USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 792 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 18 ASN : amide:sc= -0.0941 X(o=-0.44,f=-0.48) USER MOD Set 1.2: A 22 ASN : amide:sc= -1.38! X(o=-0.44!,f=-0.84) USER MOD Set 1.3: A 81 THR OG1 : rot 160:sc= 1.03 USER MOD Set 2.1: A 79 LYS NZ :NH3+ 167:sc= 0.0106 (180deg=0) USER MOD Set 2.2: A 83 HIS : no HD1:sc= -0.648 K(o=-3.9,f=-4.4) USER MOD Set 2.3: A 87 GLN : amide:sc= -3.27 K(o=-3.9,f=-5.5!) USER MOD Set 3.1: A 24 HIS : no HD1:sc= -5.97! C(o=-11!,f=-14!) USER MOD Set 3.2: A 74 HIS : no HD1:sc= -4.84! C(o=-11!,f=-13!) USER MOD Set 4.1: A 48 MET CE :methyl -174:sc= -3.18! (180deg=-3.43!) USER MOD Set 4.2: A 53 SER OG : rot 170:sc= -0.185 USER MOD Set 4.3: A 56 LYS NZ :NH3+ -124:sc= -1.72 (180deg=-4.91!) USER MOD Set 5.1: A 31 HIS : no HD1:sc= -1.87 K(o=-5,f=-7.1!) USER MOD Set 5.2: A 35 ASN : amide:sc= -3.1 K(o=-5,f=-9.6!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -4.44 K(o=-4.4,f=-16!) USER MOD Single : A 13 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.0074) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -8.52! K(o=-8.5!,f=-6.9) USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.553 (180deg=-3.05!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 36 HIS : no HE2:sc= -0.956 K(o=-0.96,f=-3.7!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.1!) USER MOD Single : A 45 HIS : no HD1:sc= -6.32! C(o=-6.3!,f=-2.9!) USER MOD Single : A 49 GLN : amide:sc=-0.00166 X(o=-0.0017,f=0) USER MOD Single : A 58 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.52) USER MOD Single : A 60 MET CE :methyl 140:sc= -1.62 (180deg=-5.2!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -0.0352 (180deg=-0.261) USER MOD Single : A 65 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.043) USER MOD Single : A 66 GLN : amide:sc= -2.23! C(o=-2.2!,f=-2.3!) USER MOD Single : A 72 ASN : amide:sc= -3.76! C(o=-3.8!,f=-4.4!) USER MOD Single : A 73 ASN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 84 HIS : no HD1:sc= -0.0779 K(o=-0.078,f=-0.74) USER MOD Single : A 88 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.0082) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.151) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 -0.898 -16.151 4.698 1.00 0.00 N ATOM 42 CA GLY A 3 -1.826 -15.136 5.162 1.00 0.00 C ATOM 43 C GLY A 3 -1.183 -14.139 6.103 1.00 0.00 C ATOM 44 O GLY A 3 -1.569 -12.972 6.136 1.00 0.00 O ATOM 0 HA2 GLY A 3 -2.236 -14.605 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.662 -15.619 5.668 1.00 0.00 H new ATOM 48 N LYS A 4 -0.196 -14.594 6.870 1.00 0.00 N ATOM 49 CA LYS A 4 0.498 -13.722 7.811 1.00 0.00 C ATOM 50 C LYS A 4 1.141 -12.551 7.098 1.00 0.00 C ATOM 51 O LYS A 4 1.461 -11.542 7.726 1.00 0.00 O ATOM 52 CB LYS A 4 1.551 -14.501 8.599 1.00 0.00 C ATOM 53 CG LYS A 4 2.124 -13.726 9.774 1.00 0.00 C ATOM 54 CD LYS A 4 1.246 -13.854 11.008 1.00 0.00 C ATOM 55 CE LYS A 4 1.920 -13.260 12.235 1.00 0.00 C ATOM 56 NZ LYS A 4 1.683 -14.085 13.453 1.00 0.00 N ATOM 0 H LYS A 4 0.140 -15.557 6.858 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.243 -13.333 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.108 -15.427 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.363 -14.781 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.125 -14.093 9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.223 -12.675 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.296 -13.350 10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.021 -14.905 11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.992 -13.177 12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.545 -12.250 12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.159 -13.646 14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.661 -14.144 13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.063 -15.041 13.304 1.00 0.00 H new ATOM 70 N LEU A 5 1.301 -12.660 5.782 1.00 0.00 N ATOM 71 CA LEU A 5 1.870 -11.567 5.017 1.00 0.00 C ATOM 72 C LEU A 5 1.132 -10.277 5.364 1.00 0.00 C ATOM 73 O LEU A 5 1.677 -9.180 5.241 1.00 0.00 O ATOM 74 CB LEU A 5 1.777 -11.848 3.516 1.00 0.00 C ATOM 75 CG LEU A 5 3.057 -11.559 2.732 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.537 -10.144 3.011 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.138 -12.569 3.087 1.00 0.00 C ATOM 0 H LEU A 5 1.048 -13.483 5.235 1.00 0.00 H new ATOM 0 HA LEU A 5 2.925 -11.463 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.507 -12.894 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.968 -11.250 3.098 1.00 0.00 H new ATOM 0 HG LEU A 5 2.841 -11.648 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.449 -9.951 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.767 -9.433 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.739 -10.032 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.042 -12.349 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.355 -12.510 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.792 -13.573 2.842 1.00 0.00 H new ATOM 89 N ASN A 6 -0.114 -10.429 5.821 1.00 0.00 N ATOM 90 CA ASN A 6 -0.926 -9.293 6.211 1.00 0.00 C ATOM 91 C ASN A 6 -0.236 -8.489 7.305 1.00 0.00 C ATOM 92 O ASN A 6 -0.234 -7.259 7.276 1.00 0.00 O ATOM 93 CB ASN A 6 -2.303 -9.747 6.686 1.00 0.00 C ATOM 94 CG ASN A 6 -2.227 -10.848 7.726 1.00 0.00 C ATOM 95 OD1 ASN A 6 -1.141 -11.296 8.093 1.00 0.00 O ATOM 96 ND2 ASN A 6 -3.383 -11.291 8.205 1.00 0.00 N ATOM 0 H ASN A 6 -0.575 -11.333 5.927 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.053 -8.656 5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.839 -8.894 7.103 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.880 -10.099 5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.394 -12.032 8.906 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.260 -10.891 7.872 1.00 0.00 H new ATOM 103 N ASP A 7 0.367 -9.192 8.262 1.00 0.00 N ATOM 104 CA ASP A 7 1.078 -8.536 9.354 1.00 0.00 C ATOM 105 C ASP A 7 2.045 -7.499 8.794 1.00 0.00 C ATOM 106 O ASP A 7 2.310 -6.471 9.419 1.00 0.00 O ATOM 107 CB ASP A 7 1.837 -9.563 10.195 1.00 0.00 C ATOM 108 CG ASP A 7 2.349 -8.981 11.498 1.00 0.00 C ATOM 109 OD1 ASP A 7 2.525 -7.746 11.567 1.00 0.00 O ATOM 110 OD2 ASP A 7 2.573 -9.759 12.448 1.00 0.00 O ATOM 0 H ASP A 7 0.377 -10.211 8.302 1.00 0.00 H new ATOM 0 HA ASP A 7 0.350 -8.037 9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.182 -10.407 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.677 -9.950 9.619 1.00 0.00 H new ATOM 115 N LEU A 8 2.554 -7.777 7.599 1.00 0.00 N ATOM 116 CA LEU A 8 3.476 -6.875 6.926 1.00 0.00 C ATOM 117 C LEU A 8 2.701 -5.811 6.159 1.00 0.00 C ATOM 118 O LEU A 8 3.168 -4.682 5.997 1.00 0.00 O ATOM 119 CB LEU A 8 4.382 -7.659 5.969 1.00 0.00 C ATOM 120 CG LEU A 8 5.325 -6.813 5.104 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.573 -6.183 3.941 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.012 -5.744 5.942 1.00 0.00 C ATOM 0 H LEU A 8 2.341 -8.626 7.075 1.00 0.00 H new ATOM 0 HA LEU A 8 4.098 -6.387 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.982 -8.355 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.753 -8.257 5.310 1.00 0.00 H new ATOM 0 HG LEU A 8 6.092 -7.472 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.262 -5.588 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.138 -6.967 3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.780 -5.542 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.676 -5.156 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.261 -5.091 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.592 -6.219 6.733 1.00 0.00 H new ATOM 134 N LEU A 9 1.509 -6.177 5.693 1.00 0.00 N ATOM 135 CA LEU A 9 0.668 -5.252 4.948 1.00 0.00 C ATOM 136 C LEU A 9 0.256 -4.074 5.828 1.00 0.00 C ATOM 137 O LEU A 9 0.117 -2.948 5.353 1.00 0.00 O ATOM 138 CB LEU A 9 -0.577 -5.971 4.426 1.00 0.00 C ATOM 139 CG LEU A 9 -0.392 -6.701 3.095 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.529 -7.685 2.865 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.306 -5.704 1.949 1.00 0.00 C ATOM 0 H LEU A 9 1.107 -7.106 5.819 1.00 0.00 H new ATOM 0 HA LEU A 9 1.241 -4.873 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.903 -6.692 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.379 -5.242 4.315 1.00 0.00 H new ATOM 0 HG LEU A 9 0.543 -7.260 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.381 -8.196 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.545 -8.418 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.477 -7.147 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.174 -6.240 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.224 -5.118 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.542 -5.038 2.109 1.00 0.00 H new ATOM 153 N GLU A 10 0.059 -4.347 7.115 1.00 0.00 N ATOM 154 CA GLU A 10 -0.344 -3.317 8.067 1.00 0.00 C ATOM 155 C GLU A 10 0.609 -2.124 8.029 1.00 0.00 C ATOM 156 O GLU A 10 0.176 -0.972 8.070 1.00 0.00 O ATOM 157 CB GLU A 10 -0.398 -3.898 9.482 1.00 0.00 C ATOM 158 CG GLU A 10 -1.669 -3.544 10.236 1.00 0.00 C ATOM 159 CD GLU A 10 -2.824 -4.465 9.896 1.00 0.00 C ATOM 160 OE1 GLU A 10 -2.740 -5.668 10.222 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.813 -3.984 9.304 1.00 0.00 O ATOM 0 H GLU A 10 0.172 -5.275 7.523 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.337 -2.968 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.310 -4.983 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.462 -3.538 10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.476 -3.590 11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.949 -2.516 10.006 1.00 0.00 H new ATOM 168 N ASP A 11 1.906 -2.407 7.951 1.00 0.00 N ATOM 169 CA ASP A 11 2.918 -1.354 7.908 1.00 0.00 C ATOM 170 C ASP A 11 2.620 -0.356 6.792 1.00 0.00 C ATOM 171 O ASP A 11 2.666 0.856 7.000 1.00 0.00 O ATOM 172 CB ASP A 11 4.308 -1.965 7.709 1.00 0.00 C ATOM 173 CG ASP A 11 5.251 -1.638 8.849 1.00 0.00 C ATOM 174 OD1 ASP A 11 5.591 -0.446 9.016 1.00 0.00 O ATOM 175 OD2 ASP A 11 5.652 -2.571 9.576 1.00 0.00 O ATOM 0 H ASP A 11 2.282 -3.355 7.916 1.00 0.00 H new ATOM 0 HA ASP A 11 2.895 -0.821 8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.216 -3.047 7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.732 -1.599 6.774 1.00 0.00 H new ATOM 180 N LEU A 12 2.312 -0.878 5.609 1.00 0.00 N ATOM 181 CA LEU A 12 2.005 -0.046 4.456 1.00 0.00 C ATOM 182 C LEU A 12 0.823 0.871 4.753 1.00 0.00 C ATOM 183 O LEU A 12 0.946 2.091 4.705 1.00 0.00 O ATOM 184 CB LEU A 12 1.739 -0.934 3.219 1.00 0.00 C ATOM 185 CG LEU A 12 0.355 -0.815 2.545 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.499 -0.692 1.036 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.513 -2.017 2.890 1.00 0.00 C ATOM 0 H LEU A 12 2.269 -1.880 5.426 1.00 0.00 H new ATOM 0 HA LEU A 12 2.863 0.590 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.499 -0.707 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.882 -1.974 3.513 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.128 0.086 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.488 -0.609 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.084 0.197 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.005 -1.575 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.484 -1.915 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.028 -2.928 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.650 -2.069 3.970 1.00 0.00 H new ATOM 199 N GLN A 13 -0.322 0.275 5.057 1.00 0.00 N ATOM 200 CA GLN A 13 -1.526 1.044 5.349 1.00 0.00 C ATOM 201 C GLN A 13 -1.261 2.090 6.428 1.00 0.00 C ATOM 202 O GLN A 13 -1.791 3.199 6.374 1.00 0.00 O ATOM 203 CB GLN A 13 -2.662 0.117 5.784 1.00 0.00 C ATOM 204 CG GLN A 13 -4.004 0.821 5.924 1.00 0.00 C ATOM 205 CD GLN A 13 -4.743 0.424 7.187 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.343 1.263 7.858 1.00 0.00 O ATOM 207 NE2 GLN A 13 -4.701 -0.862 7.518 1.00 0.00 N ATOM 0 H GLN A 13 -0.443 -0.736 5.108 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.822 1.561 4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.759 -0.690 5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.401 -0.341 6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.846 1.899 5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.623 