177 3.589 1.077 1.00 12.02 C ATOM 0 H ALA A 114 -7.327 4.832 0.788 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.691 4.495 -0.784 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.225 3.883 1.021 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.063 2.576 0.690 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.847 3.620 2.115 1.00 12.02 H new ATOM 1930 N SER A 115 -10.707 6.484 0.665 1.00 54.31 N ATOM 1931 CA SER A 115 -10.993 7.849 1.074 1.00 61.52 C ATOM 1932 C SER A 115 -11.273 7.896 2.577 1.00 53.55 C ATOM 1933 O SER A 115 -11.944 8.807 3.059 1.00 63.34 O ATOM 1934 CB SER A 115 -12.178 8.421 0.295 1.00 1.23 C ATOM 1935 OG SER A 115 -12.407 9.794 0.603 1.00 60.44 O ATOM 0 H SER A 115 -11.521 5.953 0.356 1.00 54.31 H new ATOM 0 HA SER A 115 -10.119 8.462 0.854 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.994 8.315 -0.774 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.074 7.844 0.523 1.00 1.23 H new ATOM 0 HG SER A 115 -12.327 9.930 1.570 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.743 6.904 3.277 1.00 43.31 N ATOM 1942 CA GLN A 116 -10.928 6.821 4.716 1.00 53.23 C ATOM 1943 C GLN A 116 -9.669 6.261 5.382 1.00 50.42 C ATOM 1944 O GLN A 116 -9.202 5.179 5.024 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.155 5.974 5.064 1.00 2.11 C ATOM 1946 CG GLN A 116 -11.780 4.497 5.202 1.00 21.34 C ATOM 1947 CD GLN A 116 -13.025 3.609 5.158 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -14.036 4.059 5.896 1.00 62.34 O flip ATOM 1949 NE2 GLN A 116 -13.066 2.585 4.497 1.00 55.11 N flip ATOM 0 H GLN A 116 -10.185 6.151 2.875 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.101 7.827 5.098 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.595 6.330 5.996 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.913 6.090 4.289 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -11.099 4.214 4.399 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.249 4.339 6.141 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -12.253 2.297 3.952 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -13.913 2.017 4.489 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.155 7.022 6.337 1.00 13.30 N ATOM 1959 CA GLU A 117 -7.959 6.614 7.055 1.00 34.21 C ATOM 1960 C GLU A 117 -8.317 6.175 8.476 1.00 42.32 C ATOM 1961 O GLU A 117 -7.502 5.563 9.163 1.00 54.41 O ATOM 1962 CB GLU A 117 -6.921 7.740 7.074 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.302 7.890 8.464 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.238 8.990 8.474 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.592 9.237 7.445 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.093 9.598 9.603 1.00 14.44 O ATOM 0 H GLU A 117 -9.544 7.918 6.630 1.00 13.30 H new ATOM 0 HA GLU A 117 -7.517 5.765 6.534 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.139 7.531 6.344 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.391 8.678 6.778 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.081 8.126 9.189 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -5.856 6.944 8.771 1.00 44.23 H new ATOM 1974 N THR A 118 -9.537 6.505 8.873 1.00 32.30 N ATOM 1975 CA THR A 118 -10.012 6.152 10.200 1.00 34.24 C ATOM 1976 C THR A 118 -11.282 5.303 10.103 1.00 33.31 C ATOM 1977 O THR A 118 -12.210 5.473 10.892 1.00 43.32 O ATOM 1978 CB