USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 983 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 49 LYS NZ :NH3+ 156:sc= 1.03 (180deg=-0.491) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.0218 K(o=1,f=-0.66) USER MOD Set 2.1: A 52 GLN : amide:sc= 2.09 K(o=3.3,f=-1.5) USER MOD Set 2.2: A 116 THR OG1 : rot -137:sc= 1.23 USER MOD Set 3.1: A 47 LYS NZ :NH3+ -161:sc= 0.109 (180deg=-1.54!) USER MOD Set 3.2: A 115 GLN : amide:sc= 1.49 K(o=1.6,f=-12!) USER MOD Set 4.1: A 37 GLN : amide:sc= 1.86 K(o=3.7,f=0.51) USER MOD Set 4.2: A 107 THR OG1 : rot 70:sc= 1.81 USER MOD Set 5.1: A 70 GLN : amide:sc= 1.24 K(o=2,f=0.88) USER MOD Set 5.2: A 94 GLN : amide:sc= 0.742 K(o=2,f=0.88) USER MOD Set 6.1: A 21 GLN : amide:sc= 0.736 K(o=1.8,f=-0.92) USER MOD Set 6.2: A 24 HIS : no HE2:sc= 1.02 K(o=1.8,f=-5.8!) USER MOD Single : A 1 GLN : amide:sc= -0.0424 X(o=-0.042,f=-0.16) USER MOD Single : A 1 GLN N :NH3+ -124:sc= 0.0852 (180deg=-0.209) USER MOD Single : A 3 HIS : no HD1:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= 0.269 (180deg=0.206) USER MOD Single : A 12 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.19) USER MOD Single : A 16 HIS : no HE2:sc= 0.00101 K(o=0.001,f=-1.6) USER MOD Single : A 23 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.57) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.88! C(o=-3.9!,f=-5.9!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.5!) USER MOD Single : A 39 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.21) USER MOD Single : A 44 ASN : amide:sc= -0.0836 K(o=-0.084,f=-2.3!) USER MOD Single : A 46 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.3!) USER MOD Single : A 48 SER OG : rot 161:sc= -2.15! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 10:sc= -2.36! USER MOD Single : A 65 MET CE :methyl -106:sc= -0.39 (180deg=-1.49) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -29:sc= 0.654 USER MOD Single : A 83 ASN : amide:sc= 0.266 K(o=0.27,f=-7!) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 58:sc= 1.19 USER MOD Single : A 97 SER OG : rot 64:sc= 1.29 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 150:sc= 0.659 (180deg=-0.906!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 110 LYS NZ :NH3+ -156:sc= 1.23 (180deg=1.13) USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 32.705 22.646 -6.789 1.00 0.00 N ATOM 2 CA GLN A 1 32.102 21.605 -7.642 1.00 0.00 C ATOM 3 C GLN A 1 31.485 22.232 -8.879 1.00 0.00 C ATOM 4 O GLN A 1 31.344 23.455 -8.951 1.00 0.00 O ATOM 5 CB GLN A 1 31.035 20.828 -6.865 1.00 0.00 C ATOM 6 CG GLN A 1 31.582 20.034 -5.692 1.00 0.00 C ATOM 7 CD GLN A 1 32.462 18.888 -6.130 1.00 0.00 C ATOM 8 OE1 GLN A 1 33.671 19.047 -6.304 1.00 0.00 O ATOM 9 NE2 GLN A 1 31.867 17.728 -6.300 1.00 0.00 N ATOM 0 H1 GLN A 1 33.707 22.422 -6.624 1.00 0.00 H new ATOM 0 H2 GLN A 1 32.630 23.569 -7.262 1.00 0.00 H new ATOM 0 H3 GLN A 1 32.204 22.682 -5.878 1.00 0.00 H new ATOM 0 HA GLN A 1 32.887 20.913 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 1 30.285 21.529 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 1 30.528 20.146 -7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 1 32.152 20.698 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 1 30.752 19.646 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 1 30.863 17.642 -6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 1 32.410 16.914 -6.587 1.00 0.00 H new ATOM 18 N GLU A 2 31.128 21.409 -9.850 1.00 0.00 N ATOM 19 CA GLU A 2 30.535 21.906 -11.080 1.00 0.00 C ATOM 20 C GLU A 2 29.015 21.858 -11.013 1.00 0.00 C ATOM 21 O GLU A 2 28.359 22.879 -10.822 1.00 0.00 O ATOM 22 CB GLU A 2 31.027 21.107 -12.291 1.00 0.00 C ATOM 23 CG GLU A 2 30.454 21.595 -13.616 1.00 0.00 C ATOM 24 CD GLU A 2 30.843 20.717 -14.780 1.00 0.00 C ATOM 25 OE1 GLU A 2 31.992 20.828 -15.249 1.00 0.00 O ATOM 26 OE2 GLU A 2 30.003 19.906 -15.232 1.00 0.00 O ATOM 0 H GLU A 2 31.238 20.396 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 2 30.847 22.944 -11.196 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.115 21.160 -12.333 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.764 20.058 -12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.367 21.635 -13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.798 22.612 -13.803 1.00 0.00 H new ATOM 33 N HIS A 3 28.458 20.666 -11.140 1.00 0.00 N ATOM 34 CA HIS A 3 27.023 20.512 -11.166 1.00 0.00 C ATOM 35 C HIS A 3 26.528 19.801 -9.919 1.00 0.00 C ATOM 36 O HIS A 3 26.166 18.626 -9.970 1.00 0.00 O ATOM 37 CB HIS A 3 26.586 19.766 -12.440 1.00 0.00 C ATOM 38 CG HIS A 3 25.100 19.675 -12.638 1.00 0.00 C ATOM 39 ND1 HIS A 3 24.384 20.584 -13.378 1.00 0.00 N ATOM 40 CD2 HIS A 3 24.196 18.761 -12.202 1.00 0.00 C ATOM 41 CE1 HIS A 3 23.115 20.239 -13.390 1.00 0.00 C ATOM 42 NE2 HIS A 3 22.972 19.137 -12.687 1.00 0.00 N ATOM 0 H HIS A 3 28.981 19.795 -11.226 1.00 0.00 H new ATOM 0 HA HIS A 3 26.572 21.504 -11.180 1.00 0.00 H new ATOM 0 HB2 HIS A 3 27.024 20.265 -13.305 1.00 0.00 H new ATOM 0 HB3 HIS A 3 26.997 18.757 -12.412 1.00 0.00 H new ATOM 0 HD2 HIS A 3 24.404 17.898 -11.587 1.00 0.00 H new ATOM 0 HE1 HIS A 3 22.322 20.772 -13.894 1.00 0.00 H new ATOM 0 HE2 HIS A 3 22.094 18.643 -12.529 1.00 0.00 H new ATOM 51 N LYS A 4 26.612 20.499 -8.781 1.00 0.00 N ATOM 52 CA LYS A 4 26.051 19.974 -7.527 1.00 0.00 C ATOM 53 C LYS A 4 24.674 19.366 -7.758 1.00 0.00 C ATOM 54 O LYS A 4 23.768 20.005 -8.291 1.00 0.00 O ATOM 55 CB LYS A 4 25.905 21.100 -6.505 1.00 0.00 C ATOM 56 CG LYS A 4 27.213 21.743 -6.070 1.00 0.00 C ATOM 57 CD LYS A 4 27.907 20.926 -4.996 1.00 0.00 C ATOM 58 CE LYS A 4 27.109 20.919 -3.698 1.00 0.00 C ATOM 59 NZ LYS A 4 27.802 20.176 -2.624 1.00 0.00 N ATOM 0 H LYS A 4 27.055 21.414 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 4 26.733 19.208 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 4 25.260 21.871 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 4 25.399 20.707 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 4 27.872 21.847 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 4 27.018 22.748 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 4 28.043 19.903 -5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 4 28.901 21.334 -4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 4 26.935 21.945 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 4 26.132 20.471 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 27.224 20.196 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 27.946 19.190 -2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 28.724 20.618 -2.435 1.00 0.00 H new ATOM 73 N PRO A 5 24.535 18.097 -7.362 1.00 0.00 N ATOM 74 CA PRO A 5 23.329 17.298 -7.585 1.00 0.00 C ATOM 75 C PRO A 5 22.087 17.849 -6.909 1.00 0.00 C ATOM 76 O PRO A 5 22.154 18.556 -5.901 1.00 0.00 O ATOM 77 CB PRO A 5 23.689 15.935 -6.982 1.00 0.00 C ATOM 78 CG PRO A 5 24.774 16.238 -6.017 1.00 0.00 C ATOM 79 CD PRO A 5 25.566 17.325 -6.646 1.00 0.00 C ATOM 0 HA PRO A 5 23.072 17.277 -8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 5 22.831 15.480 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 5 24.022 15.236 -7.749 1.00 0.00 H new ATOM 0 HG2 PRO A 5 24.369 16.553 -5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.391 15.359 -5.830 1.00 0.00 H new ATOM 0 HD2 PRO A 5 26.084 17.931 -5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 5 26.325 16.934 -7.324 1.00 0.00 H new ATOM 87 N LYS A 6 20.960 17.525 -7.501 1.00 0.00 N ATOM 88 CA LYS A 6 19.661 17.864 -6.982 1.00 0.00 C ATOM 89 C LYS A 6 18.725 16.711 -7.292 1.00 0.00 C ATOM 90 O LYS A 6 19.092 15.802 -8.040 1.00 0.00 O ATOM 91 CB LYS A 6 19.145 19.144 -7.630 1.00 0.00 C ATOM 92 CG LYS A 6 19.008 19.056 -9.143 1.00 0.00 C ATOM 93 CD LYS A 6 18.483 20.351 -9.729 1.00 0.00 C ATOM 94 CE LYS A 6 19.387 21.517 -9.379 1.00 0.00 C ATOM 95 NZ LYS A 6 18.968 22.762 -10.062 1.00 0.00 N ATOM 0 H LYS A 6 20.924 17.006 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 6 19.718 18.033 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.174 19.391 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.821 19.963 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.977 18.822 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.334 18.239 -9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.407 20.259 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.477 20.542 -9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.377 21.673 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.413 21.278 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.610 23.536 -9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.001 22.621 -11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.998 23.005 -9.777 1.00 0.00 H new ATOM 109 N LYS A 7 17.542 16.726 -6.743 1.00 0.00 N ATOM 110 CA LYS A 7 16.600 15.672 -7.020 1.00 0.00 C ATOM 111 C LYS A 7 15.288 16.255 -7.497 1.00 0.00 C ATOM 112 O LYS A 7 14.969 17.408 -7.206 1.00 0.00 O ATOM 113 CB LYS A 7 16.377 14.786 -5.787 1.00 0.00 C ATOM 114 CG LYS A 7 15.694 13.448 -6.094 1.00 0.00 C ATOM 115 CD LYS A 7 16.704 12.304 -6.248 1.00 0.00 C ATOM 116 CE LYS A 7 17.702 12.530 -7.389 1.00 0.00 C ATOM 117 NZ LYS A 7 17.085 12.364 -8.735 1.00 0.00 N ATOM 0 H LYS A 7 17.207 17.449 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 7 17.016 15.046 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.340 14.591 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.772 15.333 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.994 13.207 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.111 13.541 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.252 12.183 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.165 11.373 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.120 13.533 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.531 11.830 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.722 12.752 -9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.924 11.353 -8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.177 12.870 -8.765 1.00 0.00 H new ATOM 131 N ASP A 8 14.556 15.462 -8.257 1.00 0.00 N ATOM 132 CA ASP A 8 13.261 15.845 -8.786 1.00 0.00 C ATOM 133 C ASP A 8 12.344 16.255 -7.656 1.00 0.00 C ATOM 134 O ASP A 8 12.252 15.557 -6.646 1.00 0.00 O ATOM 135 CB ASP A 8 12.648 14.656 -9.528 1.00 0.00 C ATOM 136 CG ASP A 8 13.620 14.013 -10.489 1.00 0.00 C ATOM 137 OD1 ASP A 8 14.520 13.269 -10.018 1.00 0.00 O ATOM 138 OD2 ASP A 8 13.499 14.240 -11.708 1.00 0.00 O ATOM 0 H ASP A 8 14.848 14.523 -8.527 1.00 0.00 H new ATOM 0 HA ASP A 8 13.386 16.685 -9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.312 13.913 -8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.766 14.989 -10.076 1.00 0.00 H new ATOM 143 N ASP A 9 11.647 17.364 -7.825 1.00 0.00 N ATOM 144 CA ASP A 9 10.755 17.873 -6.788 1.00 0.00 C ATOM 145 C ASP A 9 9.428 17.137 -6.827 1.00 0.00 C ATOM 146 O ASP A 9 8.553 17.359 -5.996 1.00 0.00 O ATOM 147 CB ASP A 9 10.528 19.377 -6.975 1.00 0.00 C ATOM 148 CG ASP A 9 9.946 19.713 -8.335 1.00 0.00 C ATOM 149 OD1 ASP A 9 10.733 19.937 -9.285 1.00 0.00 O ATOM 150 OD2 ASP A 9 8.716 19.752 -8.469 1.00 0.00 O ATOM 0 H ASP A 9 11.679 17.933 -8.671 1.00 0.00 H new ATOM 0 HA ASP A 9 11.220 17.706 -5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.856 19.739 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.475 19.902 -6.849 1.00 0.00 H new ATOM 155 N PHE A 10 9.284 16.268 -7.813 1.00 0.00 N ATOM 156 CA PHE A 10 8.092 15.453 -7.949 1.00 0.00 C ATOM 157 C PHE A 10 8.192 14.229 -7.035 1.00 0.00 C ATOM 158 O PHE A 10 7.238 13.474 -6.874 1.00 0.00 O ATOM 159 CB PHE A 10 7.911 15.024 -9.420 1.00 0.00 C ATOM 160 CG PHE A 10 6.696 14.168 -9.669 1.00 0.00 C ATOM 161 CD1 PHE A 10 5.423 14.710 -9.595 1.00 0.00 C ATOM 162 CD2 PHE A 10 6.830 12.822 -9.972 1.00 0.00 C ATOM 163 CE1 PHE A 10 4.307 13.927 -9.818 1.00 0.00 C ATOM 164 CE2 PHE A 10 5.718 12.035 -10.197 1.00 0.00 C ATOM 165 CZ PHE A 10 4.455 12.588 -10.118 1.00 0.00 C ATOM 0 H PHE A 10 9.985 16.109 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 10 7.221 16.037 -7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.846 15.917 -10.042 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.798 14.477 -9.739 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.302 15.757 -9.360 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.815 12.384 -10.033 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.320 14.362 -9.758 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.836 10.988 -10.435 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.584 11.973 -10.291 1.00 0.00 H new ATOM 175 N ARG A 11 9.344 14.070 -6.413 1.00 0.00 N ATOM 176 CA ARG A 11 9.587 12.934 -5.544 1.00 0.00 C ATOM 177 C ARG A 11 9.782 13.376 -4.109 1.00 0.00 C ATOM 178 O ARG A 11 9.708 14.562 -3.800 1.00 0.00 O ATOM 179 CB ARG A 11 10.801 12.124 -6.007 1.00 0.00 C ATOM 180 CG ARG A 11 10.598 11.395 -7.321 1.00 0.00 C ATOM 181 CD ARG A 11 11.729 10.413 -7.580 1.00 0.00 C ATOM 182 NE ARG A 11 11.781 9.353 -6.565 1.00 0.00 N ATOM 183 CZ ARG A 11 12.891 8.700 -6.209 1.00 0.00 C ATOM 184 NH1 ARG A 11 14.051 9.004 -6.772 1.00 0.00 N ATOM 185 NH2 ARG A 11 12.833 7.744 -5.289 1.00 0.00 N ATOM 0 H ARG A 11 10.130 14.716 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 11 8.705 12.296 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 11 11.655 12.794 -6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.053 11.396 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.647 10.863 -7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.544 12.116 -8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.602 9.965 -8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.678 10.949 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 11 10.910 9.098 -6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.098 9.738 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.897 8.504 -6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.941 7.508 -4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.680 7.246 -5.017 1.00 0.00 H new ATOM 199 N ASN A 12 10.026 12.410 -3.244 1.00 0.00 N ATOM 200 CA ASN A 12 10.215 12.665 -1.825 1.00 0.00 C ATOM 201 C ASN A 12 11.505 13.441 -1.559 1.00 0.00 C ATOM 202 O ASN A 12 12.610 12.901 -1.694 1.00 0.00 O ATOM 203 CB ASN A 12 10.234 11.340 -1.057 1.00 0.00 C ATOM 204 CG ASN A 12 10.479 11.515 0.432 1.00 0.00 C ATOM 205 OD1 ASN A 12 9.545 11.641 1.218 1.00 0.00 O ATOM 206 ND2 ASN A 12 11.738 11.522 0.823 1.00 0.00 N ATOM 0 H ASN A 12 10.099 11.426 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 12 9.381 13.277 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.283 10.828 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.010 10.697 -1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.965 11.635 1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.486 11.414 0.137 1.00 0.00 H new ATOM 213 N GLU A 13 11.354 14.701 -1.189 1.00 0.00 N ATOM 214 CA GLU A 13 12.475 15.566 -0.845 1.00 0.00 C ATOM 215 C GLU A 13 12.202 16.251 0.488 1.00 0.00 C ATOM 216 O GLU A 13 12.837 17.251 0.838 1.00 0.00 O ATOM 217 CB GLU A 13 12.696 16.616 -1.942 1.00 0.00 C ATOM 218 CG GLU A 13 13.671 16.186 -3.029 1.00 0.00 C ATOM 219 CD GLU A 13 15.110 16.196 -2.549 1.00 0.00 C ATOM 220 OE1 GLU A 13 15.574 15.174 -2.006 1.00 0.00 O ATOM 221 OE2 GLU A 13 15.783 17.240 -2.704 1.00 0.00 O ATOM 0 H GLU