USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 978 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 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 1 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.39) USER MOD Single : A 1 GLN N :NH3+ 155:sc= -0.135 (180deg=-0.329) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0201) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -137:sc= -0.399 (180deg=-1.92!) USER MOD Single : A 12 ASN : amide:sc=-0.00525 X(o=-0.0052,f=-0.00074) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 21 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.63) USER MOD Single : A 23 ASN : amide:sc=0.000365 X(o=0.00037,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0721) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 32 GLN : amide:sc= -9.65! C(o=-9.6!,f=-11!) USER MOD Single : A 37 GLN : amide:sc= 0.0175 X(o=0.018,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.086 K(o=-0.086,f=-3.7!) USER MOD Single : A 46 ASN : amide:sc= -0.496 K(o=-0.5,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= -0.113 (180deg=-0.574) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.28! C(o=-1.3!,f=-2.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 83:sc= -4.02! USER MOD Single : A 65 MET CE :methyl -131:sc= -0.965 (180deg=-2.98!) USER MOD Single : A 70 GLN : amide:sc= -2.7! C(o=-2.7!,f=-7.5!) USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= 0.913 (180deg=0.547) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.081) USER MOD Single : A 89 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.4!) USER MOD Single : A 90 TYR OH : rot -164:sc= -0.405 USER MOD Single : A 94 GLN : amide:sc=-0.00961 X(o=-0.0096,f=0) USER MOD Single : A 95 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 97 SER OG : rot 89:sc= 0.703 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -31:sc= -0.147 USER MOD Single : A 109 GLN : amide:sc= -0.0606 K(o=-0.061,f=-1.5!) USER MOD Single : A 110 LYS NZ :NH3+ -131:sc= 0.168 (180deg=-0.45) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= -0.185 K(o=-0.19,f=-0.77) USER MOD Single : A 116 THR OG1 : rot -107:sc= -0.343 USER MOD Single : A 117 GLN : amide:sc= -0.0364 X(o=-0.036,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -17.926 12.739 -18.402 1.00 0.00 N ATOM 2 CA GLN A 1 -16.714 13.430 -18.825 1.00 0.00 C ATOM 3 C GLN A 1 -15.956 13.984 -17.624 1.00 0.00 C ATOM 4 O GLN A 1 -16.550 14.292 -16.592 1.00 0.00 O ATOM 5 CB GLN A 1 -17.060 14.564 -19.792 1.00 0.00 C ATOM 6 CG GLN A 1 -17.981 15.615 -19.193 1.00 0.00 C ATOM 7 CD GLN A 1 -19.448 15.280 -19.380 1.00 0.00 C ATOM 8 OE1 GLN A 1 -20.196 15.154 -18.411 1.00 0.00 O ATOM 9 NE2 GLN A 1 -19.867 15.132 -20.631 1.00 0.00 N ATOM 0 H1 GLN A 1 -18.618 12.744 -19.179 1.00 0.00 H new ATOM 0 H2 GLN A 1 -17.696 11.757 -18.150 1.00 0.00 H new ATOM 0 H3 GLN A 1 -18.331 13.223 -17.575 1.00 0.00 H new ATOM 0 HA GLN A 1 -16.074 12.710 -19.334 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -16.138 15.045 -20.120 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -17.532 14.142 -20.679 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -17.768 15.715 -18.129 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -17.771 16.581 -19.653 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -19.212 15.246 -21.405 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -20.844 14.905 -20.818 1.00 0.00 H new ATOM 18 N GLU A 2 -14.640 14.108 -17.766 1.00 0.00 N ATOM 19 CA GLU A 2 -13.801 14.624 -16.691 1.00 0.00 C ATOM 20 C GLU A 2 -12.559 15.312 -17.252 1.00 0.00 C ATOM 21 O GLU A 2 -11.842 14.745 -18.078 1.00 0.00 O ATOM 22 CB GLU A 2 -13.388 13.492 -15.748 1.00 0.00 C ATOM 23 CG GLU A 2 -12.789 12.293 -16.462 1.00 0.00 C ATOM 24 CD GLU A 2 -12.648 11.085 -15.557 1.00 0.00 C ATOM 25 OE1 GLU A 2 -13.539 10.874 -14.706 1.00 0.00 O ATOM 26 OE2 GLU A 2 -11.647 10.350 -15.697 1.00 0.00 O ATOM 0 H GLU A 2 -14.132 13.858 -18.615 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.381 15.359 -16.133 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.664 13.875 -15.029 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.260 13.168 -15.180 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.416 12.032 -17.315 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.810 12.562 -16.857 1.00 0.00 H new ATOM 33 N HIS A 3 -12.310 16.535 -16.797 1.00 0.00 N ATOM 34 CA HIS A 3 -11.156 17.300 -17.252 1.00 0.00 C ATOM 35 C HIS A 3 -9.858 16.676 -16.750 1.00 0.00 C ATOM 36 O HIS A 3 -9.862 15.886 -15.806 1.00 0.00 O ATOM 37 CB HIS A 3 -11.257 18.749 -16.775 1.00 0.00 C ATOM 38 CG HIS A 3 -12.397 19.503 -17.388 1.00 0.00 C ATOM 39 ND1 HIS A 3 -13.344 20.172 -16.641 1.00 0.00 N ATOM 40 CD2 HIS A 3 -12.739 19.693 -18.683 1.00 0.00 C ATOM 41 CE1 HIS A 3 -14.220 20.740 -17.451 1.00 0.00 C ATOM 42 NE2 HIS A 3 -13.875 20.465 -18.696 1.00 0.00 N ATOM 0 H HIS A 3 -12.893 17.018 -16.113 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.148 17.284 -18.342 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.367 18.759 -15.691 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.325 19.265 -17.006 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.216 19.309 -19.546 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.073 21.329 -17.147 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -14.371 20.775 -19.531 1.00 0.00 H new ATOM 50 N LYS A 4 -8.748 17.036 -17.386 1.00 0.00 N ATOM 51 CA LYS A 4 -7.442 16.512 -17.005 1.00 0.00 C ATOM 52 C LYS A 4 -7.105 16.887 -15.565 1.00 0.00 C ATOM 53 O LYS A 4 -7.679 17.813 -14.988 1.00 0.00 O ATOM 54 CB LYS A 4 -6.360 17.044 -17.947 1.00 0.00 C ATOM 55 CG LYS A 4 -6.130 16.167 -19.166 1.00 0.00 C ATOM 56 CD LYS A 4 -5.332 16.896 -20.234 1.00 0.00 C ATOM 57 CE LYS A 4 -4.581 15.923 -21.129 1.00 0.00 C ATOM 58 NZ LYS A 4 -5.507 15.013 -21.860 1.00 0.00 N ATOM 0 H LYS A 4 -8.727 17.690 -18.169 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.479 15.425 -17.081 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.638 18.045 -18.277 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.424 17.138 -17.396 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.601 15.262 -18.869 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.090 15.855 -19.577 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.003 17.505 -20.839 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.625 17.577 -19.760 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.978 16.480 -21.846 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.892 15.332 -20.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.965 14.435 -22.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.991 14.391 -21.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.212 15.577 -22.376 1.00 0.00 H new ATOM 72 N PRO A 5 -6.153 16.154 -14.968 1.00 0.00 N ATOM 73 CA PRO A 5 -5.718 16.393 -13.589 1.00 0.00 C ATOM 74 C PRO A 5 -4.942 17.697 -13.443 1.00 0.00 C ATOM 75 O PRO A 5 -3.779 17.787 -13.836 1.00 0.00 O ATOM 76 CB PRO A 5 -4.813 15.196 -13.291 1.00 0.00 C ATOM 77 CG PRO A 5 -4.315 14.755 -14.624 1.00 0.00 C ATOM 78 CD PRO A 5 -5.429 15.037 -15.595 1.00 0.00 C ATOM 0 HA PRO A 5 -6.562 16.488 -12.906 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.990 15.476 -12.634 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.363 14.399 -12.791 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.410 15.295 -14.901 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.063 13.694 -14.616 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.046 15.308 -16.579 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.072 14.168 -15.732 1.00 0.00 H new ATOM 86 N LYS A 6 -5.593 18.708 -12.877 1.00 0.00 N ATOM 87 CA LYS A 6 -4.965 20.008 -12.678 1.00 0.00 C ATOM 88 C LYS A 6 -4.803 20.312 -11.192 1.00 0.00 C ATOM 89 O LYS A 6 -4.947 21.456 -10.762 1.00 0.00 O ATOM 90 CB LYS A 6 -5.795 21.106 -13.346 1.00 0.00 C ATOM 91 CG LYS A 6 -4.982 22.328 -13.740 1.00 0.00 C ATOM 92 CD LYS A 6 -5.663 23.118 -14.845 1.00 0.00 C ATOM 93 CE LYS A 6 -5.261 22.610 -16.222 1.00 0.00 C ATOM 94 NZ LYS A 6 -3.959 23.180 -16.664 1.00 0.00 N ATOM 0 H LYS A 6 -6.557 18.651 -12.548 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.976 19.980 -13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.275 20.697 -14.235 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.591 21.413 -12.667 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.839 22.968 -12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.992 22.016 -14.072 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.745 23.047 -14.731 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.402 24.172 -14.754 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.194 21.522 -16.203 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.035 22.868 -16.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.720 22.810 -17.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.031 24.217 -16.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.215 22.912 -15.988 1.00 0.00 H new ATOM 108 N LYS A 7 -4.499 19.280 -10.411 1.00 0.00 N ATOM 109 CA LYS A 7 -4.313 19.436 -8.974 1.00 0.00 C ATOM 110 C LYS A 7 -3.069 18.691 -8.501 1.00 0.00 C ATOM 111 O LYS A 7 -2.766 17.600 -8.984 1.00 0.00 O ATOM 112 CB LYS A 7 -5.544 18.923 -8.221 1.00 0.00 C ATOM 113 CG LYS A 7 -5.551 19.287 -6.747 1.00 0.00 C ATOM 114 CD LYS A 7 -5.954 20.737 -6.532 1.00 0.00 C ATOM 115 CE LYS A 7 -7.466 20.901 -6.542 1.00 0.00 C ATOM 116 NZ LYS A 7 -7.988 21.146 -7.916 1.00 0.00 N ATOM 0 H LYS A 7 -4.376 18.326 -10.750 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.181 20.497 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.441 19.327 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.594 17.839 -8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.241 18.634 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.561 19.117 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.555 21.090 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.514 21.358 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.931 20.005 -6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.746 21.731 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.706 21.898 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.207 21.438 -8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.416 20.273 -8.285 1.00 0.00 H new ATOM 130 N ASP A 8 -2.352 19.287 -7.555 1.00 0.00 N ATOM 131 CA ASP A 8 -1.141 18.680 -7.015 1.00 0.00 C ATOM 132 C ASP A 8 -1.478 17.453 -6.174 1.00 0.00 C ATOM 133 O ASP A 8 -2.371 17.495 -5.328 1.00 0.00 O ATOM 134 CB ASP A 8 -0.366 19.695 -6.174 1.00 0.00 C ATOM 135 CG ASP A 8 0.275 20.778 -7.018 1.00 0.00 C ATOM 136 OD1 ASP A 8 -0.467 21.530 -7.684 1.00 0.00 O ATOM 137 OD2 ASP A 8 1.520 20.874 -7.012 1.00 0.00 O ATOM 0 H ASP A 8 -2.589 20.191 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.518 18.365 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.041 20.154 -5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.406 19.177 -5.605 1.00 0.00 H new ATOM 142 N ASP A 9 -0.758 16.362 -6.414 1.00 0.00 N ATOM 143 CA ASP A 9 -0.980 15.123 -5.678 1.00 0.00 C ATOM 144 C ASP A 9 -0.645 15.301 -4.201 1.00 0.00 C ATOM 145 O ASP A 9 -1.481 15.059 -3.330 1.00 0.00 O ATOM 146 CB ASP A 9 -0.139 13.993 -6.273 1.00 0.00 C ATOM 147 CG ASP A 9 -0.544 12.630 -5.748 1.00 0.00 C ATOM 148 OD1 ASP A 9 -1.436 12.001 -6.355 1.00 0.00 O ATOM 149 OD2 ASP A 9 0.030 12.191 -4.730 1.00 0.00 O ATOM 0 H ASP A 9 -0.016 16.311 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.035 14.863 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.237 14.004 -7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.913 14.169 -6.046 1.00 0.00 H new ATOM 154 N PHE A 10 0.584 15.723 -3.924 1.00 0.00 N ATOM 155 CA PHE A 10 1.032 15.930 -2.552 1.00 0.00 C ATOM 156 C PHE A 10 0.245 17.056 -1.888 1.00 0.00 C ATOM 157 O PHE A 10 -0.465 17.809 -2.556 1.00 0.00 O ATOM 158 CB PHE A 10 2.528 16.254 -2.525 1.00 0.00 C ATOM 159 CG PHE A 10 3.400 15.081 -2.872 1.00 0.00 C ATOM 160 CD1 PHE A 10 3.559 14.686 -4.190 1.00 0.00 C ATOM 161 CD2 PHE A 10 4.062 14.376 -1.880 1.00 0.00 C ATOM 162 CE1 PHE A 10 4.361 13.607 -4.512 1.00 0.00 C ATOM 163 CE2 PHE A 10 4.866 13.296 -2.196 1.00 0.00 C ATOM 164 CZ PHE A 10 5.016 12.912 -3.514 1.00 0.00 C ATOM 0 H PHE A 10 1.288 15.929 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 10 0.856 15.009 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.729 17.066 -3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.796 16.615 -1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.051 15.227 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.949 14.673 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.475 13.308 -5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.376 12.754 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.644 12.070 -3.764 1.00 0.00 H new ATOM 174 N ARG A 11 0.376 17.165 -0.570 1.00 0.00 N ATOM 175 CA ARG A 11 -0.324 18.196 0.185 1.00 0.00 C ATOM 176 C ARG A 11 0.545 18.720 1.324 1.00 0.00 C ATOM 177 O ARG A 11 1.557 18.115 1.675 1.00 0.00 O ATOM 178 CB ARG A 11 -1.638 17.647 0.744 1.00 0.00 C ATOM 179 CG ARG A 11 -2.648 18.726 1.098 1.00 0.00 C ATOM 180 CD ARG A 11 -4.062 18.171 1.150 1.00 0.00 C ATOM 181 NE ARG A 11 -5.066 19.205 0.915 1.00 0.00 N ATOM 182 CZ ARG A 11 -5.307 19.738 -0.278 1.00 0.00 C ATOM 183 NH1 ARG A 11 -4.620 19.335 -1.338 1.00 0.00 N ATOM 184 NH2 ARG A 11 -6.236 20.675 -0.411 1.00 0.00 N ATOM 0 H ARG A 11 0.961 16.551 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.542 19.021 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.081 16.973 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.425 17.055 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.392 19.163 2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.598 19.528 0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.170 17.385 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.236 17.712 2.123 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.612 19.536 1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.905 18.614 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.807 19.745 -2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.766 20.987 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.421 21.084 -1.327 1.00 0.00 H new ATOM 198 N ASN A 12 0.144 19.851 1.897 1.00 0.00 N ATOM 199 CA ASN A 12 0.887 20.457 2.995 1.00 0.00 C ATOM 200 C ASN A 12 -0.024 20.715 4.191 1.00 0.00 C ATOM 201 O ASN A 12 0.209 21.635 4.975 1.00 0.00 O ATOM 202 CB ASN A 12 1.533 21.767 2.540 1.00 0.00 C ATOM 203 CG ASN A 12 0.540 22.700 1.872 1.00 0.00 C ATOM 204 OD1 ASN A 12 -0.120 23.500 2.536 1.00 0.00 O ATOM 205 ND2 ASN A 12 0.429 22.599 0.553 1.00 0.00 N ATOM 0 H ASN A 12 -0.691 20.366 1.619 1.00 0.00 H new ATOM 0 HA ASN A 12 1.669 19.761 3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.976 22.268 3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.344 21.547 1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.224 23.199 0.049 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.996 21.921 0.044 1.00 0.00 H new ATOM 212 N GLU A 13 -1.062 19.895 4.325 1.00 0.00 N ATOM 213 CA GLU A 13 -2.008 20.035 5.426 1.00 0.00 C ATOM 214 C GLU A 13 -2.922 18.817 5.515 1.00 0.00 C ATOM 215 O GLU A 13 -2.935 17.969 4.623 1.00 0.00 O ATOM 216 CB GLU A 13 -2.846 21.303 5.251 1.00 0.00 C ATOM 217 CG GLU A 13 -3.691 21.304 3.988 1.00 0.00 C ATOM 218 CD GLU A 13 -4.367 22.638 3.739 1.00 0.00 C