THR A 118 -10.207 7.446 10.993 1.00 61.45 C ATOM 1979 OG1 THR A 118 -10.223 8.464 9.996 1.00 2.53 O ATOM 1980 CG2 THR A 118 -8.994 7.790 11.858 1.00 11.22 C ATOM 0 H THR A 118 -10.211 7.013 8.299 1.00 32.30 H new ATOM 0 HA THR A 118 -9.285 5.536 10.729 1.00 34.24 H new ATOM 0 HB THR A 118 -11.090 7.355 11.626 1.00 61.45 H new ATOM 0 HG1 THR A 118 -10.347 9.338 10.422 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.184 8.717 12.400 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.814 6.984 12.570 1.00 11.22 H new ATOM 0 HG23 THR A 118 -8.117 7.915 11.222 1.00 11.22 H new ATOM 1988 N PHE A 119 -11.281 4.405 9.128 1.00 75.13 N ATOM 1989 CA PHE A 119 -12.421 3.529 8.917 1.00 65.24 C ATOM 1990 C PHE A 119 -13.191 3.307 10.222 1.00 62.50 C ATOM 1991 O PHE A 119 -14.209 3.953 10.463 1.00 23.21 O ATOM 1992 CB PHE A 119 -11.869 2.187 8.430 1.00 51.32 C ATOM 1993 CG PHE A 119 -10.353 2.050 8.571 1.00 24.22 C ATOM 1994 CD1 PHE A 119 -9.735 2.465 9.710 1.00 35.43 C ATOM 1995 CD2 PHE A 119 -9.621 1.514 7.558 1.00 71.14 C ATOM 1996 CE1 PHE A 119 -8.327 2.337 9.841 1.00 64.44 C ATOM 1997 CE2 PHE A 119 -8.213 1.386 7.689 1.00 72.22 C ATOM 1998 CZ PHE A 119 -7.595 1.801 8.828 1.00 71.41 C ATOM 0 H PHE A 119 -10.509 4.265 8.476 1.00 75.13 H new ATOM 0 HA PHE A 119 -13.104 3.975 8.194 1.00 65.24 H new ATOM 0 HB2 PHE A 119 -12.350 1.384 8.989 1.00 51.32 H new ATOM 0 HB3 PHE A 119 -12.140 2.053 7.383 1.00 51.32 H new ATOM 0 HD1 PHE A 119 -10.316 2.892 10.514 1.00 35.43 H new ATOM 0 HD2 PHE A 119 -10.111 1.185 6.653 1.00 71.14 H new ATOM 0 HE1 PHE A 119 -7.837 2.666 10.746 1.00 64.44 H new ATOM 0 HE2 PHE A 119 -7.632 0.959 6.885 1.00 72.22 H new ATOM 0 HZ PHE A 119 -6.524 1.705 8.927 1.00 71.41 H new ATOM 2008 N GLY A 120 -12.674 2.391 11.027 1.00 23.42 N ATOM 2009 CA GLY A 120 -13.300 2.076 12.300 1.00 75.54 C ATOM 2010 C GLY A 120 -13.882 3.332 12.951 1.00 62.20 C ATOM 2011 O GLY A 120 -14.338 3.289 14.092 1.00 22.03 O ATOM 0 H GLY A 120 -11.829 1.857 10.823 1.00 23.42 H new ATOM 0 HA2 GLY A 120 -14.091 1.341 12.148 1.00 75.54 H new ATOM 0 HA3 GLY A 120 -12.567 1.623 12.967 1.00 75.54 H new TER 2015 GLY A 120 ATOM 2016 N MET B 331 5.740 -4.675 -25.992 1.00 41.43 N ATOM 2017 CA MET B 331 6.832 -5.230 -25.210 1.00 14.21 C ATOM 2018 C MET B 331 6.392 -6.499 -24.478 1.00 62.23 C ATOM 2019 O MET B 331 6.269 -6.504 -23.254 1.00 54.13 O ATOM 2020 CB MET B 331 7.309 -4.193 -24.191 1.00 42.31 C ATOM 2021 CG MET B 331 8.795 -4.379 -23.875 1.00 43.21 C ATOM 2022 SD MET B 331 8.995 -5.585 -22.574 1.00 31.54 S ATOM 2023 CE MET B 331 8.820 -4.531 -21.143 1.00 4.21 C ATOM 0 HA MET B 331 7.646 -5.487 -25.888 1.00 14.21 H new ATOM 0 HB2 MET B 331 7.139 -3.189 -24.581 1.00 42.31 H new ATOM 0 HB3 MET B 331 6.725 -4.282 -23.275 1.00 42.31 H new ATOM 0 HG2 MET B 331 9.328 -4.704 -24.769 1.00 43.21 H new ATOM 0 HG3 MET B 331 9.233 -3.428 -23.571 1.00 43.21 H new ATOM 0 HE1 MET B 331 8.919 -5.128 -20.237 1.00 4.21 H new ATOM 0 HE2 MET B 331 9.595 -3.764 -21.159 1.00 4.21 H new ATOM 0 HE3 MET B 331 7.839 -4.056 -21.159 1.00 4.21 H new ATOM 2034 N SER B 332 6.165 -7.546 -25.258 1.00 34.14 N ATOM 2035 CA SER B 332 5.741 -8.818 -24.700 1.00 51.00 C ATOM 2036 C SER B 332 6.666 -9.218 -23.548 1.00 31.33 C ATOM 2037 O SER B 332 7.608 -8.497 -23.224 1.00 65.52 O ATOM 2038 CB SER B 332 5.722 -9.911 -25.770 1.00 43.13 C ATOM 2039 OG SER B 332 4.453 -10.011 -26.409 1.00 61.41 O ATOM 0 H SER B 332 6.267 -7.539 -26.273 1.00 34.14 H new ATOM 0 HA SER B 332 4.726 -8.703 -24.320 1.00 51.00 H new ATOM 0 HB2 SER B 332 6.488 -9.701 -26.516 1.00 43.13 H new ATOM 0 HB3 SER B 332 5.975 -10.868 -25.315 1.00 43.13 H new ATOM 0 HG SER B 332 4.483 -10.719 -27.086 1.00 61.41 H new ATOM 2045 N GLY B 333 6.366 -10.368 -22.962 1.00 3.32 N ATOM 2046 CA GLY B 333 7.159 -10.873 -21.854 1.00 43.01 C ATOM 2047 C GLY B 333 6.294 -11.075 -20.608 1.00 10.30 C ATOM 2048 O GLY B 333 5.716 -12.143 -20.415 1.00 23.54 O ATOM 0 H GLY B 333 5.585 -10.965 -23.234 1.00 3.32 H new ATOM 0 HA2 GLY B 333 7.624 -11.818 -22.136 1.00 43.01 H new ATOM 0 HA3 GLY B 333 7.966 -10.175 -21.632 1.00 43.01 H new ATOM 2052 N GLY B 334 6.231 -10.030 -19.795 1.00 31.32 N ATOM 2053 CA GLY B 334 5.447 -10.079 -18.573 1.00 53.43 C ATOM 2054 C GLY B 334 5.590 -8.780 -17.778 1.00 13.31 C ATOM 2055 O GLY B 334 5.866 -7.725 -18.348 1.00 50.55 O ATOM 0 H GLY B 334 6.710 -9.145 -19.959 1.00 31.32 H new ATOM 0 HA2 GLY B 334 4.398 -10.247 -18.816 1.00 53.43 H new ATOM 0 HA3 GLY B 334 5.772 -10.921 -17.962 1.00 53.43 H new ATOM 2059 N ASP B 335 5.394 -8.898 -16.473 1.00 5.13 N ATOM 2060 CA ASP B 335 5.498 -7.746 -15.593 1.00 5.01 C ATOM 2061 C ASP B 335 6.897 -7.703 -14.978 1.00 71.13 C ATOM 2062 O ASP B 335 7.042 -7.634 -13.759 1.00 10.34 O ATOM 2063 CB ASP B 335 4.481 -7.831 -14.452 1.00 53.42 C ATOM 2064 CG ASP B 335 3.023 -7.968 -14.893 1.00 1.34 C ATOM 2065 OD1 ASP B 335 2.502 -9.083 -15.042 1.00 41.32 O ATOM 2066 OD2 ASP B 335 2.407 -6.853 -15.090 1.00 4.34 O ATOM 0 H ASP B 335 5.164 -9.774 -16.004 1.00 5.13 H new ATOM 0 HA ASP B 335 5.303 -6.851 -16.184 1.00 5.01 H new ATOM 0 HB2 ASP B 335 4.736 -8.683 -13.822 1.00 53.42 H new ATOM 0 HB3 ASP B 335 4.575 -6.938 -13.834 1.00 53.42 H new ATOM 2072 N ASP B 336 7.894 -7.747 -15.849 1.00 54.12 N ATOM 2073 CA ASP B 336 9.278 -7.715 -15.408 1.00 73.32 C ATOM 2074 C ASP B 336 9.478 -6.528 -14.463 1.00 13.01 C ATOM 2075 O ASP B 336 10.036 -6.682 -13.377 1.00 45.13 O ATOM 2076 CB ASP B 336 10.231 -7.542 -16.592 1.00 42.24 C ATOM 2077 CG ASP B 336 9.717 -6.629 -17.707 1.00 61.12 C ATOM 2078 OD1 ASP B 336 9.519 -5.422 -17.504 1.00 34.03 O ATOM 2079 OD2 ASP B 336 9.516 -7.212 -18.840 1.00 11.32 O ATOM 0 H ASP B 336 7.771 -7.805 -16.860 1.00 54.12 H new ATOM 0 HA ASP B 336 9.495 -8.659 -14.907 1.00 73.32 H new ATOM 0 HB2 ASP B 336 11.176 -7.143 -16.223 1.00 42.24 H new ATOM 0 HB3 ASP B 336 10.443 -8.524 -17.015 1.00 42.24 H new ATOM 2085 N ASP B 337 9.013 -5.372 -14.910 1.00 34.41 N ATOM 2086 CA ASP B 337 9.134 -4.159 -14.117 1.00 41.12 C ATOM 2087 C ASP B 337 7.738 -3.642 -13.768 1.00 44.23 C ATOM 2088 O ASP B 337 7.014 -3.160 -14.638 1.00 22.34 O ATOM 2089 CB ASP B 337 9.864 -3.063 -14.896 1.00 74.41 C ATOM 2090 CG ASP B 337 11.360 -3.304 -15.103 1.00 74.24 C ATOM 2091 OD1 ASP B 337 11.814 -4.453 -15.204 1.00 11.21 O ATOM 2092 OD2 ASP B 337 12.081 -2.235 -15.163 1.00 24.22 O ATOM 0 H ASP B 337 8.551 -5.248 -15.811 1.00 34.41 H new ATOM 0 HA ASP B 337 9.700 -4.399 -13.217 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.390 -2.955 -15.872 1.00 74.41 H new ATOM 0 HB3 ASP B 337 9.733 -2.117 -14.371 1.00 74.41 H new ATOM 2098 N TRP B 338 7.400 -3.758 -12.491 1.00 31.21 N ATOM 2099 CA TRP B 338 6.104 -3.308 -12.016 1.00 33.50 C ATOM 2100 C TRP B 338 5.927 -1.847 -12.435 1.00 43.13 C ATOM 2101 O TRP B 338 5.241 -1.556 -13.412 1.00 24.04 O ATOM 2102 CB TRP B 338 5.970 -3.518 -10.506 1.00 13.13 C ATOM 2103 CG TRP B 338 6.292 -4.939 -10.045 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.460 -6.034 -10.799 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.480 -5.380 -8.683 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.741 -7.143 -10.028 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.755 -6.732 -8.700 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.422 -4.659 -7.477 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.990 -7.482 -7.541 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.661 -5.422 -6.328 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.938 -6.784 -6.327 1.00 22.23 C ATOM 0 H TRP B 338 8.003 -4.158 -11.771 1.00 31.21 H new ATOM 0 HA TRP B 338 5.304 -3.897 -12.464 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.633 -2.821 -9.992 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.952 -3.271 -10.204 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.385 -6.047 -11.876 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.908 -8.090 -10.369 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.210 -3.601 -7.440 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.200 -8.541 -7.581 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.628 -4.916 -5.374 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.112 -7.302 -5.395 1.00 22.23 H new ATOM 2122 N THR B 339 6.559 -0.965 -11.672 1.00 11.15 N ATOM 2123 CA THR B 339 6.481 0.458 -11.952 1.00 63.24 C ATOM 2124 C THR B 339 7.671 1.189 -11.327 1.00 75.25 C ATOM 2125 O THR B 339 8.618 0.558 -10.862 1.00 55.55 O ATOM 2126 CB THR B 339 5.126 0.964 -11.453 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.731 1.921 -12.432 1.00 20.42 O ATOM 2128 CG2 THR B 339 5.244 1.778 -10.162 1.00 73.05 C ATOM 0 H THR B 339 7.127 -1.210 -10.861 1.00 11.15 H new ATOM 0 HA THR B 339 6.543 0.656 -13.022 1.00 63.24 H new ATOM 0 HB THR B 339 4.460 0.117 -11.288 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.509 1.461 -13.268 1.00 20.42 H new ATOM 0 HG21 THR B 339 4.254 2.113 -9.851 1.00 73.05 H new ATOM 0 HG22 THR B 339 5.679 1.157 -9.379 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.882 2.644 -10.335 1.00 73.05 H new ATOM 2136 N HIS B 340 7.583 2.512 -11.337 1.00 23.10 N ATOM 2137 CA HIS B 340 8.640 3.337 -10.776 1.00 53.35 C ATOM 2138 C HIS B 340 8.024 4.499 -9.995 1.00 55.35 C ATOM 2139 O HIS B 340 7.323 5.333 -10.565 1.00 75.31 O ATOM 2140 CB HIS B 340 9.602 3.802 -11.871 1.00 52.13 C ATOM 2141 CG HIS B 340 9.172 3.425 -13.269 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.521 2.225 -13.863 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.418 4.102 -14.182 1.00 35.32 C ATOM 2144 CE1 HIS B 340 8.996 2.192 -15.079 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.313 3.357 -15.275 1.00 32.50 N ATOM 0 H HIS B 340 6.796 3.032 -11.725 1.00 23.10 H new ATOM 0 HA HIS B 340 9.234 2.749 -10.076 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.705 4.886 -11.814 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.587 3.378 -11.678 1.00 52.13 H new ATOM 0 HD2 HIS B 340 7.980 5.079 -14.039 1.00 35.32 H new ATOM 0 HE1 HIS B 340 9.092 1.385 -15.790 1.00 52.42 H new ATOM 0 HE2 HIS B 340 7.805 3.613 -16.122 1.00 32.50 H new ATOM 2153 N LEU B 341 8.308 4.516 -8.701 1.00 42.45 N ATOM 2154 CA LEU B 341 7.792 5.561 -7.835 1.00 42.21 C ATOM 2155 C LEU B 341 8.824 6.685 -7.728 1.00 60.12 C ATOM 2156 O LEU B 341 9.616 6.718 -6.786 1.00 1.40 O ATOM 2157 CB LEU B 341 7.373 4.980 -6.483 1.00 45.14 C ATOM 2158 CG LEU B 341 6.570 3.679 -6.533 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.874 3.413 -5.196 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.582 3.689 -7.701 1.00 55.44 C ATOM 0 H LEU B 341 8.889 3.822 -8.232 1.00 42.45 H new ATOM 0 HA LEU B 341 6.889 5.997 -8.262 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.271 4.807 -5.890 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.782 5.729 -5.955 1.00 45.14 H new ATOM 0 HG LEU B 341 7.263 2.856 -6.705 1.00 73.23 H new ATOM 0 HD11 LEU B 341 5.310 2.482 -5.258 1.00 65.35 H new ATOM 0 HD12 LEU B 341 6.621 3.332 -4.407 1.00 65.35 H new ATOM 0 HD13 LEU B 341 5.194 4.235 -4.970 1.00 65.35 H new ATOM 0 HD21 LEU B 341 5.024 2.753 -7.714 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.889 4.523 -7.585 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.128 3.799 -8.638 1.00 55.44 H new ATOM 2172 N SER B 342 8.784 7.579 -8.705 1.00 53.43 N ATOM 2173 CA SER B 342 9.705 8.702 -8.732 1.00 62.22 C ATOM 2174 C SER B 342 9.161 9.847 -7.877 1.00 15.10 C ATOM 2175 O SER B 342 7.973 10.163 -7.941 1.00 21.54 O ATOM 2176 CB SER B 342 9.950 9.178 -10.165 1.00 33.03 C ATOM 2177 OG SER B 342 9.820 8.119 -11.110 1.00 21.10 O ATOM 0 H SER B 342 8.127 7.548 -9.485 1.00 53.43 H new ATOM 0 HA SER B 342 10.658 8.372 -8.319 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.243 9.971 -10.409 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.949 9.608 -10.238 1.00 33.03 H new ATOM 0 HG SER B 342 9.982 8.464 -12.013 1.00 21.10 H new ATOM 2183 N SER B 343 10.054 10.438 -7.098 1.00 0.25 N ATOM 2184 CA SER B 343 9.678 11.543 -6.232 1.00 53.03 C ATOM 2185 C SER B 343 9.878 12.873 -6.962 1.00 5.52 C ATOM 2186 O SER B 343 9.772 13.939 -6.358 1.00 30.55 O ATOM 2187 CB SER B 343 10.485 11.524 -4.933 1.00 24.32 C ATOM 2188 OG SER B 343 11.486 12.538 -4.911 1.00 14.53 O ATOM 0 H SER B 343 11.038 10.173 -7.048 1.00 0.25 H new ATOM 0 HA SER B 343 8.624 11.432 -5.975 1.00 53.03 H new ATOM 0 HB2 SER B 343 9.812 11.660 -4.086 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.955 10.548 -4.813 1.00 24.32 H new ATOM 0 HG SER B 343 11.978 12.494 -4.065 1.00 14.53 H new ATOM 2194 N LYS B 344 10.164 12.766 -8.251 1.00 41.31 N ATOM 2195 CA LYS B 344 10.381 13.946 -9.071 1.00 25.42 C ATOM 2196 C LYS B 344 9.119 14.235 -9.885 1.00 71.41 C ATOM 2197 O LYS B 344 8.800 15.392 -10.154 1.00 5.30 O ATOM 2198 CB LYS B 344 11.641 13.784 -9.924 1.00 31.02 C ATOM 2199 CG LYS B 344 11.761 12.353 -10.455 1.00 5.42 C ATOM 2200 CD LYS B 344 12.610 11.490 -9.519 1.00 64.43 C ATOM 2201 CE LYS B 344 13.995 12.106 -9.311 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.983 11.058 -8.972 1.00 22.20 N ATOM 0 H LYS B 344 10.251 11.880 -8.748 1.00 41.31 H new ATOM 0 HA LYS B 344 10.562 14.818 -8.442 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.613 14.485 -10.759 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.521 