A 13 10.445 15.158 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 13 13.377 14.960 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.737 16.852 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.063 17.534 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.411 15.184 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.572 16.851 -3.887 1.00 0.00 H new ATOM 228 N PHE A 14 11.262 15.665 1.235 1.00 0.00 N ATOM 229 CA PHE A 14 10.857 16.129 2.563 1.00 0.00 C ATOM 230 C PHE A 14 10.341 17.570 2.528 1.00 0.00 C ATOM 231 O PHE A 14 10.515 18.331 3.481 1.00 0.00 O ATOM 232 CB PHE A 14 12.007 15.974 3.574 1.00 0.00 C ATOM 233 CG PHE A 14 11.540 15.889 5.007 1.00 0.00 C ATOM 234 CD1 PHE A 14 10.888 14.755 5.466 1.00 0.00 C ATOM 235 CD2 PHE A 14 11.747 16.938 5.889 1.00 0.00 C ATOM 236 CE1 PHE A 14 10.452 14.670 6.774 1.00 0.00 C ATOM 237 CE2 PHE A 14 11.314 16.858 7.199 1.00 0.00 C ATOM 238 CZ PHE A 14 10.666 15.723 7.641 1.00 0.00 C ATOM 0 H PHE A 14 10.751 14.838 0.926 1.00 0.00 H new ATOM 0 HA PHE A 14 10.030 15.499 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 14 12.575 15.076 3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.687 16.819 3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.719 13.928 4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.253 17.829 5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.944 13.781 7.118 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.483 17.683 7.876 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.326 15.658 8.664 1.00 0.00 H new ATOM 248 N ASP A 15 9.692 17.933 1.438 1.00 0.00 N ATOM 249 CA ASP A 15 9.117 19.265 1.303 1.00 0.00 C ATOM 250 C ASP A 15 7.869 19.380 2.172 1.00 0.00 C ATOM 251 O ASP A 15 7.450 20.483 2.543 1.00 0.00 O ATOM 252 CB ASP A 15 8.779 19.565 -0.160 1.00 0.00 C ATOM 253 CG ASP A 15 8.255 20.973 -0.355 1.00 0.00 C ATOM 254 OD1 ASP A 15 9.045 21.936 -0.201 1.00 0.00 O ATOM 255 OD2 ASP A 15 7.059 21.131 -0.676 1.00 0.00 O ATOM 0 H ASP A 15 9.548 17.326 0.631 1.00 0.00 H new ATOM 0 HA ASP A 15 9.852 19.998 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.670 19.424 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.034 18.851 -0.512 1.00 0.00 H new ATOM 260 N HIS A 16 7.292 18.212 2.491 1.00 0.00 N ATOM 261 CA HIS A 16 6.090 18.086 3.317 1.00 0.00 C ATOM 262 C HIS A 16 4.874 18.484 2.494 1.00 0.00 C ATOM 263 O HIS A 16 3.972 19.186 2.960 1.00 0.00 O ATOM 264 CB HIS A 16 6.196 18.940 4.602 1.00 0.00 C ATOM 265 CG HIS A 16 5.244 18.542 5.697 1.00 0.00 C ATOM 266 ND1 HIS A 16 3.909 18.879 5.705 1.00 0.00 N ATOM 267 CD2 HIS A 16 5.453 17.835 6.831 1.00 0.00 C ATOM 268 CE1 HIS A 16 3.341 18.400 6.792 1.00 0.00 C ATOM 269 NE2 HIS A 16 4.256 17.760 7.495 1.00 0.00 N ATOM 0 H HIS A 16 7.657 17.314 2.174 1.00 0.00 H new ATOM 0 HA HIS A 16 5.986 17.048 3.633 1.00 0.00 H new ATOM 0 HB2 HIS A 16 7.215 18.875 4.983 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.018 19.984 4.345 1.00 0.00 H new ATOM 0 HD1 HIS A 16 3.433 19.417 4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.391 17.408 7.154 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.301 18.512 7.063 1.00 0.00 H new ATOM 278 N LEU A 17 4.863 18.011 1.261 1.00 0.00 N ATOM 279 CA LEU A 17 3.775 18.239 0.341 1.00 0.00 C ATOM 280 C LEU A 17 2.846 17.007 0.314 1.00 0.00 C ATOM 281 O LEU A 17 3.308 15.873 0.423 1.00 0.00 O ATOM 282 CB LEU A 17 4.368 18.529 -1.059 1.00 0.00 C ATOM 283 CG LEU A 17 3.471 18.272 -2.273 1.00 0.00 C ATOM 284 CD1 LEU A 17 2.254 19.188 -2.268 1.00 0.00 C ATOM 285 CD2 LEU A 17 4.261 18.454 -3.560 1.00 0.00 C ATOM 0 H LEU A 17 5.621 17.451 0.870 1.00 0.00 H new ATOM 0 HA LEU A 17 3.179 19.095 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.677 19.574 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.270 17.928 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 17 3.116 17.243 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.638 18.980 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.671 19.013 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.581 20.228 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.611 18.268 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.645 19.473 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.094 17.751 -3.578 1.00 0.00 H new ATOM 297 N LEU A 18 1.539 17.250 0.178 1.00 0.00 N ATOM 298 CA LEU A 18 0.523 16.179 0.155 1.00 0.00 C ATOM 299 C LEU A 18 0.867 15.094 -0.868 1.00 0.00 C ATOM 300 O LEU A 18 1.023 13.922 -0.515 1.00 0.00 O ATOM 301 CB LEU A 18 -0.877 16.748 -0.162 1.00 0.00 C ATOM 302 CG LEU A 18 -1.548 17.597 0.933 1.00 0.00 C ATOM 303 CD1 LEU A 18 -0.825 18.917 1.134 1.00 0.00 C ATOM 304 CD2 LEU A 18 -3.009 17.838 0.590 1.00 0.00 C ATOM 0 H LEU A 18 1.151 18.188 0.081 1.00 0.00 H new ATOM 0 HA LEU A 18 0.516 15.733 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.800 17.356 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.537 15.913 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.491 17.042 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.325 19.491 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.207 18.726 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.836 19.484 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.472 18.440 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.077 18.365 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.527 16.882 0.513 1.00 0.00 H new ATOM 316 N ILE A 19 0.981 15.493 -2.135 1.00 0.00 N ATOM 317 CA ILE A 19 1.304 14.559 -3.211 1.00 0.00 C ATOM 318 C ILE A 19 2.655 13.905 -2.981 1.00 0.00 C ATOM 319 O ILE A 19 2.852 12.739 -3.300 1.00 0.00 O ATOM 320 CB ILE A 19 1.283 15.255 -4.599 1.00 0.00 C ATOM 321 CG1 ILE A 19 -0.153 15.590 -4.988 1.00 0.00 C ATOM 322 CG2 ILE A 19 1.941 14.388 -5.680 1.00 0.00 C ATOM 323 CD1 ILE A 19 -1.069 14.376 -5.055 1.00 0.00 C ATOM 0 H ILE A 19 0.854 16.458 -2.440 1.00 0.00 H new ATOM 0 HA ILE A 19 0.534 13.787 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 19 1.862 16.175 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.559 16.301 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.151 16.086 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.906 14.910 -6.636 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.979 14.195 -5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.406 13.442 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.073 14.693 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.688 13.673 -5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.103 13.891 -4.079 1.00 0.00 H new ATOM 335 N GLU A 20 3.565 14.658 -2.397 1.00 0.00 N ATOM 336 CA GLU A 20 4.902 14.179 -2.128 1.00 0.00 C ATOM 337 C GLU A 20 4.869 12.993 -1.167 1.00 0.00 C ATOM 338 O GLU A 20 5.483 11.958 -1.425 1.00 0.00 O ATOM 339 CB GLU A 20 5.737 15.296 -1.537 1.00 0.00 C ATOM 340 CG GLU A 20 7.150 14.893 -1.240 1.00 0.00 C ATOM 341 CD GLU A 20 7.841 15.857 -0.320 1.00 0.00 C ATOM 342 OE1 GLU A 20 7.164 16.434 0.551 1.00 0.00 O ATOM 343 OE2 GLU A 20 9.065 16.040 -0.456 1.00 0.00 O ATOM 0 H GLU A 20 3.397 15.618 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 20 5.347 13.850 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.745 16.138 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.266 15.644 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.154 13.900 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.708 14.823 -2.174 1.00 0.00 H new ATOM 350 N GLN A 21 4.139 13.147 -0.064 1.00 0.00 N ATOM 351 CA GLN A 21 4.032 12.084 0.921 1.00 0.00 C ATOM 352 C GLN A 21 3.376 10.850 0.305 1.00 0.00 C ATOM 353 O GLN A 21 3.848 9.729 0.488 1.00 0.00 O ATOM 354 CB GLN A 21 3.252 12.548 2.154 1.00 0.00 C ATOM 355 CG GLN A 21 3.279 11.547 3.307 1.00 0.00 C ATOM 356 CD GLN A 21 4.687 11.284 3.828 1.00 0.00 C ATOM 357 OE1 GLN A 21 5.389 10.386 3.348 1.00 0.00 O ATOM 358 NE2 GLN A 21 5.104 12.052 4.816 1.00 0.00 N ATOM 0 H GLN A 21 3.618 13.993 0.165 1.00 0.00 H new ATOM 0 HA GLN A 21 5.040 11.820 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.664 13.497 2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.216 12.734 1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.659 11.921 4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.837 10.607 2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.496 12.783 5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.035 11.915 5.210 1.00 0.00 H new ATOM 367 N ALA A 22 2.278 11.067 -0.425 1.00 0.00 N ATOM 368 CA ALA A 22 1.588 9.985 -1.126 1.00 0.00 C ATOM 369 C ALA A 22 2.522 9.289 -2.110 1.00 0.00 C ATOM 370 O ALA A 22 2.532 8.064 -2.216 1.00 0.00 O ATOM 371 CB ALA A 22 0.365 10.525 -1.853 1.00 0.00 C ATOM 0 H ALA A 22 1.849 11.985 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 22 1.266 9.252 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.140 9.710 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.318 10.975 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.675 11.278 -2.577 1.00 0.00 H new ATOM 377 N ASN A 23 3.314 10.089 -2.816 1.00 0.00 N ATOM 378 CA ASN A 23 4.273 9.570 -3.783 1.00 0.00 C ATOM 379 C ASN A 23 5.304 8.726 -3.048 1.00 0.00 C ATOM 380 O ASN A 23 5.687 7.650 -3.493 1.00 0.00 O ATOM 381 CB ASN A 23 4.964 10.707 -4.541 1.00 0.00 C ATOM 382 CG ASN A 23 5.588 10.249 -5.855 1.00 0.00 C ATOM 383 OD1 ASN A 23 5.971 9.093 -6.014 1.00 0.00 O ATOM 384 ND2 ASN A 23 5.700 11.158 -6.797 1.00 0.00 N ATOM 0 H ASN A 23 3.310 11.106 -2.735 1.00 0.00 H new ATOM 0 HA ASN A 23 3.744 8.959 -4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.239 11.495 -4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.738 11.141 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.116 10.913 -7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.371 12.109 -6.630 1.00 0.00 H new ATOM 391 N HIS A 24 5.725 9.220 -1.900 1.00 0.00 N ATOM 392 CA HIS A 24 6.658 8.509 -1.053 1.00 0.00 C ATOM 393 C HIS A 24 6.063 7.174 -0.600 1.00 0.00 C ATOM 394 O HIS A 24 6.755 6.152 -0.588 1.00 0.00 O ATOM 395 CB HIS A 24 7.047 9.377 0.159 1.00 0.00 C ATOM 396 CG HIS A 24 7.876 8.694 1.204 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.568 8.746 2.544 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.017 7.967 1.110 1.00 0.00 C ATOM 399 CE1 HIS A 24 8.476 8.085 3.229 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.366 7.601 2.384 1.00 0.00 N ATOM 0 H HIS A 24 5.430 10.124 -1.530 1.00 0.00 H new ATOM 0 HA HIS A 24 7.560 8.298 -1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.594 10.248 -0.201 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.134 9.745 0.628 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.760 9.223 2.944 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.550 7.723 0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 24 8.490 7.960 4.302 1.00 0.00 H new ATOM 409 N ALA A 25 4.788 7.184 -0.224 1.00 0.00 N ATOM 410 CA ALA A 25 4.108 5.975 0.201 1.00 0.00 C ATOM 411 C ALA A 25 4.007 4.962 -0.933 1.00 0.00 C ATOM 412 O ALA A 25 4.292 3.779 -0.738 1.00 0.00 O ATOM 413 CB ALA A 25 2.724 6.306 0.738 1.00 0.00 C ATOM 0 H ALA A 25 4.207 8.022 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 25 4.699 5.525 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.227 5.388 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.816 6.980 1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.136 6.788 -0.043 1.00 0.00 H new ATOM 419 N ILE A 26 3.614 5.420 -2.123 1.00 0.00 N ATOM 420 CA ILE A 26 3.477 4.515 -3.256 1.00 0.00 C ATOM 421 C ILE A 26 4.833 3.978 -3.704 1.00 0.00 C ATOM 422 O ILE A 26 4.928 2.835 -4.137 1.00 0.00 O ATOM 423 CB ILE A 26 2.711 5.135 -4.458 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.424 6.374 -4.990 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.278 5.466 -4.055 1.00 0.00 C ATOM 426 CD1 ILE A 26 2.747 7.005 -6.191 1.00 0.00 C ATOM 0 H ILE A 26 3.389 6.395 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 26 2.868 3.685 -2.897 1.00 0.00 H new ATOM 0 HB ILE A 26 2.687 4.399 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.490 7.114 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.445 6.105 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.752 5.900 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.769 4.555 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.287 6.180 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.314 7.880 -6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.705 6.283 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.735 7.307 -5.921 1.00 0.00 H new ATOM 438 N GLU A 27 5.886 4.801 -3.586 1.00 0.00 N ATOM 439 CA GLU A 27 7.238 4.331 -3.886 1.00 0.00 C ATOM 440 C GLU A 27 7.598 3.178 -2.962 1.00 0.00 C ATOM 441 O GLU A 27 8.163 2.165 -3.400 1.00 0.00 O ATOM 442 CB GLU A 27 8.282 5.446 -3.740 1.00 0.00 C ATOM 443 CG GLU A 27 8.319 6.431 -4.898 1.00 0.00 C ATOM 444 CD GLU A 27 9.527 7.350 -4.838 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.516 7.003 -4.156 1.00 0.00 O ATOM 446 OE2 GLU A 27 9.511 8.409 -5.499 1.00 0.00 O ATOM 0 H GLU A 27 5.826 5.775 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 27 7.246 3.999 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.083 5.994 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.267 4.992 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.331 5.881 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.409 7.031 -4.891 1.00 0.00 H new ATOM 453 N LYS A 28 7.243 3.321 -1.683 1.00 0.00 N ATOM 454 CA LYS A 28 7.490 2.272 -0.704 1.00 0.00 C ATOM 455 C LYS A 28 6.633 1.052 -1.015 1.00 0.00 C ATOM 456 O LYS A 28 7.129 -0.079 -1.021 1.00 0.00 O ATOM 457 CB LYS A 28 7.190 2.760 0.721 1.00 0.00 C ATOM 458 CG LYS A 28 7.279 1.648 1.764 1.00 0.00 C ATOM 459 CD LYS A 28 6.790 2.094 3.135 1.00 0.00 C ATOM 460 CE LYS A 28 7.732 3.091 3.778 1.00 0.00 C ATOM 461 NZ LYS A 28 7.368 3.352 5.191 1.00 0.00 N ATOM 0 H LYS A 28 6.786 4.151 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 28 8.545 2.002 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.891 3.553 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.191 3.196 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.689 0.794 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.312 1.310 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.800 2.540 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.686 1.224 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.753 2.712 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.711 4.026 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.034 4.039 5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.403 3.737 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.412 2.464 5.731 1.00 0.00 H new ATOM 475 N GLY A 29 5.347 1.290 -1.292 1.00 0.00 N ATOM 476 CA GLY A 29 4.426 0.212 -1.582 1.00 0.00 C ATOM 477 C GLY A 29 4.853 -0.582 -2.789 1.00 0.00 C ATOM 478 O GLY A 29 4.826 -1.803 -2.782 1.00 0.00 O ATOM 0 H GLY A 29 4.931 2.221 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.357 -0.449 -0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.430 0.621 -1.750 1.00 0.00 H new ATOM 482 N GLU A 30 5.267 0.129 -3.817 1.00 0.00 N ATOM 483 CA GLU A 30 5.724 -0.479 -5.047 1.00 0.00 C ATOM 484 C GLU A 30 6.911 -1.400 -4.776 1.00 0.00 C ATOM 485 O GLU A 30 6.961 -2.531 -5.252 1.00 0.00 O ATOM 486 CB GLU A 30 6.106 0.605 -6.055 1.00 0.00 C ATOM 487 CG GLU A 30 6.551 0.078 -7.404 1.00 0.00 C ATOM 488 