0.590 5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.191 -1.523 6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.179 -1.188 8.358 1.00 0.00 H new ATOM 216 N GLU A 14 -0.425 1.735 7.398 1.00 0.00 N ATOM 217 CA GLU A 14 -0.079 2.651 8.475 1.00 0.00 C ATOM 218 C GLU A 14 0.926 3.674 7.980 1.00 0.00 C ATOM 219 O GLU A 14 0.950 4.813 8.446 1.00 0.00 O ATOM 220 CB GLU A 14 0.490 1.885 9.671 1.00 0.00 C ATOM 221 CG GLU A 14 0.616 2.729 10.930 1.00 0.00 C ATOM 222 CD GLU A 14 -0.433 2.386 11.969 1.00 0.00 C ATOM 223 OE1 GLU A 14 -0.770 1.190 12.102 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.920 3.313 12.650 1.00 0.00 O ATOM 0 H GLU A 14 0.024 0.821 7.459 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.983 3.168 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.150 1.028 9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.472 1.493 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.608 2.588 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.530 3.783 10.666 1.00 0.00 H new ATOM 231 N VAL A 15 1.743 3.267 7.017 1.00 0.00 N ATOM 232 CA VAL A 15 2.728 4.163 6.448 1.00 0.00 C ATOM 233 C VAL A 15 2.029 5.319 5.740 1.00 0.00 C ATOM 234 O VAL A 15 2.572 6.418 5.636 1.00 0.00 O ATOM 235 CB VAL A 15 3.694 3.416 5.494 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.210 3.398 4.044 1.00 0.00 C ATOM 237 CG2 VAL A 15 5.081 4.018 5.593 1.00 0.00 C ATOM 0 H VAL A 15 1.740 2.328 6.619 1.00 0.00 H new ATOM 0 HA VAL A 15 3.335 4.567 7.258 1.00 0.00 H new ATOM 0 HB VAL A 15 3.724 2.375 5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.930 2.860 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.242 2.900 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.113 4.421 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.756 3.489 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.041 5.071 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.445 3.928 6.617 1.00 0.00 H new ATOM 247 N LEU A 16 0.805 5.063 5.277 1.00 0.00 N ATOM 248 CA LEU A 16 0.017 6.086 4.607 1.00 0.00 C ATOM 249 C LEU A 16 -0.282 7.222 5.578 1.00 0.00 C ATOM 250 O LEU A 16 -0.304 8.391 5.196 1.00 0.00 O ATOM 251 CB LEU A 16 -1.292 5.501 4.065 1.00 0.00 C ATOM 252 CG LEU A 16 -1.182 4.734 2.740 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.326 5.488 1.736 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.620 3.346 2.980 1.00 0.00 C ATOM 0 H LEU A 16 0.343 4.157 5.356 1.00 0.00 H new ATOM 0 HA LEU A 16 0.593 6.470 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.708 4.831 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.005 6.315 3.934 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.184 4.640 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.267 4.919 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.772 6.462 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.676 5.624 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.548 2.814 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.371 3.427 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.279 2.798 3.654 1.00 0.00 H new ATOM 266 N LYS A 17 -0.498 6.869 6.848 1.00 0.00 N ATOM 267 CA LYS A 17 -0.781 7.862 7.884 1.00 0.00 C ATOM 268 C LYS A 17 0.146 9.060 7.727 1.00 0.00 C ATOM 269 O LYS A 17 -0.245 10.205 7.958 1.00 0.00 O ATOM 270 CB LYS A 17 -0.611 7.249 9.275 1.00 0.00 C ATOM 271 CG LYS A 17 -0.920 8.216 10.407 1.00 0.00 C ATOM 272 CD LYS A 17 0.084 8.090 11.540 1.00 0.00 C ATOM 273 CE LYS A 17 1.233 9.072 11.378 1.00 0.00 C ATOM 274 NZ LYS A 17 2.431 8.661 12.163 1.00 0.00 N ATOM 0 H LYS A 17 -0.482 5.905 7.182 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.814 8.193 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.263 6.380 9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.413 6.891 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.913 9.237 10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.924 8.024 10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.416 8.267 12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.475 7.073 11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.499 9.149 10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.911 10.063 11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.192 9.357 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.185 8.612 13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.754 7.727 11.840 1.00 0.00 H new ATOM 288 N ASN A 18 1.372 8.778 7.306 1.00 0.00 N ATOM 289 CA ASN A 18 2.369 9.820 7.082 1.00 0.00 C ATOM 290 C ASN A 18 2.107 10.517 5.753 1.00 0.00 C ATOM 291 O ASN A 18 2.062 11.744 5.674 1.00 0.00 O ATOM 292 CB ASN A 18 3.778 9.220 7.083 1.00 0.00 C ATOM 293 CG ASN A 18 4.663 9.819 8.158 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.368 9.718 9.349 1.00 0.00 O ATOM 295 ND2 ASN A 18 5.757 10.447 7.742 1.00 0.00 N ATOM 0 H ASN A 18 1.702 7.833 7.112 1.00 0.00 H new ATOM 0 HA ASN A 18 2.296 10.549 7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.710 8.142 7.231 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.238 9.379 6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.391 10.869 8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.963 10.507 6.745 1.00 0.00 H new ATOM 302 N LEU A 19 1.939 9.710 4.712 1.00 0.00 N ATOM 303 CA LEU A 19 1.682 10.210 3.367 1.00 0.00 C ATOM 304 C LEU A 19 0.589 11.281 3.367 1.00 0.00 C ATOM 305 O LEU A 19 0.711 12.306 2.696 1.00 0.00 O ATOM 306 CB LEU A 19 1.302 9.031 2.456 1.00 0.00 C ATOM 307 CG LEU A 19 0.054 9.214 1.586 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.157 8.375 0.323 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.193 8.848 2.371 1.00 0.00 C ATOM 0 H LEU A 19 1.977 8.693 4.776 1.00 0.00 H new ATOM 0 HA LEU A 19 2.587 10.683 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.147 8.820 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.156 8.150 3.081 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.016 10.262 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.738 8.518 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.034 8.682 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.249 7.323 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.072 8.983 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.130 7.807 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.273 9.491 3.248 1.00 0.00 H new ATOM 321 N HIS A 20 -0.480 11.030 4.114 1.00 0.00 N ATOM 322 CA HIS A 20 -1.601 11.965 4.192 1.00 0.00 C ATOM 323 C HIS A 20 -1.135 13.391 4.480 1.00 0.00 C ATOM 324 O HIS A 20 -1.724 14.355 3.991 1.00 0.00 O ATOM 325 CB HIS A 20 -2.578 11.532 5.291 1.00 0.00 C ATOM 326 CG HIS A 20 -3.173 10.173 5.098 1.00 0.00 C ATOM 327 ND1 HIS A 20 -3.328 9.271 6.129 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.663 9.567 3.995 1.00 0.00 C ATOM 329 CE1 HIS A 20 -3.886 8.168 5.665 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.101 8.322 4.373 1.00 0.00 N ATOM 0 H HIS A 20 -0.596 10.186 4.676 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.096 11.952 3.221 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.059 11.554 6.249 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.385 12.262 5.349 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -3.054 9.431 7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.703 9.985 3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.126 7.289 6.245 1.00 0.00 H new ATOM 339 N LYS A 21 -0.103 13.519 5.302 1.00 0.00 N ATOM 340 CA LYS A 21 0.413 14.830 5.686 1.00 0.00 C ATOM 341 C LYS A 21 1.502 15.335 4.748 1.00 0.00 C ATOM 342 O LYS A 21 2.093 16.386 4.993 1.00 0.00 O ATOM 343 CB LYS A 21 0.950 14.775 7.115 1.00 0.00 C ATOM 344 CG LYS A 21 0.083 13.950 8.047 1.00 0.00 C ATOM 345 CD LYS A 21 -1.259 14.626 8.298 1.00 0.00 C ATOM 346 CE LYS A 21 -2.253 14.349 7.176 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.659 14.338 7.670 1.00 0.00 N ATOM 0 H LYS A 21 0.395 12.732 5.717 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.418 15.532 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.957 14.358 7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.030 15.789 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.080 12.962 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.601 13.803 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.672 14.274 9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.111 15.702 8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.146 15.108 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.022 13.388 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.277 14.794 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.968 13.356 7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.715 14.857 8.570 1.00 0.00 H new ATOM 361 N ASN A 22 1.775 14.599 3.678 1.00 0.00 N ATOM 362 CA ASN A 22 2.803 15.020 2.735 1.00 0.00 C ATOM 363 C ASN A 22 2.488 14.576 1.311 1.00 0.00 C ATOM 364 O ASN A 22 3.373 14.550 0.456 1.00 0.00 O ATOM 365 CB ASN A 22 4.167 14.485 3.168 1.00 0.00 C ATOM 366 CG ASN A 22 4.799 15.344 4.247 1.00 0.00 C ATOM 367 OD1 ASN A 22 5.202 14.846 5.297 1.00 0.00 O ATOM 368 ND2 ASN A 22 4.886 16.645 3.994 1.00 0.00 N ATOM 0 H ASN A 22 1.308 13.723 3.444 1.00 0.00 H new ATOM 0 HA ASN A 22 2.826 16.110 2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.056 13.465 3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.830 14.442 2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.300 17.272 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.539 17.017 3.110 1.00 0.00 H new ATOM 375 N TRP A 23 1.228 14.241 1.048 1.00 0.00 N ATOM 376 CA TRP A 23 0.833 13.819 -0.289 1.00 0.00 C ATOM 377 C TRP A 23 0.444 15.032 -1.138 1.00 0.00 C ATOM 378 O TRP A 23 0.970 15.218 -2.234 1.00 0.00 O ATOM 379 CB TRP A 23 -0.311 12.798 -0.218 1.00 0.00 C ATOM 380 CG TRP A 23 -1.658 13.373 -0.496 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.636 13.624 0.404 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.170 13.756 -1.765 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.727 14.170 -0.214 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.468 14.255 -1.561 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.647 13.729 -3.051 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.253 14.723 -2.613 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.420 14.187 -4.090 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.713 14.680 -3.871 1.00 0.00 C ATOM 0 H TRP A 23 0.473 14.253 1.734 1.00 0.00 H new ATOM 0 HA TRP A 23 1.683 13.332 -0.767 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.115 11.998 -0.932 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.319 12.345 0.773 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.565 13.422 1.462 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.588 14.465 0.247 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.650 13.355 -3.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.249 15.105 -2.