USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=19 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 78 LYS NZ :NH3+ -148:sc= 0 (180deg=0) USER MOD Set 1.2: A 94 GLN : amide:sc= 0 X(o=0,f=0.042) USER MOD Set 2.1: A 70 GLN : amide:sc= 0.256 K(o=1,f=-4.9!) USER MOD Set 2.2: A 97 SER OG : rot 76:sc= 0.793 USER MOD Set 3.1: A 52 GLN : amide:sc= 0.121 K(o=-0.097,f=-4.6!) USER MOD Set 3.2: A 116 THR OG1 : rot 180:sc= -0.219 USER MOD Set 4.1: A 46 ASN : amide:sc=-0.00987 K(o=-0.0099,f=-1.4) USER MOD Set 4.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 28 LYS NZ :NH3+ 173:sc= -0.668 (180deg=0) USER MOD Set 5.2: A 32 GLN : amide:sc= -2.24 K(o=-2.9,f=-4.3) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 145:sc= 0.0211 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.01) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= -0.237 (180deg=-1.46!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 21 GLN : amide:sc= -0.581 K(o=-0.58,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.027) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.5) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.5) USER MOD Single : A 44 ASN : amide:sc= 0.282 K(o=0.28,f=-0.24) USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -0.122 (180deg=-0.664) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -32:sc= 0.638 USER MOD Single : A 65 MET CE :methyl -168:sc= -5.01! (180deg=-5.31!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.702 X(o=-0.7,f=-1) USER MOD Single : A 89 ASN : amide:sc= -0.585 K(o=-0.59,f=-4!) USER MOD Single : A 90 TYR OH : rot 165:sc= -0.264 USER MOD Single : A 95 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00464) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00487) USER MOD Single : A 107 THR OG1 : rot 80:sc= 0.173 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 110 LYS NZ :NH3+ -130:sc= 0.694 (180deg=-0.272) USER MOD Single : A 112 LYS NZ :NH3+ 170:sc=-0.00134 (180deg=-0.11) USER MOD Single : A 115 GLN : amide:sc= -0.0994 K(o=-0.099,f=-1.9!) USER MOD Single : A 117 GLN : amide:sc= -0.755 X(o=-0.76,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 5.920 3.282 -22.883 1.00 0.00 N ATOM 2 CA GLN A 1 5.262 3.455 -21.594 1.00 0.00 C ATOM 3 C GLN A 1 5.817 4.669 -20.857 1.00 0.00 C ATOM 4 O GLN A 1 7.013 4.950 -20.919 1.00 0.00 O ATOM 5 CB GLN A 1 5.435 2.200 -20.736 1.00 0.00 C ATOM 6 CG GLN A 1 4.382 1.135 -20.997 1.00 0.00 C ATOM 7 CD GLN A 1 3.162 1.291 -20.110 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.084 0.700 -19.033 1.00 0.00 O ATOM 9 NE2 GLN A 1 2.202 2.089 -20.560 1.00 0.00 N ATOM 0 H1 GLN A 1 6.014 2.267 -23.091 1.00 0.00 H new ATOM 0 H2 GLN A 1 5.352 3.737 -23.626 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.864 3.718 -22.852 1.00 0.00 H new ATOM 0 HA GLN A 1 4.200 3.618 -21.777 1.00 0.00 H new ATOM 0 HB2 GLN A 1 6.422 1.776 -20.921 1.00 0.00 H new ATOM 0 HB3 GLN A 1 5.402 2.482 -19.684 1.00 0.00 H new ATOM 0 HG2 GLN A 1 4.075 1.181 -22.042 1.00 0.00 H new ATOM 0 HG3 GLN A 1 4.820 0.150 -20.837 1.00 0.00 H new ATOM 0 HE21 GLN A 1 2.309 2.559 -21.459 1.00 0.00 H new ATOM 0 HE22 GLN A 1 1.357 2.232 -20.007 1.00 0.00 H new ATOM 18 N GLU A 2 4.939 5.387 -20.163 1.00 0.00 N ATOM 19 CA GLU A 2 5.343 6.573 -19.416 1.00 0.00 C ATOM 20 C GLU A 2 5.273 6.319 -17.912 1.00 0.00 C ATOM 21 O GLU A 2 4.192 6.314 -17.322 1.00 0.00 O ATOM 22 CB GLU A 2 4.455 7.762 -19.786 1.00 0.00 C ATOM 23 CG GLU A 2 4.817 8.402 -21.115 1.00 0.00 C ATOM 24 CD GLU A 2 4.272 9.811 -21.252 1.00 0.00 C ATOM 25 OE1 GLU A 2 4.144 10.501 -20.219 1.00 0.00 O ATOM 26 OE2 GLU A 2 3.975 10.223 -22.393 1.00 0.00 O ATOM 0 H GLU A 2 3.945 5.168 -20.103 1.00 0.00 H new ATOM 0 HA GLU A 2 6.375 6.804 -19.680 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.417 7.432 -19.822 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.523 8.514 -19.000 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.902 8.424 -21.220 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.431 7.787 -21.928 1.00 0.00 H new ATOM 33 N HIS A 3 6.433 6.107 -17.299 1.00 0.00 N ATOM 34 CA HIS A 3 6.505 5.852 -15.865 1.00 0.00 C ATOM 35 C HIS A 3 7.001 7.086 -15.118 1.00 0.00 C ATOM 36 O HIS A 3 8.192 7.401 -15.139 1.00 0.00 O ATOM 37 CB HIS A 3 7.425 4.664 -15.581 1.00 0.00 C ATOM 38 CG HIS A 3 7.193 4.033 -14.244 1.00 0.00 C ATOM 39 ND1 HIS A 3 7.092 2.669 -14.062 1.00 0.00 N ATOM 40 CD2 HIS A 3 7.042 4.585 -13.017 1.00 0.00 C ATOM 41 CE1 HIS A 3 6.888 2.411 -12.783 1.00 0.00 C ATOM 42 NE2 HIS A 3 6.855 3.557 -12.127 1.00 0.00 N ATOM 0 H HIS A 3 7.336 6.107 -17.773 1.00 0.00 H new ATOM 0 HA HIS A 3 5.501 5.615 -15.513 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.284 3.912 -16.358 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.462 4.995 -15.642 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.065 5.639 -12.782 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.768 1.430 -12.348 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.714 3.661 -11.122 1.00 0.00 H new ATOM 50 N LYS A 4 6.082 7.783 -14.458 1.00 0.00 N ATOM 51 CA LYS A 4 6.425 8.983 -13.704 1.00 0.00 C ATOM 52 C LYS A 4 6.184 8.774 -12.212 1.00 0.00 C ATOM 53 O LYS A 4 5.404 7.917 -11.799 1.00 0.00 O ATOM 54 CB LYS A 4 5.606 10.175 -14.203 1.00 0.00 C ATOM 55 CG LYS A 4 4.152 9.840 -14.480 1.00 0.00 C ATOM 56 CD LYS A 4 3.257 11.057 -14.309 1.00 0.00 C ATOM 57 CE LYS A 4 3.132 11.844 -15.605 1.00 0.00 C ATOM 58 NZ LYS A 4 2.635 13.227 -15.369 1.00 0.00 N ATOM 0 H LYS A 4 5.093 7.537 -14.430 1.00 0.00 H new ATOM 0 HA LYS A 4 7.484 9.189 -13.858 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.651 10.972 -13.461 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.061 10.562 -15.115 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.053 9.454 -15.495 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.825 9.049 -13.805 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.268 10.739 -13.978 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.662 11.701 -13.529 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.103 11.886 -16.099 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.453 11.325 -16.