CD GLU A 30 6.955 1.188 -8.338 1.00 0.00 C ATOM 489 OE1 GLU A 30 8.125 1.624 -8.280 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.112 1.641 -9.132 1.00 0.00 O ATOM 0 H GLU A 30 5.296 1.149 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 30 4.915 -1.077 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.251 1.266 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.908 1.210 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.390 -0.605 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.742 -0.497 -7.853 1.00 0.00 H new ATOM 497 N HIS A 31 7.850 -0.909 -3.972 1.00 0.00 N ATOM 498 CA HIS A 31 9.051 -1.662 -3.646 1.00 0.00 C ATOM 499 C HIS A 31 8.723 -2.897 -2.804 1.00 0.00 C ATOM 500 O HIS A 31 9.243 -3.979 -3.059 1.00 0.00 O ATOM 501 CB HIS A 31 10.066 -0.770 -2.915 1.00 0.00 C ATOM 502 CG HIS A 31 11.409 -1.418 -2.720 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.092 -1.394 -1.527 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.191 -2.107 -3.582 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.231 -2.042 -1.662 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.315 -2.485 -2.898 1.00 0.00 N ATOM 0 H HIS A 31 7.799 0.011 -3.534 1.00 0.00 H new ATOM 0 HA HIS A 31 9.494 -2.002 -4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.196 0.154 -3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.660 -0.495 -1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.970 -2.319 -4.618 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.971 -2.185 -0.889 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.091 -3.023 -3.284 1.00 0.00 H new ATOM 515 N GLN A 32 7.855 -2.734 -1.811 1.00 0.00 N ATOM 516 CA GLN A 32 7.481 -3.853 -0.951 1.00 0.00 C ATOM 517 C GLN A 32 6.632 -4.859 -1.728 1.00 0.00 C ATOM 518 O GLN A 32 6.697 -6.057 -1.475 1.00 0.00 O ATOM 519 CB GLN A 32 6.771 -3.363 0.341 1.00 0.00 C ATOM 520 CG GLN A 32 5.384 -2.745 0.144 1.00 0.00 C ATOM 521 CD GLN A 32 4.253 -3.772 0.029 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.269 -3.545 -0.660 1.00 0.00 O ATOM 523 NE2 GLN A 32 4.379 -4.891 0.725 1.00 0.00 N ATOM 0 H GLN A 32 7.401 -1.849 -1.583 1.00 0.00 H new ATOM 0 HA GLN A 32 8.390 -4.362 -0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.679 -4.207 1.025 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.411 -2.627 0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.172 -2.079 0.981 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.396 -2.131 -0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.213 -5.049 1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.642 -5.595 0.696 1.00 0.00 H new ATOM 532 N LEU A 33 5.856 -4.368 -2.684 1.00 0.00 N ATOM 533 CA LEU A 33 5.049 -5.231 -3.535 1.00 0.00 C ATOM 534 C LEU A 33 5.961 -6.092 -4.397 1.00 0.00 C ATOM 535 O LEU A 33 5.794 -7.311 -4.469 1.00 0.00 O ATOM 536 CB LEU A 33 4.091 -4.377 -4.396 1.00 0.00 C ATOM 537 CG LEU A 33 3.190 -5.117 -5.414 1.00 0.00 C ATOM 538 CD1 LEU A 33 3.904 -5.302 -6.744 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.716 -6.466 -4.863 1.00 0.00 C ATOM 0 H LEU A 33 5.768 -3.373 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 33 4.440 -5.893 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.445 -3.815 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.690 -3.650 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 33 2.310 -4.496 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.248 -5.825 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.166 -4.327 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.811 -5.887 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.086 -6.960 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.580 -7.094 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.145 -6.305 -3.949 1.00 0.00 H new ATOM 551 N LEU A 34 6.954 -5.461 -5.010 1.00 0.00 N ATOM 552 CA LEU A 34 7.897 -6.180 -5.853 1.00 0.00 C ATOM 553 C LEU A 34 8.675 -7.175 -5.013 1.00 0.00 C ATOM 554 O LEU A 34 9.013 -8.267 -5.473 1.00 0.00 O ATOM 555 CB LEU A 34 8.863 -5.206 -6.540 1.00 0.00 C ATOM 556 CG LEU A 34 8.227 -4.194 -7.498 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.285 -3.270 -8.078 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.473 -4.908 -8.609 1.00 0.00 C ATOM 0 H LEU A 34 7.126 -4.458 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 34 7.341 -6.712 -6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.403 -4.657 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.601 -5.787 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 34 7.515 -3.590 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.814 -2.558 -8.756 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.779 -2.730 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.022 -3.858 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.029 -4.172 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.163 -5.539 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.686 -5.526 -8.176 1.00 0.00 H new ATOM 570 N TYR A 35 8.931 -6.802 -3.768 1.00 0.00 N ATOM 571 CA TYR A 35 9.650 -7.652 -2.851 1.00 0.00 C ATOM 572 C TYR A 35 8.816 -8.878 -2.486 1.00 0.00 C ATOM 573 O TYR A 35 9.282 -10.013 -2.596 1.00 0.00 O ATOM 574 CB TYR A 35 10.069 -6.890 -1.589 1.00 0.00 C ATOM 575 CG TYR A 35 10.676 -7.779 -0.524 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.952 -8.308 -0.673 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.965 -8.100 0.622 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.497 -9.132 0.291 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.500 -8.919 1.590 1.00 0.00 C ATOM 580 CZ TYR A 35 11.767 -9.436 1.421 1.00 0.00 C ATOM 581 OH TYR A 35 12.309 -10.259 2.389 1.00 0.00 O ATOM 0 H TYR A 35 8.645 -5.906 -3.374 1.00 0.00 H new ATOM 0 HA TYR A 35 10.558 -7.986 -3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.789 -6.118 -1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.198 -6.381 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.526 -8.071 -1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.971 -7.699 0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.490 -9.537 0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.931 -9.155 2.477 1.00 0.00 H new ATOM 0 HH TYR A 35 11.666 -10.372 3.120 1.00 0.00 H new ATOM 591 N LEU A 36 7.568 -8.641 -2.066 1.00 0.00 N ATOM 592 CA LEU A 36 6.660 -9.711 -1.661 1.00 0.00 C ATOM 593 C LEU A 36 6.369 -10.671 -2.807 1.00 0.00 C ATOM 594 O LEU A 36 6.203 -11.869 -2.587 1.00 0.00 O ATOM 595 CB LEU A 36 5.346 -9.131 -1.114 1.00 0.00 C ATOM 596 CG LEU A 36 5.240 -8.981 0.416 1.00 0.00 C ATOM 597 CD1 LEU A 36 5.247 -10.340 1.092 1.00 0.00 C ATOM 598 CD2 LEU A 36 6.361 -8.115 0.962 1.00 0.00 C ATOM 0 H LEU A 36 7.164 -7.707 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 36 7.158 -10.273 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.194 -8.150 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.527 -9.766 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 36 4.293 -8.488 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.171 -10.210 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.400 -10.927 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.175 -10.860 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.259 -8.028 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.322 -8.571 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.308 -7.124 0.511 1.00 0.00 H new ATOM 610 N GLN A 37 6.311 -10.151 -4.034 1.00 0.00 N ATOM 611 CA GLN A 37 6.061 -11.002 -5.188 1.00 0.00 C ATOM 612 C GLN A 37 7.221 -11.975 -5.398 1.00 0.00 C ATOM 613 O GLN A 37 7.047 -13.073 -5.934 1.00 0.00 O ATOM 614 CB GLN A 37 5.794 -10.177 -6.444 1.00 0.00 C ATOM 615 CG GLN A 37 4.507 -9.381 -6.347 1.00 0.00 C ATOM 616 CD GLN A 37 4.117 -8.695 -7.634 1.00 0.00 C ATOM 617 OE1 GLN A 37 4.963 -8.346 -8.455 1.00 0.00 O ATOM 618 NE2 GLN A 37 2.828 -8.490 -7.809 1.00 0.00 N ATOM 0 H GLN A 37 6.432 -9.161 -4.248 1.00 0.00 H new ATOM 0 HA GLN A 37 5.161 -11.584 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.628 -9.496 -6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.744 -10.840 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.700 -10.048 -6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.613 -8.631 -5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.162 -8.797 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.496 -8.024 -8.653 1.00 0.00 H new ATOM 627 N HIS A 38 8.409 -11.571 -4.950 1.00 0.00 N ATOM 628 CA HIS A 38 9.575 -12.441 -5.004 1.00 0.00 C ATOM 629 C HIS A 38 9.437 -13.544 -3.966 1.00 0.00 C ATOM 630 O HIS A 38 9.875 -14.690 -4.176 1.00 0.00 O ATOM 631 CB HIS A 38 10.863 -11.652 -4.773 1.00 0.00 C ATOM 632 CG HIS A 38 11.379 -11.003 -6.009 1.00 0.00 C ATOM 633 ND1 HIS A 38 10.859 -9.842 -6.522 1.00 0.00 N ATOM 634 CD2 HIS A 38 12.359 -11.377 -6.856 1.00 0.00 C ATOM 635 CE1 HIS A 38 11.489 -9.533 -7.627 1.00 0.00 C ATOM 636 NE2 HIS A 38 12.406 -10.445 -7.854 1.00 0.00 N ATOM 0 H HIS A 38 8.586 -10.650 -4.548 1.00 0.00 H new ATOM 0 HA HIS A 38 9.631 -12.885 -5.998 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.684 -10.888 -4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.626 -12.321 -4.375 1.00 0.00 H new ATOM 0 HD1 HIS A 38 10.099 -9.303 -6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.989 -12.250 -6.763 1.00 0.00 H new ATOM 0 HE1 HIS A 38 11.288 -8.672 -8.248 1.00 0.00 H new ATOM 645 N GLN A 39 8.797 -13.205 -2.850 1.00 0.00 N ATOM 646 CA GLN A 39 8.548 -14.161 -1.792 1.00 0.00 C ATOM 647 C GLN A 39 7.543 -15.181 -2.278 1.00 0.00 C ATOM 648 O GLN A 39 7.660 -16.365 -2.001 1.00 0.00 O ATOM 649 CB GLN A 39 8.041 -13.460 -0.527 1.00 0.00 C ATOM 650 CG GLN A 39 9.010 -12.423 0.026 1.00 0.00 C ATOM 651 CD GLN A 39 10.375 -13.010 0.326 1.00 0.00 C ATOM 652 OE1 GLN A 39 11.252 -13.040 -0.533 1.00 0.00 O ATOM 653 NE2 GLN A 39 10.565 -13.473 1.544 1.00 0.00 N ATOM 0 H GLN A 39 8.442 -12.268 -2.661 1.00 0.00 H new ATOM 0 HA GLN A 39 9.481 -14.663 -1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.090 -12.975 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.847 -14.209 0.240 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.117 -11.610 -0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.595 -11.991 0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.811 -13.430 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.466 -13.875 1.802 1.00 0.00 H new ATOM 662 N LEU A 40 6.532 -14.682 -2.997 1.00 0.00 N ATOM 663 CA LEU A 40 5.541 -15.521 -3.658 1.00 0.00 C ATOM 664 C LEU A 40 6.229 -16.570 -4.518 1.00 0.00 C ATOM 665 O LEU A 40 5.883 -17.739 -4.468 1.00 0.00 O ATOM 666 CB LEU A 40 4.621 -14.654 -4.522 1.00 0.00 C ATOM 667 CG LEU A 40 3.568 -15.399 -5.341 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.575 -16.103 -4.429 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.851 -14.436 -6.275 1.00 0.00 C ATOM 0 H LEU A 40 6.382 -13.682 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 40 4.945 -16.028 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.110 -13.943 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.240 -14.073 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 40 4.070 -16.157 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.834 -16.627 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.103 -16.820 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.075 -15.367 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.103 -14.979 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.362 -13.657 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.573 -13.981 -6.953 1.00 0.00 H new ATOM 681 N ASP A 41 7.237 -16.146 -5.279 1.00 0.00 N ATOM 682 CA ASP A 41 7.997 -17.065 -6.129 1.00 0.00 C ATOM 683 C ASP A 41 8.593 -18.196 -5.293 1.00 0.00 C ATOM 684 O ASP A 41 8.558 -19.364 -5.688 1.00 0.00 O ATOM 685 CB ASP A 41 9.105 -16.310 -6.871 1.00 0.00 C ATOM 686 CG ASP A 41 10.077 -17.237 -7.571 1.00 0.00 C ATOM 687 OD1 ASP A 41 9.756 -17.727 -8.672 1.00 0.00 O ATOM 688 OD2 ASP A 41 11.171 -17.484 -7.016 1.00 0.00 O ATOM 0 H ASP A 41 7.547 -15.175 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 41 7.319 -17.499 -6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.655 -15.641 -7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.650 -15.686 -6.163 1.00 0.00 H new ATOM 693 N GLU A 42 9.125 -17.832 -4.132 1.00 0.00 N ATOM 694 CA GLU A 42 9.682 -18.804 -3.196 1.00 0.00 C ATOM 695 C GLU A 42 8.568 -19.713 -2.642 1.00 0.00 C ATOM 696 O GLU A 42 8.706 -20.939 -2.593 1.00 0.00 O ATOM 697 CB GLU A 42 10.408 -18.076 -2.054 1.00 0.00 C ATOM 698 CG GLU A 42 10.905 -18.991 -0.952 1.00 0.00 C ATOM 699 CD GLU A 42 11.715 -18.259 0.096 1.00 0.00 C ATOM 700 OE1 GLU A 42 11.214 -17.265 0.661 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.868 -18.677 0.358 1.00 0.00 O ATOM 0 H GLU A 42 9.183 -16.865 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 42 10.402 -19.430 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.256 -17.529 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.733 -17.338 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.052 -19.474 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.515 -19.782 -1.389 1.00 0.00 H new ATOM 708 N LEU A 43 7.474 -19.083 -2.235 1.00 0.00 N ATOM 709 CA LEU A 43 6.308 -19.783 -1.689 1.00 0.00 C ATOM 710 C LEU A 43 5.780 -20.835 -2.668 1.00 0.00 C ATOM 711 O LEU A 43 5.425 -21.934 -2.269 1.00 0.00 O ATOM 712 CB LEU A 43 5.189 -18.798 -1.345 1.00 0.00 C ATOM 713 CG LEU A 43 3.950 -19.411 -0.684 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.284 -19.938 0.696 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.820 -18.397 -0.620 1.00 0.00 C ATOM 0 H LEU A 43 7.365 -18.070 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 43 6.633 -20.286 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.593 -18.034 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.879 -18.293 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 43 3.617 -20.251 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.390 -20.369 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.055 -20.704 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.647 -19.121 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.949 -18.852 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.139 -17.533 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.560 -18.078 -1.629 1.00 0.00 H new ATOM 727 N ASN A 44 5.748 -20.488 -3.939 1.00 0.00 N ATOM 728 CA ASN A 44 5.261 -21.389 -4.995 1.00 0.00 C ATOM 729 C ASN A 44 6.099 -22.667 -5.058 1.00 0.00 C ATOM 730 O ASN A 44 5.594 -23.744 -5.378 1.00 0.00 O ATOM 731 CB ASN A 44 5.283 -20.674 -6.353 1.00 0.00 C ATOM 732 CG ASN A 44 4.213 -19.607 -6.478 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.734 -19.070 -5.489 1.00 0.00 O ATOM 734 ND2 ASN A 44 3.839 -19.282 -7.697 1.00 0.00 N ATOM 0 H ASN A 44 6.056 -19.578 -4.281 1.00 0.00 H new ATOM 0 HA ASN A 44 4.235 -21.668 -4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.262 -20.218 -6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.150 -21.409 -7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.130 -18.563 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.258 -19.749 -8.501 1.00 0.00 H new ATOM 741 N GLU A 45 7.371 -22.529 -4.748 1.00 0.00 N ATOM 742 CA GLU A 45 8.302 -23.653 -4.774 1.00 0.00 C ATOM 743 C GLU A 45 8.261 -24.453 -3.467 1.00 0.00 C ATOM 744 O