ATOM 219 OE1 GLU A 13 -5.307 22.977 4.488 1.00 0.00 O ATOM 220 OE2 GLU A 13 -3.953 23.344 2.794 1.00 0.00 O ATOM 0 H GLU A 13 -1.269 19.128 3.686 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.439 20.110 6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.500 21.419 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.183 22.168 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.061 21.055 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.450 20.525 4.062 1.00 0.00 H new ATOM 227 N PHE A 14 -3.687 18.736 6.600 1.00 0.00 N ATOM 228 CA PHE A 14 -4.604 17.622 6.808 1.00 0.00 C ATOM 229 C PHE A 14 -6.043 18.115 6.923 1.00 0.00 C ATOM 230 O PHE A 14 -6.469 18.578 7.982 1.00 0.00 O ATOM 231 CB PHE A 14 -4.217 16.844 8.068 1.00 0.00 C ATOM 232 CG PHE A 14 -2.997 15.987 7.893 1.00 0.00 C ATOM 233 CD1 PHE A 14 -3.006 14.916 7.013 1.00 0.00 C ATOM 234 CD2 PHE A 14 -1.839 16.253 8.605 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.884 14.125 6.849 1.00 0.00 C ATOM 236 CE2 PHE A 14 -0.714 15.466 8.446 1.00 0.00 C ATOM 237 CZ PHE A 14 -0.737 14.400 7.567 1.00 0.00 C ATOM 0 H PHE A 14 -3.689 19.429 7.348 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.534 16.961 5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.042 17.549 8.881 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.054 16.213 8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.900 14.697 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.815 17.085 9.293 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.905 13.293 6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.182 15.684 9.008 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.141 13.783 7.442 1.00 0.00 H new ATOM 247 N ASP A 15 -6.786 18.015 5.826 1.00 0.00 N ATOM 248 CA ASP A 15 -8.178 18.450 5.803 1.00 0.00 C ATOM 249 C ASP A 15 -9.038 17.569 6.703 1.00 0.00 C ATOM 250 O ASP A 15 -9.942 18.053 7.384 1.00 0.00 O ATOM 251 CB ASP A 15 -8.719 18.424 4.374 1.00 0.00 C ATOM 252 CG ASP A 15 -8.034 19.436 3.476 1.00 0.00 C ATOM 253 OD1 ASP A 15 -6.824 19.271 3.213 1.00 0.00 O ATOM 254 OD2 ASP A 15 -8.706 20.392 3.037 1.00 0.00 O ATOM 0 H ASP A 15 -6.448 17.637 4.941 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.220 19.472 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.588 17.425 3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.790 18.624 4.391 1.00 0.00 H new ATOM 259 N HIS A 16 -8.752 16.270 6.698 1.00 0.00 N ATOM 260 CA HIS A 16 -9.500 15.320 7.513 1.00 0.00 C ATOM 261 C HIS A 16 -10.979 15.329 7.138 1.00 0.00 C ATOM 262 O HIS A 16 -11.850 15.221 8.003 1.00 0.00 O ATOM 263 CB HIS A 16 -9.337 15.649 8.998 1.00 0.00 C ATOM 264 CG HIS A 16 -9.452 14.453 9.892 1.00 0.00 C ATOM 265 ND1 HIS A 16 -10.498 14.271 10.774 1.00 0.00 N ATOM 266 CD2 HIS A 16 -8.648 13.375 10.038 1.00 0.00 C ATOM 267 CE1 HIS A 16 -10.329 13.134 11.423 1.00 0.00 C ATOM 268 NE2 HIS A 16 -9.214 12.570 10.995 1.00 0.00 N ATOM 0 H HIS A 16 -8.008 15.852 6.139 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.101 14.324 7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.365 16.117 9.154 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.092 16.381 9.285 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -7.731 13.183 9.501 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.991 12.733 12.177 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.835 11.681 11.322 1.00 0.00 H new ATOM 276 N LEU A 17 -11.256 15.458 5.846 1.00 0.00 N ATOM 277 CA LEU A 17 -12.630 15.483 5.357 1.00 0.00 C ATOM 278 C LEU A 17 -13.081 14.088 4.933 1.00 0.00 C ATOM 279 O LEU A 17 -12.302 13.136 4.964 1.00 0.00 O ATOM 280 CB LEU A 17 -12.756 16.452 4.180 1.00 0.00 C ATOM 281 CG LEU A 17 -12.957 17.924 4.542 1.00 0.00 C ATOM 282 CD1 LEU A 17 -12.506 18.821 3.400 1.00 0.00 C ATOM 283 CD2 LEU A 17 -14.414 18.194 4.891 1.00 0.00 C ATOM 0 H LEU A 17 -10.548 15.547 5.118 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.273 15.823 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.858 16.368 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.594 16.133 3.561 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.347 18.149 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.657 19.865 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.449 18.648 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.089 18.594 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.538 19.246 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -15.044 17.951 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.705 17.578 5.742 1.00 0.00 H new ATOM 295 N LEU A 18 -14.343 13.977 4.532 1.00 0.00 N ATOM 296 CA LEU A 18 -14.898 12.699 4.098 1.00 0.00 C ATOM 297 C LEU A 18 -14.133 12.153 2.898 1.00 0.00 C ATOM 298 O LEU A 18 -13.343 11.216 3.027 1.00 0.00 O ATOM 299 CB LEU A 18 -16.378 12.858 3.746 1.00 0.00 C ATOM 300 CG LEU A 18 -17.316 13.171 4.911 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.745 13.340 4.417 1.00 0.00 C ATOM 302 CD2 LEU A 18 -17.241 12.077 5.966 1.00 0.00 C ATOM 0 H LEU A 18 -15.001 14.756 4.498 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.801 11.990 4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.471 13.654 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.718 11.939 3.269 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.997 14.109 5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.398 13.562 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.787 14.160 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.075 12.419 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.916 12.317 6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.533 11.124 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.221 12.005 6.343 1.00 0.00 H new ATOM 314 N ILE A 19 -14.371 12.744 1.732 1.00 0.00 N ATOM 315 CA ILE A 19 -13.701 12.317 0.510 1.00 0.00 C ATOM 316 C ILE A 19 -12.190 12.265 0.700 1.00 0.00 C ATOM 317 O ILE A 19 -11.530 11.328 0.253 1.00 0.00 O ATOM 318 CB ILE A 19 -14.027 13.257 -0.667 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.508 13.153 -1.036 1.00 0.00 C ATOM 320 CG2 ILE A 19 -13.151 12.925 -1.866 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.904 11.793 -1.566 1.00 0.00 C ATOM 0 H ILE A 19 -15.022 13.519 1.608 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.070 11.317 0.281 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.820 14.283 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.110 13.381 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.741 13.908 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.392 13.597 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.102 13.045 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.330 11.895 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.967 11.792 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.328 11.571 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.703 11.035 -0.809 1.00 0.00 H new ATOM 333 N GLU A 20 -11.648 13.279 1.369 1.00 0.00 N ATOM 334 CA GLU A 20 -10.213 13.347 1.620 1.00 0.00 C ATOM 335 C GLU A 20 -9.713 12.062 2.277 1.00 0.00 C ATOM 336 O GLU A 20 -8.790 11.419 1.779 1.00 0.00 O ATOM 337 CB GLU A 20 -9.884 14.548 2.509 1.00 0.00 C ATOM 338 CG GLU A 20 -9.750 15.853 1.743 1.00 0.00 C ATOM 339 CD GLU A 20 -10.811 16.013 0.672 1.00 0.00 C ATOM 340 OE1 GLU A 20 -11.983 16.254 1.029 1.00 0.00 O ATOM 341 OE2 GLU A 20 -10.469 15.898 -0.523 1.00 0.00 O ATOM 0 H GLU A 20 -12.180 14.063 1.746 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.708 13.465 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.665 14.657 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.953 14.351 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.815 16.688 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.764 15.899 1.282 1.00 0.00 H new ATOM 348 N GLN A 21 -10.331 11.698 3.395 1.00 0.00 N ATOM 349 CA GLN A 21 -9.949 10.492 4.120 1.00 0.00 C ATOM 350 C GLN A 21 -10.123 9.254 3.248 1.00 0.00 C ATOM 351 O GLN A 21 -9.305 8.336 3.287 1.00 0.00 O ATOM 352 CB GLN A 21 -10.782 10.352 5.396 1.00 0.00 C ATOM 353 CG GLN A 21 -10.214 11.117 6.580 1.00 0.00 C ATOM 354 CD GLN A 21 -8.904 10.538 7.074 1.00 0.00 C ATOM 355 OE1 GLN A 21 -7.830 10.902 6.595 1.00 0.00 O ATOM 356 NE2 GLN A 21 -8.984 9.629 8.040 1.00 0.00 N ATOM 0 H GLN A 21 -11.098 12.220 3.819 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.896 10.580 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.795 10.703 5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.856 9.296 5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.062 12.158 6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.939 11.111 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.895 9.356 8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.135 9.205 8.413 1.00 0.00 H new ATOM 365 N ALA A 22 -11.193 9.236 2.460 1.00 0.00 N ATOM 366 CA ALA A 22 -11.474 8.112 1.577 1.00 0.00 C ATOM 367 C ALA A 22 -10.367 7.939 0.542 1.00 0.00 C ATOM 368 O ALA A 22 -9.895 6.827 0.303 1.00 0.00 O ATOM 369 CB ALA A 22 -12.817 8.303 0.888 1.00 0.00 C ATOM 0 H ALA A 22 -11.880 9.989 2.416 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.515 7.207 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.013 7.455 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.605 8.371 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.797 9.220 0.300 1.00 0.00 H new ATOM 375 N ASN A 23 -9.958 9.045 -0.072 1.00 0.00 N ATOM 376 CA ASN A 23 -8.908 9.014 -1.083 1.00 0.00 C ATOM 377 C ASN A 23 -7.586 8.549 -0.480 1.00 0.00 C ATOM 378 O ASN A 23 -6.856 7.763 -1.086 1.00 0.00 O ATOM 379 CB ASN A 23 -8.735 10.399 -1.712 1.00 0.00 C ATOM 380 CG ASN A 23 -9.453 10.523 -3.042 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.873 10.269 -4.098 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.720 10.915 -2.996 1.00 0.00 N ATOM 0 H ASN A 23 -10.338 9.973 0.113 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.204 8.305 -1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.113 11.157 -1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.673 10.600 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.254 11.017 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.160 11.115 -2.098 1.00 0.00 H new ATOM 389 N HIS A 24 -7.283 9.040 0.718 1.00 0.00 N ATOM 390 CA HIS A 24 -6.048 8.673 1.404 1.00 0.00 C ATOM 391 C HIS A 24 -6.038 7.186 1.748 1.00 0.00 C ATOM 392 O HIS A 24 -5.010 6.521 1.633 1.00 0.00 O ATOM 393 CB HIS A 24 -5.882 9.503 2.677 1.00 0.00 C ATOM 394 CG HIS A 24 -4.481 9.518 3.204 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.501 10.355 2.712 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.896 8.794 4.186 1.00 0.00 C ATOM 397 CE1 HIS A 24 -2.374 10.143 3.369 1.00 0.00 C ATOM 398 NE2 HIS A 24 -2.587 9.201 4.269 1.00 0.00 N ATOM 0 H HIS A 24 -7.874 9.692 1.233 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.214 8.878 0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.197 10.527 2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.547 9.110 3.446 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.370 8.036 4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.438 10.654 3.199 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.892 8.835 4.920 1.00 0.00 H new ATOM 406 N ALA A 25 -7.189 6.673 2.169 1.00 0.00 N ATOM 407 CA ALA A 25 -7.313 5.266 2.527 1.00 0.00 C ATOM 408 C ALA A 25 -7.112 4.370 1.311 1.00 0.00 C ATOM 409 O ALA A 25 -6.318 3.429 1.346 1.00 0.00 O ATOM 410 CB ALA A 25 -8.670 5.000 3.163 1.00 0.00 C ATOM 0 H ALA A 25 -8.049 7.211 2.271 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.533 5.031 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.748 3.945 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.775 5.606 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.459 5.258 2.457 1.00 0.00 H new ATOM 416 N ILE A 26 -7.835 4.667 0.236 1.00 0.00 N ATOM 417 CA ILE A 26 -7.734 3.887 -0.991 1.00 0.00 C ATOM 418 C ILE A 26 -6.341 3.998 -1.600 1.00 0.00 C ATOM 419 O ILE A 26 -5.851 3.060 -2.227 1.00 0.00 O ATOM 420 CB ILE A 26 -8.775 4.341 -2.032 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.531 5.798 -2.428 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.184 4.164 -1.485 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.496 6.310 -3.475 1.00 0.00 C ATOM 0 H ILE A 26 -8.497 5.442 0.190 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.928 2.849 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.671 3.720 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.606 6.425 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.513 5.898 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.908 4.489 -2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.353 3.113 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.301 4.762 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.263 7.349 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.406 5.708 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.515 6.242 -3.094 1.00 0.00 H new ATOM 435 N GLU A 27 -5.707 5.151 -1.408 1.00 0.00 N ATOM 436 CA GLU A 27 -4.368 5.384 -1.938 1.00 0.00 C ATOM 437 C GLU A 27 -3.345 4.492 -1.240 1.00 0.00 C ATOM 438 O GLU A 27 -2.656 3.698 -1.882 1.00 0.00 O ATOM 439 CB GLU A 27 -3.978 6.854 -1.772 1.00 0.00 C ATOM 440 CG GLU A 27 -2.684 7.224 -2.477 1.00 0.00 C ATOM 441 CD GLU A 27 -2.651 8.676 -2.912 1.00 0.00 C ATOM 442 OE1 GLU A 27 -2.303 9.537 -2.076 1.00 0.00 O ATOM 443 OE2 GLU A 27 -2.973 8.952 -4.086 1.00 0.00 O ATOM 0 H GLU A 27 -6.099 5.938 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.376 5.136 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.783 7.480 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.880 7.077 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.843 7.029 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.554 6.584 -3.350 1.00 0.00 H new ATOM 450 N LYS A 28 -3.249 4.631 0.078 1.00 0.00 N ATOM 451 CA LYS A 28 -2.311 3.838 0.864 1.00 0.00 C ATOM 452 C LYS A 28 -2.560 2.347 0.668 1.00 0.00 C ATOM 453 O LYS A 28 -1.624 1.570 0.485 1.00 0.00 O ATOM 454 CB LYS A 28 -2.430 4.196 2.347 1.00 0.00 C ATOM 455 CG LYS A 28 -1.438 3.458 3.231 1.00 0.00 C ATOM 456 CD LYS A 28 -1.726 3.690 4.705 1.00 0.00 C ATOM 457 CE LYS A 28 -0.696 3.004 5.589 1.00 0.00 C ATOM 458 NZ LYS A 28 -0.763 1.521 5.472 1.00 0.00 N ATOM 0 H LYS A 28 -3.809 5.285 0.624 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.302 4.067 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.282 5.269 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.442 3.974 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.480 2.391 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.426 3.790 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.730 4.760 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.721 3.315 4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.302 3.345 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.858 3.294 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.156 1.088 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.745 1.206 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.435 1.232 4.528 1.00 0.00 H new ATOM 472 N GLY A 29 -3.830 1.953 0.706 1.00 0.00 N ATOM 473 CA GLY A 29 -4.179 0.555 0.530 1.00 0.00 C ATOM 474 C GLY A 29 -3.858 0.049 -0.862 1.00 0.00 C ATOM 475 O GLY A 29 -3.433 -1.094 -1.031 1.00 0.00 O ATOM 0 H GLY A 29 -4.623 2.577 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.642 -0.046 