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.564 13.730 -16.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.697 13.187 -14.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.296 13.732 -14.744 1.00 0.00 H new ATOM 72 N PRO A 5 6.868 9.578 -11.384 1.00 0.00 N ATOM 73 CA PRO A 5 6.743 9.502 -9.926 1.00 0.00 C ATOM 74 C PRO A 5 5.383 9.989 -9.434 1.00 0.00 C ATOM 75 O PRO A 5 4.887 11.026 -9.875 1.00 0.00 O ATOM 76 CB PRO A 5 7.855 10.428 -9.426 1.00 0.00 C ATOM 77 CG PRO A 5 8.077 11.390 -10.542 1.00 0.00 C ATOM 78 CD PRO A 5 7.815 10.623 -11.807 1.00 0.00 C ATOM 0 HA PRO A 5 6.827 8.478 -9.563 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.560 10.943 -8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.763 9.869 -9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.407 12.246 -10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.095 11.779 -10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.390 11.260 -12.582 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.731 10.194 -12.214 1.00 0.00 H new ATOM 86 N LYS A 6 4.786 9.235 -8.519 1.00 0.00 N ATOM 87 CA LYS A 6 3.484 9.589 -7.965 1.00 0.00 C ATOM 88 C LYS A 6 3.507 9.534 -6.442 1.00 0.00 C ATOM 89 O LYS A 6 3.421 8.458 -5.848 1.00 0.00 O ATOM 90 CB LYS A 6 2.403 8.649 -8.505 1.00 0.00 C ATOM 91 CG LYS A 6 0.995 9.045 -8.100 1.00 0.00 C ATOM 92 CD LYS A 6 0.362 9.977 -9.121 1.00 0.00 C ATOM 93 CE LYS A 6 0.445 11.429 -8.678 1.00 0.00 C ATOM 94 NZ LYS A 6 -0.683 11.800 -7.780 1.00 0.00 N ATOM 0 H LYS A 6 5.183 8.373 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 6 3.253 10.610 -8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.466 8.624 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.603 7.638 -8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.381 8.151 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.019 9.534 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.863 9.860 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.682 9.700 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.390 11.598 -8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.440 12.077 -9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.590 12.797 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.584 11.663 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.663 11.199 -6.931 1.00 0.00 H new ATOM 108 N LYS A 7 3.622 10.698 -5.813 1.00 0.00 N ATOM 109 CA LYS A 7 3.653 10.782 -4.357 1.00 0.00 C ATOM 110 C LYS A 7 2.619 11.782 -3.847 1.00 0.00 C ATOM 111 O LYS A 7 2.473 12.873 -4.398 1.00 0.00 O ATOM 112 CB LYS A 7 5.050 11.189 -3.879 1.00 0.00 C ATOM 113 CG LYS A 7 5.271 10.971 -2.393 1.00 0.00 C ATOM 114 CD LYS A 7 5.539 9.509 -2.077 1.00 0.00 C ATOM 115 CE LYS A 7 7.017 9.172 -2.212 1.00 0.00 C ATOM 116 NZ LYS A 7 7.373 8.783 -3.604 1.00 0.00 N ATOM 0 H LYS A 7 3.695 11.597 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 7 3.410 9.798 -3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.795 10.621 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.212 12.242 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.112 11.577 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.394 11.309 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.205 9.287 -1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.958 8.878 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.614 10.033 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.267 8.357 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.143 8.085 -3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.542 8.368 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.683 9.624 -4.131 1.00 0.00 H new ATOM 130 N ASP A 8 1.906 11.401 -2.793 1.00 0.00 N ATOM 131 CA ASP A 8 0.888 12.265 -2.208 1.00 0.00 C ATOM 132 C ASP A 8 1.455 13.648 -1.907 1.00 0.00 C ATOM 133 O ASP A 8 2.353 13.795 -1.078 1.00 0.00 O ATOM 134 CB ASP A 8 0.332 11.639 -0.927 1.00 0.00 C ATOM 135 CG ASP A 8 -0.997 12.242 -0.517 1.00 0.00 C ATOM 136 OD1 ASP A 8 -1.721 12.739 -1.404 1.00 0.00 O ATOM 137 OD2 ASP A 8 -1.311 12.219 0.692 1.00 0.00 O ATOM 0 H ASP A 8 2.014 10.500 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 8 0.080 12.373 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.211 10.566 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.052 11.771 -0.119 1.00 0.00 H new ATOM 142 N ASP A 9 0.926 14.659 -2.587 1.00 0.00 N ATOM 143 CA ASP A 9 1.380 16.031 -2.394 1.00 0.00 C ATOM 144 C ASP A 9 0.717 16.656 -1.170 1.00 0.00 C ATOM 145 O ASP A 9 1.365 17.345 -0.382 1.00 0.00 O ATOM 146 CB ASP A 9 1.080 16.871 -3.637 1.00 0.00 C ATOM 147 CG ASP A 9 1.918 18.133 -3.699 1.00 0.00 C ATOM 148 OD1 ASP A 9 3.053 18.067 -4.216 1.00 0.00 O ATOM 149 OD2 ASP A 9 1.438 19.187 -3.231 1.00 0.00 O ATOM 0 H ASP A 9 0.182 14.554 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 9 2.458 16.011 -2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.263 16.272 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.024 17.139 -3.644 1.00 0.00 H new ATOM 154 N PHE A 10 -0.581 16.411 -1.018 1.00 0.00 N ATOM 155 CA PHE A 10 -1.334 16.951 0.108 1.00 0.00 C ATOM 156 C PHE A 10 -1.399 15.944 1.252 1.00 0.00 C ATOM 157 O PHE A 10 -2.396 15.243 1.421 1.00 0.00 O ATOM 158 CB PHE A 10 -2.749 17.331 -0.332 1.00 0.00 C ATOM 159 CG PHE A 10 -3.391 18.369 0.543 1.00 0.00 C ATOM 160 CD1 PHE A 10 -2.744 19.563 0.814 1.00 0.00 C ATOM 161 CD2 PHE A 10 -4.643 18.150 1.096 1.00 0.00 C ATOM 162 CE1 PHE A 10 -3.331 20.520 1.618 1.00 0.00 C ATOM 163 CE2 PHE A 10 -5.237 19.104 1.901 1.00 0.00 C ATOM 164 CZ PHE A 10 -4.579 20.290 2.164 1.00 0.00 C ATOM 0 H PHE A 10 -1.133 15.842 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.819 17.844 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.715 