GLU A 45 8.213 -25.686 -3.481 1.00 0.00 O ATOM 745 CB GLU A 45 9.727 -23.157 -5.033 1.00 0.00 C ATOM 746 CG GLU A 45 9.901 -22.443 -6.364 1.00 0.00 C ATOM 747 CD GLU A 45 9.540 -23.319 -7.541 1.00 0.00 C ATOM 748 OE1 GLU A 45 10.291 -24.269 -7.830 1.00 0.00 O ATOM 749 OE2 GLU A 45 8.505 -23.062 -8.182 1.00 0.00 O ATOM 0 H GLU A 45 7.793 -21.643 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 45 7.994 -24.314 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.017 -22.481 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.409 -24.007 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.279 -21.548 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.935 -22.114 -6.464 1.00 0.00 H new ATOM 756 N ASN A 46 8.264 -23.751 -2.353 1.00 0.00 N ATOM 757 CA ASN A 46 8.290 -24.394 -1.036 1.00 0.00 C ATOM 758 C ASN A 46 6.915 -24.933 -0.631 1.00 0.00 C ATOM 759 O ASN A 46 6.820 -25.968 0.026 1.00 0.00 O ATOM 760 CB ASN A 46 8.825 -23.436 0.030 1.00 0.00 C ATOM 761 CG ASN A 46 10.315 -23.187 -0.105 1.00 0.00 C ATOM 762 OD1 ASN A 46 11.058 -24.036 -0.591 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.765 -22.038 0.347 1.00 0.00 N ATOM 0 H ASN A 46 8.249 -22.732 -2.323 1.00 0.00 H new ATOM 0 HA ASN A 46 8.966 -25.246 -1.111 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.294 -22.487 -0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.617 -23.845 1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.762 -21.827 0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.117 -21.357 0.744 1.00 0.00 H new ATOM 770 N LYS A 47 5.863 -24.230 -1.060 1.00 0.00 N ATOM 771 CA LYS A 47 4.468 -24.562 -0.682 1.00 0.00 C ATOM 772 C LYS A 47 4.315 -24.562 0.856 1.00 0.00 C ATOM 773 O LYS A 47 3.381 -25.151 1.400 1.00 0.00 O ATOM 774 CB LYS A 47 4.087 -25.947 -1.230 1.00 0.00 C ATOM 775 CG LYS A 47 4.050 -26.039 -2.756 1.00 0.00 C ATOM 776 CD LYS A 47 2.911 -25.213 -3.360 1.00 0.00 C ATOM 777 CE LYS A 47 2.786 -25.474 -4.854 1.00 0.00 C ATOM 778 NZ LYS A 47 1.629 -24.761 -5.454 1.00 0.00 N ATOM 0 H LYS A 47 5.943 -23.420 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 47 3.807 -23.808 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.798 -26.681 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.107 -26.221 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.001 -25.694 -3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.937 -27.082 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.973 -25.461 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.093 -24.153 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.703 -25.160 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.679 -26.545 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.385 -25.200 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.813 -24.820 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.878 -23.763 -5.607 1.00 0.00 H new ATOM 792 N SER A 48 5.239 -23.891 1.535 1.00 0.00 N ATOM 793 CA SER A 48 5.255 -23.837 2.990 1.00 0.00 C ATOM 794 C SER A 48 4.039 -23.096 3.532 1.00 0.00 C ATOM 795 O SER A 48 3.846 -21.914 3.254 1.00 0.00 O ATOM 796 CB SER A 48 6.541 -23.173 3.465 1.00 0.00 C ATOM 797 OG SER A 48 7.663 -23.765 2.838 1.00 0.00 O ATOM 0 H SER A 48 5.996 -23.370 1.092 1.00 0.00 H new ATOM 0 HA SER A 48 5.214 -24.857 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.512 -22.107 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.629 -23.269 4.547 1.00 0.00 H new ATOM 0 HG SER A 48 8.431 -23.159 2.902 1.00 0.00 H new ATOM 803 N LYS A 49 3.227 -23.797 4.316 1.00 0.00 N ATOM 804 CA LYS A 49 2.020 -23.210 4.886 1.00 0.00 C ATOM 805 C LYS A 49 2.341 -22.040 5.815 1.00 0.00 C ATOM 806 O LYS A 49 1.689 -21.008 5.758 1.00 0.00 O ATOM 807 CB LYS A 49 1.155 -24.268 5.610 1.00 0.00 C ATOM 808 CG LYS A 49 1.818 -24.965 6.795 1.00 0.00 C ATOM 809 CD LYS A 49 2.826 -26.012 6.350 1.00 0.00 C ATOM 810 CE LYS A 49 3.221 -26.931 7.494 1.00 0.00 C ATOM 811 NZ LYS A 49 2.040 -27.614 8.088 1.00 0.00 N ATOM 0 H LYS A 49 3.383 -24.772 4.571 1.00 0.00 H new ATOM 0 HA LYS A 49 1.437 -22.819 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.242 -23.787 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.859 -25.026 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.317 -24.223 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.053 -25.437 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.403 -26.603 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.714 -25.518 5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.929 -27.677 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.732 -26.353 8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.345 -28.493 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.594 -26.989 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.355 -27.838 7.338 1.00 0.00 H new ATOM 825 N GLU A 50 3.357 -22.204 6.660 1.00 0.00 N ATOM 826 CA GLU A 50 3.759 -21.138 7.578 1.00 0.00 C ATOM 827 C GLU A 50 4.213 -19.901 6.806 1.00 0.00 C ATOM 828 O GLU A 50 3.839 -18.780 7.151 1.00 0.00 O ATOM 829 CB GLU A 50 4.856 -21.619 8.535 1.00 0.00 C ATOM 830 CG GLU A 50 6.078 -22.203 7.846 1.00 0.00 C ATOM 831 CD GLU A 50 7.125 -22.672 8.828 1.00 0.00 C ATOM 832 OE1 GLU A 50 7.049 -23.835 9.273 1.00 0.00 O ATOM 833 OE2 GLU A 50 8.031 -21.883 9.160 1.00 0.00 O ATOM 0 H GLU A 50 3.913 -23.056 6.729 1.00 0.00 H new ATOM 0 HA GLU A 50 2.890 -20.865 8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.171 -20.782 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.435 -22.372 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.772 -23.040 7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.513 -21.452 7.186 1.00 0.00 H new ATOM 840 N LEU A 51 5.002 -20.108 5.760 1.00 0.00 N ATOM 841 CA LEU A 51 5.439 -19.007 4.915 1.00 0.00 C ATOM 842 C LEU A 51 4.226 -18.303 4.309 1.00 0.00 C ATOM 843 O LEU A 51 4.170 -17.079 4.263 1.00 0.00 O ATOM 844 CB LEU A 51 6.363 -19.515 3.805 1.00 0.00 C ATOM 845 CG LEU A 51 6.965 -18.442 2.891 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.839 -17.482 3.684 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.760 -19.086 1.765 1.00 0.00 C ATOM 0 H LEU A 51 5.351 -21.024 5.478 1.00 0.00 H new ATOM 0 HA LEU A 51 5.994 -18.297 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.179 -20.072 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.805 -20.219 3.188 1.00 0.00 H new ATOM 0 HG LEU A 51 6.147 -17.870 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.255 -16.730 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.239 -16.992 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.651 -18.035 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.180 -18.309 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.567 -19.685 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.103 -19.725 1.175 1.00 0.00 H new ATOM 859 N GLN A 52 3.253 -19.095 3.873 1.00 0.00 N ATOM 860 CA GLN A 52 2.018 -18.557 3.311 1.00 0.00 C ATOM 861 C GLN A 52 1.322 -17.653 4.330 1.00 0.00 C ATOM 862 O GLN A 52 0.869 -16.554 3.993 1.00 0.00 O ATOM 863 CB GLN A 52 1.083 -19.692 2.902 1.00 0.00 C ATOM 864 CG GLN A 52 -0.123 -19.237 2.100 1.00 0.00 C ATOM 865 CD GLN A 52 -1.117 -20.350 1.861 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.282 -21.243 2.693 1.00 0.00 O ATOM 867 NE2 GLN A 52 -1.767 -20.322 0.722 1.00 0.00 N ATOM 0 H GLN A 52 3.295 -20.114 3.898 1.00 0.00 H new ATOM 0 HA GLN A 52 2.268 -17.969 2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.645 -20.418 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.738 -20.206 3.799 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.617 -18.420 2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.212 -18.842 1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.602 -19.565 0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.438 -21.058 0.499 1.00 0.00 H new ATOM 876 N GLU A 53 1.258 -18.119 5.579 1.00 0.00 N ATOM 877 CA GLU A 53 0.639 -17.370 6.666 1.00 0.00 C ATOM 878 C GLU A 53 1.326 -16.019 6.859 1.00 0.00 C ATOM 879 O GLU A 53 0.667 -14.983 6.902 1.00 0.00 O ATOM 880 CB GLU A 53 0.723 -18.179 7.969 1.00 0.00 C ATOM 881 CG GLU A 53 0.050 -19.546 7.909 1.00 0.00 C ATOM 882 CD GLU A 53 -1.459 -19.466 7.962 1.00 0.00 C ATOM 883 OE1 GLU A 53 -2.087 -19.209 6.923 1.00 0.00 O ATOM 884 OE2 GLU A 53 -2.027 -19.657 9.056 1.00 0.00 O ATOM 0 H GLU A 53 1.634 -19.024 5.861 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.405 -17.194 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.772 -18.316 8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.268 -17.599 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.349 -20.052 6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.405 -20.156 8.739 1.00 0.00 H new ATOM 891 N LYS A 54 2.653 -16.042 6.959 1.00 0.00 N ATOM 892 CA LYS A 54 3.444 -14.819 7.158 1.00 0.00 C ATOM 893 C LYS A 54 3.232 -13.853 5.996 1.00 0.00 C ATOM 894 O LYS A 54 2.975 -12.664 6.199 1.00 0.00 O ATOM 895 CB LYS A 54 4.942 -15.158 7.255 1.00 0.00 C ATOM 896 CG LYS A 54 5.311 -16.278 8.238 1.00 0.00 C ATOM 897 CD LYS A 54 5.278 -15.836 9.702 1.00 0.00 C ATOM 898 CE LYS A 54 3.870 -15.820 10.277 1.00 0.00 C ATOM 899 NZ LYS A 54 3.881 -15.586 11.742 1.00 0.00 N ATOM 0 H LYS A 54 3.210 -16.895 6.906 1.00 0.00 H new ATOM 0 HA LYS A 54 3.114 -14.352 8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.297 -15.439 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.482 -14.256 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.622 -17.112 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.309 -16.646 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.901 -16.507 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.712 -14.840 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.285 -15.041 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.378 -16.769 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.905 -15.581 12.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.418 -16.343 12.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.328 -14.669 11.944 1.00 0.00 H new ATOM 913 N ILE A 55 3.320 -14.386 4.788 1.00 0.00 N ATOM 914 CA ILE A 55 3.192 -13.583 3.580 1.00 0.00 C ATOM 915 C ILE A 55 1.834 -12.883 3.498 1.00 0.00 C ATOM 916 O ILE A 55 1.771 -11.668 3.325 1.00 0.00 O ATOM 917 CB ILE A 55 3.438 -14.423 2.295 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.898 -14.891 2.242 1.00 0.00 C ATOM 919 CG2 ILE A 55 3.093 -13.616 1.045 1.00 0.00 C ATOM 920 CD1 ILE A 55 5.227 -15.747 1.036 1.00 0.00 C ATOM 0 H ILE A 55 3.481 -15.379 4.616 1.00 0.00 H new ATOM 0 HA ILE A 55 3.966 -12.818 3.641 1.00 0.00 H new ATOM 0 HB ILE A 55 2.788 -15.297 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.549 -14.017 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.121 -15.456 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.273 -14.224 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.043 -13.325 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.716 -12.723 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.277 -16.037 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.603 -16.641 1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.038 -15.180 0.125 1.00 0.00 H new ATOM 932 N ILE A 56 0.755 -13.639 3.654 1.00 0.00 N ATOM 933 CA ILE A 56 -0.585 -13.072 3.539 1.00 0.00 C ATOM 934 C ILE A 56 -0.907 -12.133 4.728 1.00 0.00 C ATOM 935 O ILE A 56 -1.547 -11.097 4.546 1.00 0.00 O ATOM 936 CB ILE A 56 -1.672 -14.200 3.370 1.00 0.00 C ATOM 937 CG1 ILE A 56 -3.017 -13.643 2.826 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.889 -14.970 4.666 1.00 0.00 C ATOM 939 CD1 ILE A 56 -3.893 -12.941 3.853 1.00 0.00 C ATOM 0 H ILE A 56 0.779 -14.638 3.859 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.610 -12.463 2.635 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.283 -14.896 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.801 -12.944 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.584 -14.467 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.645 -15.739 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.953 -15.438 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.224 -14.285 5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.806 -12.590 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.148 -13.638 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.353 -12.091 4.272 1.00 0.00 H new ATOM 951 N ARG A 57 -0.424 -12.471 5.924 1.00 0.00 N ATOM 952 CA ARG A 57 -0.688 -11.649 7.115 1.00 0.00 C ATOM 953 C ARG A 57 -0.029 -10.284 7.013 1.00 0.00 C ATOM 954 O ARG A 57 -0.693 -9.258 7.176 1.00 0.00 O ATOM 955 CB ARG A 57 -0.233 -12.359 8.395 1.00 0.00 C ATOM 956 CG ARG A 57 -1.341 -13.105 9.126 1.00 0.00 C ATOM 957 CD ARG A 57 -2.019 -14.116 8.227 1.00 0.00 C ATOM 958 NE ARG A 57 -2.999 -14.922 8.942 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.348 -16.153 8.582 1.00 0.00 C ATOM 960 NH1 ARG A 57 -2.813 -16.700 7.500 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.234 -16.830 9.296 1.00 0.00 N ATOM 0 H ARG A 57 0.147 -13.298 6.098 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.767 -11.503 7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.559 -13.064 8.143 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.200 -11.622 9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.926 -13.612 9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.079 -12.392 9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.510 -13.596 7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.266 -14.770 7.786 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.443 -14.518 9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.135 -16.177 6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.079 -17.644 7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.651 -16.407 10.125 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.499 -17.774 9.017 1.00 0.00 H new ATOM 975 N GLU A 58 1.265 -10.264 6.734 1.00 0.00 N ATOM 976 CA GLU A 58 1.974 -9.008 6.631 1.00 0.00 C ATOM 977 C GLU A 58 1.473 -8.214 5.429 1.00 0.00 C ATOM 978 O GLU A 58 1.407 -6.984 5.470 1.00 0.00 O ATOM 979 CB GLU A 58 3.482 -9.228 6.554 1.00 0.00 C ATOM 980 CG GLU A 58 4.278 -7.951 6.713 1.00 0.00 C ATOM 981 CD GLU A 58 5.768 -8.183 6.761 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.261 -8.703 7.793 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.458 -7.840 5.780 1.00 0.00 O ATOM 0 H GLU A 58 1.836 -11.095 6.577 1.00 0.00 H new ATOM 0 HA GLU A 58 1.775 -8.429 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.780 -9.934 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.728 -9.685 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.047 -7.281 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.965 -7.447 7.627 1.00 0.00 H new ATOM 990 N LEU A 59 1.087 -8.924 4.374 1.00 0.00 N ATOM 991 CA LEU A 59 0.567 -8.294 3.170 1.00 0.00 C ATOM 992 C LEU A 59 -0.723 -7.535 3.491 1.00 0.00 C ATOM 993 O LEU A 59 -0.920 -6.402 3.048 1.00 0.00 O ATOM 994 CB LEU A 59 0.310 -9.351 2.090 1.00 0.00 C ATOM 995 CG LEU A 59 0.038 -8.828 0.680 1.00 0.00 C ATOM 996 CD1 LEU A 59 1.220 -8.012 0.176 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.242 -9.983 -0.263 1.00 0.00 C ATOM 0 H LEU A 59 1.126 -9.942 4.331 1.00 0.00 H new ATOM 0 HA LEU A 59 1.305 -7.586 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.174 -10.014 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.542 -9.957 2.400 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.839 -8.182 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.008 -7.648 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.387 -7.165 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.112 -8.638 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.434 -9.597 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.621 -10.648 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.114 -10.535 0.087 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.590 -8.174 4.280 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.859 -7.574 4.699 1.00 0.00 C ATOM 1011 C ASP A 60 -2.625 -6.311 5.530 1.00 0.00 C ATOM 1012 O ASP A 60 -3.340 -5.321 5.387 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.696 -8.587 5.493 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.997 -8.000 6.010 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.889 -7.700 5.195 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.134 -7.844 7.242 1.00 0.00 O ATOM 0 H ASP A 60 -1.434 -9.114 4.644 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.409 -7.291 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.917 -9.445 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.109 -8.956 6.335 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.620 -6.351 6.385 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.279 -5.199 7.214 1.00 0.00 C ATOM 1023 C VAL A 61 -0.822 -4.013 6.351 1.00 0.00 C ATOM 1024 O VAL A 61 -1.275 -2.880 6.539 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.174 -5.550 8.236 1.00 0.00 C ATOM 1026 CG1 VAL A 61 0.185 -4.342 9.091 1.00 0.00 C ATOM 1027 CG2 VAL A 61 -0.613 -6.708 9.115 1.00 0.00 C ATOM 0 H VAL A 61 -1.023 -7.166 6.527 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.181 -4.916 7.757 1.00 0.00 H new ATOM 0 HB VAL A 61 0.716 -5.849 7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.965 -4.618 9.801 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.546 -3.537 8.450 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.698 -4.005 9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.176 -6.942 9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.520 -6.432 9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.812 -7.581 8.494 1.00 0.00 H new ATOM 1037 N VAL A 62 0.057 -4.289 5.394 1.00 0.00 N ATOM 1038 CA VAL A 62 0.596 -3.248 4.520 1.00 0.00 C ATOM 1039 C VAL A 62 -0.497 -2.621 3.651 1.00 0.00 C ATOM 1040 O VAL A 62 -0.547 -1.401 3.501 1.00 0.00 O ATOM 1041 CB VAL A 62 1.727 -3.786 3.610 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.283 -2.676 2.732 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.836 -4.405 4.444 1.00 0.00 C ATOM 0 H VAL A 62 0.413 -5.225 5.202 1.00 0.00 H new ATOM 0 HA VAL A 62 1.011 -2.483 5.177 1.00 0.00 H new ATOM 0 HB VAL A 62 1.306 -4.558 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.077 -3.075 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.487 -2.275 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.685 -1.881 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.621 -4.777 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.251 -3.652 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.433 -5.230 5.031 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.391 -3.428 3.115 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.433 -2.889 2.260 1.00 0.00 C ATOM 1055 C CYS A 63 -3.443 -2.088 3.082 1.00 0.00 C ATOM 1056 O CYS A 63 -4.014 -1.115 2.603 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.099 -3.998 1.433 1.00 0.00 C ATOM 1058 SG CYS A 63 -3.694 -5.401 2.383 1.00 0.00 S ATOM 0 H CYS A 63 -1.420 -4.438 3.251 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.977 -2.200 1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.937 -3.568 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.384 -4.357 0.692 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.636 -5.122 3.651 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.630 -2.486 4.345 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.543 -1.797 5.248 1.00 0.00 C ATOM 1066 C ALA A 64 -4.014 -0.421 5.629 1.00 0.00 C ATOM 1067 O ALA A 64 -4.751 0.568 5.577 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.752 -2.625 6.499 1.00 0.00 C ATOM 0 H ALA A 64 -3.156 -3.287 4.762 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.493 -1.666 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.435 -2.104 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.175 -3.592 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.796 -2.775 7.000 1.00 0.00 H new ATOM 1074 N MET A 65 -2.747 -0.353 6.016 1.00 0.00 N ATOM 1075 CA MET A 65 -2.152 0.924 6.402 1.00 0.00 C ATOM 1076 C MET A 65 -2.142 1.884 5.211 1.00 0.00 C ATOM 1077 O MET A 65 -2.346 3.090 5.367 1.00 0.00 O ATOM 1078 CB MET A 65 -0.729 0.738 6.959 1.00 0.00 C ATOM 1079 CG MET A 65 0.307 0.376 5.911 1.00 0.00 C ATOM 1080 SD MET A 65 1.975 0.245 6.574 1.00 0.00 S ATOM 1081 CE MET A 65 1.782 -1.165 7.651 1.00 0.00 C ATOM 0 H MET A 65 -2.117 -1.153 6.071 1.00 0.00 H new ATOM 0 HA MET A 65 -2.763 1.353 7.196 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.422 1.659 7.455 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.748 -0.042 7.720 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.031 -0.572 5.450 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.295 1.129 5.123 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.767 -0.831 8.688 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.846 -1.674 7.420 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.615 -1.852 7.503 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.926 1.330 4.020 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.942 2.110 2.792 1.00 0.00 C ATOM 1093 C ILE A 66 -3.353 2.645 2.509 1.00 0.00 C ATOM 1094 O ILE A 66 -3.516 3.794 2.107 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.395 1.287 1.573 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.117 1.526 1.380 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -2.142 1.618 0.287 1.00 0.00 C ATOM 1098 CD1 ILE A 66 0.970 1.205 2.589 1.00 0.00 C ATOM 0 H ILE A 66 -1.737 0.337 3.883 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.274 2.960 2.932 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.561 0.234 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.461 0.923 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.274 2.570 1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.734 1.028 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.200 1.385 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.028 2.679 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.017 1.404 2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.659 1.826 3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.849 0.154 2.851 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.369 1.819 2.774 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.765 2.212 2.565 1.00 0.00 C ATOM 1112 C GLU A 67 -6.149 3.330 3.525 1.00 0.00 C ATOM 1113 O GLU A 67 -6.916 4.233 3.179 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.692 1.010 2.767 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.757 0.057 1.581 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.661 0.560 0.473 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.884 0.306 0.546 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -7.168 1.201 -0.471 1.00 0.00 O ATOM 0 H GLU A 67 -4.250 0.872 3.134 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.873 2.573 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.361 0.455 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.697 1.374 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.753 -0.092 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.113 -0.915 1.921 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.603 3.265 4.737 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.880 4.269 5.736 1.00 0.00 C ATOM 1127 C GLY A 68 -5.314 5.617 5.355 1.00 0.00 C ATOM 1128 O GLY A 68 -6.010 6.636 5.412 1.00 0.00 O ATOM 0 H GLY A 68 -4.969 2.526 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.958 4.354 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.459 3.956 6.691 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.046 5.618 4.950 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.378 6.839 4.538 1.00 0.00 C ATOM 1134 C ALA A 69 -3.992 7.371 3.255 1.00 0.00 C ATOM 1135 O ALA A 69 -4.183 8.576 3.115 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.887 6.597 4.358 1.00 0.00 C ATOM 0 H ALA A 69 -3.464 4.782 4.900 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.511 7.587 5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.403 7.523 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.457 6.260 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.732 5.834 3.595 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.331 6.462 2.336 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.944 6.837 1.061 1.00 0.00 C ATOM 1144 C GLN A 70 -6.230 7.603 1.314 1.00 0.00 C ATOM 1145 O GLN A 70 -6.496 8.606 0.682 1.00 0.00 O ATOM 1146 CB GLN A 70 -5.249 5.588 0.213 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.389 5.446 -1.037 1.00 0.00 C ATOM 1148 CD GLN A 70 -4.809 6.393 -2.146 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -4.339 7.525 -2.223 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -5.677 5.924 -3.031 1.00 0.00 N ATOM 0 H GLN A 70 -4.190 5.459 2.453 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.242 7.467 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.115 4.702 0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.297 5.613 -0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.347 5.634 -0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.448 4.420 -1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.045 4.978 -2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.977 6.509 -3.811 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.995 7.129 2.283 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.249 7.767 2.623 1.00 0.00 C ATOM 1161 C GLY A 71 -8.055 9.155 3.210 1.00 0.00 C ATOM 1162 O GLY A 71 -8.763 10.106 2.853 1.00 0.00 O ATOM 0 H GLY A 71 -6.768 6.308 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.871 7.837 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.787 7.145 3.339 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.066 9.273 4.093 1.00 0.00 N ATOM 1167 CA ALA A 72 -6.791 10.519 4.793 1.00 0.00 C ATOM 1168 C ALA A 72 -6.301 11.600 3.834 1.00 0.00 C ATOM 1169 O ALA A 72 -6.926 12.660 3.701 1.00 0.00 O ATOM 1170 CB ALA A 72 -5.775 10.292 5.903 1.00 0.00 C ATOM 0 H ALA A 72 -6.437 8.509 4.341 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.724 10.865 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.581 11.234 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.169 9.566 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.847 9.914 5.475 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.181 11.322 3.162 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.581 12.283 2.245 1.00 0.00 C ATOM 1178 C LEU A 73 -5.534 12.659 1.122 1.00 0.00 C ATOM 1179 O LEU A 73 -5.544 13.803 0.677 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.220 11.774 1.701 1.00 0.00 C ATOM 1181 CG LEU A 73 -3.214 10.427 0.950 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -3.573 10.602 -0.519 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.859 9.748 1.092 1.00 0.00 C ATOM 0 H LEU A 73 -4.675 10.440 3.238 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.383 13.193 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.819 12.535 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.530 11.694 2.541 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.976 9.791 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.558 9.632 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.569 11.036 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.849 11.263 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.870 8.799 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.084 10.391 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.651 9.568 2.147 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.345 11.697 0.685 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.304 11.926 -0.384 1.00 0.00 C ATOM 1197 C GLU A 74 -8.289 13.019 0.015 1.00 0.00 C ATOM 1198 O GLU A 74 -8.439 14.006 -0.687 1.00 0.00 O ATOM 1199 CB GLU A 74 -8.031 10.619 -0.719 1.00 0.00 C ATOM 1200 CG GLU A 74 -8.827 10.652 -2.012 1.00 0.00 C ATOM 1201 CD GLU A 74 -10.317 10.557 -1.780 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -10.934 11.568 -1.399 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -10.889 9.466 -1.989 1.00 0.00 O ATOM 0 H GLU A 74 -6.353 10.748 1.060 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.776 12.262 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.297 9.816 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.705 10.373 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.605 11.575 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.509 9.828 -2.651 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.918 12.858 1.178 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.885 13.850 1.665 1.00 0.00 C ATOM 1212 C ARG A 75 -9.238 15.226 1.810 1.00 0.00 C ATOM 1213 O ARG A 75 -9.872 16.252 1.541 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.490 13.418 3.001 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.291 12.133 2.927 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.448 12.253 1.949 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.361 11.263 0.880 1.00 0.00 N ATOM 1218 CZ ARG A 75 -13.079 10.143 0.839 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -13.947 9.863 1.811 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -12.922 9.295 -0.171 1.00 0.00 N ATOM 0 H ARG A 75 -8.780 12.060 1.798 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.682 13.916 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.688 13.293 3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.134 14.215 3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.639 11.314 2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.674 11.884 3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.390 12.129 2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.456 13.254 1.517 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.709 11.441 0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.064 10.509 2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.494 9.003 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.253 9.503 -0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.471 8.436 -0.205 1.00 0.00 H new ATOM 1234 N GLU A 76 -7.985 15.243 2.223 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.257 16.492 2.393 1.00 0.00 C ATOM 1236 C GLU A 76 -6.979 17.151 1.050 1.00 0.00 C ATOM 1237 O GLU A 76 -7.339 18.302 0.841 1.00 0.00 O ATOM 1238 CB GLU A 76 -5.947 16.247 3.136 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.132 15.862 4.591 1.00 0.00 C ATOM 1240 CD GLU A 76 -6.755 16.972 5.406 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -6.019 17.886 5.835 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -7.981 16.935 5.635 1.00 0.00 O ATOM 0 H GLU A 76 -7.447 14.406 2.448 