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.024 14.167 -5.094 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.295 15.033 -4.710 1.00 0.00 H new ATOM 399 N HIS A 24 -0.466 15.860 -0.621 1.00 0.00 N ATOM 400 CA HIS A 24 -0.899 17.058 -1.337 1.00 0.00 C ATOM 401 C HIS A 24 -1.946 17.853 -0.557 1.00 0.00 C ATOM 402 O HIS A 24 -2.996 18.209 -1.094 1.00 0.00 O ATOM 403 CB HIS A 24 -1.459 16.707 -2.712 1.00 0.00 C ATOM 404 CG HIS A 24 -1.638 17.908 -3.582 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.974 17.837 -4.917 1.00 0.00 N ATOM 406 CD2 HIS A 24 -1.526 19.225 -3.292 1.00 0.00 C ATOM 407 CE1 HIS A 24 -2.061 19.060 -5.413 1.00 0.00 C ATOM 408 NE2 HIS A 24 -1.794 19.920 -4.447 1.00 0.00 N ATOM 0 H HIS A 24 -0.914 15.723 0.285 1.00 0.00 H new ATOM 0 HA HIS A 24 -0.012 17.680 -1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.789 16.003 -3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.418 16.203 -2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.273 19.651 -2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.308 19.312 -6.434 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.788 20.935 -4.543 1.00 0.00 H new ATOM 417 N GLY A 25 -1.638 18.160 0.692 1.00 0.00 N ATOM 418 CA GLY A 25 -2.542 18.950 1.509 1.00 0.00 C ATOM 419 C GLY A 25 -3.813 18.243 1.933 1.00 0.00 C ATOM 420 O GLY A 25 -4.628 17.843 1.101 1.00 0.00 O ATOM 0 H GLY A 25 -0.776 17.877 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.009 19.273 2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.813 19.850 0.957 1.00 0.00 H new ATOM 424 N GLY A 26 -3.993 18.141 3.246 1.00 0.00 N ATOM 425 CA GLY A 26 -5.181 17.539 3.810 1.00 0.00 C ATOM 426 C GLY A 26 -5.414 16.110 3.387 1.00 0.00 C ATOM 427 O GLY A 26 -5.409 15.788 2.199 1.00 0.00 O ATOM 0 H GLY A 26 -3.321 18.472 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.112 17.577 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.047 18.136 3.524 1.00 0.00 H new ATOM 431 N LYS A 27 -5.653 15.257 4.373 1.00 0.00 N ATOM 432 CA LYS A 27 -5.932 13.854 4.120 1.00 0.00 C ATOM 433 C LYS A 27 -7.282 13.707 3.423 1.00 0.00 C ATOM 434 O LYS A 27 -7.600 12.652 2.879 1.00 0.00 O ATOM 435 CB LYS A 27 -5.939 13.069 5.433 1.00 0.00 C ATOM 436 CG LYS A 27 -6.229 11.588 5.255 1.00 0.00 C ATOM 437 CD LYS A 27 -6.331 10.874 6.594 1.00 0.00 C ATOM 438 CE LYS A 27 -7.777 10.585 6.964 1.00 0.00 C ATOM 439 NZ LYS A 27 -8.035 10.802 8.415 1.00 0.00 N ATOM 0 H LYS A 27 -5.659 15.516 5.360 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.150 13.454 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.971 13.185 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.686 13.499 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.160 11.463 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.440 11.131 4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.771 9.939 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.871 11.486 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.436 11.226 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.019 9.555 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.032 10.594 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.425 10.172 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.829 11.791 8.660 1.00 0.00 H new ATOM 453 N ASP A 28 -8.076 14.778 3.450 1.00 0.00 N ATOM 454 CA ASP A 28 -9.395 14.781 2.827 1.00 0.00 C ATOM 455 C ASP A 28 -9.349 14.195 1.420 1.00 0.00 C ATOM 456 O ASP A 28 -10.173 13.352 1.068 1.00 0.00 O ATOM 457 CB ASP A 28 -9.956 16.204 2.782 1.00 0.00 C ATOM 458 CG ASP A 28 -11.417 16.263 3.182 1.00 0.00 C ATOM 459 OD1 ASP A 28 -11.696 16.415 4.390 1.00 0.00 O ATOM 460 OD2 ASP A 28 -12.282 16.154 2.288 1.00 0.00 O ATOM 0 H ASP A 28 -7.824 15.658 3.900 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.050 14.154 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.374 16.842 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.842 16.605 1.775 1.00 0.00 H new ATOM 465 N ASN A 29 -8.387 14.641 0.616 1.00 0.00 N ATOM 466 CA ASN A 29 -8.264 14.139 -0.747 1.00 0.00 C ATOM 467 C ASN A 29 -7.659 12.738 -0.756 1.00 0.00 C ATOM 468 O ASN A 29 -8.173 11.839 -1.421 1.00 0.00 O ATOM 469 CB ASN A 29 -7.424 15.088 -1.597 1.00 0.00 C ATOM 470 CG ASN A 29 -8.212 16.297 -2.063 1.00 0.00 C ATOM 471 OD1 ASN A 29 -8.375 16.522 -3.262 1.00 0.00 O ATOM 472 ND2 ASN A 29 -8.705 17.085 -1.114 1.00 0.00 N ATOM 0 H ASN A 29 -7.691 15.339 0.880 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.264 14.083 -1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.561 15.420 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.040 14.551 -2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.243 17.914 -1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.546 16.861 -0.132 1.00 0.00 H new ATOM 479 N LEU A 30 -6.577 12.550 -0.005 1.00 0.00 N ATOM 480 CA LEU A 30 -5.929 11.245 0.072 1.00 0.00 C ATOM 481 C LEU A 30 -6.919 10.200 0.578 1.00 0.00 C ATOM 482 O LEU A 30 -6.813 9.021 0.256 1.00 0.00 O ATOM 483 CB LEU A 30 -4.712 11.299 1.001 1.00 0.00 C ATOM 484 CG LEU A 30 -3.546 10.367 0.631 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.975 8.916 0.723 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.009 10.662 -0.763 1.00 0.00 C ATOM 0 H LEU A 30 -6.134 13.279 0.555 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.592 10.969 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.341 12.324 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.039 11.057 2.012 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.744 10.550 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.137 8.271 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.295 8.695 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.802 8.737 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.186 9.983 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.804 10.524 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.652 11.691 -0.805 1.00 0.00 H new ATOM 498 N HIS A 31 -7.893 10.648 1.370 1.00 0.00 N ATOM 499 CA HIS A 31 -8.909 9.753 1.914 1.00 0.00 C ATOM 500 C HIS A 31 -9.438 8.826 0.828 1.00 0.00 C ATOM 501 O HIS A 31 -9.503 7.612 1.013 1.00 0.00 O ATOM 502 CB HIS A 31 -10.058 10.559 2.523 1.00 0.00 C ATOM 503 CG HIS A 31 -11.010 9.730 3.328 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.796 8.397 3.610 1.00 0.00 N ATOM 505 CD2 HIS A 31 -12.189 10.052 3.912 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.801 7.935 4.333 1.00 0.00 C ATOM 507 NE2 HIS A 31 -12.658 8.918 4.529 1.00 0.00 N ATOM 0 H HIS A 31 -7.998 11.624 1.648 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.451 9.148 2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.645 11.342 3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.608 11.054 1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.670 11.019 3.896 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.903 6.925 4.701 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.529 8.847 5.054 1.00 0.00 H new ATOM 516 N ASP A 32 -9.794 9.408 -0.312 1.00 0.00 N ATOM 517 CA ASP A 32 -10.297 8.634 -1.440 1.00 0.00 C ATOM 518 C ASP A 32 -9.192 7.750 -2.004 1.00 0.00 C ATOM 519 O ASP A 32 -9.445 6.657 -2.512 1.00 0.00 O ATOM 520 CB ASP A 32 -10.837 9.569 -2.526 1.00 0.00 C ATOM 521 CG ASP A 32 -12.340 9.460 -2.689 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.815 8.381 -3.101 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.042 10.453 -2.405 1.00 0.00 O ATOM 0 H ASP A 32 -9.743 10.413 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.111 7.997 -1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.575 10.598 -2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.354 9.336 -3.475 1.00 0.00 H new ATOM 528 N VAL A 33 -7.964 8.236 -1.895 1.00 0.00 N ATOM 529 CA VAL A 33 -6.795 7.514 -2.371 1.00 0.00 C ATOM 530 C VAL A 33 -6.488 6.328 -1.466 1.00 0.00 C ATOM 531 O VAL A 33 -6.542 5.177 -1.898 1.00 0.00 O ATOM 532 CB VAL A 33 -5.584 8.455 -2.433 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.280 7.703 -2.252 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.574 9.195 -3.748 1.00 0.00 C ATOM 0 H VAL A 33 -7.751 9.141 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.007 7.138 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.674 9.168 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.446 8.403 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.278 7.206 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.177 6.959 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.712 9.861 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.515 8.479 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.489 9.780 -3.843 1.00 0.00 H new ATOM 544 N ASP A 34 -6.180 6.612 -0.205 1.00 0.00 N ATOM 545 CA ASP A 34 -5.885 5.556 0.745 1.00 0.00 C ATOM 546 C ASP A 34 -7.111 4.659 0.897 1.00 0.00 C ATOM 547 O ASP A 34 -6.995 3.492 1.271 1.00 0.00 O ATOM 548 CB ASP A 34 -5.428 6.142 2.090 1.00 0.00 C ATOM 549 CG ASP A 34 -5.676 5.209 3.263 1.00 0.00 C ATOM 550 OD1 ASP A 34 -4.914 4.231 3.415 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.632 5.457 4.027 1.00 0.00 O ATOM 0 H ASP A 34 -6.129 7.557 0.176 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.060 4.949 0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.364 6.373 2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.950 7.083 2.265 1.00 0.00 H new ATOM 556 N ASN A 35 -8.288 5.196 0.550 1.00 0.00 N ATOM 557 CA ASN A 35 -9.516 4.413 0.599 1.00 0.00 C ATOM 558 C ASN A 35 -9.349 3.231 -0.339 1.00 0.00 C ATOM 559 O ASN A 35 -9.700 2.097 -0.012 1.00 0.00 O ATOM 560 CB ASN A 35 -10.727 5.252 0.179 1.00 0.00 C ATOM 561 CG ASN A 35 -11.623 5.601 1.352 1.00 0.00 C ATOM 562 OD1 ASN A 35 -11.669 6.749 1.795 1.00 0.00 O ATOM 563 ND2 ASN A 35 -12.344 4.609 1.862 1.00 0.00 N ATOM 0 H ASN A 35 -8.409 6.159 0.236 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.695 4.075 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.382 6.170 -0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.305 4.704 -0.566 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.966 4.784 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.276 3.672 1.464 1.00 0.00 H new ATOM 570 N HIS A 36 -8.750 3.512 -1.495 1.00 0.00 N ATOM 571 CA HIS A 36 -8.461 2.482 -2.476 1.00 0.00 C ATOM 572 C HIS A 36 -7.456 1.527 -1.866 1.00 0.00 C ATOM 573 O HIS A 36 -7.651 0.312 -1.863 1.00 0.00 O ATOM 574 CB HIS A 36 -7.893 3.103 -3.755 1.00 0.00 C ATOM 575 CG HIS A 36 -8.880 3.167 -4.878 1.00 0.00 C ATOM 576 ND1 HIS A 36 -8.683 2.543 -6.093 1.00 0.00 N ATOM 577 CD2 HIS A 36 -10.080 3.789 -4.968 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.717 2.779 -6.880 1.00 0.00 C ATOM 579 NE2 HIS A 36 -10.580 3.532 -6.221 1.00 0.00 N ATOM 0 H HIS A 36 -8.457 4.449 -1.770 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.375 1.952 -2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.540 4.110 -3.534 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.027 2.525 -4.076 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.866 1.986 -6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.555 4.378 -4.197 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.837 2.418 -7.891 1.00 0.00 H new ATOM 588 N LEU A 37 -6.388 2.104 -1.317 1.00 0.00 N ATOM 589 CA LEU A 37 -5.345 1.322 -0.660 1.00 0.00 C ATOM 590 C LEU A 37 -5.948 0.380 0.378 1.00 0.00 C ATOM 591 O LEU A 37 -5.906 -0.839 0.226 1.00 0.00 O ATOM 592 CB LEU A 37 -4.346 2.248 0.030 1.00 0.00 C ATOM 593 CG LEU A 37 -2.974 1.638 0.337 1.00 0.00 C ATOM 594 CD1 LEU A 37 -3.043 0.119 0.446 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.969 2.052 -0.725 1.00 0.00 C ATOM 0 H LEU A 37 -6.223 3.111 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.835 0.735 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.200 3.127 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.786 2.594 0.965 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.648 2.019 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.051 -0.276 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.728 -0.158 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.400 -0.298 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.998 1.613 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.306 1.702 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.882 3.138 -0.740 1.00 0.00 H new ATOM 607 N GLN A 38 -6.501 0.963 1.441 1.00 0.00 N ATOM 608 CA GLN A 38 -7.114 0.189 2.518 1.00 0.00 C ATOM 609 C GLN A 38 -8.004 -0.914 1.954 1.00 0.00 C ATOM 610 O GLN A 38 -7.979 -2.050 2.428 1.00 0.00 O ATOM 611 CB GLN A 38 -7.929 1.107 3.432 1.00 0.00 C ATOM 612 CG GLN A 38 -7.448 1.110 4.874 1.00 0.00 C ATOM 613 CD GLN A 38 -8.515 0.649 5.848 1.00 0.00 C ATOM 614 OE1 GLN A 38 -9.473 1.371 6.127 1.00 0.00 O ATOM 615 NE2 GLN A 38 -8.355 -0.561 6.371 1.00 0.00 N ATOM 0 H GLN A 38 -6.537 1.973 1.579 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.318 -0.275 3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.888 2.124 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.974 0.797 3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.576 0.462 4.963 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.126 2.116 5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.546 -1.126 6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.041 -0.926 7.032 1.00 0.00 H new ATOM 624 N ASN A 39 -8.780 -0.573 0.930 1.00 0.00 N ATOM 625 CA ASN A 39 -9.666 -1.541 0.292 1.00 0.00 C ATOM 626 C ASN A 39 -8.858 -2.722 -0.232 1.00 0.00 C ATOM 627 O ASN A 39 -9.345 -3.851 -0.277 1.00 0.00 O ATOM 628 CB ASN A 39 -10.442 -0.886 -0.851 1.00 0.00 C ATOM 629 CG ASN A 39 -11.724 -0.229 -0.376 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.402 -0.737 0.515 1.00 0.00 O ATOM 631 ND2 ASN A 39 -12.063 0.907 -0.975 1.00 0.00 N ATOM 0 H ASN A 39 -8.814 0.363 0.525 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.380 -1.900 1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.811 -0.140 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.679 -1.638 -1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.916 1.394 -0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.470 1.293 -1.710 1.00 0.00 H new ATOM 638 N VAL A 40 -7.613 -2.453 -0.609 1.00 0.00 N ATOM 639 CA VAL A 40 -6.728 -3.492 -1.108 1.00 0.00 C ATOM 640 C VAL A 40 -6.429 -4.500 -0.007 1.00 0.00 C ATOM 641 O VAL A 40 -6.563 -5.705 -0.200 1.00 0.00 O ATOM 642 CB VAL A 40 -5.398 -2.903 -1.621 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.566 -3.970 -2.315 1.00 0.00 C ATOM 644 CG2 VAL A 40 -5.653 -1.730 -2.552 1.00 0.00 C ATOM 0 H VAL A 40 -7.196 -1.523 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.236 -3.983 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.834 -2.540 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.633 -3.531 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.346 -4.774 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.122 -4.371 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.701 -1.330 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.242 -2.065 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.199 -0.953 -2.017 1.00 0.00 H new ATOM 654 N ILE A 41 -6.025 -3.987 1.154 1.00 0.00 N ATOM 655 CA ILE A 41 -5.702 -4.830 2.303 1.00 0.00 C ATOM 656 C ILE A 41 -6.741 -5.932 2.507 1.00 0.00 C ATOM 657 O ILE A 41 -6.394 -7.071 2.816 1.00 0.00 O ATOM 658 CB ILE A 41 -5.598 -4.004 3.603 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.767 -2.736 3.381 1.00 0.00 C ATOM 660 CG2 ILE A 41 -4.996 -4.847 4.718 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.449 -2.981 2.677 1.00 0.00 C ATOM 0 H ILE A 41 -5.913 -2.987 1.324 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.735 -5.283 2.083 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.603 -3.702 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.353 -2.027 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.571 -2.269 4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.929 -4.252 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.628 -5.716 4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.999 -5.178 4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.919 -2.036 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.841 -3.665 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.636 -3.419 1.697 1.00 0.00 H new ATOM 673 N GLU A 42 -8.014 -5.588 2.341 1.00 0.00 N ATOM 674 CA GLU A 42 -9.090 -6.558 2.516 1.00 0.00 C ATOM 675 C GLU A 42 -9.125 -7.547 1.363 1.00 0.00 C ATOM 676 O GLU A 42 -9.510 -8.703 1.538 1.00 0.00 O ATOM 677 CB GLU A 42 -10.441 -5.846 2.665 1.00 0.00 C ATOM 678 CG GLU A 42 -10.977 -5.241 1.375 1.00 0.00 C ATOM 679 CD GLU A 42 -12.446 -5.543 1.156 1.00 0.00 C ATOM 680 OE1 GLU A 42 -13.292 -4.803 1.701 1.00 0.00 O ATOM 681 OE2 GLU A 42 -12.751 -6.520 0.440 1.00 0.00 O ATOM 0 H GLU A 42 -8.325 -4.650 2.087 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.896 -7.117 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.172 -6.557 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.342 -5.056 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.831 -4.161 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.402 -5.624 0.532 1.00 0.00 H new ATOM 688 N ASP A 43 -8.705 -7.100 0.192 1.00 0.00 N ATOM 689 CA ASP A 43 -8.675 -7.966 -0.971 1.00 0.00 C ATOM 690 C ASP A 43 -7.386 -8.775 -0.982 1.00 0.00 C ATOM 691 O ASP A 43 -7.334 -9.866 -1.537 1.00 0.00 O ATOM 692 CB ASP A 43 -8.803 -7.148 -2.258 1.00 0.00 C ATOM 693 CG ASP A 43 -10.153 -7.329 -2.926 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.370 -8.391 -3.546 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.991 -6.409 -2.829 1.00 0.00 O ATOM 0 H ASP A 43 -8.382 -6.147 0.023 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.522 -8.650 -0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.651 -6.093 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.015 -7.441 -2.952 1.00 0.00 H new ATOM 700 N ILE A 44 -6.348 -8.229 -0.356 1.00 0.00 N ATOM 701 CA ILE A 44 -5.060 -8.899 -0.287 1.00 0.00 C ATOM 702 C ILE A 44 -4.987 -9.840 0.911 1.00 0.00 C ATOM 703 O ILE A 44 -4.616 -11.005 0.774 1.00 0.00 O ATOM 704 CB ILE A 44 -3.903 -7.883 -0.210 1.00 0.00 C ATOM 705 CG1 ILE A 44 -4.036 -6.844 -1.328 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.559 -8.591 -0.292 1.00 0.00 C ATOM 707 CD1 ILE A 44 -3.542 -7.323 -2.677 1.00 0.00 C ATOM 0 H ILE A 44 -6.377 -7.322 0.111 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.958 -9.483 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.956 -7.369 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.083 -6.554 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.481 -5.949 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.756 -7.856 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.466 -9.293 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.490 -9.132 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.670 -6.530 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.486 -7.585 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.113 -8.199 -2.983 1.00 0.00 H new ATOM 719 N HIS A 45 -5.336 -9.325 2.086 1.00 0.00 N ATOM 720 CA HIS A 45 -5.301 -10.119 3.309 1.00 0.00 C ATOM 721 C HIS A 45 -6.352 -11.230 3.282 1.00 0.00 C ATOM 722 O HIS A 45 -6.184 -12.267 3.924 1.00 0.00 O ATOM 723 CB HIS A 45 -5.499 -9.215 4.537 1.00 0.00 C ATOM 724 CG HIS A 45 -6.907 -9.164 5.043 1.00 0.00 C ATOM 725 ND1 HIS A 45 -7.234 -9.240 6.381 1.00 0.00 N ATOM 726 CD2 HIS A 45 -8.077 -9.046 4.377 1.00 0.00 C ATOM 727 CE1 HIS A 45 -8.546 -9.171 6.514 1.00 0.00 C ATOM 728 NE2 HIS A 45 -9.081 -9.054 5.313 1.00 0.00 N ATOM 0 H HIS A 45 -5.646 -8.362 2.217 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.321 -10.592 3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.849 -9.564 5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.179 -8.204 4.285 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.199 -8.961 3.307 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.089 -9.205 7.447 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.079 -8.981 5.113 1.00 0.00 H new ATOM 737 N ASP A 46 -7.434 -11.013 2.536 1.00 0.00 N ATOM 738 CA ASP A 46 -8.496 -12.007 2.437 1.00 0.00 C ATOM 739 C ASP A 46 -8.177 -13.001 1.337 1.00 0.00 C ATOM 740 O ASP A 46 -8.386 -14.205 1.489 1.00 0.00 O ATOM 741 CB ASP A 46 -9.840 -11.332 2.163 1.00 0.00 C ATOM 742 CG ASP A 46 -11.006 -12.289 2.308 1.00 0.00 C ATOM 743 OD1 ASP A 46 -11.030 -13.309 1.589 1.00 0.00 O ATOM 744 OD2 ASP A 46 -11.897 -12.018 3.142 1.00 0.00 O ATOM 0 H ASP A 46 -7.596 -10.163 1.996 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.564 -12.538 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.971 -10.497 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.837 -10.917 1.155 1.00 0.00 H new ATOM 749 N PHE A 47 -7.661 -12.488 0.230 1.00 0.00 N ATOM 750 CA PHE A 47 -7.301 -13.340 -0.898 1.00 0.00 C ATOM 751 C PHE A 47 -6.030 -14.126 -0.588 1.00 0.00 C ATOM 752 O PHE A 47 -5.807 -15.204 -1.137 1.00 0.00 O ATOM 753 CB PHE A 47 -7.106 -12.512 -2.170 1.00 0.00 C ATOM 754 CG PHE A 47 -8.393 -12.017 -2.778 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.430 -11.554 -1.980 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.565 -12.017 -4.153 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.609 -11.102 -2.542 1.00 0.00 C ATOM 758 CE2 PHE A 47 -9.741 -11.565 -4.721 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.764 -11.107 -3.914 1.00 0.00 C ATOM 0 H PHE A 47 -7.482 -11.494 0.087 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.120 -14.040 -1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.471 -11.656 -1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.575 -13.115 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.314 -11.547 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.769 -12.375 -4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.408 -10.745 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.860 -11.570 -5.794 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.684 -10.753 -4.356 1.00 0.00 H new ATOM 769 N MET A 48 -5.205 -13.584 0.308 1.00 0.00 N ATOM 770 CA MET A 48 -3.960 -14.238 0.704 1.00 0.00 C ATOM 771 C MET A 48 -4.211 -15.689 1.096 1.00 0.00 C ATOM 772 O MET A 48 -3.418 -16.577 0.782 1.00 0.00 O ATOM 773 CB MET A 48 -3.317 -13.486 1.871 1.00 0.00 C ATOM 774 CG MET A 48 -1.897 -13.032 1.583 1.00 0.00 C ATOM 775 SD MET A 48 -1.764 -11.252 1.339 1.00 0.00 S ATOM 776 CE MET A 48 -0.863 -11.195 -0.209 1.00 0.00 C ATOM 0 H MET A 48 -5.378 -12.693 0.773 1.00 0.00 H new ATOM 0 HA MET A 48 -3.281 -14.223 -0.148 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.927 -12.616 2.114 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.314 -14.129 2.751 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.252 -13.329 2.410 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.531 -13.544 0.693 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.607 -10.162 -0.443 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.050 -11.784 -0.120 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.483 -11.605 -1.006 1.00 0.00 H new ATOM 786 N GLN A 49 -5.325 -15.921 1.781 1.00 0.00 N ATOM 787 CA GLN A 49 -5.690 -17.263 2.214 1.00 0.00 C ATOM 788 C GLN A 49 -6.016 -18.148 1.015 1.00 0.00 C ATOM 789 O GLN A 49 -5.894 -19.371 1.084 1.00 0.00 O ATOM 790 CB GLN A 49 -6.886 -17.204 3.169 1.00 0.00 C ATOM 791 CG GLN A 49 -6.537 -17.562 4.603 1.00 0.00 C ATOM 792 CD GLN A 49 -7.724 -17.444 5.538 1.00 0.00 C ATOM 793 OE1 GLN A 49 -8.338 -16.382 5.650 1.00 0.00 O ATOM 794 NE2 GLN A 49 -8.054 -18.536 6.217 1.00 0.00 N ATOM 0 H GLN A 49 -5.991 -15.196 2.048 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.839 -17.697 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.309 -16.200 3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.660 -17.884 2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.153 -18.582 4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.737 -16.909 4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.518 -19.395 6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.844 -18.516 6.862 1.00 0.00 H new ATOM 803 N GLY A 50 -6.428 -17.523 -0.082 1.00 0.00 N ATOM 804 CA GLY A 50 -6.761 -18.269 -1.280 1.00 0.00 C ATOM 805 C GLY A 50 -8.112 -17.886 -1.858 1.00 0.00 C ATOM 806 O GLY A 50 -8.502 -18.388 -2.912 1.00 0.00 O ATOM 0 H GLY A 50 -6.537 -16.512 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.989 -18.103 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.758 -19.335 -1.051 1.00 0.00 H new ATOM 810 N GLY A 51 -8.831 -16.994 -1.175 1.00 0.00 N ATOM 811 CA GLY A 51 -10.133 -16.570 -1.661 1.00 0.00 C ATOM 812 C GLY A 51 -10.091 -16.153 -3.118 1.00 0.00 C ATOM 813 O GLY A 51 -11.031 -16.402 -3.873 1.00 0.00 O ATOM 0 H GLY A 51 -8.536 -16.561 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.848 -17.384 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.491 -15.737 -1.056 1.00 0.00 H new ATOM 817 N GLY A 52 -8.989 -15.524 -3.510 1.00 0.00 N ATOM 818 CA GLY A 52 -8.827 -15.083 -4.883 1.00 0.00 C ATOM 819 C GLY A 52 -7.379 -14.783 -5.221 1.00 0.00 C ATOM 820 O GLY A 52 -7.095 -13.994 -6.122 1.00 0.00 O ATOM 0 H GLY A 52 -8.201 -15.311 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.204 -15.852 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.430 -14.190 -5.050 1.00 0.00 H new ATOM 824 N SER A 53 -6.461 -15.414 -4.494 1.00 0.00 N ATOM 825 CA SER A 53 -5.036 -15.211 -4.715 1.00 0.00 C ATOM 826 C SER A 53 -4.643 -15.601 -6.135 1.00 0.00 C ATOM 827 O SER A 53 -5.494 -15.951 -6.953 1.00 0.00 O ATOM 828 CB SER A 53 -4.221 -16.020 -3.704 1.00 0.00 C ATOM 829 OG SER A 53 -3.094 -15.289 -3.255 1.00 0.00 O ATOM 0 H SER A 53 -6.681 -16.071 -3.746 1.00 0.00 H new ATOM 0 HA SER A 53 -4.820 -14.151 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.850 -16.284 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.894 -16.954 -4.160 1.00 0.00 H new ATOM 0 HG SER A 53 -2.682 -15.755 -2.498 1.00 0.00 H new ATOM 835 N GLY A 54 -3.347 -15.536 -6.420 1.00 0.00 N ATOM 836 CA GLY A 54 -2.854 -15.883 -7.743 1.00 0.00 C ATOM 837 C GLY A 54 -3.616 -15.183 -8.853 1.00 0.00 C ATOM 838 O GLY A 54 -4.213 -15.833 -9.711 1.00 0.00 O ATOM 0 H GLY A 54 -2.626 -15.249 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.798 -15.623 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.926 -16.962 -7.882 1.00 0.00 H new ATOM 842 N GLY A 55 -3.597 -13.854 -8.835 1.00 0.00 N ATOM 843 CA GLY A 55 -4.296 -13.086 -9.850 1.00 0.00 C ATOM 844 C GLY A 55 -4.828 -11.768 -9.321 1.00 0.00 C ATOM 845 O GLY A 55 -5.115 -10.853 -10.092 1.00 0.00 O ATOM 0 H GLY A 55 -3.110 -13.294 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.621 -12.893 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.124 -13.677 -10.241 1.00 0.00 H new ATOM 849 N LYS A 56 -4.960 -11.671 -8.003 1.00 0.00 N ATOM 850 CA LYS A 56 -5.461 -10.455 -7.371 1.00 0.00 C ATOM 851 C LYS A 56 -4.327 -9.485 -7.079 1.00 0.00 C ATOM 852 O LYS A 56 -4.466 -8.280 -7.270 1.00 0.00 O ATOM 853 CB LYS A 56 -6.198 -10.795 -6.074 1.00 0.00 C ATOM 854 CG LYS A 56 -5.333 -11.525 -5.055 1.00 0.00 C ATOM 855 CD LYS A 56 -4.785 -10.574 -4.003 1.00 0.00 C ATOM 856 CE LYS A 56 -3.999 -11.318 -2.933 1.00 0.00 C ATOM 857 NZ LYS A 56 -2.818 -12.030 -3.497 1.00 0.00 N ATOM 0 H LYS A 56 -4.727 -12.420 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.155 -9.978 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.573 -9.874 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.066 -11.411 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.920 -12.305 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.506 -12.019 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.142 -9.834 -4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.608 -10.030 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.667 -10.612 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.652 -12.036 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.871 -13.039 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.811 -11.925 -4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.946 -11.623 -3.102 1.00 0.00 H new ATOM 871 N LEU A 57 -3.207 -10.013 -6.609 1.00 0.00 N ATOM 872 CA LEU A 57 -2.057 -9.185 -6.284 1.00 0.00 C ATOM 873 C LEU A 57 -1.465 -8.522 -7.524 1.00 0.00 C ATOM 874 O LEU A 57 -0.609 -7.656 -7.409 1.00 0.00 O ATOM 875 CB LEU A 57 -0.991 -10.013 -5.575 1.00 0.00 C ATOM 876 CG LEU A 57 0.120 -9.203 -4.909 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.373 -8.594 -3.606 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.338 -10.080 -4.663 1.00 0.00 C ATOM 0 H LEU A 57 -3.071 -11.010 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.402 -8.394 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.475 -10.629 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.541 -10.693 -6.298 1.00 0.00 H new ATOM 0 HG LEU A 57 0.408 -8.392 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.431 -8.021 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.218 -7.936 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.686 -9.388 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.122 -9.490 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.063 -10.910 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.703 -10.470 -5.613 1.00 0.00 H new ATOM 890 N GLN A 58 -1.915 -8.921 -8.708 1.00 0.00 N ATOM 891 CA GLN A 58 -1.401 -8.324 -9.934 1.00 0.00 C ATOM 892 C GLN A 58 -2.174 -7.059 -10.286 1.00 0.00 C ATOM 893 O GLN A 58 -1.582 -6.012 -10.549 1.00 0.00 O ATOM 894 CB GLN A 58 -1.447 -9.323 -11.096 1.00 0.00 C ATOM 895 CG GLN A 58 -2.775 -10.048 -11.235 1.00 0.00 C ATOM 896 CD GLN A 58 -2.847 -10.895 -12.490 1.00 0.00 C ATOM 897 OE1 GLN A 58 -3.406 -10.476 -13.504 1.00 0.00 O ATOM 898 NE2 GLN A 58 -2.280 -12.094 -12.428 1.00 0.00 N ATOM 0 H GLN A 58 -2.623 -9.643 -8.845 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.359 -8.054 -9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.234 -8.794 -12.025 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.655 -10.060 -10.960 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.931 -10.683 -10.363 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.584 -9.318 -11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.828 -12.400 -11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.297 -12.709 -13.242 1.00 0.00 H new ATOM 907 N GLU A 59 -3.498 -7.157 -10.277 1.00 0.00 N ATOM 908 CA GLU A 59 -4.348 -6.015 -10.584 1.00 0.00 C ATOM 909 C GLU A 59 -4.621 -5.202 -9.326 1.00 0.00 C ATOM 910 O GLU A 59 -4.791 -3.984 -9.385 1.00 0.00 O ATOM 911 CB GLU A 59 -5.666 -6.481 -11.206 1.00 0.00 C ATOM 912 CG GLU A 59 -5.658 -6.474 -12.726 1.00 0.00 C ATOM 913 CD GLU A 59 -6.269 -5.214 -13.307 1.00 0.00 C ATOM 914 OE1 GLU A 59 -7.514 -5.132 -13.371 1.00 0.00 O ATOM 915 OE2 GLU A 59 -5.503 -4.308 -13.698 1.00 0.00 O ATOM 0 H GLU A 59 -4.005 -8.015 -10.061 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.827 -5.383 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.886 -7.490 -10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.472 -5.838 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.632 -6.573 -13.081 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.207 -7.342 -13.092 1.00 0.00 H new ATOM 922 N MET A 60 -4.659 -5.885 -8.187 1.00 0.00 N ATOM 923 CA MET A 60 -4.908 -5.225 -6.914 1.00 0.00 C ATOM 924 C MET A 60 -3.657 -4.511 -6.420 1.00 0.00 C ATOM 925 O MET A 60 -3.747 -3.486 -5.745 1.00 0.00 O ATOM 926 CB MET A 60 -5.383 -6.231 -5.864 1.00 0.00 C ATOM 927 CG MET A 60 -6.154 -5.594 -4.720 1.00 0.00 C ATOM 928 SD MET A 60 -7.940 -5.679 -4.954 1.00 0.00 S ATOM 929 CE MET A 60 -8.444 -4.091 -4.298 1.00 0.00 C ATOM 0 H MET A 60 -4.521 -6.893 -8.121 1.00 0.00 H new ATOM 0 HA MET A 60 -5.693 -4.486 -7.071 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.015 -6.977 -6.346 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.519 -6.758 -5.460 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.890 -6.092 -3.787 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.854 -4.551 -4.621 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.232 -3.672 -4.924 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.817 -4.219 -3.282 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.590 -3.414 -4.288 1.00 0.00 H new ATOM 939 N MET A 61 -2.484 -5.048 -6.760 1.00 0.00 N ATOM 940 CA MET A 61 -1.229 -4.428 -6.337 1.00 0.00 C ATOM 941 C MET A 61 -1.172 -2.976 -6.806 1.00 0.00 C ATOM 942 O MET A 61 -0.764 -2.087 -6.060 1.00 0.00 O ATOM 943 CB MET A 61 -0.024 -5.211 -6.877 1.00 0.00 C ATOM 944 CG MET A 61 1.287 -4.430 -6.894 1.00 0.00 C ATOM 945 SD MET A 61 1.951 -4.216 -8.557 1.00 0.00 S ATOM 946 CE MET A 61 2.542 -5.872 -8.901 1.00 0.00 C ATOM 0 H MET A 61 -2.377 -5.896 -7.317 1.00 0.00 H new ATOM 0 HA MET A 61 -1.188 -4.447 -5.248 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.111 -6.107 -6.272 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.248 -5.542 -7.891 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.127 -3.451 -6.443 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.022 -4.949 -6.278 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.982 -5.902 -9.898 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.295 -6.150 -8.164 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.709 -6.573 -8.851 1.00 0.00 H new ATOM 956 N LYS A 62 -1.585 -2.746 -8.048 1.00 0.00 N ATOM 957 CA LYS A 62 -1.580 -1.403 -8.613 1.00 0.00 C ATOM 958 C LYS A 62 -2.500 -0.474 -7.825 1.00 0.00 C ATOM 959 O LYS A 62 -2.370 0.747 -7.898 1.00 0.00 O ATOM 960 CB LYS A 62 -2.006 -1.445 -10.082 1.00 0.00 C ATOM 961 CG LYS A 62 -1.048 -0.718 -11.013 1.00 0.00 C ATOM 962 CD LYS A 62 -1.756 0.365 -11.813 1.00 0.00 C ATOM 963 CE LYS A 62 -2.023 1.599 -10.967 1.00 0.00 C ATOM 964 NZ LYS A 62 -0.766 2.319 -10.617 1.00 0.00 N ATOM 0 H LYS A 62 -1.926 -3.470 -8.680 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.565 -1.012 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.089 -2.485 -10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.998 -1.003 -10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.242 -0.272 -10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.590 -1.434 -11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.147 0.638 -12.675 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.698 -0.024 -12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.688 2.272 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.540 1.307 -10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.993 3.288 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.284 1.820 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.142 2.352 -11.448 1.00 0.00 H new ATOM 978 N GLU A 63 -3.434 -1.057 -7.078 1.00 0.00 N ATOM 979 CA GLU A 63 -4.374 -0.271 -6.286 1.00 0.00 C ATOM 980 C GLU A 63 -3.703 0.323 -5.050 1.00 0.00 C ATOM 981 O GLU A 63 -4.101 1.385 -4.572 1.00 0.00 O ATOM 982 CB GLU A 63 -5.570 -1.128 -5.870 1.00 0.00 C ATOM 983 CG GLU A 63 -6.793 -0.311 -5.480 1.00 0.00 C ATOM 984 CD GLU A 63 -7.993 -0.598 -6.362 1.00 0.00 C ATOM 985 OE1 GLU A 63 -8.621 -1.662 -6.182 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.304 0.242 -7.232 1.00 0.00 O ATOM 0 H GLU A 63 -3.559 -2.067 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.723 0.552 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.834 -1.793 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.281 -1.759 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.051 -0.523 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.550 0.750 -5.538 1.00 0.00 H new ATOM 993 N PHE A 64 -2.685 -0.360 -4.532 1.00 0.00 N ATOM 994 CA PHE A 64 -1.975 0.120 -3.354 1.00 0.00 C ATOM 995 C PHE A 64 -0.850 1.071 -3.753 1.00 0.00 C ATOM 996 O PHE A 64 -0.487 1.975 -2.999 1.00 0.00 O ATOM 997 CB PHE A 64 -1.444 -1.065 -2.525 1.00 0.00 C ATOM 998 CG PHE A 64 -0.173 -1.683 -3.040 1.00 0.00 C ATOM 999 CD1 PHE A 64 1.028 -0.991 -3.002 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.185 -2.968 -3.554 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.191 -1.571 -3.470 1.00 0.00 C ATOM 1002 CE2 PHE A 64 0.975 -3.553 -4.022 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.164 -2.853 -3.982 1.00 0.00 C ATOM 0 H PHE A 64 -2.336 -1.242 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.673 0.678 -2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.277 -0.727 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.214 -1.835 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.054 0.012 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.113 -3.520 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.121 -1.022 -3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.952 -4.557 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.072 -3.307 -4.351 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.308 0.866 -4.949 1.00 0.00 N ATOM 1014 CA GLN A 65 0.768 1.708 -5.458 1.00 0.00 C ATOM 1015 C GLN A 65 0.215 3.004 -6.044 1.00 0.00 C ATOM 1016 O GLN A 65 0.848 4.057 -5.951 1.00 0.00 O ATOM 1017 CB GLN A 65 1.570 0.957 -6.523 1.00 0.00 C ATOM 1018 CG GLN A 65 2.631 0.035 -5.947 1.00 0.00 C ATOM 1019 CD GLN A 65 3.894 0.003 -6.786 1.00 0.00 C ATOM 1020 OE1 GLN A 65 4.106 -0.917 -7.576 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.741 1.012 -6.619 1.00 0.00 N ATOM 0 H GLN A 65 -0.597 0.123 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 65 1.425 1.958 -4.625 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.885 0.371 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.049 1.681 -7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.879 0.359 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.226 -0.974 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.525 1.754 -5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.607 1.045 -7.157 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.970 2.925 -6.647 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.603 4.097 -7.247 1.00 0.00 C ATOM 1032 C GLN A 66 -1.768 5.210 -6.217 1.00 0.00 C ATOM 1033 O GLN A 66 -1.645 6.391 -6.539 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.966 3.727 -7.838 