17.702 -1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.372 16.436 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.768 19.748 0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.160 17.223 0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.815 21.447 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.214 18.922 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.039 21.036 2.795 1.00 0.00 H new ATOM 174 N ARG A 11 -0.326 15.877 2.035 1.00 0.00 N ATOM 175 CA ARG A 11 -0.259 14.955 3.162 1.00 0.00 C ATOM 176 C ARG A 11 -1.008 15.515 4.368 1.00 0.00 C ATOM 177 O ARG A 11 -1.857 14.842 4.950 1.00 0.00 O ATOM 178 CB ARG A 11 1.198 14.679 3.536 1.00 0.00 C ATOM 179 CG ARG A 11 1.386 13.414 4.358 1.00 0.00 C ATOM 180 CD ARG A 11 2.800 12.868 4.224 1.00 0.00 C ATOM 181 NE ARG A 11 3.168 12.018 5.354 1.00 0.00 N ATOM 182 CZ ARG A 11 3.403 12.482 6.576 1.00 0.00 C ATOM 183 NH1 ARG A 11 3.307 13.780 6.826 1.00 0.00 N ATOM 184 NH2 ARG A 11 3.732 11.644 7.552 1.00 0.00 N ATOM 0 H ARG A 11 0.508 16.450 1.909 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.734 14.020 2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.790 14.601 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.587 15.528 4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.174 13.625 5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.671 12.658 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.882 12.297 3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.503 13.697 4.150 1.00 0.00 H new ATOM 0 HE ARG A 11 3.249 11.014 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.052 14.426 6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.488 14.133 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.804 10.644 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.913 12.000 8.491 1.00 0.00 H new ATOM 198 N ASN A 12 -0.686 16.751 4.736 1.00 0.00 N ATOM 199 CA ASN A 12 -1.328 17.401 5.873 1.00 0.00 C ATOM 200 C ASN A 12 -2.845 17.407 5.711 1.00 0.00 C ATOM 201 O ASN A 12 -3.395 18.199 4.947 1.00 0.00 O ATOM 202 CB ASN A 12 -0.815 18.834 6.025 1.00 0.00 C ATOM 203 CG ASN A 12 0.607 18.886 6.549 1.00 0.00 C ATOM 204 OD1 ASN A 12 0.941 18.234 7.538 1.00 0.00 O ATOM 205 ND2 ASN A 12 1.454 19.665 5.885 1.00 0.00 N ATOM 0 H ASN A 12 0.015 17.322 4.264 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.078 16.836 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.862 19.338 5.060 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.470 19.381 6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.424 19.740 6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.134 20.188 5.070 1.00 0.00 H new ATOM 212 N GLU A 13 -3.516 16.517 6.437 1.00 0.00 N ATOM 213 CA GLU A 13 -4.970 16.421 6.373 1.00 0.00 C ATOM 214 C GLU A 13 -5.613 17.088 7.586 1.00 0.00 C ATOM 215 O GLU A 13 -6.406 16.472 8.298 1.00 0.00 O ATOM 216 CB GLU A 13 -5.402 14.955 6.293 1.00 0.00 C ATOM 217 CG GLU A 13 -6.770 14.757 5.661 1.00 0.00 C ATOM 218 CD GLU A 13 -7.135 13.294 5.507 1.00 0.00 C ATOM 219 OE1 GLU A 13 -6.213 12.461 5.375 1.00 0.00 O ATOM 220 OE2 GLU A 13 -8.344 12.981 5.518 1.00 0.00 O ATOM 0 H GLU A 13 -3.077 15.854 7.075 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.305 16.941 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.662 14.398 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.411 14.532 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.524 15.253 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.787 15.237 4.682 1.00 0.00 H new ATOM 227 N PHE A 14 -5.264 18.349 7.813 1.00 0.00 N ATOM 228 CA PHE A 14 -5.806 19.100 8.939 1.00 0.00 C ATOM 229 C PHE A 14 -7.327 19.186 8.855 1.00 0.00 C ATOM 230 O PHE A 14 -8.033 18.860 9.811 1.00 0.00 O ATOM 231 CB PHE A 14 -5.206 20.507 8.978 1.00 0.00 C ATOM 232 CG PHE A 14 -3.795 20.544 9.489 1.00 0.00 C ATOM 233 CD1 PHE A 14 -3.532 20.418 10.843 1.00 0.00 C ATOM 234 CD2 PHE A 14 -2.731 20.704 8.615 1.00 0.00 C ATOM 235 CE1 PHE A 14 -2.234 20.450 11.318 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.432 20.736 9.084 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.182 20.611 10.437 1.00 0.00 C ATOM 0 H PHE A 14 -4.609 18.873 7.233 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.540 18.573 9.855 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.232 20.932 7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.829 21.141 9.609 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.351 20.293 11.536 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.920 20.805 7.556 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.043 20.349 12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.611 20.859 8.393 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.167 20.639 10.805 1.00 0.00 H new ATOM 247 N ASP A 15 -7.826 19.628 7.706 1.00 0.00 N ATOM 248 CA ASP A 15 -9.263 19.756 7.495 1.00 0.00 C ATOM 249 C ASP A 15 -9.977 18.442 7.799 1.00 0.00 C ATOM 250 O ASP A 15 -11.129 18.437 8.233 1.00 0.00 O ATOM 251 CB ASP A 15 -9.553 20.187 6.056 1.00 0.00 C ATOM 252 CG ASP A 15 -8.875 19.293 5.037 1.00 0.00 C ATOM 253 OD1 ASP A 15 -7.696 19.546 4.715 1.00 0.00 O ATOM 254 OD2 ASP A 15 -9.525 18.338 4.561 1.00 0.00 O ATOM 0 H ASP A 15 -7.256 19.904 6.906 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.638 20.519 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.630 20.175 5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.219 21.215 5.913 1.00 0.00 H new ATOM 259 N HIS A 16 -9.285 17.332 7.568 1.00 0.00 N ATOM 260 CA HIS A 16 -9.852 16.012 7.817 1.00 0.00 C ATOM 261 C HIS A 16 -11.157 15.828 7.048 1.00 0.00 C ATOM 262 O HIS A 16 -12.147 15.336 7.592 1.00 0.00 O ATOM 263 CB HIS A 16 -10.096 15.812 9.313 1.00 0.00 C ATOM 264 CG HIS A 16 -10.157 14.373 9.723 1.00 0.00 C ATOM 265 ND1 HIS A 16 -9.072 13.525 9.656 1.00 0.00 N ATOM 266 CD2 HIS A 16 -11.182 13.634 10.209 1.00 0.00 C ATOM 267 CE1 HIS A 16 -9.427 12.325 10.081 1.00 0.00 C ATOM 268 NE2 HIS