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.879 17.165 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.394 15.457 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.336 17.148 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.761 14.974 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.165 15.599 5.020 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.342 16.426 0.140 1.00 0.00 N ATOM 1250 CA LEU A 77 -6.021 16.975 -1.178 1.00 0.00 C ATOM 1251 C LEU A 77 -7.275 17.376 -1.952 1.00 0.00 C ATOM 1252 O LEU A 77 -7.230 18.223 -2.835 1.00 0.00 O ATOM 1253 CB LEU A 77 -5.118 16.007 -1.987 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.640 14.577 -2.231 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.672 14.537 -3.346 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -4.486 13.641 -2.546 1.00 0.00 C ATOM 0 H LEU A 77 -6.038 15.463 0.285 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.451 17.891 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.922 16.463 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.161 15.931 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.130 14.244 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.015 13.512 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.519 15.170 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.223 14.900 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.870 12.635 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.970 13.988 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.790 13.627 -1.708 1.00 0.00 H new ATOM 1268 N LYS A 78 -8.397 16.800 -1.575 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.650 17.084 -2.242 1.00 0.00 C ATOM 1270 C LYS A 78 -10.190 18.461 -1.849 1.00 0.00 C ATOM 1271 O LYS A 78 -11.162 18.946 -2.426 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.678 16.002 -1.974 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.391 14.721 -2.742 1.00 0.00 C ATOM 1274 CD LYS A 78 -10.614 14.885 -4.238 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.995 13.724 -5.002 1.00 0.00 C ATOM 1276 NZ LYS A 78 -10.235 13.818 -6.462 1.00 0.00 N ATOM 0 H LYS A 78 -8.467 16.131 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.452 17.096 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.701 15.784 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.667 16.370 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.361 14.414 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.031 13.923 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.682 14.937 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.176 15.824 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.922 13.699 -4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.406 12.786 -4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.795 13.006 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.259 13.815 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.820 14.700 -6.826 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.559 19.065 -0.839 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.992 20.346 -0.275 1.00 0.00 C ATOM 1292 C ARG A 79 -10.202 21.422 -1.342 1.00 0.00 C ATOM 1293 O ARG A 79 -11.308 21.952 -1.475 1.00 0.00 O ATOM 1294 CB ARG A 79 -8.982 20.820 0.778 1.00 0.00 C ATOM 1295 CG ARG A 79 -9.241 22.210 1.333 1.00 0.00 C ATOM 1296 CD ARG A 79 -8.228 22.559 2.412 1.00 0.00 C ATOM 1297 NE ARG A 79 -8.241 23.984 2.741 1.00 0.00 N ATOM 1298 CZ ARG A 79 -7.466 24.549 3.670 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -6.673 23.802 4.430 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -7.494 25.861 3.849 1.00 0.00 N ATOM 0 H ARG A 79 -8.730 18.678 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.962 20.182 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.980 20.109 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.985 20.800 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.189 22.943 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.249 22.260 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.441 21.979 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.230 22.274 2.078 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.884 24.586 2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.653 22.790 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.084 24.241 5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.108 26.441 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.902 26.292 4.559 1.00 0.00 H new ATOM 1314 N THR A 80 -9.159 21.755 -2.091 1.00 0.00 N ATOM 1315 CA THR A 80 -9.273 22.767 -3.132 1.00 0.00 C ATOM 1316 C THR A 80 -8.154 22.627 -4.172 1.00 0.00 C ATOM 1317 O THR A 80 -7.200 23.417 -4.186 1.00 0.00 O ATOM 1318 CB THR A 80 -9.228 24.211 -2.541 1.00 0.00 C ATOM 1319 OG1 THR A 80 -10.137 24.329 -1.434 1.00 0.00 O ATOM 1320 CG2 THR A 80 -9.608 25.235 -3.598 1.00 0.00 C ATOM 0 H THR A 80 -8.231 21.342 -1.998 1.00 0.00 H new ATOM 0 HA THR A 80 -10.239 22.607 -3.612 1.00 0.00 H new ATOM 0 HB THR A 80 -8.210 24.400 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.883 23.706 -1.556 1.00 0.00 H new ATOM 0 HG21 THR A 80 -9.570 26.235 -3.166 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.909 25.174 -4.432 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.618 25.032 -3.955 1.00 0.00 H new ATOM 1328 N ASP A 81 -8.232 21.604 -5.017 1.00 0.00 N ATOM 1329 CA ASP A 81 -7.246 21.413 -6.078 1.00 0.00 C ATOM 1330 C ASP A 81 -7.473 22.366 -7.254 1.00 0.00 C ATOM 1331 O ASP A 81 -7.570 21.941 -8.402 1.00 0.00 O ATOM 1332 CB ASP A 81 -7.276 19.951 -6.574 1.00 0.00 C ATOM 1333 CG ASP A 81 -8.646 19.519 -7.094 1.00 0.00 C ATOM 1334 OD1 ASP A 81 -9.574 19.363 -6.277 1.00 0.00 O ATOM 1335 OD2 ASP A 81 -8.796 19.312 -8.317 1.00 0.00 O ATOM 0 H ASP A 81 -8.965 20.895 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.267 21.638 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.538 19.828 -7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.980 19.291 -5.758 1.00 0.00 H new ATOM 1340 N LEU A 82 -7.542 23.653 -6.984 1.00 0.00 N ATOM 1341 CA LEU A 82 -7.716 24.616 -8.042 1.00 0.00 C ATOM 1342 C LEU A 82 -6.348 24.961 -8.610 1.00 0.00 C ATOM 1343 O LEU A 82 -5.670 25.855 -8.106 1.00 0.00 O ATOM 1344 CB LEU A 82 -8.446 25.875 -7.518 1.00 0.00 C ATOM 1345 CG LEU A 82 -9.181 26.745 -8.565 1.00 0.00 C ATOM 1346 CD1 LEU A 82 -8.209 27.420 -9.519 1.00 0.00 C ATOM 1347 CD2 LEU A 82 -10.199 25.913 -9.337 1.00 0.00 C ATOM 0 H LEU A 82 -7.480 24.051 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.336 24.195 -8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.173 25.559 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.716 26.503 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.709 27.530 -8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.764 28.022 -10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.532 28.062 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.633 26.661 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.705 26.544 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.688 25.099 -9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.933 25.501 -8.644 1.00 0.00 H new ATOM 1359 N ASN A 83 -5.954 24.230 -9.647 1.00 0.00 N ATOM 1360 CA ASN A 83 -4.636 24.366 -10.276 1.00 0.00 C ATOM 1361 C ASN A 83 -4.432 23.245 -11.278 1.00 0.00 C ATOM 1362 O ASN A 83 -4.583 22.072 -10.938 1.00 0.00 O ATOM 1363 CB ASN A 83 -3.526 24.305 -9.233 1.00 0.00 C ATOM 1364 CG ASN A 83 -2.179 24.661 -9.814 1.00 0.00 C ATOM 1365 OD1 ASN A 83 -1.444 23.792 -10.283 1.00 0.00 O ATOM 1366 ND2 ASN A 83 -1.850 25.935 -9.791 1.00 0.00 N ATOM 0 H ASN A 83 -6.542 23.519 -10.082 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.596 25.333 -10.778 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.759 24.988 -8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.483 23.302 -8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.954 26.237 -10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.492 26.620 -9.392 1.00 0.00 H new ATOM 1373 N ILE A 84 -4.094 23.602 -12.501 1.00 0.00 N ATOM 1374 CA ILE A 84 -3.912 22.623 -13.570 1.00 0.00 C ATOM 1375 C ILE A 84 -2.838 21.585 -13.228 1.00 0.00 C ATOM 1376 O ILE A 84 -3.016 20.390 -13.480 1.00 0.00 O ATOM 1377 CB ILE A 84 -3.564 23.300 -14.917 1.00 0.00 C ATOM 1378 CG1 ILE A 84 -4.620 24.349 -15.273 1.00 0.00 C ATOM 1379 CG2 ILE A 84 -3.457 22.257 -16.023 1.00 0.00 C ATOM 1380 CD1 ILE A 84 -4.320 25.116 -16.543 1.00 0.00 C ATOM 0 H ILE A 84 -3.937 24.569 -12.787 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.868 22.110 -13.671 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.600 23.798 -14.817 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.587 23.856 -15.378 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.710 25.054 -14.447 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.212 22.749 -16.964 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.674 21.541 -15.773 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.408 21.735 -16.124 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.114 25.840 -16.727 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.370 25.639 -16.436 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.260 24.422 -17.382 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.746 22.041 -12.624 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.626 21.170 -12.298 1.00 0.00 C ATOM 1394 C LEU A 85 -1.005 20.244 -11.151 1.00 0.00 C ATOM 1395 O LEU A 85 -0.793 19.032 -11.227 1.00 0.00 O ATOM 1396 CB LEU A 85 0.608 22.028 -11.932 1.00 0.00 C ATOM 1397 CG LEU A 85 1.989 21.326 -11.907 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.141 20.424 -10.689 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.218 20.537 -13.191 1.00 0.00 C ATOM 0 H LEU A 85 -1.614 23.014 -12.350 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.377 20.555 -13.163 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.664 22.855 -12.640 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.435 22.463 -10.948 1.00 0.00 H new ATOM 0 HG LEU A 85 2.749 22.104 -11.837 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.122 19.950 -10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.043 21.019 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.367 19.657 -10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.194 20.053 -13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.441 19.780 -13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.183 21.214 -14.045 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.575 20.816 -10.089 1.00 0.00 N ATOM 1412 CA GLU A 86 -1.989 20.024 -8.940 1.00 0.00 C ATOM 1413 C GLU A 86 -2.960 18.937 -9.354 1.00 0.00 C ATOM 1414 O GLU A 86 -2.813 17.793 -8.955 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.614 20.891 -7.847 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.639 21.848 -7.182 1.00 0.00 C ATOM 1417 CD GLU A 86 -2.253 22.561 -5.994 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -2.410 21.925 -4.933 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -2.568 23.766 -6.113 1.00 0.00 O ATOM 0 H GLU A 86 -1.757 21.816 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.090 19.562 -8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.434 21.466 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.046 20.242 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.757 21.296 -6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.302 22.585 -7.911 1.00 0.00 H new ATOM 1426 N ARG A 87 -3.928 19.290 -10.190 1.00 0.00 N ATOM 1427 CA ARG A 87 -4.926 18.331 -10.642 1.00 0.00 C ATOM 1428 C ARG A 87 -4.278 17.185 -11.410 1.00 0.00 C ATOM 1429 O ARG A 87 -4.638 16.024 -11.240 1.00 0.00 O ATOM 1430 CB ARG A 87 -5.989 19.014 -11.487 1.00 0.00 C ATOM 1431 CG ARG A 87 -6.823 20.016 -10.708 1.00 0.00 C ATOM 1432 CD ARG A 87 -7.957 20.576 -11.544 1.00 0.00 C ATOM 1433 NE ARG A 87 -7.479 21.288 -12.729 1.00 0.00 N ATOM 1434 CZ ARG A 87 -7.679 20.873 -13.980 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -8.295 19.718 -14.207 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -7.251 21.609 -15.000 1.00 0.00 N ATOM 0 H ARG A 87 -4.043 20.231 -10.568 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.410 17.912 -9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.508 19.523 -12.322 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.647 18.257 -11.912 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.230 19.536 -9.818 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.186 20.832 -10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.613 19.762 -11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.555 21.253 -10.933 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.961 22.155 -12.590 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.615 19.148 -13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.448 19.401 -15.164 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.770 22.491 -14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.404 21.292 -15.957 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.305 17.531 -12.243 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.567 16.555 -13.032 1.00 0.00 C ATOM 1452 C PHE A 88 -1.803 15.596 -12.115 1.00 0.00 C ATOM 1453 O PHE A 88 -1.818 14.380 -12.314 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.603 17.293 -13.978 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.752 16.399 -14.831 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.301 15.699 -15.893 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.601 16.268 -14.574 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.513 14.885 -16.683 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.394 15.453 -15.359 1.00 0.00 C ATOM 1460 CZ PHE A 88 0.835 14.761 -16.415 1.00 0.00 C ATOM 0 H PHE A 88 -3.006 18.495 -12.390 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.265 15.964 -13.626 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.184 17.947 -14.628 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.951 17.933 -13.383 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.356 15.791 -16.105 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.043 16.809 -13.750 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.951 14.346 -17.510 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.449 15.357 -15.147 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.452 14.123 -17.031 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.165 16.161 -11.103 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.411 15.376 -10.129 1.00 0.00 C ATOM 1472 C ASN A 89 -1.338 14.483 -9.310 1.00 0.00 C ATOM 1473 O ASN A 89 -1.066 13.297 -9.131 1.00 0.00 O ATOM 1474 CB ASN A 89 0.421 16.280 -9.209 1.00 0.00 C ATOM 1475 CG ASN A 89 1.697 16.783 -9.874 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.770 16.923 -11.092 1.00 0.00 O ATOM 1477 ND2 ASN A 89 2.711 17.061 -9.071 1.00 0.00 N ATOM 0 H ASN A 89 -1.152 17.166 -10.931 1.00 0.00 H new ATOM 0 HA ASN A 89 0.276 14.737 -10.683 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.184 17.133 -8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.680 15.730 -8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.590 17.404 -9.459 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.614 16.932 -8.064 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.432 15.064 -8.811 