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.548 4.803 -8.741 1.00 0.00 C ATOM 1036 CD GLN A 66 -4.042 6.011 -7.968 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -4.805 5.881 -7.012 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -3.608 7.196 -8.383 1.00 0.00 N ATOM 0 H GLN A 66 -1.510 2.064 -6.733 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.957 4.456 -8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.868 2.802 -8.406 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.664 3.530 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.790 5.120 -9.457 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.373 4.382 -9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.976 7.257 -9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.907 8.045 -7.904 1.00 0.00 H new ATOM 1047 N VAL A 67 -2.037 4.822 -4.975 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.208 5.783 -3.891 1.00 0.00 C ATOM 1049 C VAL A 67 -0.980 6.682 -3.781 1.00 0.00 C ATOM 1050 O VAL A 67 -1.094 7.906 -3.731 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.451 5.047 -2.551 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.156 5.937 -1.346 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.876 4.511 -2.497 1.00 0.00 C ATOM 0 H VAL A 67 -2.141 3.847 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.077 6.402 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.756 4.208 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.340 5.379 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.114 6.255 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.803 6.814 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.035 3.995 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.580 5.339 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.034 3.815 -3.320 1.00 0.00 H new ATOM 1063 N LEU A 68 0.192 6.062 -3.761 1.00 0.00 N ATOM 1064 CA LEU A 68 1.446 6.797 -3.677 1.00 0.00 C ATOM 1065 C LEU A 68 1.660 7.647 -4.929 1.00 0.00 C ATOM 1066 O LEU A 68 2.537 8.506 -4.957 1.00 0.00 O ATOM 1067 CB LEU A 68 2.599 5.827 -3.467 1.00 0.00 C ATOM 1068 CG LEU A 68 2.964 5.621 -1.998 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.219 4.424 -1.416 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.469 5.452 -1.844 1.00 0.00 C ATOM 0 H LEU A 68 0.300 5.049 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 68 1.404 7.474 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.338 4.864 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.474 6.195 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 68 2.660 6.507 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.495 4.297 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.145 4.593 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.484 3.525 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.713 5.306 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.798 4.585 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.975 6.344 -2.214 1.00 0.00 H new ATOM 1082 N ASP A 69 0.835 7.426 -5.957 1.00 0.00 N ATOM 1083 CA ASP A 69 0.925 8.203 -7.187 1.00 0.00 C ATOM 1084 C ASP A 69 0.469 9.630 -6.906 1.00 0.00 C ATOM 1085 O ASP A 69 1.239 10.579 -7.047 1.00 0.00 O ATOM 1086 CB ASP A 69 0.064 7.578 -8.286 1.00 0.00 C ATOM 1087 CG ASP A 69 0.625 7.826 -9.673 1.00 0.00 C ATOM 1088 OD1 ASP A 69 0.703 9.004 -10.079 1.00 0.00 O ATOM 1089 OD2 ASP A 69 0.986 6.842 -10.352 1.00 0.00 O ATOM 0 H ASP A 69 0.101 6.717 -5.958 1.00 0.00 H new ATOM 0 HA ASP A 69 1.958 8.209 -7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.014 6.504 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.946 7.984 -8.228 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.782 9.766 -6.461 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.340 11.070 -6.104 1.00 0.00 C ATOM 1096 C GLU A 70 -0.367 11.797 -5.194 1.00 0.00 C ATOM 1097 O GLU A 70 -0.145 13.003 -5.300 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.665 10.876 -5.353 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.687 11.969 -5.596 1.00 0.00 C ATOM 1100 CD GLU A 70 -4.775 11.545 -6.562 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -5.739 10.886 -6.118 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -4.664 11.872 -7.762 1.00 0.00 O ATOM 0 H GLU A 70 -1.428 8.986 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.511 11.649 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.098 9.919 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.458 10.819 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.140 12.255 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.183 12.852 -5.988 1.00 0.00 H new ATOM 1109 N LEU A 71 0.191 11.012 -4.293 1.00 0.00 N ATOM 1110 CA LEU A 71 1.141 11.469 -3.301 1.00 0.00 C ATOM 1111 C LEU A 71 2.487 11.848 -3.921 1.00 0.00 C ATOM 1112 O LEU A 71 2.873 13.017 -3.922 1.00 0.00 O ATOM 1113 CB LEU A 71 1.294 10.339 -2.289 1.00 0.00 C ATOM 1114 CG LEU A 71 2.524 10.381 -1.397 1.00 0.00 C ATOM 1115 CD1 LEU A 71 2.156 10.896 -0.019 1.00 0.00 C ATOM 1116 CD2 LEU A 71 3.122 8.992 -1.295 1.00 0.00 C ATOM 0 H LEU A 71 -0.010 10.014 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 71 0.777 12.378 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.411 10.333 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.301 9.394 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 71 3.260 11.057 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.046 10.921 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.744 11.901 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.413 10.236 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.004 9.022 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.387 8.310 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.406 8.644 -2.288 1.00 0.00 H new ATOM 1128 N ASN A 72 3.202 10.852 -4.430 1.00 0.00 N ATOM 1129 CA ASN A 72 4.514 11.071 -5.037 1.00 0.00 C ATOM 1130 C ASN A 72 4.493 12.212 -6.049 1.00 0.00 C ATOM 1131 O ASN A 72 5.500 12.892 -6.249 1.00 0.00 O ATOM 1132 CB ASN A 72 5.003 9.790 -5.716 1.00 0.00 C ATOM 1133 CG ASN A 72 5.584 8.797 -4.729 1.00 0.00 C ATOM 1134 OD1 ASN A 72 5.014 7.732 -4.493 1.00 0.00 O ATOM 1135 ND2 ASN A 72 6.726 9.142 -4.145 1.00 0.00 N ATOM 0 H ASN A 72 2.895 9.879 -4.435 1.00 0.00 H new ATOM 0 HA ASN A 72 5.199 11.348 -4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.173 9.325 -6.249 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.758 10.042 -6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.164 8.514 -3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.165 10.035 -4.370 1.00 0.00 H new ATOM 1142 N ASN A 73 3.349 12.419 -6.692 1.00 0.00 N ATOM 1143 CA ASN A 73 3.220 13.479 -7.686 1.00 0.00 C ATOM 1144 C ASN A 73 2.824 14.808 -7.044 1.00 0.00 C ATOM 1145 O ASN A 73 2.500 15.766 -7.746 1.00 0.00 O ATOM 1146 CB ASN A 73 2.194 13.088 -8.752 1.00 0.00 C ATOM 1147 CG ASN A 73 2.840 12.751 -10.081 1.00 0.00 C ATOM 1148 OD1 ASN A 73 2.762 11.616 -10.552 1.00 0.00 O ATOM 1149 ND2 ASN A 73 3.485 13.738 -10.693 1.00 0.00 N ATOM 0 H ASN A 73 2.502 11.870 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 73 4.195 13.609 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.620 12.230 -8.402 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.489 13.907 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.941 13.570 -11.590 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.524 14.663 -10.266 1.00 0.00 H new ATOM 1156 N HIS A 74 2.845 14.869 -5.714 1.00 0.00 N ATOM 1157 CA HIS A 74 2.479 16.095 -5.012 1.00 0.00 C ATOM 1158 C HIS A 74 3.179 16.208 -3.668 1.00 0.00 C ATOM 1159 O HIS A 74 2.675 16.864 -2.759 1.00 0.00 O ATOM 1160 CB HIS A 74 0.965 16.163 -4.824 1.00 0.00 C ATOM 1161 CG HIS A 74 0.218 16.465 -6.086 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.211 17.711 -6.676 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.551 15.674 -6.872 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.531 17.675 -7.769 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -1.003 16.450 -7.910 1.00 0.00 N ATOM 0 H HIS A 74 3.109 14.093 -5.107 1.00 0.00 H new ATOM 0 HA HIS A 74 2.805 16.935 -5.625 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.614 15.212 -4.422 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.733 16.927 -4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.768 14.628 -6.712 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.719 18.506 -8.433 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.606 16.132 -8.668 1.00 0.00 H new ATOM 1174 N LEU A 75 4.357 15.598 -3.554 1.00 0.00 N ATOM 1175 CA LEU A 75 5.131 15.673 -2.320 1.00 0.00 C ATOM 1176 C LEU A 75 5.272 17.132 -1.905 1.00 0.00 C ATOM 1177 O LEU A 75 6.211 17.814 -2.313 1.00 0.00 O ATOM 1178 CB LEU A 75 6.518 15.060 -2.521 1.00 0.00 C ATOM 1179 CG LEU A 75 6.814 13.808 -1.696 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.218 13.923 -0.300 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.287 12.569 -2.403 1.00 0.00 C ATOM 0 H LEU A 75 4.793 15.050 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 75 4.613 15.114 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.637 14.814 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.267 15.815 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 75 7.895 13.715 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.442 13.020 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.647 14.787 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.137 14.045 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.506 11.686 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.209 12.658 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.768 12.474 -3.377 1.00 0.00 H new ATOM 1193 N GLN A 76 4.317 17.610 -1.124 1.00 0.00 N ATOM 1194 CA GLN A 76 4.313 18.996 -0.685 1.00 0.00 C ATOM 1195 C GLN A 76 5.490 19.284 0.245 1.00 0.00 C ATOM 1196 O GLN A 76 5.306 19.534 1.437 1.00 0.00 O ATOM 1197 CB GLN A 76 2.993 19.328 0.014 1.00 0.00 C ATOM 1198 CG GLN A 76 1.987 20.025 -0.886 1.00 0.00 C ATOM 1199 CD GLN A 76 2.293 21.499 -1.070 1.00 0.00 C ATOM 1200 OE1 GLN A 76 1.878 22.336 -0.269 1.00 0.00 O ATOM 1201 NE2 GLN A 76 3.022 21.824 -2.132 1.00 0.00 N ATOM 0 H GLN A 76 3.532 17.057 -0.780 1.00 0.00 H new ATOM 0 HA GLN A 76 4.416 19.628 -1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.551 18.407 0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.198 19.963 0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.976 19.536 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.989 19.915 -0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.345 21.097 -2.770 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.258 22.800 -2.309 1.00 0.00 H new ATOM 1210 N GLY A 77 6.699 19.251 -0.306 1.00 0.00 N ATOM 1211 CA GLY A 77 7.886 19.510 0.488 1.00 0.00 C ATOM 1212 C GLY A 77 8.003 18.584 1.683 1.00 0.00 C ATOM 1213 O GLY A 77 8.277 19.028 2.798 1.00 0.00 O ATOM 0 H GLY A 77 6.878 19.049 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.770 19.399 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.868 20.543 0.834 1.00 0.00 H new ATOM 1217 N GLY A 78 7.794 17.292 1.451 1.00 0.00 N ATOM 1218 CA GLY A 78 7.881 16.322 2.526 1.00 0.00 C ATOM 1219 C GLY A 78 8.281 14.945 2.034 1.00 0.00 C ATOM 1220 O GLY A 78 7.762 13.934 2.507 1.00 0.00 O ATOM 0 H GLY A 78 7.566 16.900 0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.606 16.666 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.918 16.258 3.032 1.00 0.00 H new ATOM 1224 N LYS A 79 9.206 14.907 1.080 1.00 0.00 N ATOM 1225 CA LYS A 79 9.681 13.648 0.516 1.00 0.00 C ATOM 1226 C LYS A 79 10.006 12.636 1.612 1.00 0.00 C ATOM 1227 O LYS A 79 9.726 11.447 1.472 1.00 0.00 O ATOM 1228 CB LYS A 79 10.920 13.894 -0.351 1.00 0.00 C ATOM 1229 CG LYS A 79 10.789 13.361 -1.769 1.00 0.00 C ATOM 1230 CD LYS A 79 11.168 11.890 -1.851 1.00 0.00 C ATOM 1231 CE LYS A 79 9.946 11.007 -2.044 1.00 0.00 C ATOM 1232 NZ LYS A 79 10.301 9.688 -2.638 1.00 0.00 N ATOM 0 H LYS A 79 9.643 15.737 0.680 1.00 0.00 H new ATOM 0 HA LYS A 79 8.883 13.235 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.117 14.965 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.783 13.429 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.764 13.493 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.428 13.940 -2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.862 11.738 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.689 11.597 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.455 10.852 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.230 11.515 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.493 9.040 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.539 9.813 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.119 9.290 -2.135 1.00 0.00 H new ATOM 1246 N HIS A 80 10.603 13.115 2.698 1.00 0.00 N ATOM 1247 CA HIS A 80 10.974 12.251 3.816 1.00 0.00 C ATOM 1248 C HIS A 80 9.822 11.338 4.225 1.00 0.00 C ATOM 1249 O HIS A 80 10.039 10.199 4.636 1.00 0.00 O ATOM 1250 CB HIS A 80 11.425 13.093 5.012 1.00 0.00 C ATOM 1251 CG HIS A 80 12.282 12.341 5.982 1.00 0.00 C ATOM 1252 ND1 HIS A 80 13.545 11.880 5.673 1.00 0.00 N ATOM 1253 CD2 HIS A 80 12.053 11.970 7.265 1.00 0.00 C ATOM 1254 CE1 HIS A 80 14.054 11.258 6.721 1.00 0.00 C ATOM 1255 NE2 HIS A 80 13.169 11.299 7.700 1.00 0.00 N ATOM 0 H HIS A 80 10.841 14.098 2.829 1.00 0.00 H new ATOM 0 HA HIS A 80 11.801 11.622 3.487 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.976 13.960 4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.545 13.470 5.533 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.159 12.166 7.839 1.00 0.00 H new ATOM 0 HE1 HIS A 80 15.028 10.795 6.769 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.294 10.897 8.629 1.00 0.00 H new ATOM 1264 N THR A 81 8.597 11.835 4.097 1.00 0.00 N ATOM 1265 CA THR A 81 7.423 11.047 4.442 1.00 0.00 C ATOM 1266 C THR A 81 7.272 9.902 3.459 1.00 0.00 C ATOM 1267 O THR A 81 7.546 8.748 3.786 1.00 0.00 O ATOM 1268 CB THR A 81 6.171 11.934 4.438 1.00 0.00 C ATOM 1269 OG1 THR A 81 6.022 12.585 5.686 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.876 11.191 4.157 1.00 0.00 C ATOM 0 H THR A 81 8.393 12.775 3.758 1.00 0.00 H new ATOM 0 HA THR A 81 7.546 10.636 5.444 1.00 0.00 H new ATOM 0 HB THR A 81 6.336 12.640 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.439 13.366 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.043 11.893 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.933 10.718 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.722 10.428 4.920 1.00 0.00 H new ATOM 1278 N VAL A 82 6.848 10.237 2.247 1.00 0.00 N ATOM 1279 CA VAL A 82 6.665 9.243 1.200 1.00 0.00 C ATOM 1280 C VAL A 82 7.895 8.367 1.060 1.00 0.00 C ATOM 1281 O VAL A 82 7.773 7.163 0.886 1.00 0.00 O ATOM 1282 CB VAL A 82 6.362 9.896 -0.155 1.00 0.00 C ATOM 1283 CG1 VAL A 82 6.012 8.837 -1.193 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.238 10.901 -0.004 1.00 0.00 C ATOM 0 H VAL A 82 6.624 11.192 1.966 1.00 0.00 H new ATOM 0 HA VAL A 82 5.813 8.631 1.495 1.00 0.00 H new ATOM 0 HB VAL A 82 7.252 10.422 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.800 9.319 -2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.851 8.152 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.134 8.282 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.029 11.360 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.343 10.395 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.532 11.672 0.708 1.00 0.00 H new ATOM 1294 N HIS A 83 9.083 8.961 1.153 1.00 0.00 N ATOM 1295 CA HIS A 83 10.311 8.184 1.046 1.00 0.00 C ATOM 1296 C HIS A 83 10.221 6.972 1.963 1.00 0.00 C ATOM 1297 O HIS A 83 10.609 5.865 1.596 1.00 0.00 O ATOM 1298 CB HIS A 83 11.530 9.034 1.411 1.00 0.00 C ATOM 1299 CG HIS A 83 12.789 8.598 0.727 1.00 0.00 C ATOM 1300 ND1 HIS A 83 13.046 8.847 -0.605 1.00 0.00 N ATOM 1301 CD2 HIS A 83 13.867 7.927 1.197 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.226 8.347 -0.925 1.00 0.00 C ATOM 1303 NE2 HIS A 83 14.745 7.784 0.151 1.00 0.00 N ATOM 0 H HIS A 83 9.219 9.961 1.300 1.00 0.00 H new ATOM 0 HA HIS A 83 10.430 7.854 0.014 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.328 10.074 1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.680 8.995 2.490 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.010 7.571 2.206 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.688 8.391 -1.900 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.651 7.318 0.198 1.00 0.00 H new ATOM 1312 N HIS A 84 9.679 7.198 3.155 1.00 0.00 N ATOM 1313 CA HIS A 84 9.498 6.132 4.128 1.00 0.00 C ATOM 1314 C HIS A 84 8.304 5.255 3.756 1.00 0.00 C ATOM 1315 O HIS A 84 8.269 4.069 4.084 1.00 0.00 O ATOM 1316 CB HIS A 84 9.305 6.716 5.529 1.00 0.00 C ATOM 1317 CG HIS A 84 10.565 7.256 6.131 1.00 0.00 C ATOM 1318 ND1 HIS A 84 11.605 7.759 5.376 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.952 7.372 7.424 1.00 0.00 C ATOM 1320 CE1 HIS A 84 12.576 8.158 6.178 1.00 0.00 C ATOM 1321 NE2 HIS A 84 12.203 7.935 7.425 1.00 0.00 N ATOM 0 H HIS A 84 9.357 8.113 3.469 1.00 0.00 H new ATOM 0 HA HIS A 84 10.395 5.513 4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.563 7.514 5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.901 5.943 6.183 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.382 7.076 8.292 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.515 8.592 5.867 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.756 8.147 8.255 1.00 0.00 H new ATOM 1330 N ILE A 85 7.320 5.846 3.075 1.00 0.00 N ATOM 1331 CA ILE A 85 6.124 5.108 2.673 1.00 0.00 C ATOM 1332 C ILE A 85 6.350 4.377 1.350 1.00 0.00 C ATOM 1333 O ILE A 85 5.796 3.305 1.131 1.00 0.00 O ATOM 1334 CB ILE A 85 4.842 6.009 2.626 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.362 6.312 1.202 1.00 0.00 C ATOM 1336 CG2 ILE A 85 5.044 7.301 3.391 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.853 6.458 1.107 1.00 0.00 C ATOM 0 H ILE A 85 7.328 6.826 2.793 1.00 0.00 H new ATOM 0 HA ILE A 85 5.940 4.360 3.445 1.00 0.00 H new ATOM 0 HB ILE A 85 4.059 5.425 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.834 7.230 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.688 5.513 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.136 7.901 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.269 7.075 4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.873 7.857 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.572 6.672 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.377 5.532 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.525 7.276 1.749 1.00 0.00 H new ATOM 1349 N GLU A 86 7.185 4.944 0.485 1.00 0.00 N ATOM 1350 CA GLU A 86 7.496 4.316 -0.794 1.00 0.00 C ATOM 1351 C GLU A 86 8.460 3.163 -0.567 1.00 0.00 C ATOM 1352 O GLU A 86 8.227 2.052 -1.035 1.00 0.00 O ATOM 1353 CB GLU A 86 8.086 5.330 -1.784 1.00 0.00 C ATOM 1354 CG GLU A 86 9.153 6.234 -1.193 1.00 0.00 C ATOM 1355 CD GLU A 86 10.460 6.177 -1.958 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.434 5.802 -3.150 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.510 6.509 -1.368 1.00 0.00 O ATOM 0 H GLU A 86 7.657 5.834 0.646 1.00 0.00 H new ATOM 0 HA GLU A 86 6.573 3.935 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.512 4.789 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.279 5.949 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.788 7.261 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.331 5.949 -0.156 1.00 0.00 H new ATOM 1364 N GLN A 87 9.526 3.412 0.193 1.00 0.00 N ATOM 1365 CA GLN A 87 10.482 2.360 0.503 1.00 0.00 C ATOM 1366 C GLN A 87 9.744 1.194 1.145 1.00 0.00 C ATOM 1367 O GLN A 87 10.132 0.036 1.002 1.00 0.00 O ATOM 1368 CB GLN A 87 11.572 2.877 1.447 1.00 0.00 C ATOM 1369 CG GLN A 87 12.910 3.111 0.765 1.00 0.00 C ATOM 1370 CD GLN A 87 12.858 4.235 -0.252 1.00 0.00 C ATOM 1371 OE1 GLN A 87 13.193 5.379 0.054 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.438 3.913 -1.470 1.00 0.00 N ATOM 0 H GLN A 87 9.744 4.322 0.599 1.00 0.00 H new ATOM 0 HA GLN A 87 10.963 2.031 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.236 3.810 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.708 2.161 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.662 3.343 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.227 2.193 0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.170 2.951 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.383 4.627 -2.196 1.00 0.00 H new ATOM 1381 N ASN A 88 8.662 1.523 1.845 1.00 0.00 N ATOM 1382 CA ASN A 88 7.834 0.529 2.506 1.00 0.00 C ATOM 1383 C ASN A 88 6.838 -0.082 1.524 1.00 0.00 C ATOM 1384 O ASN A 88 6.833 -1.291 1.303 1.00 0.00 O ATOM 1385 CB ASN A 88 7.089 1.163 3.682 1.00 0.00 C ATOM 1386 CG ASN A 88 7.829 0.992 4.995 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.347 0.324 5.910 1.00 0.00 O ATOM 1388 ND2 ASN A 88 9.006 1.597 5.093 1.00 0.00 N ATOM 0 H ASN A 88 8.339 2.483 1.967 1.00 0.00 H new ATOM 0 HA ASN A 88 8.481 -0.264 2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.943 2.225 3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.099 0.715 3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.550 1.518 5.952 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.367 2.141 4.309 1.00 0.00 H new ATOM 1395 N ILE A 89 5.988 0.765 0.943 1.00 0.00 N ATOM 1396 CA ILE A 89 4.979 0.301 -0.003 1.00 0.00 C ATOM 1397 C ILE A 89 5.605 -0.360 -1.220 1.00 0.00 C ATOM 1398 O ILE A 89 5.219 -1.467 -1.595 1.00 0.00 O ATOM 1399 CB ILE A 89 4.028 1.444 -0.447 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.641 1.197 0.131 1.00 0.00 C ATOM 1401 CG2 ILE A 89 3.944 1.566 -1.967 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.076 2.383 0.892 1.00 0.00 C ATOM 0 H ILE A 89 5.980 1.771 1.111 1.00 0.00 H new ATOM 0 HA ILE A 89 4.387 -0.446 0.526 1.00 0.00 H new ATOM 0 HB ILE A 89 4.433 2.383 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.960 0.939 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.683 0.336 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.267 2.379 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.935 1.774 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.570 0.632 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.086 2.132 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.735 2.628 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.000 3.241 0.224 1.00 0.00 H new ATOM 1414 N LYS A 90 6.566 0.305 -1.843 1.00 0.00 N ATOM 1415 CA LYS A 90 7.206 -0.272 -3.010 1.00 0.00 C ATOM 1416 C LYS A 90 7.892 -1.576 -2.632 1.00 0.00 C ATOM 1417 O LYS A 90 8.002 -2.490 -3.447 1.00 0.00 O ATOM 1418 CB LYS A 90 8.203 0.699 -3.648 1.00 0.00 C ATOM 1419 CG LYS A 90 7.560 1.694 -4.599 1.00 0.00 C ATOM 1420 CD LYS A 90 7.096 2.945 -3.871 1.00 0.00 C ATOM 1421 CE LYS A 90 7.316 4.192 -4.712 1.00 0.00 C ATOM 1422 NZ LYS A 90 6.717 4.061 -6.069 1.00 0.00 N ATOM 0 H LYS A 90 6.912 1.224 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 90 6.435 -0.476 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.721 1.245 -2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.958 0.128 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.273 1.968 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.711 1.226 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.038 2.853 -3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.636 3.040 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.881 5.053 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.385 4.383 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.692 4.993 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.291 3.408 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.749 3.689 -5.987 1.00 0.00 H new ATOM 1436 N GLU A 91 8.322 -1.665 -1.377 1.00 0.00 N ATOM 1437 CA GLU A 91 8.959 -2.873 -0.874 1.00 0.00 C ATOM 1438 C GLU A 91 7.908 -3.807 -0.275 1.00 0.00 C ATOM 1439 O GLU A 91 8.228 -4.898 0.197 1.00 0.00 O ATOM 1440 CB GLU A 91 10.018 -2.528 0.175 1.00 0.00 C ATOM 1441 CG GLU A 91 10.911 -3.701 0.547 1.00 0.00 C ATOM 1442 CD GLU A 91 12.289 -3.605 -0.077 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.763 -2.471 -0.299 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.895 -4.664 -0.344 1.00 0.00 O ATOM 0 H GLU A 91 8.240 -0.914 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 91 9.451 -3.378 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.639 -1.715 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.522 -2.161 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.010 -3.748 