A 16 -10.702 12.364 10.424 1.00 0.00 N ATOM 0 H HIS A 16 -8.330 17.320 7.209 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.137 15.266 7.470 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.302 16.307 9.872 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.031 16.300 9.589 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.189 13.978 10.393 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.784 11.459 10.138 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.242 11.580 10.789 1.00 0.00 H new ATOM 276 N LEU A 17 -11.153 16.226 5.780 1.00 0.00 N ATOM 277 CA LEU A 17 -12.338 16.106 4.937 1.00 0.00 C ATOM 278 C LEU A 17 -12.695 14.641 4.705 1.00 0.00 C ATOM 279 O LEU A 17 -11.821 13.773 4.693 1.00 0.00 O ATOM 280 CB LEU A 17 -12.105 16.805 3.596 1.00 0.00 C ATOM 281 CG LEU A 17 -12.629 18.237 3.485 1.00 0.00 C ATOM 282 CD1 LEU A 17 -12.172 18.874 2.183 1.00 0.00 C ATOM 283 CD2 LEU A 17 -14.147 18.259 3.589 1.00 0.00 C ATOM 0 H LEU A 17 -10.343 16.634 5.313 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.171 16.586 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.034 16.815 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.570 16.207 2.812 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.220 18.818 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.555 19.893 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.083 18.893 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.550 18.294 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.502 19.286 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.576 17.662 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.452 17.844 4.550 1.00 0.00 H new ATOM 295 N LEU A 18 -13.982 14.374 4.519 1.00 0.00 N ATOM 296 CA LEU A 18 -14.455 13.014 4.285 1.00 0.00 C ATOM 297 C LEU A 18 -13.751 12.391 3.084 1.00 0.00 C ATOM 298 O LEU A 18 -13.069 11.374 3.210 1.00 0.00 O ATOM 299 CB LEU A 18 -15.968 13.011 4.061 1.00 0.00 C ATOM 300 CG LEU A 18 -16.800 13.785 5.083 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.279 13.703 4.741 1.00 0.00 C ATOM 302 CD2 LEU A 18 -16.545 13.256 6.488 1.00 0.00 C ATOM 0 H LEU A 18 -14.717 15.081 4.526 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.223 12.418 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.169 13.423 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.311 11.977 4.052 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.499 14.832 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.855 14.260 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.448 14.130 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.596 12.660 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.145 13.818 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.818 12.202 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.489 13.369 6.733 1.00 0.00 H new ATOM 314 N ILE A 19 -13.917 13.012 1.921 1.00 0.00 N ATOM 315 CA ILE A 19 -13.294 12.520 0.698 1.00 0.00 C ATOM 316 C ILE A 19 -11.780 12.423 0.853 1.00 0.00 C ATOM 317 O ILE A 19 -11.147 11.525 0.300 1.00 0.00 O ATOM 318 CB ILE A 19 -13.618 13.428 -0.504 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.103 13.330 -0.859 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.757 13.051 -1.700 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.525 11.953 -1.323 1.00 0.00 C ATOM 0 H ILE A 19 -14.477 13.856 1.800 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.703 11.527 0.513 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.396 14.460 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.696 13.608 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.329 14.053 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.998 13.701 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.704 13.167 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.951 12.014 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.590 11.958 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.959 11.680 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.331 11.228 -0.533 1.00 0.00 H new ATOM 333 N GLU A 20 -11.207 13.353 1.611 1.00 0.00 N ATOM 334 CA GLU A 20 -9.768 13.371 1.839 1.00 0.00 C ATOM 335 C GLU A 20 -9.306 12.077 2.504 1.00 0.00 C ATOM 336 O GLU A 20 -8.401 11.403 2.012 1.00 0.00 O ATOM 337 CB GLU A 20 -9.381 14.569 2.708 1.00 0.00 C ATOM 338 CG GLU A 20 -9.147 15.844 1.916 1.00 0.00 C ATOM 339 CD GLU A 20 -7.830 15.831 1.164 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.012 14.922 1.416 1.00 0.00 O ATOM 341 OE2 GLU A 20 -7.618 16.730 0.324 1.00 0.00 O ATOM 0 H GLU A 20 -11.718 14.103 2.077 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.275 13.459 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.169 14.746 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.476 14.326 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.964 15.982 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.165 16.697 2.594 1.00 0.00 H new ATOM 348 N GLN A 21 -9.936 11.737 3.625 1.00 0.00 N ATOM 349 CA GLN A 21 -9.589 10.525 4.357 1.00 0.00 C ATOM 350 C GLN A 21 -9.880 9.283 3.523 1.00 0.00 C ATOM 351 O GLN A 21 -9.116 8.318 3.540 1.00 0.00 O ATOM 352 CB GLN A 21 -10.362 10.462 5.676 1.00 0.00 C ATOM 353 CG GLN A 21 -9.817 9.432 6.652 1.00 0.00 C ATOM 354 CD GLN A 21 -8.321 9.557 6.858 1.00 0.00 C ATOM 355 OE1 GLN A 21 -7.772 10.660 6.851 1.00 0.00 O ATOM 356 NE2 GLN A 21 -7.652 8.425 7.043 1.00 0.00 N ATOM 0 H GLN A 21 -10.688 12.283 4.045 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.521 10.553 4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.340 11.444 6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.407 10.233 5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.322 9.543 7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.047 8.432 6.285 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.148 7.534 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.642 8.447 7.187 1.00 0.00 H new ATOM 