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.444 14.316 -8.047 1.00 0.00 C ATOM 1486 C TYR A 90 -3.949 13.123 -8.842 1.00 0.00 C ATOM 1487 O TYR A 90 -3.906 11.979 -8.373 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.635 15.227 -7.705 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.390 16.226 -6.595 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.115 16.682 -6.298 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.445 16.717 -5.848 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.898 17.599 -5.294 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.239 17.630 -4.843 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.963 18.072 -4.568 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.750 18.996 -3.565 1.00 0.00 O ATOM 0 H TYR A 90 -2.644 16.056 -8.921 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.974 13.963 -7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.924 15.772 -8.604 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.482 14.600 -7.426 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.275 16.310 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.448 16.377 -6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.897 17.944 -5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.075 18.001 -4.269 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.606 19.230 -3.148 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.412 13.402 -10.049 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.931 12.381 -10.938 1.00 0.00 C ATOM 1507 C GLU A 91 -3.890 11.305 -11.222 1.00 0.00 C ATOM 1508 O GLU A 91 -4.185 10.114 -11.132 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.431 13.010 -12.232 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.735 13.772 -12.074 1.00 0.00 C ATOM 1511 CD GLU A 91 -7.293 14.238 -13.395 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -7.617 13.375 -14.242 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -7.417 15.458 -13.601 1.00 0.00 O ATOM 0 H GLU A 91 -4.438 14.344 -10.439 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.771 11.897 -10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.668 13.688 -12.615 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.566 12.227 -12.978 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.467 13.135 -11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.573 14.634 -11.427 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.666 11.723 -11.542 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.606 10.776 -11.854 1.00 0.00 C ATOM 1522 C GLU A 92 -1.265 9.905 -10.651 1.00 0.00 C ATOM 1523 O GLU A 92 -1.183 8.681 -10.773 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.349 11.480 -12.378 1.00 0.00 C ATOM 1525 CG GLU A 92 0.756 10.512 -12.781 1.00 0.00 C ATOM 1526 CD GLU A 92 1.935 11.192 -13.436 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.785 11.747 -12.716 1.00 0.00 O ATOM 1528 OE2 GLU A 92 2.032 11.155 -14.678 1.00 0.00 O ATOM 0 H GLU A 92 -2.389 12.703 -11.591 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.984 10.131 -12.647 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.616 12.095 -13.238 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.029 12.154 -11.609 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.100 9.975 -11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.347 9.769 -13.466 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.083 10.529 -9.483 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.757 9.797 -8.269 1.00 0.00 C ATOM 1537 C ALA A 93 -1.809 8.749 -7.969 1.00 0.00 C ATOM 1538 O ALA A 93 -1.483 7.602 -7.676 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.608 10.752 -7.093 1.00 0.00 C ATOM 0 H ALA A 93 -1.157 11.539 -9.359 1.00 0.00 H new ATOM 0 HA ALA A 93 0.194 9.288 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.364 10.186 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.190 11.464 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.543 11.290 -6.941 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.078 9.142 -8.058 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.175 8.217 -7.819 1.00 0.00 C ATOM 1547 C GLN A 94 -4.194 7.117 -8.866 1.00 0.00 C ATOM 1548 O GLN A 94 -4.505 5.971 -8.560 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.518 8.944 -7.780 1.00 0.00 C ATOM 1550 CG GLN A 94 -5.745 9.752 -6.511 1.00 0.00 C ATOM 1551 CD GLN A 94 -5.615 8.905 -5.253 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -6.577 8.290 -4.805 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -4.428 8.879 -4.676 1.00 0.00 N ATOM 0 H GLN A 94 -3.368 10.091 -8.293 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.013 7.760 -6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.584 9.610 -8.640 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.319 8.212 -7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.026 10.570 -6.471 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.738 10.201 -6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.653 9.405 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.286 8.333 -3.826 1.00 0.00 H new ATOM 1562 N THR A 95 -3.848 7.469 -10.098 1.00 0.00 N ATOM 1563 CA THR A 95 -3.769 6.488 -11.167 1.00 0.00 C ATOM 1564 C THR A 95 -2.757 5.403 -10.799 1.00 0.00 C ATOM 1565 O THR A 95 -3.035 4.208 -10.916 1.00 0.00 O ATOM 1566 CB THR A 95 -3.371 7.130 -12.514 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.327 8.147 -12.868 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.318 6.073 -13.615 1.00 0.00 C ATOM 0 H THR A 95 -3.619 8.423 -10.379 1.00 0.00 H new ATOM 0 HA THR A 95 -4.761 6.051 -11.286 1.00 0.00 H new ATOM 0 HB THR A 95 -2.383 7.577 -12.409 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.369 8.819 -12.156 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.036 6.543 -14.557 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.582 5.313 -13.354 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.298 5.608 -13.721 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.609 5.828 -10.292 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.568 4.901 -9.900 1.00 0.00 C ATOM 1578 C LEU A 96 -0.993 4.143 -8.650 1.00 0.00 C ATOM 1579 O LEU A 96 -0.730 2.951 -8.515 1.00 0.00 O ATOM 1580 CB LEU A 96 0.750 5.640 -9.640 1.00 0.00 C ATOM 1581 CG LEU A 96 1.282 6.487 -10.805 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.548 7.222 -10.398 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.538 5.620 -12.029 1.00 0.00 C ATOM 0 H LEU A 96 -1.379 6.811 -10.144 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.411 4.194 -10.715 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.616 6.289 -8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.510 4.906 -9.373 1.00 0.00 H new ATOM 0 HG LEU A 96 0.523 7.226 -11.062 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.909 7.816 -11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.333 7.878 -9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.312 6.499 -10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.914 6.241 -12.842 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.275 4.855 -11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.608 5.142 -12.338 1.00 0.00 H new ATOM 1595 N SER A 97 -1.679 4.847 -7.750 1.00 0.00 N ATOM 1596 CA SER A 97 -2.156 4.263 -6.508 1.00 0.00 C ATOM 1597 C SER A 97 -3.094 3.092 -6.772 1.00 0.00 C ATOM 1598 O SER A 97 -2.907 1.997 -6.243 1.00 0.00 O ATOM 1599 CB SER A 97 -2.851 5.319 -5.646 1.00 0.00 C ATOM 1600 OG SER A 97 -1.973 6.395 -5.354 1.00 0.00 O ATOM 0 H SER A 97 -1.916 5.832 -7.865 1.00 0.00 H new ATOM 0 HA SER A 97 -1.290 3.885 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.733 5.695 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.197 4.865 -4.717 1.00 0.00 H new ATOM 0 HG SER A 97 -1.732 6.856 -6.185 1.00 0.00 H new ATOM 1606 N LYS A 98 -4.103 3.337 -7.619 1.00 0.00 N ATOM 1607 CA LYS A 98 -5.102 2.332 -7.953 1.00 0.00 C ATOM 1608 C LYS A 98 -4.456 1.121 -8.609 1.00 0.00 C ATOM 1609 O LYS A 98 -4.792 -0.020 -8.292 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.164 2.927 -8.889 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.939 4.096 -8.293 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.987 4.638 -9.265 1.00 0.00 C ATOM 1613 CE LYS A 98 -7.356 5.180 -10.543 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.369 5.754 -11.465 1.00 0.00 N ATOM 0 H LYS A 98 -4.243 4.233 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.580 2.011 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.678 3.258 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.868 2.143 -9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.428 3.776 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.245 4.893 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.692 3.846 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.557 5.429 -8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.623 5.945 -10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.818 4.379 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.897 6.111 -12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.055 5.018 -11.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.865 6.536 -10.992 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.517 1.376 -9.524 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.813 0.301 -10.210 1.00 0.00 C ATOM 1630 C ILE A 99 -2.035 -0.564 -9.210 1.00 0.00 C ATOM 1631 O ILE A 99 -2.061 -1.797 -9.282 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.862 0.845 -11.330 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.609 0.971 -12.674 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.630 -0.045 -11.494 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -3.857 1.826 -12.630 1.00 0.00 C ATOM 0 H ILE A 99 -3.231 2.315 -9.803 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.565 -0.320 -10.696 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.529 1.836 -11.022 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.927 1.387 -13.415 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.882 -0.027 -13.017 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.009 0.360 -12.279 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.077 -0.077 -10.555 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.943 -1.053 -11.765 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.313 1.855 -13.620 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.564 1.402 -11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.594 2.838 -12.322 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.370 0.098 -8.264 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.591 -0.597 -7.250 1.00 0.00 C ATOM 1649 C LEU A 100 -1.488 -1.428 -6.351 1.00 0.00 C ATOM 1650 O LEU A 100 -1.201 -2.590 -6.081 1.00 0.00 O ATOM 1651 CB LEU A 100 0.238 0.384 -6.418 1.00 0.00 C ATOM 1652 CG LEU A 100 1.400 1.063 -7.150 1.00 0.00 C ATOM 1653 CD1 LEU A 100 2.106 2.043 -6.230 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.382 0.023 -7.677 1.00 0.00 C ATOM 0 H LEU A 100 -1.357 1.115 -8.182 1.00 0.00 H new ATOM 0 HA LEU A 100 0.096 -1.268 -7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.427 1.158 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.638 -0.149 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 100 0.997 1.615 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.929 2.517 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.400 2.806 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.496 1.511 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.200 0.524 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.780 -0.557 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.869 -0.643 -8.370 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.593 -0.833 -5.909 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.555 -1.521 -5.054 1.00 0.00 C ATOM 1668 C LEU A 101 -4.073 -2.774 -5.742 1.00 0.00 C ATOM 1669 O LEU A 101 -4.223 -3.825 -5.112 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.726 -0.594 -4.703 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.375 0.648 -3.875 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -5.614 1.466 -3.597 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.699 0.247 -2.577 1.00 0.00 C ATOM 0 H LEU A 101 -2.845 0.130 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.049 -1.807 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.195 -0.267 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.470 -1.173 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.680 1.261 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.346 2.343 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.059 1.784 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.332 0.862 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.457 1.141 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.371 -0.387 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.783 -0.302 -2.798 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.324 -2.659 -7.039 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.779 -3.786 -7.833 1.00 0.00 C ATOM 1687 C LYS A 102 -3.739 -4.904 -7.805 1.00 0.00 C ATOM 1688 O LYS A 102 -4.077 -6.066 -7.559 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.026 -3.361 -9.278 1.00 0.00 C ATOM 1690 CG LYS A 102 -5.519 -4.489 -10.170 1.00 0.00 C ATOM 1691 CD LYS A 102 -5.328 -4.170 -11.644 1.00 0.00 C ATOM 1692 CE LYS A 102 -3.848 -4.105 -12.012 1.00 0.00 C ATOM 1693 NZ LYS A 102 -3.644 -3.908 -13.467 1.00 0.00 N ATOM 0 H LYS A 102 -4.219 -1.791 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.714 -4.148 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.758 -2.554 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.101 -2.959 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.984 -5.406 -9.925 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.575 -4.673 -9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.822 -4.930 -12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.805 -3.218 -11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.375 -3.289 -11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.356 -5.026 -11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.625 -3.870 -13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.073 -4.699 -13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.091 -3.017 -13.763 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.474 -4.555 -8.041 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.414 -5.561 -8.094 1.00 0.00 C ATOM 1709 C ASP A 103 -1.199 -6.215 -6.724 1.00 0.00 C ATOM 1710 O ASP A 103 -0.831 -7.392 -6.647 1.00 0.00 O ATOM 1711 CB ASP A 103 -0.106 -4.968 -8.628 1.00 0.00 C ATOM 1712 CG ASP A 103 0.669 -5.961 -9.492 1.00 0.00 C ATOM 1713 OD1 ASP A 103 0.152 -6.349 -10.565 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.786 -6.352 -9.111 1.00 0.00 O ATOM 0 H ASP A 103 -2.161 -3.597 -8.197 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.736 -6.336 -8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.326 -4.075 -9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.517 -4.655 -7.790 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.441 -5.469 -5.633 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.348 -6.038 -4.285 1.00 0.00 C ATOM 1721 C LEU A 104 -2.376 -7.149 -4.116 1.00 0.00 C ATOM 1722 O LEU A 104 -2.049 -8.262 -3.689 