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.436 -4.629 0.230 1.00 0.00 H new ATOM 1451 N ILE A 92 6.644 -3.375 -0.317 1.00 0.00 N ATOM 1452 CA ILE A 92 5.545 -4.168 0.196 1.00 0.00 C ATOM 1453 C ILE A 92 5.191 -5.236 -0.822 1.00 0.00 C ATOM 1454 O ILE A 92 5.025 -6.406 -0.484 1.00 0.00 O ATOM 1455 CB ILE A 92 4.315 -3.283 0.529 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.068 -3.280 2.038 1.00 0.00 C ATOM 1457 CG2 ILE A 92 3.064 -3.740 -0.208 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.282 -2.874 2.847 1.00 0.00 C ATOM 0 H ILE A 92 6.365 -2.474 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 92 5.853 -4.644 1.127 1.00 0.00 H new ATOM 0 HB ILE A 92 4.537 -2.270 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.247 -2.599 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.750 -4.275 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.229 -3.091 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.236 -3.690 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.830 -4.766 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.035 -2.894 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.099 -3.569 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.587 -1.867 2.564 1.00 0.00 H new ATOM 1470 N PHE A 93 5.117 -4.821 -2.083 1.00 0.00 N ATOM 1471 CA PHE A 93 4.821 -5.738 -3.170 1.00 0.00 C ATOM 1472 C PHE A 93 5.785 -6.927 -3.132 1.00 0.00 C ATOM 1473 O PHE A 93 5.473 -8.012 -3.614 1.00 0.00 O ATOM 1474 CB PHE A 93 4.940 -5.011 -4.517 1.00 0.00 C ATOM 1475 CG PHE A 93 6.268 -5.223 -5.180 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.434 -4.934 -4.498 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.353 -5.741 -6.460 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.663 -5.153 -5.075 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.583 -5.959 -7.050 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.742 -5.666 -6.355 1.00 0.00 C ATOM 0 H PHE A 93 5.259 -3.854 -2.374 1.00 0.00 H new ATOM 0 HA PHE A 93 3.801 -6.105 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.149 -5.357 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.783 -3.943 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.380 -4.530 -3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.450 -5.977 -7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.566 -4.924 -4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.639 -6.358 -8.052 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.706 -5.838 -6.811 1.00 0.00 H new ATOM 1490 N HIS A 94 6.972 -6.695 -2.565 1.00 0.00 N ATOM 1491 CA HIS A 94 7.994 -7.730 -2.471 1.00 0.00 C ATOM 1492 C HIS A 94 7.478 -8.907 -1.667 1.00 0.00 C ATOM 1493 O HIS A 94 7.308 -10.006 -2.191 1.00 0.00 O ATOM 1494 CB HIS A 94 9.265 -7.168 -1.829 1.00 0.00 C ATOM 1495 CG HIS A 94 10.513 -7.484 -2.593 1.00 0.00 C ATOM 1496 ND1 HIS A 94 11.060 -8.748 -2.653 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.326 -6.689 -3.330 1.00 0.00 C ATOM 1498 CE1 HIS A 94 12.153 -8.718 -3.394 1.00 0.00 C ATOM 1499 NE2 HIS A 94 12.337 -7.481 -3.817 1.00 0.00 N ATOM 0 H HIS A 94 7.245 -5.797 -2.165 1.00 0.00 H new ATOM 0 HA HIS A 94 8.234 -8.072 -3.478 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.168 -6.086 -1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.358 -7.565 -0.818 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.202 -5.630 -3.502 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.789 -9.562 -3.616 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.105 -7.165 -4.409 1.00 0.00 H new ATOM 1508 N HIS A 95 7.202 -8.661 -0.394 1.00 0.00 N ATOM 1509 CA HIS A 95 6.673 -9.696 0.480 1.00 0.00 C ATOM 1510 C HIS A 95 5.276 -10.109 0.028 1.00 0.00 C ATOM 1511 O HIS A 95 4.722 -11.091 0.522 1.00 0.00 O ATOM 1512 CB HIS A 95 6.631 -9.203 1.927 1.00 0.00 C ATOM 1513 CG HIS A 95 7.966 -9.222 2.604 1.00 0.00 C ATOM 1514 ND1 HIS A 95 8.266 -10.066 3.652 1.00 0.00 N ATOM 1515 CD2 HIS A 95 9.085 -8.494 2.377 1.00 0.00 C ATOM 1516 CE1 HIS A 95 9.511 -9.856 4.041 1.00 0.00 C ATOM 1517 NE2 HIS A 95 10.029 -8.908 3.283 1.00 0.00 N ATOM 0 H HIS A 95 7.336 -7.755 0.055 1.00 0.00 H new ATOM 0 HA HIS A 95 7.331 -10.563 0.424 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.238 -8.186 1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.936 -9.823 2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.211 -7.730 1.624 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.018 -10.372 4.843 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.978 -8.542 3.358 1.00 0.00 H new ATOM 1526 N LEU A 96 4.709 -9.356 -0.916 1.00 0.00 N ATOM 1527 CA LEU A 96 3.380 -9.656 -1.426 1.00 0.00 C ATOM 1528 C LEU A 96 3.467 -10.611 -2.605 1.00 0.00 C ATOM 1529 O LEU A 96 2.908 -11.708 -2.574 1.00 0.00 O ATOM 1530 CB LEU A 96 2.676 -8.366 -1.836 1.00 0.00 C ATOM 1531 CG LEU A 96 2.244 -7.479 -0.676 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.445 -6.293 -1.186 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.435 -8.265 0.347 1.00 0.00 C ATOM 0 H LEU A 96 5.151 -8.539 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 96 2.801 -10.137 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.342 -7.795 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.797 -8.621 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 96 3.143 -7.110 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.144 -5.669 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.059 -5.708 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.558 -6.650 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.141 -7.605 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.543 -8.672 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.041 -9.081 0.741 1.00 0.00 H new ATOM 1545 N GLU A 97 4.192 -10.196 -3.634 1.00 0.00 N ATOM 1546 CA GLU A 97 4.378 -11.024 -4.814 1.00 0.00 C ATOM 1547 C GLU A 97 5.283 -12.209 -4.485 1.00 0.00 C ATOM 1548 O GLU A 97 5.406 -13.144 -5.275 1.00 0.00 O ATOM 1549 CB GLU A 97 4.977 -10.201 -5.957 1.00 0.00 C ATOM 1550 CG GLU A 97 3.999 -9.930 -7.088 1.00 0.00 C ATOM 1551 CD GLU A 97 3.737 -11.156 -7.940 1.00 0.00 C ATOM 1552 OE1 GLU A 97 3.306 -12.187 -7.382 1.00 0.00 O ATOM 1553 OE2 GLU A 97 3.966 -11.087 -9.166 1.00 0.00 O ATOM 0 H GLU A 97 4.660 -9.291 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 97 3.406 -11.400 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.334 -9.250 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.845 -10.726 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.057 -9.574 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.391 -9.131 -7.718 1.00 0.00 H new ATOM 1560 N GLU A 98 5.910 -12.166 -3.307 1.00 0.00 N ATOM 1561 CA GLU A 98 6.795 -13.246 -2.879 1.00 0.00 C ATOM 1562 C GLU A 98 6.025 -14.304 -2.092 1.00 0.00 C ATOM 1563 O GLU A 98 6.532 -15.398 -1.846 1.00 0.00 O ATOM 1564 CB GLU A 98 7.940 -12.697 -2.026 1.00 0.00 C ATOM 1565 CG GLU A 98 9.025 -12.006 -2.836 1.00 0.00 C ATOM 1566 CD GLU A 98 10.163 -12.939 -3.199 1.00 0.00 C ATOM 1567 OE1 GLU A 98 9.971 -13.789 -4.093 1.00 0.00 O ATOM 1568 OE2 GLU A 98 11.247 -12.817 -2.591 1.00 0.00 O ATOM 0 H GLU A 98 5.821 -11.400 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 98 7.210 -13.711 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.535 -11.992 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.386 -13.516 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.589 -11.599 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.418 -11.164 -2.267 1.00 0.00 H new ATOM 1575 N LEU A 99 4.800 -13.970 -1.695 1.00 0.00 N ATOM 1576 CA LEU A 99 3.966 -14.889 -0.934 1.00 0.00 C ATOM 1577 C LEU A 99 3.171 -15.802 -1.862 1.00 0.00 C ATOM 1578 O LEU A 99 3.259 -17.026 -1.770 1.00 0.00 O ATOM 1579 CB LEU A 99 3.011 -14.106 -0.033 1.00 0.00 C ATOM 1580 CG LEU A 99 2.066 -14.963 0.808 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.658 -15.224 2.184 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.712 -14.287 0.932 1.00 0.00 C ATOM 0 H LEU A 99 4.365 -13.068 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 99 4.618 -15.509 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.600 -13.478 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.415 -13.438 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 99 1.933 -15.922 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.969 -15.836 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.608 -15.748 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.822 -14.275 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.049 -14.909 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.833 -13.316 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.281 -14.151 -0.060 1.00 0.00 H new ATOM 1594 N VAL A 100 2.393 -15.198 -2.756 1.00 0.00 N ATOM 1595 CA VAL A 100 1.582 -15.958 -3.699 1.00 0.00 C ATOM 1596 C VAL A 100 2.454 -16.791 -4.633 1.00 0.00 C ATOM 1597 O VAL A 100 2.184 -17.969 -4.863 1.00 0.00 O ATOM 1598 CB VAL A 100 0.683 -15.030 -4.539 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.220 -15.842 -5.457 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.141 -14.125 -3.635 1.00 0.00 C ATOM 0 H VAL A 100 2.308 -14.186 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 100 0.953 -16.625 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 100 1.322 -14.403 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.846 -15.168 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.391 -16.443 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.853 -16.497 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.770 -13.477 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.770 -14.734 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.526 -13.515 -3.026 1.00 0.00 H new ATOM 1610 N HIS A 101 3.500 -16.171 -5.170 1.00 0.00 N ATOM 1611 CA HIS A 101 4.409 -16.858 -6.081 1.00 0.00 C ATOM 1612 C HIS A 101 5.062 -18.057 -5.401 1.00 0.00 C ATOM 1613 O HIS A 101 5.393 -19.047 -6.053 1.00 0.00 O ATOM 1614 CB HIS A 101 5.485 -15.893 -6.583 1.00 0.00 C ATOM 1615 CG HIS A 101 6.000 -16.229 -7.949 1.00 0.00 C ATOM 1616 ND1 HIS A 101 5.633 -15.538 -9.084 1.00 0.00 N ATOM 1617 CD2 HIS A 101 6.861 -17.191 -8.358 1.00 0.00 C ATOM 1618 CE1 HIS A 101 6.244 -16.060 -10.133 1.00 0.00 C ATOM 1619 NE2 HIS A 101 6.996 -17.063 -9.719 1.00 0.00 N ATOM 0 H HIS A 101 3.739 -15.196 -4.991 1.00 0.00 H new ATOM 0 HA HIS A 101 3.828 -17.219 -6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.078 -14.882 -6.596 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.318 -15.892 -5.880 1.00 0.00 H new ATOM 0 HD2 HIS A 101 7.350 -17.922 -7.731 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.145 -15.724 -11.154 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.583 -17.648 -10.314 1.00 0.00 H new ATOM 1628 N ARG A 102 5.242 -17.961 -4.088 1.00 0.00 N ATOM 1629 CA ARG A 102 5.856 -19.040 -3.320 1.00 0.00 C ATOM 1630 C ARG A 102 4.792 -19.906 -2.654 1.00 0.00 C ATOM 1631 O ARG A 102 5.170 -20.835 -1.908 1.00 0.00 O ATOM 1632 CB ARG A 102 6.803 -18.466 -2.264 1.00 0.00 C ATOM 1633 CG ARG A 102 8.096 -19.253 -2.115 1.00 0.00 C ATOM 1634 CD ARG A 102 9.294 -18.331 -1.953 1.00 0.00 C ATOM 1635 NE ARG A 102 10.241 -18.833 -0.960 1.00 0.00 N ATOM 1636 CZ ARG A 102 11.063 -19.857 -1.171 1.00 0.00 C ATOM 1637 NH1 ARG A 102 11.059 -20.492 -2.337 1.00 0.00 N ATOM 1638 NH2 ARG A 102 11.894 -20.249 -0.214 1.00 0.00 N ATOM 1639 OXT ARG A 102 3.591 -19.649 -2.882 1.00 0.00 O ATOM 0 H ARG A 102 4.972 -17.149 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 102 6.427 -19.665 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.043 -17.435 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 102 6.290 -18.441 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.024 -19.913 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.240 -19.888 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.799 -18.221 -2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.951 -17.339 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 102 10.274 -18.371 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.423 -20.195 -3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.692 -21.277 -2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.903 -19.765 0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.524 -21.034 -0.376 1.00 0.00 H new