365 N ALA A 22 -10.991 9.312 2.794 1.00 0.00 N ATOM 366 CA ALA A 22 -11.384 8.188 1.952 1.00 0.00 C ATOM 367 C ALA A 22 -10.365 7.954 0.841 1.00 0.00 C ATOM 368 O ALA A 22 -9.918 6.829 0.624 1.00 0.00 O ATOM 369 CB ALA A 22 -12.766 8.428 1.363 1.00 0.00 C ATOM 0 H ALA A 22 -11.635 10.102 2.769 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.417 7.293 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.047 7.581 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.491 8.539 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.752 9.336 0.760 1.00 0.00 H new ATOM 375 N ASN A 23 -10.005 9.024 0.139 1.00 0.00 N ATOM 376 CA ASN A 23 -9.040 8.934 -0.951 1.00 0.00 C ATOM 377 C ASN A 23 -7.693 8.431 -0.444 1.00 0.00 C ATOM 378 O ASN A 23 -7.048 7.597 -1.083 1.00 0.00 O ATOM 379 CB ASN A 23 -8.869 10.298 -1.622 1.00 0.00 C ATOM 380 CG ASN A 23 -9.659 10.412 -2.911 1.00 0.00 C ATOM 381 OD1 ASN A 23 -9.091 10.609 -3.984 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.977 10.288 -2.809 1.00 0.00 N ATOM 0 H ASN A 23 -10.367 9.963 0.305 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.421 8.222 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.187 11.081 -0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.813 10.467 -1.830 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.562 10.356 -3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.405 10.125 -1.898 1.00 0.00 H new ATOM 389 N HIS A 24 -7.271 8.942 0.708 1.00 0.00 N ATOM 390 CA HIS A 24 -5.999 8.544 1.301 1.00 0.00 C ATOM 391 C HIS A 24 -6.028 7.075 1.712 1.00 0.00 C ATOM 392 O HIS A 24 -5.038 6.359 1.562 1.00 0.00 O ATOM 393 CB HIS A 24 -5.684 9.419 2.516 1.00 0.00 C ATOM 394 CG HIS A 24 -4.221 9.502 2.829 1.00 0.00 C ATOM 395 ND1 HIS A 24 -3.734 9.975 4.029 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.137 9.168 2.091 1.00 0.00 C ATOM 397 CE1 HIS A 24 -2.414 9.931 4.015 1.00 0.00 C ATOM 398 NE2 HIS A 24 -2.027 9.444 2.850 1.00 0.00 N ATOM 0 H HIS A 24 -7.791 9.632 1.250 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.218 8.679 0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.067 10.424 2.339 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.212 9.025 3.384 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.144 8.760 1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.762 10.240 4.819 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.060 9.297 2.561 1.00 0.00 H new ATOM 406 N ALA A 25 -7.169 6.632 2.230 1.00 0.00 N ATOM 407 CA ALA A 25 -7.326 5.249 2.659 1.00 0.00 C ATOM 408 C ALA A 25 -7.265 4.294 1.472 1.00 0.00 C ATOM 409 O ALA A 25 -6.513 3.319 1.485 1.00 0.00 O ATOM 410 CB ALA A 25 -8.637 5.075 3.412 1.00 0.00 C ATOM 0 H ALA A 25 -7.998 7.212 2.362 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.500 5.007 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.741 4.037 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.641 5.722 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.469 5.342 2.760 1.00 0.00 H new ATOM 416 N ILE A 26 -8.063 4.580 0.448 1.00 0.00 N ATOM 417 CA ILE A 26 -8.099 3.746 -0.747 1.00 0.00 C ATOM 418 C ILE A 26 -6.760 3.773 -1.476 1.00 0.00 C ATOM 419 O ILE A 26 -6.349 2.779 -2.075 1.00 0.00 O ATOM 420 CB ILE A 26 -9.207 4.200 -1.717 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.942 5.629 -2.196 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.569 4.105 -1.045 1.00 0.00 C ATOM 423 CD1 ILE A 26 -10.005 6.159 -3.132 1.00 0.00 C ATOM 0 H ILE A 26 -8.693 5.382 0.422 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.310 2.729 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.204 3.540 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.871 6.287 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.976 5.661 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.342 4.429 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.757 3.073 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.585 4.745 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.752 7.176 -3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.061 5.524 -4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.970 6.159 -2.624 1.00 0.00 H new ATOM 435 N GLU A 27 -6.083 4.916 -1.419 1.00 0.00 N ATOM 436 CA GLU A 27 -4.789 5.069 -2.074 1.00 0.00 C ATOM 437 C GLU A 27 -3.738 4.179 -1.416 1.00 0.00 C ATOM 438 O GLU A 27 -3.076 3.385 -2.083 1.00 0.00 O ATOM 439 CB GLU A 27 -4.339 6.531 -2.025 1.00 0.00 C ATOM 440 CG GLU A 27 -4.804 7.352 -3.216 1.00 0.00 C ATOM 441 CD GLU A 27 -3.944 7.134 -4.446 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.659 5.961 -4.770 1.00 0.00 O ATOM 443 OE2 GLU A 27 -3.557 8.135 -5.083 1.00 0.00 O ATOM 0 H GLU A 27 -6.408 5.748 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.898 4.764 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.716 6.988 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.251 6.566 -1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.837 7.094 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.791 8.409 -2.951 1.00 0.00 H new ATOM 450 N LYS A 28 -3.589 4.321 -0.104 1.00 0.00 N ATOM 451 CA LYS A 28 -2.620 3.530 0.646 1.00 0.00 C ATOM 452 C LYS A 28 -2.901 2.038 0.496 1.00 0.00 C ATOM 453 O LYS A 28 -2.006 1.259 0.173 1.00 0.00 O ATOM 454 CB LYS A 28 -2.650 3.918 2.126 1.00 0.00 C ATOM 455 CG LYS A 28 -1.300 3.802 2.814 1.00 0.00 C ATOM 456 CD LYS A 28 -1.451 3.438 4.281 1.00 0.00 C ATOM 457 CE LYS A 28 -1.526 1.932 4.477 1.00 0.00 C ATOM 458 NZ LYS A 28 -0.179 1.331 4.683 1.00 0.00 N ATOM 0 H LYS A 28 -4.127 4.977 0.463 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.629 3.738 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.007 4.944 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.368 3.283 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.698 3.045 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.763 4.747 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.608 3.838 