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.599 -4.950 -3.216 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.364 -4.245 -2.624 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.504 -5.227 -1.862 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.440 -3.544 -3.702 1.00 0.00 C ATOM 0 H LEU A 104 -1.699 -4.483 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.344 -6.442 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.245 -4.189 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.154 -5.405 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.719 -3.487 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.370 -4.706 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.073 -5.667 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.840 -6.015 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.305 -3.056 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.777 -4.275 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.183 -2.797 -4.193 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.627 -6.831 -4.451 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.728 -7.792 -4.353 1.00 0.00 C ATOM 1740 C LYS A 105 -4.485 -8.997 -5.268 1.00 0.00 C ATOM 1741 O LYS A 105 -4.898 -10.109 -4.966 1.00 0.00 O ATOM 1742 CB LYS A 105 -6.062 -7.115 -4.703 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.319 -5.805 -3.954 1.00 0.00 C ATOM 1744 CD LYS A 105 -6.425 -5.989 -2.435 1.00 0.00 C ATOM 1745 CE LYS A 105 -7.806 -6.486 -1.997 1.00 0.00 C ATOM 1746 NZ LYS A 105 -7.994 -7.940 -2.223 1.00 0.00 N ATOM 0 H LYS A 105 -3.905 -5.911 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.776 -8.150 -3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.086 -6.918 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.875 -7.808 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.513 -5.104 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.241 -5.357 -4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.666 -6.698 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.211 -5.041 -1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.947 -6.267 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.574 -5.936 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.648 -8.321 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.389 -8.096 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.077 -8.425 -2.146 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.793 -8.766 -6.374 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.463 -9.832 -7.310 1.00 0.00 C ATOM 1762 C GLU A 106 -2.464 -10.786 -6.655 1.00 0.00 C ATOM 1763 O GLU A 106 -2.568 -12.015 -6.771 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.854 -9.230 -8.584 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.560 -10.240 -9.681 1.00 0.00 C ATOM 1766 CD GLU A 106 -3.815 -10.843 -10.263 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -4.404 -10.233 -11.186 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -4.220 -11.925 -9.815 1.00 0.00 O ATOM 0 H GLU A 106 -3.448 -7.846 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.367 -10.381 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.536 -8.475 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.928 -8.718 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.992 -9.754 -10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.931 -11.035 -9.280 1.00 0.00 H new ATOM 1775 N THR A 107 -1.515 -10.202 -5.948 1.00 0.00 N ATOM 1776 CA THR A 107 -0.491 -10.955 -5.263 1.00 0.00 C ATOM 1777 C THR A 107 -1.102 -11.855 -4.183 1.00 0.00 C ATOM 1778 O THR A 107 -0.835 -13.059 -4.165 1.00 0.00 O ATOM 1779 CB THR A 107 0.553 -10.009 -4.638 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.079 -9.146 -5.656 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.697 -10.798 -4.007 1.00 0.00 C ATOM 0 H THR A 107 -1.436 -9.191 -5.835 1.00 0.00 H new ATOM 0 HA THR A 107 0.006 -11.588 -5.998 1.00 0.00 H new ATOM 0 HB THR A 107 0.066 -9.422 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.390 -8.506 -5.930 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.420 -10.107 -3.573 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.303 -11.448 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.186 -11.403 -4.770 1.00 0.00 H new ATOM 1789 N GLU A 108 -1.915 -11.282 -3.283 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.572 -12.077 -2.237 1.00 0.00 C ATOM 1791 C GLU A 108 -3.357 -13.248 -2.836 1.00 0.00 C ATOM 1792 O GLU A 108 -3.349 -14.347 -2.284 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.496 -11.209 -1.367 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.800 -10.829 -2.034 1.00 0.00 C ATOM 1795 CD GLU A 108 -5.860 -10.429 -1.048 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -6.452 -11.329 -0.412 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.111 -9.223 -0.901 1.00 0.00 O ATOM 0 H GLU A 108 -2.131 -10.285 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.784 -12.481 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.716 -11.745 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.965 -10.299 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.623 -10.005 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.159 -11.671 -2.626 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.029 -13.001 -3.972 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.786 -14.045 -4.661 1.00 0.00 C ATOM 1806 C GLN A 109 -3.895 -15.212 -5.017 1.00 0.00 C ATOM 1807 O GLN A 109 -4.294 -16.364 -4.891 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.467 -13.504 -5.913 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.614 -12.559 -5.625 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.230 -11.984 -6.882 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -7.223 -12.616 -7.946 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -7.778 -10.793 -6.771 1.00 0.00 N ATOM 0 H GLN A 109 -4.060 -12.089 -4.427 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.559 -14.392 -3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -4.727 -12.987 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.838 -14.341 -6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.381 -13.088 -5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.258 -11.744 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.762 -10.306 -5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.219 -10.357 -7.581 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.687 -14.911 -5.455 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.724 -15.946 -5.790 1.00 0.00 C ATOM 1823 C LYS A 110 -1.255 -16.681 -4.536 1.00 0.00 C ATOM 1824 O LYS A 110 -1.142 -17.907 -4.521 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.540 -15.365 -6.564 1.00 0.00 C ATOM 1826 CG LYS A 110 -0.731 -15.361 -8.080 1.00 0.00 C ATOM 1827 CD LYS A 110 -2.056 -14.733 -8.486 1.00 0.00 C ATOM 1828 CE LYS A 110 -2.265 -14.810 -9.985 1.00 0.00 C ATOM 1829 NZ LYS A 110 -3.637 -14.413 -10.369 1.00 0.00 N ATOM 0 H LYS A 110 -2.348 -13.958 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.220 -16.670 -6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.365 -14.343 -6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.355 -15.938 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.088 -14.814 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.685 -16.384 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.874 -15.242 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.080 -13.691 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.545 -14.162 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.071 -15.827 -10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.880 -14.844 -11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.308 -14.738 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.689 -13.377 -10.449 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.007 -15.914 -3.477 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.579 -16.472 -2.199 1.00 0.00 C ATOM 1845 C VAL A 111 -1.624 -17.448 -1.675 1.00 0.00 C ATOM 1846 O VAL A 111 -1.306 -18.576 -1.311 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.352 -15.357 -1.143 1.00 0.00 C ATOM 1848 CG1 VAL A 111 0.072 -15.949 0.195 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.682 -14.356 -1.635 1.00 0.00 C ATOM 0 H VAL A 111 -1.096 -14.898 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 111 0.364 -16.992 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.297 -14.835 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.224 -15.146 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.706 -16.621 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.001 -16.504 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.827 -13.582 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.627 -14.868 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.334 -13.899 -2.561 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.872 -17.006 -1.655 1.00 0.00 N ATOM 1860 CA LYS A 112 -3.975 -17.831 -1.185 1.00 0.00 C ATOM 1861 C LYS A 112 -4.298 -18.938 -2.197 1.00 0.00 C ATOM 1862 O LYS A 112 -5.001 -19.898 -1.884 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.208 -16.955 -0.901 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.891 -16.391 -2.142 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.458 -14.985 -1.900 1.00 0.00 C ATOM 1866 CE LYS A 112 -7.405 -14.939 -0.722 1.00 0.00 C ATOM 1867 NZ LYS A 112 -7.980 -13.581 -0.527 1.00 0.00 N ATOM 0 H LYS A 112 -3.148 -16.073 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.679 -18.315 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.934 -17.544 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.907 -16.126 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.177 -16.357 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.697 -17.059 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.636 -14.290 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.980 -14.648 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.211 -15.656 -0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.876 -15.243 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.501 -13.550 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.213 -12.879 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.629 -13.363 -1.310 1.00 0.00 H new ATOM 1881 N ASP A 113 -3.774 -18.784 -3.406 1.00 0.00 N ATOM 1882 CA ASP A 113 -3.950 -19.774 -4.473 1.00 0.00 C ATOM 1883 C ASP A 113 -3.043 -20.983 -4.264 1.00 0.00 C ATOM 1884 O ASP A 113 -3.378 -22.100 -4.673 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.668 -19.152 -5.848 1.00 0.00 C ATOM 1886 CG ASP A 113 -3.724 -20.154 -6.979 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -4.839 -20.559 -7.377 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -2.661 -20.539 -7.491 1.00 0.00 O ATOM 0 H ASP A 113 -3.216 -17.975 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.987 -20.107 -4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.393 -18.360 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.683 -18.685 -5.833 1.00 0.00 H new ATOM 1893 N ILE A 114 -1.905 -20.770 -3.619 1.00 0.00 N ATOM 1894 CA ILE A 114 -0.968 -21.861 -3.370 1.00 0.00 C ATOM 1895 C ILE A 114 -1.512 -22.809 -2.295 1.00 0.00 C ATOM 1896 O ILE A 114 -1.803 -22.413 -1.166 1.00 0.00 O ATOM 1897 CB ILE A 114 0.466 -21.335 -2.982 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.349 -21.182 -4.226 1.00 0.00 C ATOM 1899 CG2 ILE A 114 1.155 -22.255 -1.984 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.778 -20.285 -5.294 1.00 0.00 C ATOM 0 H ILE A 114 -1.608 -19.862 -3.261 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.864 -22.416 -4.302 1.00 0.00 H new ATOM 0 HB ILE A 114 0.328 -20.360 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.319 -20.790 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.525 -22.169 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.141 -21.857 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.557 -22.319 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.262 -23.249 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.469 -20.236 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.178 -20.685 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.629 -19.285 -4.888 1.00 0.00 H new ATOM 1912 N GLN A 115 -1.682 -24.053 -2.697 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.120 -25.088 -1.792 1.00 0.00 C ATOM 1914 C GLN A 115 -0.964 -25.481 -0.889 1.00 0.00 C ATOM 1915 O GLN A 115 0.108 -25.872 -1.362 1.00 0.00 O ATOM 1916 CB GLN A 115 -2.678 -26.325 -2.527 1.00 0.00 C ATOM 1917 CG GLN A 115 -1.640 -27.235 -3.187 1.00 0.00 C ATOM 1918 CD GLN A 115 -1.112 -26.730 -4.522 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -0.995 -25.527 -4.764 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -0.796 -27.652 -5.400 1.00 0.00 N ATOM 0 H GLN A 115 -1.521 -24.370 -3.653 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.941 -24.687 -1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.252 -26.918 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -3.374 -25.985 -3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.800 -27.362 -2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -2.082 -28.220 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -0.906 -28.639 -5.165 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -0.441 -27.382 -6.317 1.00 0.00 H new ATOM 1929 N THR A 116 -1.147 -25.316 0.388 1.00 0.00 N ATOM 1930 CA THR A 116 -0.109 -25.643 1.321 1.00 0.00 C ATOM 1931 C THR A 116 -0.474 -26.840 2.182 1.00 0.00 C ATOM 1932 O THR A 116 -1.581 -27.368 2.094 1.00 0.00 O ATOM 1933 CB THR A 116 0.217 -24.438 2.199 1.00 0.00 C ATOM 1934 OG1 THR A 116 -0.974 -23.983 2.865 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.777 -23.318 1.349 1.00 0.00 C ATOM 0 H THR A 116 -2.005 -24.957 0.807 1.00 0.00 H new ATOM 0 HA THR A 116 0.775 -25.913 0.743 1.00 0.00 H new ATOM 0 HB THR A 116 0.958 -24.732 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.011 -23.004 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.007 -22.461 1.982 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.686 -23.658 0.853 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.041 -23.028 0.599 1.00 0.00 H new ATOM 1943 N GLN A 117 0.460 -27.255 3.014 1.00 0.00 N ATOM 1944 CA GLN A 117 0.268 -28.415 3.855 1.00 0.00 C ATOM 1945 C GLN A 117 -0.493 -28.028 5.120 1.00 0.00 C ATOM 1946 O GLN A 117 -1.737 -28.132 5.125 1.00 0.00 O ATOM 1947 CB GLN A 117 1.627 -29.055 4.193 1.00 0.00 C ATOM 1948 CG GLN A 117 1.584 -30.572 4.376 1.00 0.00 C ATOM 1949 CD GLN A 117 0.963 -31.008 5.689 1.00 0.00 C ATOM 1950 OE1 GLN A 117 1.081 -30.328 6.711 1.00 0.00 O ATOM 1951 NE2 GLN A 117 0.290 -32.141 5.671 1.00 0.00 N ATOM 1952 OXT GLN A 117 0.150 -27.602 6.097 1.00 0.00 O ATOM 0 H GLN A 117 1.366 -26.800 3.125 1.00 0.00 H new ATOM 0 HA GLN A 117 -0.327 -29.153 3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 117 2.334 -28.817 3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 117 2.011 -28.602 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 117 1.021 -31.013 3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 117 2.599 -30.966 4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.215 -32.676 4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.156 -32.483 6.522 1.00 0.00 H new TER 1961 GLN A 117