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.243 0.422 0.725 1.00 0.00 H new ATOM 479 N GLU A 30 -4.062 0.900 -1.863 1.00 0.00 N ATOM 480 CA GLU A 30 -3.792 0.531 -3.247 1.00 0.00 C ATOM 481 C GLU A 30 -2.299 0.308 -3.470 1.00 0.00 C ATOM 482 O GLU A 30 -1.898 -0.597 -4.203 1.00 0.00 O ATOM 483 CB GLU A 30 -4.305 1.616 -4.197 1.00 0.00 C ATOM 484 CG GLU A 30 -4.067 1.302 -5.664 1.00 0.00 C ATOM 485 CD GLU A 30 -4.539 2.412 -6.583 1.00 0.00 C ATOM 486 OE1 GLU A 30 -5.720 2.386 -6.987 1.00 0.00 O ATOM 487 OE2 GLU A 30 -3.728 3.308 -6.897 1.00 0.00 O ATOM 0 H GLU A 30 -4.413 1.850 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.316 -0.402 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.373 1.756 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.819 2.561 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.003 1.129 -5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.584 0.378 -5.922 1.00 0.00 H new ATOM 494 N HIS A 31 -1.481 1.140 -2.834 1.00 0.00 N ATOM 495 CA HIS A 31 -0.032 1.034 -2.962 1.00 0.00 C ATOM 496 C HIS A 31 0.487 -0.214 -2.255 1.00 0.00 C ATOM 497 O HIS A 31 1.187 -1.031 -2.853 1.00 0.00 O ATOM 498 CB HIS A 31 0.644 2.279 -2.386 1.00 0.00 C ATOM 499 CG HIS A 31 2.112 2.352 -2.675 1.00 0.00 C ATOM 500 ND1 HIS A 31 3.074 1.873 -1.811 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.780 2.849 -3.742 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.271 2.074 -2.333 1.00 0.00 C ATOM 503 NE2 HIS A 31 4.121 2.665 -3.505 1.00 0.00 N ATOM 0 H HIS A 31 -1.797 1.895 -2.225 1.00 0.00 H new ATOM 0 HA HIS A 31 0.209 0.956 -4.022 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.158 3.166 -2.791 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.493 2.298 -1.307 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.341 3.305 -4.617 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.212 1.801 -1.879 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.877 2.940 -4.132 1.00 0.00 H new ATOM 511 N GLN A 32 0.140 -0.353 -0.979 1.00 0.00 N ATOM 512 CA GLN A 32 0.572 -1.501 -0.192 1.00 0.00 C ATOM 513 C GLN A 32 0.055 -2.803 -0.796 1.00 0.00 C ATOM 514 O GLN A 32 0.707 -3.844 -0.705 1.00 0.00 O ATOM 515 CB GLN A 32 0.085 -1.368 1.253 1.00 0.00 C ATOM 516 CG GLN A 32 -1.348 -1.831 1.457 1.00 0.00 C ATOM 517 CD GLN A 32 -1.446 -3.318 1.737 1.00 0.00 C ATOM 518 OE1 GLN A 32 -0.700 -3.859 2.552 1.00 0.00 O ATOM 519 NE2 GLN A 32 -2.371 -3.988 1.059 1.00 0.00 N ATOM 0 H GLN A 32 -0.438 0.315 -0.469 1.00 0.00 H new ATOM 0 HA GLN A 32 1.662 -1.525 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.741 -1.947 1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.169 -0.326 1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.790 -1.279 2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.933 -1.593 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.969 -3.499 0.392 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.484 -4.991 1.205 1.00 0.00 H new ATOM 528 N LEU A 33 -1.119 -2.737 -1.414 1.00 0.00 N ATOM 529 CA LEU A 33 -1.724 -3.910 -2.034 1.00 0.00 C ATOM 530 C LEU A 33 -0.978 -4.300 -3.306 1.00 0.00 C ATOM 531 O LEU A 33 -0.620 -5.464 -3.496 1.00 0.00 O ATOM 532 CB LEU A 33 -3.195 -3.640 -2.356 1.00 0.00 C ATOM 533 CG LEU A 33 -3.951 -4.777 -3.044 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.747 -4.720 -4.550 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.505 -6.124 -2.494 1.00 0.00 C ATOM 0 H LEU A 33 -1.671 -1.883 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.658 -4.737 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.711 -3.397 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.251 -2.756 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.015 -4.657 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.293 -5.537 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.117 -3.768 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.685 -4.814 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.054 -6.921 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.437 -6.253 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.705 -6.164 -1.423 1.00 0.00 H new ATOM 547 N LEU A 34 -0.742 -3.321 -4.171 1.00 0.00 N ATOM 548 CA LEU A 34 -0.035 -3.560 -5.425 1.00 0.00 C ATOM 549 C LEU A 34 1.347 -4.152 -5.165 1.00 0.00 C ATOM 550 O LEU A 34 1.800 -5.038 -5.890 1.00 0.00 O ATOM 551 CB LEU A 34 0.095 -2.258 -6.217 1.00 0.00 C ATOM 552 CG LEU A 34 -1.148 -1.812 -6.985 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.934 -0.438 -7.599 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.504 -2.829 -8.060 1.00 0.00 C ATOM 0 H LEU A 34 -1.030 -2.353 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.613 -4.276 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.375 -1.463 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.915 -2.368 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.980 -1.747 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.831 -0.138 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.729 0.285 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.089 -0.474 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.392 -2.495 -8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.673 -2.926 -8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.703 -3.795 -7.596 1.00 0.00 H new ATOM 566 N TYR A 35 2.011 -3.658 -4.126 1.00 0.00 N ATOM 567 CA TYR A 35 3.341 -4.138 -3.771 1.00 0.00 C ATOM 568 C TYR A 35 3.274 -5.540 -3.175 1.00 0.00 C ATOM 569 O TYR A 35 4.071 -6.413 -3.518 1.00 0.00 O ATOM 570 CB TYR A 35 4.003 -3.180 -2.778 1.00 0.00 C ATOM 571 CG TYR A 35 5.188 -3.781 -2.055 1.00 0.00 C ATOM 572 CD1 TYR A 35 6.395 -3.987 -2.711 1.00 0.00 C ATOM 573 CD2 TYR A 35 5.099 -4.143 -0.717 1.00 0.00 C ATOM 574 CE1 TYR A 35 7.479 -4.536 -2.056 1.00 0.00 C ATOM 575 CE2 TYR A 35 6.179 -4.692 -0.053 1.00 0.00 C ATOM 576 CZ TYR A 35 7.367 -4.887 -0.727 1.00 0.00 C ATOM 577 OH TYR A 35 8.444 -5.434 -0.069 1.00 0.00 O ATOM 0 H TYR A 35 1.650 -2.925 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 35 3.940 -4.179 -4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.328 -2.286 -3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.263 -2.863 -2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.487 -3.713 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.170 -3.993 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.410 -4.690 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.094 -4.967 0.988 1.00 0.00 H new ATOM 0 HH TYR A 35 8.198 -5.623 0.861 1.00 0.00 H new ATOM 587 N LEU A 36 2.315 -5.749 -2.279 1.00 0.00 N ATOM 588 CA LEU A 36 2.141 -7.046 -1.634 1.00 0.00 C ATOM 589 C LEU A 36 1.800 -8.123 -2.659 1.00 0.00 C ATOM 590 O LEU A 36 2.141 -9.292 -2.480 1.00 0.00 O ATOM 591 CB LEU A 36 1.040 -6.967 -0.575 1.00 0.00 C ATOM 592 CG LEU A 36 1.509 -6.844 0.875 1.00 0.00 C ATOM 593 CD1 LEU A 36 2.411 -8.011 1.244 1.00 0.00 C ATOM 594 CD2 LEU A 36 2.230 -5.521 1.091 1.00 0.00 C ATOM 0 H LEU A 36 1.647 -5.038 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 36 3.082 -7.314 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.405 -6.111 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.418 -7.858 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 36 0.634 -6.868 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.735 -7.907 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.863 -8.946 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.283 -8.018 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.557 -5.450 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.097 -5.467 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.553 -4.697 0.867 1.00 0.00 H new ATOM 606 N GLN A 37 1.129 -7.719 -3.733 1.00 0.00 N ATOM 607 CA GLN A 37 0.745 -8.650 -4.787 1.00 0.00 C ATOM 608 C GLN A 37 1.946 -9.463 -5.261 1.00 0.00 C ATOM 609 O GLN A 37 1.837 -10.664 -5.508 1.00 0.00 O ATOM 610 CB GLN A 37 0.130 -7.894 -5.965 1.00 0.00 C ATOM 611 CG GLN A 37 -0.881 -8.712 -6.752 1.00 0.00 C ATOM 612 CD GLN A 37 -1.857 -7.847 -7.526 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.759 -7.718 -8.746 1.00 0.00 O ATOM 614 NE2 GLN A 37 -2.807 -7.248 -6.816 1.00 0.00 N ATOM 0 H GLN A 37 0.840 -6.754 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 37 0.004 -9.336 -4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.356 -6.992 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.927 -7.574 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.352 -9.366 -7.445 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.435 -9.354 -6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.851 -7.383 -5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.493 -6.653 -7.281 1.00 0.00 H new ATOM 623 N HIS A 38 3.091 -8.799 -5.385 1.00 0.00 N ATOM 624 CA HIS A 38 4.313 -9.461 -5.829 1.00 0.00 C ATOM 625 C HIS A 38 4.699 -10.587 -4.874 1.00 0.00 C ATOM 626 O HIS A 38 4.889 -11.728 -5.292 1.00 0.00 O ATOM 627 CB HIS A 38 5.456 -8.450 -5.932 1.00 0.00 C ATOM 628 CG HIS A 38 6.453 -8.780 -7.000 1.00 0.00 C ATOM 629 ND1 HIS A 38 6.268 -8.459 -8.328 1.00 0.00 N ATOM 630 CD2 HIS A 38 7.651 -9.407 -6.930 1.00 0.00 C ATOM 631 CE1 HIS A 38 7.308 -8.874 -9.028 1.00 0.00 C ATOM 632 NE2 HIS A 38 8.162 -9.452 -8.204 1.00 0.00 N ATOM 0 H HIS A 38 3.198 -7.805 -5.185 1.00 0.00 H new ATOM 0 HA HIS A 38 4.127 -9.891 -6.813 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.040 -7.462 -6.128 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.969 -8.395 -4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.118 -9.799 -6.038 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.438 -8.760 -10.094 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.056 -9.865 -8.470 1.00 0.00 H new ATOM 640 N GLN A 39 4.815 -10.256 -3.591 1.00 0.00 N ATOM 641 CA GLN A 39 5.180 -11.239 -2.579 1.00 0.00 C ATOM 642 C GLN A 39 4.236 -12.437 -2.619 1.00 0.00 C ATOM 643 O GLN A 39 4.666 -13.584 -2.490 1.00 0.00 O ATOM 644 CB GLN A 39 5.157 -10.603 -1.188 1.00 0.00 C ATOM 645 CG GLN A 39 6.067 -9.393 -1.059 1.00 0.00 C ATOM 646 CD GLN A 39 7.486 -9.767 -0.679 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.974 -10.839 -1.037 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.156 -8.882 0.051 1.00 0.00 N ATOM 0 H GLN A 39 4.661 -9.315 -3.229 1.00 0.00 H new ATOM 0 HA GLN A 39 6.190 -11.588 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.136 -10.306 -0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.452 -11.350 -0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.079 -8.850 -2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.660 -8.716 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.711 -8.006 0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.115 -9.079 0.337 1.00 0.00 H new ATOM 657 N LEU A 40 2.949 -12.164 -2.799 1.00 0.00 N ATOM 658 CA LEU A 40 1.943 -13.219 -2.855 1.00 0.00 C ATOM 659 C LEU A 40 2.205 -14.159 -4.028 1.00 0.00 C ATOM 660 O LEU A 40 2.272 -15.375 -3.858 1.00 0.00 O ATOM 661 CB LEU A 40 0.544 -12.612 -2.976 1.00 0.00 C ATOM 662 CG LEU A 40 -0.567 -13.567 -3.414 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.804 -14.633 -2.356 1.00 0.00 C ATOM 664 CD2 LEU A 40 -1.850 -12.799 -3.697 1.00 0.00 C ATOM 0 H LEU A 40 2.577 -11.221 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 40 2.004 -13.794 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.270 -12.186 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.588 -11.787 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.253 -14.061 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.598 -15.303 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.112 -15.204 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.096 -14.158 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.630 -13.495 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.168 -12.277 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.673 -12.075 -4.492 1.00 0.00 H new ATOM 676 N ASP A 41 2.353 -13.585 -5.216 1.00 0.00 N ATOM 677 CA ASP A 41 2.611 -14.370 -6.418 1.00 0.00 C ATOM 678 C ASP A 41 3.824 -15.276 -6.225 1.00 0.00 C ATOM 679 O ASP A 41 3.794 -16.452 -6.585 1.00 0.00 O ATOM 680 CB ASP A 41 2.834 -13.448 -7.618 1.00 0.00 C ATOM 681 CG ASP A 41 2.767 -14.190 -8.938 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.957 -15.134 -9.047 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.524 -13.827 -9.863 1.00 0.00 O ATOM 0 H ASP A 41 2.299 -12.579 -5.373 1.00 0.00 H new ATOM 0 HA ASP A 41 1.739 -14.995 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.083 -12.658 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.806 -12.964 -7.525 1.00 0.00 H new ATOM 688 N GLU A 42 4.888 -14.719 -5.655 1.00 0.00 N ATOM 689 CA GLU A 42 6.110 -15.478 -5.417 1.00 0.00 C ATOM 690 C GLU A 42 5.911 -16.491 -4.293 1.00 0.00 C ATOM 691 O GLU A 42 6.543 -17.548 -4.276 1.00 0.00 O ATOM 692 CB GLU A 42 7.263 -14.534 -5.068 1.00 0.00 C ATOM 693 CG GLU A 42 8.501 -15.248 -4.554 1.00 0.00 C ATOM 694 CD GLU A 42 9.111 -16.175 -5.586 1.00 0.00 C ATOM 695 OE1 GLU A 42 8.418 -17.120 -6.020 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.282 -15.955 -5.962 1.00 0.00 O ATOM 0 H GLU A 42 4.928 -13.747 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 42 6.355 -16.018 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.529 -13.956 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.924 -13.824 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.243 -14.509 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.242 -15.822 -3.664 1.00 0.00 H new ATOM 703 N LEU A 43 5.029 -16.161 -3.357 1.00 0.00 N ATOM 704 CA LEU A 43 4.745 -17.042 -2.229 1.00 0.00 C ATOM 705 C LEU A 43 3.979 -18.280 -2.683 1.00 0.00 C ATOM 706 O LEU A 43 4.134 -19.361 -2.115 1.00 0.00 O ATOM 707 CB LEU A 43 3.943 -16.294 -1.162 1.00 0.00 C ATOM 708 CG LEU A 43 3.104 -17.162 -0.222 1.00 0.00 C ATOM 709 CD1 LEU A 43 3.028 -16.532 1.160 1.00 0.00 C ATOM 710 CD2 LEU A 43 1.708 -17.371 -0.793 1.00 0.00 C ATOM 0 H LEU A 43 4.498 -15.290 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 43 5.695 -17.363 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.636 -15.707 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.279 -15.589 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 43 3.586 -18.135 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.427 -17.163 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.033 -16.435 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.569 -15.546 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.125 -17.991 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.217 -16.406 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.781 -17.867 -1.761 1.00 0.00 H new ATOM 722 N ASN A 44 3.154 -18.115 -3.712 1.00 0.00 N ATOM 723 CA ASN A 44 2.366 -19.220 -4.244 1.00 0.00 C ATOM 724 C ASN A 44 3.265 -20.378 -4.665 1.00 0.00 C ATOM 725 O ASN A 44 2.957 -21.541 -4.407 1.00 0.00 O ATOM 726 CB ASN A 44 1.530 -18.750 -5.437 1.00 0.00 C ATOM 727 CG ASN A 44 0.423 -17.796 -5.028 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.213 -17.545 -3.841 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.290 -17.261 -6.011 1.00 0.00 N ATOM 0 H ASN A 44 3.014 -17.227 -4.194 1.00 0.00 H new ATOM 0 HA ASN A 44 1.699 -19.569 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.180 -18.259 -6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.094 -19.616 -5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.048 -16.613 -5.797 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.080 -17.498 -6.981 1.00 0.00 H new ATOM 736 N GLU A 45 4.379 -20.050 -5.311 1.00 0.00 N ATOM 737 CA GLU A 45 5.323 -21.063 -5.767 1.00 0.00 C ATOM 738 C GLU A 45 6.378 -21.344 -4.701 1.00 0.00 C ATOM 739 O GLU A 45 6.670 -22.497 -4.389 1.00 0.00 O ATOM 740 CB GLU A 45 6.001 -20.614 -7.064 1.00 0.00 C ATOM 741 CG GLU A 45 6.724 -21.734 -7.792 1.00 0.00 C ATOM 742 CD GLU A 45 7.781 -21.220 -8.751 1.00 0.00 C ATOM 743 OE1 GLU A 45 7.525 -20.199 -9.423 1.00 0.00 O ATOM 744 OE2 GLU A 45 8.863 -21.838 -8.830 1.00 0.00 O ATOM 0 H GLU A 45 4.650 -19.091 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 45 4.767 -21.982 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.250 -20.186 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.713 -19.821 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.192 -22.394 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.998 -22.332 -8.343 1.00 0.00 H new ATOM 751 N ASN A 46 6.947 -20.278 -4.146 1.00 0.00 N ATOM 752 CA ASN A 46 7.970 -20.408 -3.115 1.00 0.00 C ATOM 753 C ASN A 46 7.462 -21.248 -1.947 1.00 0.00 C ATOM 754 O ASN A 46 8.209 -22.028 -1.356 1.00 0.00 O ATOM 755 CB ASN A 46 8.399 -19.027 -2.615 1.00 0.00 C ATOM 756 CG ASN A 46 9.691 -19.075 -1.821 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.330 -20.122 -1.716 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.081 -17.938 -1.257 1.00 0.00 N ATOM 0 H ASN A 46 6.717 -19.316 -4.393 1.00 0.00 H new ATOM 0 HA ASN A 46 8.831 -20.912 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.524 -18.358 -3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.609 -18.607 -1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.942 -17.909 -0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.520 -17.094 -1.370 1.00 0.00 H new ATOM 765 N LYS A 47 6.186 -21.083 -1.619 1.00 0.00 N ATOM 766 CA LYS A 47 5.574 -21.827 -0.523 1.00 0.00 C ATOM 767 C LYS A 47 6.444 -21.764 0.728 1.00 0.00 C ATOM 768 O LYS A 47 6.502 -22.717 1.504 1.00 0.00 O ATOM 769 CB LYS A 47 5.353 -23.285 -0.930 1.00 0.00 C ATOM 770 CG LYS A 47 4.096 -23.898 -0.338 1.00 0.00 C ATOM 771 CD LYS A 47 2.875 -23.602 -1.194 1.00 0.00 C ATOM 772 CE LYS A 47 2.925 -24.355 -2.515 1.00 0.00 C ATOM 773 NZ LYS A 47 3.086 -25.821 -2.312 1.00 0.00 N ATOM 0 H LYS A 47 5.554 -20.440 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 47 4.611 -21.369 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.300 -23.346 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.216 -23.875 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.224 -24.977 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.939 -23.509 0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.972 -23.879 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.815 -22.531 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.010 -24.164 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.752 -23.979 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.517 -26.333 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.088 -26.079 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.766 -26.076 -1.356 1.00 0.00 H new ATOM 787 N SER A 48 7.116 -20.633 0.920 1.00 0.00 N ATOM 788 CA SER A 48 7.984 -20.447 2.076 1.00 0.00 C ATOM 789 C SER A 48 7.163 -20.201 3.339 1.00 0.00 C ATOM 790 O SER A 48 6.335 -19.291 3.388 1.00 0.00 O ATOM 791 CB SER A 48 8.940 -19.275 1.840 1.00 0.00 C ATOM 792 OG SER A 48 10.272 -19.629 2.168 1.00 0.00 O ATOM 0 H SER A 48 7.076 -19.832 0.290 1.00 0.00 H new ATOM 0 HA SER A 48 8.565 -21.359 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.889 -18.965 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.629 -18.421 2.442 1.00 0.00 H new ATOM 0 HG SER A 48 10.863 -18.864 2.007 1.00 0.00 H new ATOM 798 N LYS A 49 7.397 -21.020 4.358 1.00 0.00 N ATOM 799 CA LYS A 49 6.682 -20.894 5.622 1.00 0.00 C ATOM 800 C LYS A 49 6.896 -19.513 6.233 1.00 0.00 C ATOM 801 O LYS A 49 5.969 -18.917 6.780 1.00 0.00 O ATOM 802 CB LYS A 49 7.143 -21.974 6.603 1.00 0.00 C ATOM 803 CG LYS A 49 8.653 -22.124 6.678 1.00 0.00 C ATOM 804 CD LYS A 49 9.101 -23.496 6.205 1.00 0.00 C ATOM 805 CE LYS A 49 10.572 -23.497 5.814 1.00 0.00 C ATOM 806 NZ LYS A 49 10.919 -24.673 4.968 1.00 0.00 N ATOM 0 H LYS A 49 8.077 -21.779 4.333 1.00 0.00 H new ATOM 0 HA LYS A 49 5.618 -21.023 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.760 -21.738 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.706 -22.929 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.127 -21.355 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.985 -21.966 7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.933 -24.228 6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.496 -23.804 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.805 -22.579 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.187 -23.502 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.929 -24.638 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.720 -25.549 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.350 -24.654 4.098 1.00 0.00 H new ATOM 820 N GLU A 50 8.123 -19.011 6.134 1.00 0.00 N ATOM 821 CA GLU A 50 8.457 -17.699 6.678 1.00 0.00 C ATOM 822 C GLU A 50 7.766 -16.592 5.888 1.00 0.00 C ATOM 823 O GLU A 50 7.186 -15.671 6.465 1.00 0.00 O ATOM 824 CB GLU A 50 9.972 -17.486 6.658 1.00 0.00 C ATOM 825 CG GLU A 50 10.595 -17.672 5.285 1.00 0.00 C ATOM 826 CD GLU A 50 12.111 -17.641 5.324 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.669 -17.166 6.335 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.740 -18.090 4.342 1.00 0.00 O ATOM 0 H GLU A 50 8.901 -19.492 5.683 1.00 0.00 H new ATOM 0 HA GLU A 50 8.105 -17.660 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.194 -16.480 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.437 -18.182 7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.265 -18.623 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.236 -16.888 4.618 1.00 0.00 H new ATOM 835 N LEU A 51 7.832 -16.687 4.565 1.00 0.00 N ATOM 836 CA LEU A 51 7.213 -15.693 3.694 1.00 0.00 C ATOM 837 C LEU A 51 5.714 -15.599 3.956 1.00 0.00 C ATOM 838 O LEU A 51 5.137 -14.512 3.929 1.00 0.00 O ATOM 839 CB LEU A 51 7.466 -16.044 2.227 1.00 0.00 C ATOM 840 CG LEU A 51 7.230 -14.919 1.218 1.00 0.00 C ATOM 841 CD1 LEU A 51 8.048 -13.691 1.586 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.570 -15.386 -0.190 1.00 0.00 C ATOM 0 H LEU A 51 8.308 -17.442 4.071 1.00 0.00 H new ATOM 0 HA LEU A 51 7.662 -14.724 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.497 -16.384 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.826 -16.885 1.960 1.00 0.00 H new ATOM 0 HG LEU A 51 6.175 -14.648 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.867 -12.901 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.757 -13.343 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.108 -13.947 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.396 -14.573 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.618 -15.684 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.940 -16.236 -0.454 1.00 0.00 H new ATOM 854 N GLN A 52 5.089 -16.744 4.209 1.00 0.00 N ATOM 855 CA GLN A 52 3.656 -16.790 4.477 1.00 0.00 C ATOM 856 C GLN A 52 3.336 -16.165 5.830 1.00 0.00 C ATOM 857 O GLN A 52 2.496 -15.271 5.927 1.00 0.00 O ATOM 858 CB GLN A 52 3.155 -18.234 4.436 1.00 0.00 C ATOM 859 CG GLN A 52 1.641 -18.350 4.336 1.00 0.00 C ATOM 860 CD GLN A 52 1.093 -19.526 5.121 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.594 -19.857 6.197 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.058 -20.163 4.587 1.00 0.00 N ATOM 0 H GLN A 52 5.552 -17.652 4.234 1.00 0.00 H new ATOM 0 HA GLN A 52 3.147 -16.215 3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.607 -18.743 3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.492 -18.753 5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.185 -17.430 4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.357 -18.453 3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.325 -19.854 3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.354 -20.961 5.070 1.00 0.00 H new ATOM 871 N GLU A 53 4.009 -16.642 6.872 1.00 0.00 N ATOM 872 CA GLU A 53 3.794 -16.131 8.220 1.00 0.00 C ATOM 873 C GLU A 53 3.920 -14.610 8.251 1.00 0.00 C ATOM 874 O GLU A 53 3.170 -13.927 8.949 1.00 0.00 O ATOM 875 CB GLU A 53 4.795 -16.757 9.193 1.00 0.00 C ATOM 876 CG GLU A 53 4.593 -18.249 9.398 1.00 0.00 C ATOM 877 CD GLU A 53 3.616 -18.556 10.517 1.00 0.00 C ATOM 878 OE1 GLU A 53 3.995 -18.406 11.696 1.00 0.00 O ATOM 879 OE2 GLU A 53 2.470 -18.948 10.211 1.00 0.00 O ATOM 0 H GLU A 53 4.708 -17.382 6.808 1.00 0.00 H new ATOM 0 HA GLU A 53 2.784 -16.401 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.806 -16.583 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.717 -16.253 10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.230 -18.694 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.553 -18.715 9.621 1.00 0.00 H new ATOM 886 N LYS A 54 4.875 -14.086 7.491 1.00 0.00 N ATOM 887 CA LYS A 54 5.101 -12.647 7.429 1.00 0.00 C ATOM 888 C LYS A 54 3.971 -11.950 6.679 1.00 0.00 C ATOM 889 O LYS A 54 3.364 -11.008 7.190 1.00 0.00 O ATOM 890 CB LYS A 54 6.440 -12.349 6.749 1.00 0.00 C ATOM 891 CG LYS A 54 7.633 -12.966 7.457 1.00 0.00 C ATOM 892 CD LYS A 54 8.184 -12.041 8.530 1.00 0.00 C ATOM 893 CE LYS A 54 7.630 -12.389 9.904 1.00 0.00 C ATOM 894 NZ LYS A 54 7.601 -11.205 10.806 1.00 0.00 N ATOM 0 H LYS A 54 5.506 -14.637 6.909 1.00 0.00 H new ATOM 0 HA LYS A 54 5.126 -12.264 8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.407 -12.717 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.578 -11.269 6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.339 -13.914 7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.414 -13.187 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.272 -12.109 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.933 -11.009 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.622 -12.790 9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.239 -13.173 10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.217 -11.483 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.566 -10.837 10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.999 -10.466 10.390 1.00 0.00 H new ATOM 908 N ILE A 55 3.694 -12.419 5.468 1.00 0.00 N ATOM 909 CA ILE A 55 2.635 -11.842 4.649 1.00 0.00 C ATOM 910 C ILE A 55 1.300 -11.860 5.387 1.00 0.00 C ATOM 911 O ILE A 55 0.508 -10.924 5.278 1.00 0.00 O ATOM 912 CB ILE A 55 2.481 -12.595 3.314 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.731 -12.406 2.451 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.242 -12.114 2.575 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.882 -13.452 1.370 1.00 0.00 C ATOM 0 H ILE A 55 4.188 -13.197 5.032 1.00 0.00 H new ATOM 0 HA ILE A 55 2.921 -10.811 4.443 1.00 0.00 H new ATOM 0 HB ILE A 55 2.364 -13.658 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.698 -11.419 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.612 -12.428 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.147 -12.655 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.359 -12.295 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.331 -11.047 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.789 -13.256 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.947 -14.440 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.019 -13.416 0.705 1.00 0.00 H new ATOM 927 N ILE A 56 1.059 -12.930 6.136 1.00 0.00 N ATOM 928 CA ILE A 56 -0.179 -13.068 6.894 1.00 0.00 C ATOM 929 C ILE A 56 -0.308 -11.968 7.942 1.00 0.00 C ATOM 930 O ILE A 56 -1.386 -11.406 8.137 1.00 0.00 O ATOM 931 CB ILE A 56 -0.263 -14.438 7.592 1.00 0.00 C ATOM 932 CG1 ILE A 56 -0.336 -15.560 6.553 1.00 0.00 C ATOM 933 CG2 ILE A 56 -1.467 -14.488 8.519 1.00 0.00 C ATOM 934 CD1 ILE A 56 0.219 -16.878 7.047 1.00 0.00 C ATOM 0 H ILE A 56 1.704 -13.714 6.235 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.997 -12.983 6.179 1.00 0.00 H new ATOM 0 HB ILE A 56 0.637 -14.580 8.191 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.375 -15.701 6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.213 -15.255 5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.512 -15.463 9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.376 -13.709 9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.378 -14.328 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.135 -17.626 6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.267 -16.753 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.345 -17.206 7.920 1.00 0.00 H new ATOM 946 N ARG A 57 0.799 -11.665 8.612 1.00 0.00 N ATOM 947 CA ARG A 57 0.809 -10.631 9.640 1.00 0.00 C ATOM 948 C ARG A 57 0.564 -9.255 9.031 1.00 0.00 C ATOM 949 O ARG A 57 -0.316 -8.517 9.473 1.00 0.00 O ATOM 950 CB ARG A 57 2.146 -10.638 10.387 1.00 0.00 C ATOM 951 CG ARG A 57 2.095 -11.369 11.718 1.00 0.00 C ATOM 952 CD ARG A 57 2.100 -12.878 11.524 1.00 0.00 C ATOM 953 NE ARG A 57 1.690 -13.586 12.734 1.00 0.00 N ATOM 954 CZ ARG A 57 1.861 -14.891 12.916 1.00 0.00 C ATOM 955 NH1 ARG A 57 2.432 -15.626 11.972 1.00 0.00 N ATOM 956 NH2 ARG A 57 1.462 -15.462 14.045 1.00 0.00 N ATOM 0 H ARG A 57 1.699 -12.120 8.462 1.00 0.00 H new ATOM 0 HA ARG A 57 0.005 -10.846 10.343 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.903 -11.103 9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.462 -9.609 10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.949 -11.076 12.328 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.198 -11.074 12.263 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.430 -13.141 10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.099 -13.203 11.235 1.00 0.00 H new ATOM 0 HE ARG A 57 1.248 -13.049 13.480 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.741 -15.190 11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.562 -16.628 12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.024 -14.899 14.774 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.594 -16.464 14.184 1.00 0.00 H new ATOM 970 N GLU A 58 1.347 -8.915 8.011 1.00 0.00 N ATOM 971 CA GLU A 58 1.214 -7.627 7.342 1.00 0.00 C ATOM 972 C GLU A 58 -0.157 -7.493 6.686 1.00 0.00 C ATOM 973 O GLU A 58 -0.874 -6.518 6.913 1.00 0.00 O ATOM 974 CB GLU A 58 2.313 -7.458 6.291 1.00 0.00 C ATOM 975 CG GLU A 58 3.444 -6.546 6.734 1.00 0.00 C ATOM 976 CD GLU A 58 4.285 -6.051 5.572 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.604 -6.865 4.681 1.00 0.00 O ATOM 978 OE2 GLU A 58 4.623 -4.849 5.555 1.00 0.00 O ATOM 0 H GLU A 58 2.080 -9.514 7.631 1.00 0.00 H new ATOM 0 HA GLU A 58 1.316 -6.844 8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.723 -8.438 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.872 -7.059 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.028 -5.691 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.082 -7.081 7.438 1.00 0.00 H new ATOM 985 N LEU A 59 -0.516 -8.480 5.872 1.00 0.00 N ATOM 986 CA LEU A 59 -1.801 -8.474 5.183 1.00 0.00 C ATOM 987 C LEU A 59 -2.951 -8.329 6.174 1.00 0.00 C ATOM 988 O LEU A 59 -3.877 -7.547 5.957 1.00 0.00 O ATOM 989 CB LEU A 59 -1.972 -9.759 4.370 1.00 0.00 C ATOM 990 CG LEU A 59 -3.072 -9.740 3.308 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.656 -10.555 2.093 1.00 0.00 C ATOM 992 CD2 LEU A 59 -4.379 -10.266 3.884 1.00 0.00 C ATOM 0 H LEU A 59 0.065 -9.294 5.673 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.819 -7.619 