14.031 -9.330 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.768 11.915 -10.558 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.208 12.366 -11.449 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.106 11.386 -8.558 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.713 10.488 -9.936 1.00 64.43 H new ATOM 0 HE2 LYS B 344 14.306 12.629 -10.215 1.00 14.43 H new ATOM 0 HE3 LYS B 344 13.954 12.847 -8.513 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 15.917 11.493 -8.834 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 14.693 10.577 -8.097 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 15.034 10.366 -9.746 1.00 22.20 H new ATOM 2215 N GLU B 345 8.434 13.163 -10.256 1.00 53.15 N ATOM 2216 CA GLU B 345 7.215 13.286 -11.035 1.00 4.44 C ATOM 2217 C GLU B 345 6.048 13.695 -10.133 1.00 23.22 C ATOM 2218 O GLU B 345 4.980 14.061 -10.622 1.00 21.12 O ATOM 2219 CB GLU B 345 6.904 11.985 -11.777 1.00 53.02 C ATOM 2220 CG GLU B 345 8.148 11.448 -12.488 1.00 14.22 C ATOM 2221 CD GLU B 345 8.248 12.000 -13.911 1.00 0.42 C ATOM 2222 OE1 GLU B 345 9.355 12.285 -14.390 1.00 61.52 O ATOM 2223 OE2 GLU B 345 7.120 12.128 -14.527 1.00 24.43 O ATOM 0 H GLU B 345 8.701 12.205 -10.031 1.00 53.15 H new ATOM 0 HA GLU B 345 7.362 14.065 -11.783 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.533 11.240 -11.073 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.111 12.158 -12.505 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.040 11.722 -11.924 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.112 10.359 -12.518 1.00 14.22 H new ATOM 2231 N VAL B 346 6.292 13.618 -8.834 1.00 4.42 N ATOM 2232 CA VAL B 346 5.275 13.976 -7.859 1.00 33.24 C ATOM 2233 C VAL B 346 4.893 15.447 -8.043 1.00 64.22 C ATOM 2234 O VAL B 346 5.293 16.078 -9.020 1.00 4.44 O ATOM 2235 CB VAL B 346 5.769 13.659 -6.446 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.093 12.171 -6.300 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.980 14.521 -6.082 1.00 13.23 C ATOM 0 H VAL B 346 7.179 13.313 -8.433 1.00 4.42 H new ATOM 0 HA VAL B 346 4.373 13.384 -8.014 1.00 33.24 H new ATOM 0 HB VAL B 346 4.966 13.898 -5.749 1.00 73.12 H new ATOM 0 HG11 VAL B 346 6.442 11.972 -5.287 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.197 11.582 -6.497 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.871 11.897 -7.012 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.311 14.276 -5.073 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.789 14.328 -6.786 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.704 15.574 -6.127 1.00 13.23 H new ATOM 2247 N ASP B 347 4.123 15.949 -7.089 1.00 64.45 N ATOM 2248 CA ASP B 347 3.683 17.333 -7.133 1.00 13.23 C ATOM 2249 C ASP B 347 4.304 18.098 -5.963 1.00 41.10 C ATOM 2250 O ASP B 347 4.765 17.495 -4.996 1.00 60.02 O ATOM 2251 CB ASP B 347 2.162 17.431 -7.008 1.00 11.14 C ATOM 2252 CG ASP B 347 1.574 18.808 -7.322 1.00 55.41 C ATOM 2253 OD1 ASP B 347 1.765 19.772 -6.565 1.00 44.22 O ATOM 2254 OD2 ASP B 347 0.886 18.872 -8.412 1.00 54.24 O ATOM 0 H ASP B 347 3.792 15.422 -6.281 1.00 64.45 H new ATOM 0 HA ASP B 347 3.994 17.756 -8.088 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.710 16.699 -7.677 1.00 11.14 H new ATOM 0 HB3 ASP B 347 1.878 17.154 -5.993 1.00 11.14 H new TER 2260 ASP B 347