4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.352 3.903 4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.158 1.709 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.998 1.476 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.281 0.326 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.377 1.418 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.309 1.829 5.455 1.00 0.00 H new ATOM 472 N GLY A 29 -4.150 1.650 0.731 1.00 0.00 N ATOM 473 CA GLY A 29 -4.526 0.253 0.615 1.00 0.00 C ATOM 474 C GLY A 29 -4.222 -0.318 -0.756 1.00 0.00 C ATOM 475 O GLY A 29 -3.590 -1.368 -0.871 1.00 0.00 O ATOM 0 H GLY A 29 -4.908 2.277 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.997 -0.326 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.591 0.149 0.821 1.00 0.00 H new ATOM 479 N GLU A 30 -4.672 0.375 -1.798 1.00 0.00 N ATOM 480 CA GLU A 30 -4.445 -0.071 -3.167 1.00 0.00 C ATOM 481 C GLU A 30 -2.957 -0.290 -3.429 1.00 0.00 C ATOM 482 O GLU A 30 -2.552 -1.333 -3.943 1.00 0.00 O ATOM 483 CB GLU A 30 -5.005 0.950 -4.159 1.00 0.00 C ATOM 484 CG GLU A 30 -5.225 0.387 -5.553 1.00 0.00 C ATOM 485 CD GLU A 30 -4.803 1.351 -6.644 1.00 0.00 C ATOM 486 OE1 GLU A 30 -5.525 2.346 -6.868 1.00 0.00 O ATOM 487 OE2 GLU A 30 -3.753 1.112 -7.276 1.00 0.00 O ATOM 0 H GLU A 30 -5.196 1.247 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.963 -1.020 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.951 1.333 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.321 1.796 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.665 -0.542 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.279 0.140 -5.679 1.00 0.00 H new ATOM 494 N HIS A 31 -2.148 0.703 -3.072 1.00 0.00 N ATOM 495 CA HIS A 31 -0.705 0.620 -3.268 1.00 0.00 C ATOM 496 C HIS A 31 -0.137 -0.630 -2.603 1.00 0.00 C ATOM 497 O HIS A 31 0.601 -1.392 -3.224 1.00 0.00 O ATOM 498 CB HIS A 31 -0.021 1.867 -2.706 1.00 0.00 C ATOM 499 CG HIS A 31 1.472 1.831 -2.816 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.289 1.364 -1.808 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.296 2.207 -3.822 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.551 1.455 -2.190 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.582 1.963 -3.408 1.00 0.00 N ATOM 0 H HIS A 31 -2.467 1.573 -2.646 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.511 0.560 -4.339 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.395 2.745 -3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.297 1.982 -1.658 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.997 2.622 -4.773 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.411 1.163 -1.605 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.425 2.145 -3.953 1.00 0.00 H new ATOM 511 N GLN A 32 -0.487 -0.831 -1.336 1.00 0.00 N ATOM 512 CA GLN A 32 -0.010 -1.987 -0.588 1.00 0.00 C ATOM 513 C GLN A 32 -0.394 -3.287 -1.289 1.00 0.00 C ATOM 514 O GLN A 32 0.402 -4.224 -1.360 1.00 0.00 O ATOM 515 CB GLN A 32 -0.580 -1.973 0.832 1.00 0.00 C ATOM 516 CG GLN A 32 -0.350 -0.662 1.567 1.00 0.00 C ATOM 517 CD GLN A 32 0.609 -0.806 2.731 1.00 0.00 C ATOM 518 OE1 GLN A 32 1.573 -0.050 2.854 1.00 0.00 O ATOM 519 NE2 GLN A 32 0.349 -1.781 3.595 1.00 0.00 N ATOM 0 H GLN A 32 -1.098 -0.209 -0.807 1.00 0.00 H new ATOM 0 HA GLN A 32 1.077 -1.931 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.651 -2.172 0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.129 -2.784 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.041 0.078 0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.304 -0.282 1.932 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.461 -2.384 3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.960 -1.926 4.399 1.00 0.00 H new ATOM 528 N LEU A 33 -1.617 -3.335 -1.806 1.00 0.00 N ATOM 529 CA LEU A 33 -2.106 -4.520 -2.501 1.00 0.00 C ATOM 530 C LEU A 33 -1.291 -4.786 -3.763 1.00 0.00 C ATOM 531 O LEU A 33 -0.873 -5.916 -4.019 1.00 0.00 O ATOM 532 CB LEU A 33 -3.583 -4.349 -2.861 1.00 0.00 C ATOM 533 CG LEU A 33 -4.239 -5.530 -3.579 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.956 -5.472 -5.072 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.753 -6.847 -2.993 1.00 0.00 C ATOM 0 H LEU A 33 -2.287 -2.568 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.997 -5.375 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.139 -4.152 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.683 -3.465 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.317 -5.466 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.431 -6.320 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.354 -4.544 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.880 -5.510 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.230 -7.676 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.672 -6.919 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.009 -6.891 -1.934 1.00 0.00 H new ATOM 547 N LEU A 34 -1.066 -3.738 -4.548 1.00 0.00 N ATOM 548 CA LEU A 34 -0.299 -3.857 -5.782 1.00 0.00 C ATOM 549 C LEU A 34 1.095 -4.414 -5.506 1.00 0.00 C ATOM 550 O LEU A 34 1.572 -5.300 -6.215 1.00 0.00 O ATOM 551 CB LEU A 34 -0.189 -2.497 -6.472 1.00 0.00 C ATOM 552 CG LEU A 34 -1.361 -2.103 -7.372 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.293 -0.624 -7.721 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.373 -2.952 -8.635 1.00 0.00 C ATOM 0 H LEU A 34 -1.404 -2.796 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.824 -4.550 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.073 -1.731 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.722 -2.489 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.288 -2.284 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.135 -0.362 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.335 -0.032 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.360 -0.416 -8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.214 -2.658 -9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.442 -2.804 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.472 -4.004 -8.366 1.00 0.00 H new ATOM 566 N TYR A 35 1.741 -3.890 -4.470 1.00 0.00 N ATOM 567 CA TYR A 35 3.078 -4.334 -4.100 1.00 0.00 C ATOM 568 C TYR A 35 3.037 -5.722 -3.468 1.00 0.00 C ATOM 569 O TYR A 35 3.958 -6.522 -3.635 1.00 0.00 O ATOM 570 CB TYR A 35 3.719 -3.339 -3.130 1.00 0.00 C ATOM 571 CG TYR A 35 4.900 -3.904 -2.374 1.00 0.00 C ATOM 572 CD1 TYR A 35 4.724 -4.559 -1.161 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.191 -3.785 -2.873 1.00 0.00 C ATOM 574 CE1 TYR A 35 5.801 -5.076 -0.467 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.273 -4.301 -2.187 1.00 0.00 C ATOM 576 CZ TYR A 35 7.072 -4.945 -0.983 1.00 0.00 C ATOM 577 OH TYR A 35 8.147 -5.460 -0.296 1.00 0.00 O ATOM 0 H TYR A 35 1.359 -3.157 -3.872 1.00 0.00 H new ATOM 0 HA TYR A 35 3.679 -4.386 -5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.042 -2.459 -3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.967 -3.006 -2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.729 -4.666 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.351 -3.280 -3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.647 -5.580 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.270 -4.201 -2.590 1.00 0.00 H new ATOM 0 HH TYR A 35 8.970 -5.284 -0.797 1.00 0.00 H new ATOM 587 N LEU A 36 1.960 -6.002 -2.742 1.00 0.00 N ATOM 588 CA LEU A 36 1.795 -7.294 -2.084 1.00 0.00 C ATOM 589 C LEU A 36 1.581 -8.403 -3.109 1.00 0.00 C ATOM 590 O LEU A 36 1.956 -9.552 -2.880 1.00 0.00 O ATOM 591 CB LEU A 36 0.615 -7.247 -1.113 1.00 0.00 C ATOM 592 CG LEU A 36 0.891 -6.608 0.249 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.375 -5.979 0.811 1.00 0.00 C ATOM 594 CD2 LEU A 36 1.451 -7.639 1.217 1.00 0.00 C ATOM 0 H LEU A 36 1.188 -5.352 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 36 2.707 -7.510 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.200 -6.702 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.264 -8.266 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 36 1.634 -5.822 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.159 -5.530 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.734 -5.210 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.141 -6.746 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.642 -7.167 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.731 -8.447 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.383 -8.042 0.820 1.00 0.00 H new ATOM 606 N GLN A 37 0.978 -8.049 -4.239 1.00 0.00 N ATOM 607 CA GLN A 37 0.714 -9.015 -5.299 1.00 0.00 C ATOM 608 C GLN A 37 1.983 -9.778 -5.667 1.00 0.00 C ATOM 609 O GLN A 37 1.960 -10.997 -5.837 1.00 0.00 O ATOM 610 CB GLN A 37 0.154 -8.308 -6.535 1.00 0.00 C ATOM 611 CG GLN A 37 -1.346 -8.071 -6.472 1.00 0.00 C ATOM 612 CD GLN A 37 -2.147 -9.316 -6.801 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.844 -10.028 -7.758 1.00 0.00 O ATOM 614 NE2 GLN A 37 -3.177 -9.584 -6.007 1.00 0.00 N ATOM 0 H GLN A 37 0.663 -7.101 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.024 -9.728 -4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.660 -7.350 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.383 -8.903 -7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.614 -7.724 -5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.614 -7.276 -7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.392 -8.966 -5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.753 -10.408 -6.179 1.00 0.00 H new ATOM 623 N HIS A 38 3.090 -9.052 -5.788 1.00 0.00 N ATOM 624 CA HIS A 38 4.369 -9.660 -6.135 1.00 0.00 C ATOM 625 C HIS A 38 4.753 -10.735 -5.122 1.00 0.00 C ATOM 626 O HIS A 38 5.024 -11.878 -5.489 1.00 0.00 O ATOM 627 CB HIS A 38 5.463 -8.594 -6.205 1.00 0.00 C ATOM 628 CG HIS A 38 6.531 -8.895 -7.211 1.00 0.00 C ATOM 629 ND1 HIS A 38 6.399 -8.614 -8.555 1.00 0.00 N ATOM 630 CD2 HIS A 38 7.754 -9.455 -7.064 1.00 0.00 C ATOM 631 CE1 HIS A 38 7.495 -8.989 -9.190 1.00 0.00 C ATOM 632 NE2 HIS A 38 8.333 -9.503 -8.308 1.00 0.00 N ATOM 0 H HIS A 38 3.127 -8.042 -5.651 1.00 0.00 H new ATOM 0 HA HIS A 38 4.266 -10.129 -7.114 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.008 -7.634 -6.447 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.921 -8.490 -5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.193 -9.800 -6.140 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.675 -8.892 -10.250 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.259 -9.875 -8.517 1.00 0.00 H new ATOM 640 N GLN A 39 4.773 -10.359 -3.848 1.00 0.00 N ATOM 641 CA GLN A 39 5.125 -11.290 -2.782 1.00 0.00 C ATOM 642 C GLN A 39 4.216 -12.514 -2.807 1.00 0.00 C ATOM 643 O GLN A 39 4.654 -13.633 -2.533 1.00 0.00 O ATOM 644 CB GLN A 39 5.034 -10.600 -1.421 1.00 0.00 C ATOM 645 CG GLN A 39 5.871 -9.335 -1.323 1.00 0.00 C ATOM 646 CD GLN A 39 7.324 -9.567 -1.689 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.837 -10.680 -1.564 1.00 0.00 O ATOM 648 NE2 GLN A 39 7.996 -8.515 -2.143 1.00 0.00 N ATOM 0 H GLN A 39 4.550 -9.416 -3.528 1.00 0.00 H new ATOM 0 HA GLN A 39 6.151 -11.618 -2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.992 -10.353 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.353 -11.298 -0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.451 -8.574 -1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.814 -8.944 -0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.531 -7.612 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.977 -8.611 -2.404 1.00 0.00 H new ATOM 657 N LEU A 40 2.947 -12.296 -3.137 1.00 0.00 N ATOM 658 CA LEU A 40 1.975 -13.381 -3.198 1.00 0.00 C ATOM 659 C LEU A 40 2.328 -14.368 -4.305 1.00 0.00 C ATOM 660 O LEU A 40 2.294 -15.582 -4.103 1.00 0.00 O ATOM 661 CB LEU A 40 0.570 -12.821 -3.427 1.00 0.00 C ATOM 662 CG LEU A 40 -0.531 -13.852 -3.676 1.00 0.00 C ATOM 663 CD1 LEU A 40 -1.010 -14.451 -2.363 1.00 0.00 C ATOM 