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.025 -9.984 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.175 -10.578 5.060 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.227 -8.708 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.451 -10.530 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.746 -10.133 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.472 -11.587 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.150 -10.245 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.238 -11.290 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.686 -9.640 4.722 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.883 -9.085 7.264 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.917 -9.039 8.292 1.00 0.00 C ATOM 1006 C ASP A 60 -4.028 -7.640 8.888 1.00 0.00 C ATOM 1007 O ASP A 60 -5.112 -7.055 8.930 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.615 -10.054 9.395 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.714 -10.120 10.438 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.704 -10.845 10.209 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.584 -9.448 11.482 1.00 0.00 O ATOM 0 H ASP A 60 -2.123 -9.737 7.459 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.869 -9.293 7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.480 -11.040 8.950 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.674 -9.791 9.879 1.00 0.00 H new ATOM 1016 N VAL A 61 -2.902 -7.107 9.350 1.00 0.00 N ATOM 1017 CA VAL A 61 -2.872 -5.776 9.944 1.00 0.00 C ATOM 1018 C VAL A 61 -3.422 -4.731 8.979 1.00 0.00 C ATOM 1019 O VAL A 61 -4.301 -3.945 9.333 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.442 -5.375 10.353 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.427 -3.969 10.935 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -0.874 -6.378 11.348 1.00 0.00 C ATOM 0 H VAL A 61 -1.997 -7.577 9.324 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.500 -5.813 10.834 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.812 -5.381 9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.409 -3.703 11.218 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.792 -3.263 10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.069 -3.933 11.815 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.137 -6.081 11.627 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.503 -6.404 12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.848 -7.368 10.892 1.00 0.00 H new ATOM 1032 N VAL A 62 -2.900 -4.728 7.757 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.341 -3.781 6.739 1.00 0.00 C ATOM 1034 C VAL A 62 -4.831 -3.932 6.456 1.00 0.00 C ATOM 1035 O VAL A 62 -5.595 -2.974 6.572 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.558 -3.965 5.426 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.069 -3.006 4.361 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.068 -3.770 5.660 1.00 0.00 C ATOM 0 H VAL A 62 -2.171 -5.371 7.447 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.149 -2.782 7.131 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.715 -4.983 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.504 -3.150 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.125 -3.200 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.945 -1.979 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.532 -3.904 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.888 -2.765 6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.715 -4.502 6.387 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.237 -5.141 6.086 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.638 -5.418 5.786 1.00 0.00 C ATOM 1050 C CYS A 63 -7.533 -5.017 6.952 1.00 0.00 C ATOM 1051 O CYS A 63 -8.698 -4.670 6.763 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.828 -6.902 5.467 1.00 0.00 C ATOM 1053 SG CYS A 63 -6.173 -7.401 3.858 1.00 0.00 S ATOM 0 H CYS A 63 -4.617 -5.945 5.986 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.922 -4.827 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.344 -7.494 6.244 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.892 -7.137 5.503 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.898 -7.632 3.961 1.00 0.00 H new ATOM 1059 N ALA A 64 -6.981 -5.069 8.161 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.731 -4.711 9.359 1.00 0.00 C ATOM 1061 C ALA A 64 -7.981 -3.208 9.420 1.00 0.00 C ATOM 1062 O ALA A 64 -9.127 -2.762 9.473 1.00 0.00 O ATOM 1063 CB ALA A 64 -6.990 -5.176 10.603 1.00 0.00 C ATOM 0 H ALA A 64 -6.018 -5.355 8.336 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.698 -5.212 9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.561 -4.902 11.490 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.867 -6.259 10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.010 -4.701 10.642 1.00 0.00 H new ATOM 1069 N MET A 65 -6.902 -2.432 9.414 1.00 0.00 N ATOM 1070 CA MET A 65 -7.006 -0.978 9.469 1.00 0.00 C ATOM 1071 C MET A 65 -7.723 -0.437 8.236 1.00 0.00 C ATOM 1072 O MET A 65 -8.440 0.560 8.312 1.00 0.00 O ATOM 1073 CB MET A 65 -5.616 -0.351 9.581 1.00 0.00 C ATOM 1074 CG MET A 65 -4.858 -0.312 8.264 1.00 0.00 C ATOM 1075 SD MET A 65 -3.216 0.414 8.427 1.00 0.00 S ATOM 1076 CE MET A 65 -2.300 -0.967 9.105 1.00 0.00 C ATOM 0 H MET A 65 -5.946 -2.785 9.372 1.00 0.00 H new ATOM 0 HA MET A 65 -7.589 -0.713 10.351 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.715 0.665 9.964 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.031 -0.911 10.311 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.766 -1.325 7.873 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.433 0.260 7.536 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.731 -0.635 9.973 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.994 -1.752 9.405 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.617 -1.356 8.350 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.526 -1.102 7.103 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.154 -0.688 5.854 1.00 0.00 C ATOM 1088 C ILE A 66 -9.654 -0.964 5.877 1.00 0.00 C ATOM 1089 O ILE A 66 -10.460 -0.094 5.551 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.529 -1.405 4.644 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.429 -0.541 4.024 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.598 -1.733 3.612 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.361 -0.123 5.009 1.00 0.00 C ATOM 0 H ILE A 66 -6.936 -1.930 7.024 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.985 0.384 5.755 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.082 -2.339 4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.963 -1.092 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.880 0.351 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.140 -2.240 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.349 -2.383 4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.071 -0.812 3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.615 0.487 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.815 0.456 5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.883 -1.010 5.425 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.020 -2.182 6.264 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.423 -2.573 6.329 1.00 0.00 C ATOM 1107 C GLU A 67 -12.199 -1.658 7.272 1.00 0.00 C ATOM 1108 O GLU A 67 -13.254 -1.133 6.916 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.550 -4.026 6.792 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.360 -5.039 5.675 1.00 0.00 C ATOM 1111 CD GLU A 67 -12.664 -5.419 5.003 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -13.615 -4.611 5.055 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -12.735 -6.524 4.426 1.00 0.00 O ATOM 0 H GLU A 67 -9.365 -2.914 6.537 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.846 -2.480 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.813 -4.216 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.533 -4.171 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.678 -4.629 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.889 -5.935 6.079 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.670 -1.472 8.477 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.325 -0.621 9.453 1.00 0.00 C ATOM 1122 C GLY A 68 -12.377 0.829 9.015 1.00 0.00 C ATOM 1123 O GLY A 68 -13.426 1.469 9.089 1.00 0.00 O ATOM 0 H GLY A 68 -10.799 -1.896 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.339 -0.983 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.797 -0.691 10.404 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.243 1.349 8.560 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.164 2.734 8.109 1.00 0.00 C ATOM 1129 C ALA A 69 -12.099 2.980 6.929 1.00 0.00 C ATOM 1130 O ALA A 69 -12.956 3.861 6.979 1.00 0.00 O ATOM 1131 CB ALA A 69 -9.733 3.085 7.732 1.00 0.00 C ATOM 0 H ALA A 69 -10.366 0.833 8.493 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.480 3.377 8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.689 4.121 7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.086 2.956 8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.397 2.430 6.928 1.00 0.00 H new ATOM 1137 N GLN A 70 -11.927 2.196 5.870 1.00 0.00 N ATOM 1138 CA GLN A 70 -12.754 2.331 4.677 1.00 0.00 C ATOM 1139 C GLN A 70 -14.236 2.256 5.032 1.00 0.00 C ATOM 1140 O GLN A 70 -15.028 3.098 4.611 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.406 1.241 3.662 1.00 0.00 C ATOM 1142 CG GLN A 70 -12.664 1.647 2.220 1.00 0.00 C ATOM 1143 CD GLN A 70 -14.137 1.848 1.924 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -14.629 2.977 1.899 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -14.850 0.751 1.699 1.00 0.00 N ATOM 0 H GLN A 70 -11.222 1.461 5.814 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.552 3.307 4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.355 0.975 3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.987 0.347 3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.125 2.570 2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.265 0.882 1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.401 -0.164 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.847 0.823 1.495 1.00 0.00 H new ATOM 1154 N GLY A 71 -14.603 1.242 5.808 1.00 0.00 N ATOM 1155 CA GLY A 71 -15.989 1.076 6.206 1.00 0.00 C ATOM 1156 C GLY A 71 -16.493 2.230 7.049 1.00 0.00 C ATOM 1157 O GLY A 71 -17.665 2.596 6.977 1.00 0.00 O ATOM 0 H GLY A 71 -13.966 0.532 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.611 0.982 5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.094 0.147 6.767 1.00 0.00 H new ATOM 1161 N ALA A 72 -15.604 2.804 7.854 1.00 0.00 N ATOM 1162 CA ALA A 72 -15.964 3.923 8.715 1.00 0.00 C ATOM 1163 C ALA A 72 -16.237 5.180 7.897 1.00 0.00 C ATOM 1164 O ALA A 72 -17.348 5.715 7.911 1.00 0.00 O ATOM 1165 CB ALA A 72 -14.864 4.182 9.732 1.00 0.00 C ATOM 0 H ALA A 72 -14.629 2.512 7.927 1.00 0.00 H new ATOM 0 HA ALA A 72 -16.879 3.660 9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -15.147 5.021 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.720 3.293 10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.936 4.418 9.212 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.219 5.649 7.184 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.348 6.845 6.358 1.00 0.00 C ATOM 1173 C LEU A 73 -16.531 6.721 5.402 1.00 0.00 C ATOM 1174 O LEU A 73 -17.339 7.640 5.279 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.062 7.085 5.567 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.511 5.882 4.800 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -13.942 5.937 3.342 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -11.995 5.828 4.908 1.00 0.00 C ATOM 0 H LEU A 73 -14.294 5.219 7.161 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.524 7.694 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.241 7.892 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.294 7.433 6.258 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.918 4.974 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.541 5.073 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.030 5.926 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.564 6.851 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.621 4.965 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.568 6.739 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.708 5.740 5.956 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.625 5.578 4.730 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.710 5.335 3.787 1.00 0.00 C ATOM 1192 C GLU A 74 -19.064 5.395 4.487 1.00 0.00 C ATOM 1193 O GLU A 74 -19.988 6.062 4.019 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.533 3.972 3.112 1.00 0.00 C ATOM 1195 CG GLU A 74 -18.179 3.884 1.740 1.00 0.00 C ATOM 1196 CD GLU A 74 -19.499 3.138 1.763 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -19.589 2.115 2.475 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -20.441 3.577 1.072 1.00 0.00 O ATOM 0 H GLU A 74 -15.964 4.807 4.821 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.678 6.116 3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -16.468 3.758 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.957 3.200 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.341 4.890 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.496 3.385 1.052 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.174 4.693 5.611 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.416 4.666 6.375 1.00 0.00 C ATOM 1207 C ARG A 75 -20.764 6.057 6.896 1.00 0.00 C ATOM 1208 O ARG A 75 -21.935 6.382 7.089 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.298 3.687 7.544 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.553 3.603 8.397 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.739 3.092 7.596 1.00 0.00 C ATOM 1212 NE ARG A 75 -23.709 2.396 8.436 1.00 0.00 N ATOM 1213 CZ ARG A 75 -23.568 1.135 8.830 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -22.504 0.435 8.461 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -24.495 0.570 9.596 1.00 0.00 N ATOM 0 H ARG A 75 -18.419 4.136 6.012 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.215 4.335 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.067 2.696 7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -19.460 3.986 8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -21.374 2.942 9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -21.784 4.588 8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.227 3.929 7.097 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.386 2.418 6.816 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.540 2.905 8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -21.790 0.864 7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -22.400 -0.533 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.315 1.104 9.882 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -24.386 -0.398 9.898 1.00 0.00 H new ATOM 1229 N GLU A 76 -19.739 6.873 7.123 1.00 0.00 N ATOM 1230 CA GLU A 76 -19.938 8.227 7.624 1.00 0.00 C ATOM 1231 C GLU A 76 -20.393 9.160 6.504 1.00 0.00 C ATOM 1232 O GLU A 76 -21.422 9.828 6.617 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.647 8.758 8.250 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.880 9.657 9.454 1.00 0.00 C ATOM 1235 CD GLU A 76 -20.015 10.638 9.239 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -19.952 11.415 8.264 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -20.968 10.627 10.047 1.00 0.00 O ATOM 0 H GLU A 76 -18.763 6.620 6.968 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.717 8.194 8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.025 7.915 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.088 9.312 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.098 9.041 10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.965 10.208 9.674 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.619 9.201 5.425 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.941 10.051 4.285 1.00 0.00 C ATOM 1246 C LEU A 77 -21.253 9.620 3.637 1.00 0.00 C ATOM 1247 O LEU A 77 -21.940 10.423 3.005 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.811 10.006 3.255 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.455 8.621 2.710 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.259 8.319 1.455 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.963 8.529 2.425 1.00 0.00 C ATOM 0 H LEU A 77 -18.764 8.655 5.316 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.055 11.073 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.085 10.645 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.918 10.438 3.706 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.707 7.877 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.993 7.330 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.323 8.344 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.038 9.066 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.727 7.538 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.686 9.282 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.405 8.701 3.346 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.597 8.347 3.800 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.829 7.809 3.236 1.00 0.00 C ATOM 1265 C LYS A 78 -24.049 8.499 3.835 1.00 0.00 C ATOM 1266 O LYS A 78 -25.151 8.415 3.290 1.00 0.00 O ATOM 1267 CB LYS A 78 -22.911 6.301 3.482 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.495 5.464 2.285 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.585 5.423 1.228 1.00 0.00 C ATOM 1270 CE LYS A 78 -23.035 5.003 -0.127 1.00 0.00 C ATOM 1271 NZ LYS A 78 -22.933 3.522 -0.248 1.00 0.00 N ATOM 0 H LYS A 78 -21.039 7.668 4.319 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.819 7.996 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.277 6.045 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -23.933 6.042 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.583 5.874 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.265 4.450 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.366 4.727 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.049 6.406 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.680 5.389 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.051 5.448 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -22.939 3.255 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.048 3.198 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.741 3.078 0.233 1.00 0.00 H new ATOM 1285 N ARG A 79 -23.847 9.182 4.957 1.00 0.00 N ATOM 1286 CA ARG A 79 -24.932 9.887 5.628 1.00 0.00 C ATOM 1287 C ARG A 79 -25.681 10.788 4.651 1.00 0.00 C ATOM 1288 O ARG A 79 -26.907 10.896 4.705 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.385 10.720 6.790 1.00 0.00 C ATOM 1290 CG ARG A 79 -24.064 9.899 8.028 1.00 0.00 C ATOM 1291 CD ARG A 79 -25.325 9.515 8.786 1.00 0.00 C ATOM 1292 NE ARG A 79 -25.935 10.664 9.450 1.00 0.00 N ATOM 1293 CZ ARG A 79 -27.034 10.586 10.193 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -27.639 9.419 10.366 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -27.529 11.676 10.765 1.00 0.00 N ATOM 0 H ARG A 79 -22.942 9.262 5.420 1.00 0.00 H new ATOM 0 HA ARG A 79 -25.628 9.145 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -23.483 11.237 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -25.114 11.487 7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -23.524 8.998 7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -23.404 10.469 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -26.043 9.072 8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -25.085 8.753 9.528 1.00 0.00 H new ATOM 0 HE ARG A 79 -25.493 11.576 9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -27.261 8.579 9.928 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -28.482 9.361 10.937 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -27.066 12.575 10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -28.373 11.615 11.335 1.00 0.00 H new ATOM 1309 N THR A 80 -24.937 11.434 3.760 1.00 0.00 N ATOM 1310 CA THR A 80 -25.531 12.326 2.772 1.00 0.00 C ATOM 1311 C THR A 80 -24.697 12.366 1.496 1.00 0.00 C ATOM 1312 O THR A 80 -23.523 11.995 1.498 1.00 0.00 O ATOM 1313 CB THR A 80 -25.674 13.758 3.322 1.00 0.00 C ATOM 1314 OG1 THR A 80 -24.423 14.205 3.858 1.00 0.00 O ATOM 1315 CG2 THR A 80 -26.744 13.817 4.403 1.00 0.00 C ATOM 0 H THR A 80 -23.922 11.356 3.702 1.00 0.00 H new ATOM 0 HA THR A 80 -26.521 11.931 2.544 1.00 0.00 H new ATOM 0 HB THR A 80 -25.971 14.411 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 80 -24.522 15.117 4.204 1.00 0.00 H new ATOM 0 HG21 THR A 80 -26.828 14.837 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 80 -27.701 13.504 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 80 -26.471 13.152 5.222 1.00 0.00 H new ATOM 1323 N ASP A 81 -25.311 12.819 0.409 1.00 0.00 N ATOM 1324 CA ASP A 81 -24.624 12.909 -0.876 1.00 0.00 C ATOM 1325 C ASP A 81 -25.511 13.580 -1.920 1.00 0.00 C ATOM 1326 O ASP A 81 -25.660 13.081 -3.036 1.00 0.00 O ATOM 1327 CB ASP A 81 -24.212 11.518 -1.356 1.00 0.00 C ATOM 1328 CG ASP A 81 -23.353 11.568 -2.604 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -22.993 12.684 -3.033 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -23.041 10.490 -3.153 1.00 0.00 O ATOM 0 H ASP A 81 -26.282 13.130 0.391 1.00 0.00 H new ATOM 0 HA ASP A 81 -23.730 13.517 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -23.665 11.010 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -25.105 10.927 -1.557 1.00 0.00 H new ATOM 1335 N LEU A 82 -26.099 14.713 -1.550 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.973 15.451 -2.455 1.00 0.00 C ATOM 1337 C LEU A 82 -26.210 16.574 -3.153 1.00 0.00 C ATOM 1338 O LEU A 82 -26.309 17.738 -2.769 1.00 0.00 O ATOM 1339 CB LEU A 82 -28.163 16.030 -1.687 1.00 0.00 C ATOM 1340 CG LEU A 82 -29.461 16.185 -2.479 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -30.623 16.490 -1.546 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -29.317 17.277 -3.531 1.00 0.00 C ATOM 0 H LEU A 82 -25.986 15.140 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 82 -27.339 14.758 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -28.360 15.391 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -27.878 17.008 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 82 -29.669 15.244 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -31.538 16.597 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -30.740 15.675 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -30.424 17.417 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -30.251 17.374 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -29.085 18.224 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -28.512 17.016 -4.218 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.450 16.213 -4.182 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.671 17.190 -4.936 1.00 0.00 C ATOM 1356 C ASN A 83 -23.949 16.525 -6.104 1.00 0.00 C ATOM 1357 O ASN A 83 -23.410 15.426 -5.968 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.658 17.881 -4.021 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.373 19.308 -4.448 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -22.216 19.705 -4.591 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.430 20.086 -4.654 1.00 0.00 N ATOM 0 H ASN A 83 -25.357 15.253 -4.513 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.358 17.936 -5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.036 17.879 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.728 17.313 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.301 21.056 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.371 19.714 -4.523 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.940 17.199 -7.248 1.00 0.00 N ATOM 1369 CA ILE A 84 -23.283 16.675 -8.439 1.00 0.00 C ATOM 1370 C ILE A 84 -21.839 16.282 -8.141 1.00 0.00 C ATOM 1371 O ILE A 84 -21.431 15.146 -8.385 1.00 0.00 O ATOM 1372 CB ILE A 84 -23.297 17.700 -9.588 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.736 18.090 -9.934 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -22.587 17.136 -10.810 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -24.836 19.343 -10.776 1.00 0.00 C ATOM 0 H ILE A 84 -24.381 18.110 -7.376 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.843 15.791 -8.745 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.765 18.595 -9.264 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -25.209 17.265 -10.467 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -25.296 18.237 -9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -22.605 17.872 -11.614 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -21.553 16.903 -10.555 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -23.093 16.228 -11.138 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -25.884 19.560 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -24.392 20.180 -10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -24.304 19.193 -11.716 1.00 0.00 H new ATOM 1387 N LEU A 85 -21.073 17.229 -7.610 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.674 16.981 -7.277 1.00 0.00 C ATOM 1389 C LEU A 85 -19.549 15.863 -6.247 1.00 0.00 C ATOM 1390 O LEU A 85 -18.714 14.971 -6.384 1.00 0.00 O ATOM 1391 CB LEU A 85 -19.024 18.258 -6.742 1.00 0.00 C ATOM 1392 CG LEU A 85 -17.640 18.591 -7.300 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -17.438 20.098 -7.365 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.554 17.942 -6.454 1.00 0.00 C ATOM 0 H LEU A 85 -21.396 18.174 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 85 -19.159 16.671 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.689 19.096 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.946 18.176 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 85 -17.572 18.192 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -16.447 20.315 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -18.195 20.539 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.526 20.520 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.576 18.190 -6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.621 18.311 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.687 16.860 -6.459 1.00 0.00 H new ATOM 1406 N GLU A 86 -20.387 15.919 -5.216 1.00 0.00 N ATOM 1407 CA GLU A 86 -20.370 14.910 -4.164 1.00 0.00 C ATOM 1408 C GLU A 86 -20.615 13.518 -4.741 1.00 0.00 C ATOM 1409 O GLU A 86 -19.949 12.553 -4.363 1.00 0.00 O ATOM 1410 CB GLU A 86 -21.429 15.228 -3.106 1.00 0.00 C ATOM 1411 CG GLU A 86 -21.086 16.432 -2.244 1.00 0.00 C ATOM 1412 CD GLU A 86 -22.155 16.733 -1.212 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -22.718 15.774 -0.643 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -22.430 17.928 -0.973 1.00 0.00 O ATOM 0 H GLU A 86 -21.085 16.652 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 86 -19.385 14.924 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.383 15.407 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.561 14.358 -2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.137 16.253 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.947 17.304 -2.883 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.573 13.423 -5.656 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.906 12.150 -6.284 1.00 0.00 C ATOM 1423 C ARG A 87 -20.721 11.608 -7.077 1.00 0.00 C ATOM 1424 O ARG A 87 -20.369 10.433 -6.964 1.00 0.00 O ATOM 1425 CB ARG A 87 -23.117 12.312 -7.204 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.887 11.021 -7.431 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.879 11.158 -8.576 1.00 0.00 C ATOM 1428 NE ARG A 87 -26.127 11.780 -8.146 1.00 0.00 N ATOM 1429 CZ ARG A 87 -27.210 11.863 -8.912 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -27.195 11.365 -10.142 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -28.310 12.444 -8.451 1.00 0.00 N ATOM 0 H ARG A 87 -22.133 14.212 -5.979 1.00 0.00 H new ATOM 0 HA ARG A 87 -22.150 11.438 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.790 13.056 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.782 12.699 -8.166 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -23.189 10.213 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -24.418 10.747 -6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -24.433 11.753 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -25.090 10.173 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 87 -26.171 12.173 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -26.351 10.918 -10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -28.027 11.430 -10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -28.326 12.829 -7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -29.140 12.506 -9.041 1.00 0.00 H new ATOM 1445 N PHE A 88 -20.108 12.472 -7.881 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.963 12.080 -8.694 1.00 0.00 C ATOM 1447 C PHE A 88 -17.841 11.525 -7.822 1.00 0.00 C ATOM 1448 O PHE A 88 -17.379 10.402 -8.026 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.452 13.275 -9.503 1.00 0.00 C ATOM 1450 CG PHE A 88 -17.160 13.005 -10.218 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -17.034 11.911 -11.059 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -16.071 13.845 -10.050 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.845 11.661 -11.720 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.881 13.600 -10.709 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.768 12.505 -11.544 1.00 0.00 C ATOM 0 H PHE A 88 -20.386 13.448 -7.986 1.00 0.00 H new ATOM 0 HA PHE A 88 -19.287 11.297 -9.380 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -19.209 13.560 -10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -18.317 14.125 -8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.873 11.246 -11.200 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -16.153 14.701 -9.397 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.760 10.805 -12.374 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.040 14.264 -10.571 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.838 12.310 -12.058 1.00 0.00 H new ATOM 1465 N ASN A 89 -17.407 12.320 -6.849 1.00 0.00 N ATOM 1466 CA ASN A 89 -16.338 11.909 -5.946 1.00 0.00 C ATOM 1467 C ASN A 89 -16.727 10.647 -5.181 1.00 0.00 C ATOM 1468 O ASN A 89 -15.917 9.734 -5.018 1.00 0.00 O ATOM 1469 CB ASN A 89 -16.012 13.034 -4.963 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.583 14.309 -5.664 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.591 14.388 -6.892 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -15.205 15.315 -4.884 1.00 0.00 N ATOM 0 H ASN A 89 -17.779 13.252 -6.666 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.454 11.691 -6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.887 13.239 -4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.218 12.707 -4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.906 16.197 -5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -15.214 15.205 -3.870 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.970 10.604 -4.716 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.466 9.456 -3.967 1.00 0.00 C ATOM 1481 C TYR A 90 -18.430 8.192 -4.820 1.00 0.00 C ATOM 1482 O TYR A 90 -18.020 7.129 -4.356 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.893 9.715 -3.480 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.958 10.442 -2.155 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -19.054 11.453 -1.851 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.922 10.118 -1.209 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -19.109 12.119 -0.642 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.986 10.781 0.001 1.00 0.00 C ATOM 1489 CZ TYR A 90 -20.077 11.780 0.280 1.00 0.00 C ATOM 1490 OH TYR A 90 -20.136 12.441 1.485 1.00 0.00 O ATOM 0 H TYR A 90 -18.653 11.351 -4.844 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.816 9.310 -3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.424 10.299 -4.232 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.415 8.763 -3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -18.296 11.722 -2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.634 9.334 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.398 12.901 -0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.744 10.519 0.725 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.687 11.929 2.113 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.862 8.318 -6.071 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.880 7.186 -6.991 1.00 0.00 C ATOM 1502 C GLU A 91 -17.474 6.629 -7.196 1.00 0.00 C ATOM 1503 O GLU A 91 -17.231 5.441 -6.996 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.478 7.603 -8.336 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.923 6.430 -9.193 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.819 6.853 -10.341 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -20.470 7.830 -11.036 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.870 6.209 -10.543 1.00 0.00 O ATOM 0 H GLU A 91 -19.204 9.192 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.501 6.404 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.332 8.257 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.740 8.186 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.045 5.922 -9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.453 5.710 -8.570 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.553 7.500 -7.597 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.172 7.096 -7.830 1.00 0.00 C ATOM 1517 C GLU A 92 -14.538 6.556 -6.551 1.00 0.00 C ATOM 1518 O GLU A 92 -13.912 5.497 -6.554 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.353 8.276 -8.359 1.00 0.00 C ATOM 1520 CG GLU A 92 -13.122 7.859 -9.146 1.00 0.00 C ATOM 1521 CD GLU A 92 -13.425 7.602 -10.609 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -14.256 8.337 -11.182 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -12.829 6.665 -11.182 1.00 0.00 O ATOM 0 H GLU A 92 -16.738 8.489 -7.767 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.175 6.302 -8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.989 8.892 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.043 8.898 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.364 8.638 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.700 6.957 -8.702 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.707 7.294 -5.458 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.153 6.890 -4.172 1.00 0.00 C ATOM 1532 C ALA A 93 -14.541 5.455 -3.832 1.00 0.00 C ATOM 1533 O ALA A 93 -13.686 4.633 -3.503 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.620 7.838 -3.076 1.00 0.00 C ATOM 0 H ALA A 93 -15.223 8.174 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.066 6.938 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.199 7.525 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.288 8.851 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.708 7.818 -3.017 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.836 5.161 -3.915 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.336 3.825 -3.616 1.00 0.00 C ATOM 1542 C GLN A 94 -15.781 2.802 -4.603 1.00 0.00 C ATOM 1543 O GLN A 94 -15.482 1.666 -4.234 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.865 3.810 -3.653 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.485 2.758 -2.747 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.866 2.334 -3.206 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.154 1.142 -3.326 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.729 3.309 -3.467 1.00 0.00 N ATOM 0 H GLN A 94 -16.556 5.830 -4.187 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.001 3.555 -2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.237 4.793 -3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.194 3.635 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.834 1.885 -2.712 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.548 3.150 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.448 4.283 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.673 3.084 -3.781 1.00 0.00 H new ATOM 1557 N THR A 95 -15.646 3.213 -5.860 1.00 0.00 N ATOM 1558 CA THR A 95 -15.129 2.333 -6.900 1.00 0.00 C ATOM 1559 C THR A 95 -13.743 1.811 -6.540 1.00 0.00 C ATOM 1560 O THR A 95 -13.497 0.605 -6.562 1.00 0.00 O ATOM 1561 CB THR A 95 -15.056 3.053 -8.260 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.351 3.545 -8.624 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.542 2.115 -9.342 1.00 0.00 C ATOM 0 H THR A 95 -15.888 4.150 -6.182 1.00 0.00 H new ATOM 0 HA THR A 95 -15.821 1.495 -6.977 1.00 0.00 H new ATOM 0 HB THR A 95 -14.363 3.889 -8.167 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.493 4.425 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.499 2.646 -10.293 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.544 1.765 -9.076 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.214 1.261 -9.433 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.840 2.727 -6.207 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.476 2.358 -5.839 1.00 0.00 C ATOM 1573 C LEU A 96 -11.460 1.544 -4.550 1.00 0.00 C ATOM 1574 O LEU A 96 -10.761 0.536 -4.449 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.614 3.612 -5.677 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.279 4.368 -6.962 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.453 5.607 -6.653 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.539 3.461 -7.936 1.00 0.00 C ATOM 0 H LEU A 96 -13.027 3.730 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.064 1.743 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.127 4.296 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.680 3.326 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.212 4.686 -7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.224 6.132 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.018 6.265 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.524 5.313 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.308 4.015 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.613 3.114 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.166 2.604 -8.183 1.00 0.00 H new ATOM 1590 N SER A 97 -12.237 1.988 -3.567 1.00 0.00 N ATOM 1591 CA SER A 97 -12.311 1.302 -2.283 1.00 0.00 C ATOM 1592 C SER A 97 -12.784 -0.138 -2.462 1.00 0.00 C ATOM 1593 O SER A 97 -12.199 -1.070 -1.908 1.00 0.00 O ATOM 1594 CB SER A 97 -13.256 2.045 -1.336 1.00 0.00 C ATOM 1595 OG SER A 97 -12.971 3.433 -1.318 1.00 0.00 O ATOM 0 H SER A 97 -12.824 2.819 -3.636 1.00 0.00 H new ATOM 0 HA SER A 97 -11.311 1.288 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.288 1.886 -1.648 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.162 1.638 -0.329 1.00 0.00 H new ATOM 0 HG SER A 97 -13.486 3.882 -2.021 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.845 -0.314 -3.241 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.397 -1.639 -3.497 1.00 0.00 C ATOM 1603 C LYS A 98 -13.362 -2.539 -4.165 1.00 0.00 C ATOM 1604 O LYS A 98 -13.136 -3.669 -3.729 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.643 -1.533 -4.380 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.703 -2.574 -4.064 1.00 0.00 C ATOM 1607 CD LYS A 98 -17.585 -2.854 -5.268 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.599 -1.742 -5.488 1.00 0.00 C ATOM 1609 NZ LYS A 98 -19.229 -1.823 -6.834 1.00 0.00 N ATOM 0 H LYS A 98 -14.341 0.446 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.674 -2.082 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.076 -0.539 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.347 -1.633 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.222 -3.498 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.318 -2.228 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.964 -2.963 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.107 -3.800 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.372 -1.799 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.108 -0.775 -5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.914 -1.048 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.495 -1.743 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.719 -2.735 -6.933 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.739 -2.033 -5.223 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.727 -2.791 -5.948 1.00 0.00 C ATOM 1625 C ILE A 99 -10.603 -3.236 -5.019 1.00 0.00 C ATOM 1626 O ILE A 99 -10.236 -4.412 -4.990 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.127 -1.968 -7.103 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.221 -1.565 -8.094 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.035 -2.760 -7.806 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.926 -0.279 -8.832 1.00 0.00 C ATOM 0 H ILE A 99 -12.917 -1.101 -5.598 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.225 -3.669 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.684 -1.061 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.356 -2.367 -8.819 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.164 -1.458 -7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.621 -2.165 -8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.245 -3.002 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.456 -3.682 -8.208 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.744 -0.056 -9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.820 0.536 -8.116 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.000 -0.388 -9.397 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.061 -2.291 -4.259 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.979 -2.586 -3.326 1.00 0.00 C ATOM 1644 C LEU A 100 -9.387 -3.684 -2.349 1.00 0.00 C ATOM 1645 O LEU A 100 -8.626 -4.619 -2.096 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.584 -1.324 -2.557 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.651 -1.530 -1.364 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -6.395 -2.273 -1.790 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -7.294 -0.193 -0.730 1.00 0.00 C ATOM 0 H LEU A 100 -10.353 -1.314 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.122 -2.937 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.106 -0.634 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.494 -0.839 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.170 -2.135 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.743 -2.410 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.668 -3.247 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.872 -1.696 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.629 -0.358 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.794 0.437 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.203 0.301 -0.387 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.592 -3.565 -1.804 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.104 -4.549 -0.856 1.00 0.00 C ATOM 1663 C LEU A 101 -11.104 -5.946 -1.468 1.00 0.00 C ATOM 1664 O LEU A 101 -10.626 -6.904 -0.860 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.517 -4.173 -0.412 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.631 -3.457 0.934 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -12.078 -4.330 2.051 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.905 -2.120 0.890 1.00 0.00 C ATOM 0 H LEU A 101 -11.233 -2.797 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.447 -4.554 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.959 -3.536 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.116 -5.082 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.685 -3.268 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.167 -3.804 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.641 -5.262 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.029 -4.550 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.997 -1.624 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.851 -2.285 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -12.346 -1.492 0.117 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.644 -6.056 -2.677 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.706 -7.335 -3.375 1.00 0.00 C ATOM 1682 C LYS A 102 -10.315 -7.947 -3.513 1.00 0.00 C ATOM 1683 O LYS A 102 -10.097 -9.101 -3.147 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.334 -7.154 -4.759 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.853 -7.115 -4.737 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.430 -7.069 -6.142 1.00 0.00 C ATOM 1687 CE LYS A 102 -14.327 -5.673 -6.740 1.00 0.00 C ATOM 1688 NZ LYS A 102 -15.307 -5.470 -7.843 1.00 0.00 N ATOM 0 H LYS A 102 -12.045 -5.274 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.326 -8.012 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.961 -6.229 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.009 -7.969 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.233 -7.993 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.187 -6.242 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.900 -7.779 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.474 -7.380 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.498 -4.930 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.317 -5.513 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.206 -4.508 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.128 -6.162 -8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -16.272 -5.598 -7.478 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.380 -7.166 -4.040 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.010 -7.630 -4.223 1.00 0.00 C ATOM 1704 C ASP A 103 -7.423 -8.125 -2.905 1.00 0.00 C ATOM 1705 O ASP A 103 -6.739 -9.148 -2.863 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.140 -6.509 -4.794 1.00 0.00 C ATOM 1707 CG ASP A 103 -5.966 -7.037 -5.594 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -5.266 -7.942 -5.094 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -5.746 -6.545 -6.721 1.00 0.00 O ATOM 0 H ASP A 103 -9.545 -6.208 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.026 -8.461 -4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.750 -5.868 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.770 -5.889 -3.978 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.693 -7.392 -1.831 1.00 0.00 N ATOM 1715 CA LEU A 104 -7.191 -7.755 -0.510 1.00 0.00 C ATOM 1716 C LEU A 104 -7.729 -9.116 -0.079 1.00 0.00 C ATOM 1717 O LEU A 104 -6.984 -9.959 0.421 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.583 -6.691 0.516 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.660 -5.475 0.608 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -7.190 -4.479 1.628 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -5.245 -5.904 0.964 1.00 0.00 C ATOM 0 H LEU A 104 -8.257 -6.542 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.104 -7.815 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.589 -6.342 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.630 -7.162 1.498 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.635 -4.988 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.521 -3.620 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.184 -4.146 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.246 -4.955 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.603 -5.025 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.251 -6.416 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.865 -6.578 0.196 1.00 0.00 H new ATOM 1733 N LYS A 105 -9.025 -9.324 -0.278 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.663 -10.584 0.086 1.00 0.00 C ATOM 1735 C LYS A 105 -9.040 -11.749 -0.675 1.00 0.00 C ATOM 1736 O LYS A 105 -8.781 -12.808 -0.103 1.00 0.00 O ATOM 1737 CB LYS A 105 -11.166 -10.520 -0.198 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.934 -9.656 0.786 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.080 -10.341 2.134 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.164 -9.687 2.977 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.518 -10.205 2.639 1.00 0.00 N ATOM 0 H LYS A 105 -9.655 -8.636 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.508 -10.746 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.321 -10.134 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.575 -11.530 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.419 -8.704 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.921 -9.432 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.320 -11.394 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.130 -10.303 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.960 -9.866 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.140 -8.608 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.228 -9.734 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.724 -10.012 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.549 -11.231 2.807 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.800 -11.546 -1.966 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.206 -12.581 -2.805 1.00 0.00 C ATOM 1757 C GLU A 106 -6.817 -12.960 -2.300 1.00 0.00 C ATOM 1758 O GLU A 106 -6.515 -14.136 -2.098 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.122 -12.106 -4.257 1.00 0.00 C ATOM 1760 CG GLU A 106 -9.105 -12.802 -5.183 1.00 0.00 C ATOM 1761 CD GLU A 106 -9.257 -12.090 -6.513 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -9.527 -10.871 -6.505 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -9.107 -12.752 -7.562 1.00 0.00 O ATOM 0 H GLU A 106 -9.007 -10.675 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.844 -13.463 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.303 -11.032 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.110 -12.270 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.771 -13.825 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.078 -12.863 -4.695 1.00 0.00 H new ATOM 1770 N THR A 107 -5.973 -11.952 -2.098 1.00 0.00 N ATOM 1771 CA THR A 107 -4.615 -12.177 -1.619 1.00 0.00 C ATOM 1772 C THR A 107 -4.616 -12.956 -0.308 1.00 0.00 C ATOM 1773 O THR A 107 -3.862 -13.914 -0.146 1.00 0.00 O ATOM 1774 CB THR A 107 -3.865 -10.848 -1.412 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.576 -10.024 -0.482 1.00 0.00 O ATOM 1776 CG2 THR A 107 -3.700 -10.108 -2.731 1.00 0.00 C ATOM 0 H THR A 107 -6.207 -10.972 -2.259 1.00 0.00 H new ATOM 0 HA THR A 107 -4.103 -12.760 -2.385 1.00 0.00 H new ATOM 0 HB THR A 107 -2.875 -11.073 -1.014 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.537 -10.205 -0.552 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.168 -9.173 -2.559 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.132 -10.726 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.682 -9.894 -3.154 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.470 -12.538 0.622 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.568 -13.198 1.918 1.00 0.00 C ATOM 1786 C GLU A 108 -5.933 -14.671 1.754 1.00 0.00 C ATOM 1787 O GLU A 108 -5.304 -15.546 2.345 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.609 -12.498 2.794 1.00 0.00 C ATOM 1789 CG GLU A 108 -6.446 -12.782 4.278 1.00 0.00 C ATOM 1790 CD GLU A 108 -6.877 -11.615 5.146 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.622 -10.747 4.644 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -6.469 -11.570 6.324 1.00 0.00 O ATOM 0 H GLU A 108 -6.102 -11.747 0.502 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.594 -13.135 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.546 -11.422 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.605 -12.811 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.032 -13.662 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.403 -13.019 4.486 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.955 -14.933 0.944 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.405 -16.298 0.702 1.00 0.00 C ATOM 1801 C GLN A 109 -6.259 -17.168 0.194 1.00 0.00 C ATOM 1802 O GLN A 109 -6.000 -18.246 0.729 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.554 -16.308 -0.308 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.618 -17.352 -0.010 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.616 -16.888 1.031 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.875 -15.692 1.170 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -11.185 -17.833 1.770 1.00 0.00 N ATOM 0 H GLN A 109 -7.486 -14.219 0.445 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.758 -16.709 1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.019 -15.322 -0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.149 -16.488 -1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -10.147 -17.599 -0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.137 -18.267 0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.941 -18.812 1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.866 -17.580 2.486 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.576 -16.691 -0.842 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.456 -17.424 -1.422 1.00 0.00 C ATOM 1818 C LYS A 110 -3.403 -17.737 -0.364 1.00 0.00 C ATOM 1819 O LYS A 110 -2.943 -18.872 -0.248 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.828 -16.617 -2.559 1.00 0.00 C ATOM 1821 CG LYS A 110 -3.623 -17.418 -3.833 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.656 -17.061 -4.889 1.00 0.00 C ATOM 1823 CE LYS A 110 -6.041 -17.557 -4.504 1.00 0.00 C ATOM 1824 NZ LYS A 110 -6.078 -19.040 -4.359 1.00 0.00 N ATOM 0 H LYS A 110 -5.778 -15.801 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.836 -18.365 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.463 -15.759 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.866 -16.226 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.623 -17.232 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.684 -18.483 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.680 -15.980 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.365 -17.496 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.346 -17.093 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.761 -17.248 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.887 -19.421 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.196 -19.447 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.177 -19.288 -3.354 1.00 0.00 H new ATOM 1838 N VAL A 111 -3.027 -16.721 0.408 1.00 0.00 N ATOM 1839 CA VAL A 111 -2.030 -16.889 1.459 1.00 0.00 C ATOM 1840 C VAL A 111 -2.438 -17.988 2.433 1.00 0.00 C ATOM 1841 O VAL A 111 -1.618 -18.815 2.834 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.813 -15.579 2.241 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.786 -15.781 3.345 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -1.385 -14.463 1.300 1.00 0.00 C ATOM 0 H VAL A 111 -3.398 -15.774 0.325 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.098 -17.170 0.969 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.757 -15.291 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.645 -14.846 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.138 -16.550 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.162 -16.093 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.236 -13.545 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.453 -14.740 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.159 -14.303 0.549 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.711 -17.992 2.813 1.00 0.00 N ATOM 1855 CA LYS A 112 -4.232 -18.990 3.740 1.00 0.00 C ATOM 1856 C LYS A 112 -4.328 -20.357 3.069 1.00 0.00 C ATOM 1857 O LYS A 112 -4.265 -21.391 3.735 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.608 -18.566 4.258 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.600 -17.231 4.982 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.893 -16.464 4.751 1.00 0.00 C ATOM 1861 CE LYS A 112 -8.092 -17.216 5.306 1.00 0.00 C ATOM 1862 NZ LYS A 112 -9.110 -16.292 5.880 1.00 0.00 N ATOM 0 H LYS A 112 -4.402 -17.314 2.493 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.542 -19.065 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.302 -18.511 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.985 -19.334 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.460 -17.396 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.755 -16.634 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.826 -15.484 5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.031 -16.294 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.547 -17.810 4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.759 -17.913 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.911 -16.844 6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.684 -15.743 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.447 -15.643 5.140 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.482 -20.354 1.750 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.584 -21.594 0.989 1.00 0.00 C ATOM 1878 C ASP A 113 -3.250 -22.332 0.971 1.00 0.00 C ATOM 1879 O ASP A 113 -3.199 -23.547 1.175 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.039 -21.303 -0.441 1.00 0.00 C ATOM 1881 CG ASP A 113 -6.455 -20.763 -0.500 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -7.269 -21.137 0.370 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -6.748 -19.966 -1.417 1.00 0.00 O ATOM 0 H ASP A 113 -4.539 -19.507 1.185 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.324 -22.230 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.359 -20.582 -0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.977 -22.217 -1.032 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.173 -21.593 0.726 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.839 -22.178 0.682 1.00 0.00 C ATOM 1890 C ILE A 114 -0.510 -22.896 1.987 1.00 0.00 C ATOM 1891 O ILE A 114 -0.718 -22.355 3.073 1.00 0.00 O ATOM 1892 CB ILE A 114 0.235 -21.110 0.411 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.367 -20.857 -1.093 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.571 -21.540 1.000 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.546 -19.764 -1.603 1.00 0.00 C ATOM 0 H ILE A 114 -2.199 -20.588 0.555 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.837 -22.898 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.070 -20.180 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.400 -20.592 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.150 -21.781 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.320 -20.774 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.468 -21.674 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.883 -22.480 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.399 -19.639 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.583 -20.036 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.314 -18.829 -1.093 1.00 0.00 H new ATOM 1907 N GLN A 115 0.008 -24.115 1.872 1.00 0.00 N ATOM 1908 CA GLN A 115 0.367 -24.904 3.044 1.00 0.00 C ATOM 1909 C GLN A 115 1.872 -24.860 3.289 1.00 0.00 C ATOM 1910 O GLN A 115 2.668 -25.067 2.373 1.00 0.00 O ATOM 1911 CB GLN A 115 -0.091 -26.354 2.868 1.00 0.00 C ATOM 1912 CG GLN A 115 0.492 -27.031 1.638 1.00 0.00 C ATOM 1913 CD GLN A 115 -0.546 -27.804 0.849 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -1.690 -27.370 0.717 1.00 0.00 O ATOM 1915 NE2 GLN A 115 -0.151 -28.956 0.321 1.00 0.00 N ATOM 0 H GLN A 115 0.188 -24.577 0.980 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.137 -24.474 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.189 -26.925 3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.179 -26.377 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.945 -26.277 0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.289 -27.709 1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.808 -29.277 0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -0.806 -29.520 -0.220 1.00 0.00 H new ATOM 1924 N THR A 116 2.256 -24.589 4.532 1.00 0.00 N ATOM 1925 CA THR A 116 3.665 -24.516 4.899 1.00 0.00 C ATOM 1926 C THR A 116 3.879 -24.934 6.349 1.00 0.00 C ATOM 1927 O THR A 116 2.921 -25.202 7.074 1.00 0.00 O ATOM 1928 CB THR A 116 4.224 -23.094 4.698 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.575 -22.182 5.591 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.028 -22.633 3.262 1.00 0.00 C ATOM 0 H THR A 116 1.610 -24.416 5.303 1.00 0.00 H new ATOM 0 HA THR A 116 4.198 -25.205 4.244 1.00 0.00 H new ATOM 0 HB THR A 116 5.292 -23.114 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.961 -21.610 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.430 -21.627 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.548 -23.313 2.587 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.964 -22.629 3.023 1.00 0.00 H new ATOM 1938 N GLN A 117 5.140 -24.987 6.765 1.00 0.00 N ATOM 1939 CA GLN A 117 5.478 -25.373 8.130 1.00 0.00 C ATOM 1940 C GLN A 117 4.756 -24.489 9.140 1.00 0.00 C ATOM 1941 O GLN A 117 5.199 -23.379 9.440 1.00 0.00 O ATOM 1942 CB GLN A 117 6.990 -25.286 8.346 1.00 0.00 C ATOM 1943 CG GLN A 117 7.504 -26.226 9.425 1.00 0.00 C ATOM 1944 CD GLN A 117 7.532 -25.580 10.797 1.00 0.00 C ATOM 1945 OE1 GLN A 117 8.520 -24.952 11.179 1.00 0.00 O ATOM 1946 NE2 GLN A 117 6.447 -25.733 11.546 1.00 0.00 N ATOM 0 H GLN A 117 5.944 -24.768 6.177 1.00 0.00 H new ATOM 0 HA GLN A 117 5.155 -26.403 8.281 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.497 -25.511 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.253 -24.262 8.612 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.873 -27.114 9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.509 -26.558 9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.651 -26.262 11.189 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.409 -25.322 12.479 1.00 0.00 H new TER 1955 GLN A 117