664 CD2 LEU A 40 -1.692 -13.221 -4.431 1.00 0.00 C ATOM 0 H LEU A 40 2.568 -11.377 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 40 1.998 -13.910 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.292 -12.225 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.605 -12.143 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.118 -14.654 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.793 -15.182 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.176 -14.940 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.405 -13.660 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.466 -13.970 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.103 -12.399 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.339 -12.842 -5.390 1.00 0.00 H new ATOM 676 N ASP A 41 2.669 -13.839 -5.475 1.00 0.00 N ATOM 677 CA ASP A 41 3.033 -14.672 -6.615 1.00 0.00 C ATOM 678 C ASP A 41 4.270 -15.509 -6.304 1.00 0.00 C ATOM 679 O ASP A 41 4.314 -16.703 -6.601 1.00 0.00 O ATOM 680 CB ASP A 41 3.285 -13.805 -7.849 1.00 0.00 C ATOM 681 CG ASP A 41 3.557 -14.630 -9.091 1.00 0.00 C ATOM 682 OD1 ASP A 41 2.602 -15.235 -9.623 1.00 0.00 O ATOM 683 OD2 ASP A 41 4.725 -14.672 -9.532 1.00 0.00 O ATOM 0 H ASP A 41 2.701 -12.836 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 41 2.202 -15.347 -6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.419 -13.166 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.134 -13.147 -7.660 1.00 0.00 H new ATOM 688 N GLU A 42 5.272 -14.874 -5.705 1.00 0.00 N ATOM 689 CA GLU A 42 6.510 -15.561 -5.355 1.00 0.00 C ATOM 690 C GLU A 42 6.282 -16.547 -4.213 1.00 0.00 C ATOM 691 O GLU A 42 6.833 -17.649 -4.210 1.00 0.00 O ATOM 692 CB GLU A 42 7.587 -14.548 -4.961 1.00 0.00 C ATOM 693 CG GLU A 42 8.838 -15.185 -4.379 1.00 0.00 C ATOM 694 CD GLU A 42 10.099 -14.419 -4.728 1.00 0.00 C ATOM 695 OE1 GLU A 42 10.546 -14.511 -5.891 1.00 0.00 O ATOM 696 OE2 GLU A 42 10.639 -13.727 -3.840 1.00 0.00 O ATOM 0 H GLU A 42 5.251 -13.886 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 42 6.846 -16.117 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.862 -13.963 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.171 -13.853 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.741 -15.243 -3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.925 -16.208 -4.746 1.00 0.00 H new ATOM 703 N LEU A 43 5.467 -16.143 -3.246 1.00 0.00 N ATOM 704 CA LEU A 43 5.165 -16.991 -2.097 1.00 0.00 C ATOM 705 C LEU A 43 4.305 -18.181 -2.508 1.00 0.00 C ATOM 706 O LEU A 43 4.388 -19.255 -1.914 1.00 0.00 O ATOM 707 CB LEU A 43 4.450 -16.180 -1.015 1.00 0.00 C ATOM 708 CG LEU A 43 4.242 -16.886 0.326 1.00 0.00 C ATOM 709 CD1 LEU A 43 3.069 -17.850 0.246 1.00 0.00 C ATOM 710 CD2 LEU A 43 5.508 -17.618 0.745 1.00 0.00 C ATOM 0 H LEU A 43 5.003 -15.235 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 43 6.106 -17.369 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.019 -15.267 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.475 -15.879 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 43 4.015 -16.132 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.937 -18.343 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.163 -17.300 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.266 -18.599 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.342 -18.114 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.765 -18.361 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.325 -16.904 0.844 1.00 0.00 H new ATOM 722 N ASN A 44 3.480 -17.983 -3.532 1.00 0.00 N ATOM 723 CA ASN A 44 2.606 -19.041 -4.025 1.00 0.00 C ATOM 724 C ASN A 44 3.402 -20.304 -4.337 1.00 0.00 C ATOM 725 O ASN A 44 3.016 -21.404 -3.945 1.00 0.00 O ATOM 726 CB ASN A 44 1.861 -18.573 -5.278 1.00 0.00 C ATOM 727 CG ASN A 44 0.370 -18.425 -5.041 1.00 0.00 C ATOM 728 OD1 ASN A 44 -0.427 -19.243 -5.501 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.014 -17.376 -4.322 1.00 0.00 N ATOM 0 H ASN A 44 3.399 -17.100 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 44 1.882 -19.273 -3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.271 -17.618 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.029 -19.286 -6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.004 -17.223 -4.131 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.682 -16.723 -3.960 1.00 0.00 H new ATOM 736 N GLU A 45 4.517 -20.136 -5.041 1.00 0.00 N ATOM 737 CA GLU A 45 5.367 -21.263 -5.405 1.00 0.00 C ATOM 738 C GLU A 45 6.427 -21.512 -4.336 1.00 0.00 C ATOM 739 O GLU A 45 6.637 -22.646 -3.907 1.00 0.00 O ATOM 740 CB GLU A 45 6.040 -21.009 -6.756 1.00 0.00 C ATOM 741 CG GLU A 45 5.115 -21.215 -7.944 1.00 0.00 C ATOM 742 CD GLU A 45 5.716 -20.717 -9.244 1.00 0.00 C ATOM 743 OE1 GLU A 45 6.766 -20.042 -9.190 1.00 0.00 O ATOM 744 OE2 GLU A 45 5.138 -21.001 -10.313 1.00 0.00 O ATOM 0 H GLU A 45 4.852 -19.231 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 45 4.737 -22.149 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.422 -19.988 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.899 -21.673 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.882 -22.276 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.174 -20.697 -7.761 1.00 0.00 H new ATOM 751 N ASN A 46 7.093 -20.443 -3.910 1.00 0.00 N ATOM 752 CA ASN A 46 8.132 -20.544 -2.892 1.00 0.00 C ATOM 753 C ASN A 46 7.616 -21.281 -1.659 1.00 0.00 C ATOM 754 O ASN A 46 8.349 -22.039 -1.023 1.00 0.00 O ATOM 755 CB ASN A 46 8.626 -19.151 -2.498 1.00 0.00 C ATOM 756 CG ASN A 46 9.900 -19.201 -1.675 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.478 -20.268 -1.470 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.342 -18.042 -1.200 1.00 0.00 N ATOM 0 H ASN A 46 6.931 -19.497 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 46 8.963 -21.112 -3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.801 -18.562 -3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.849 -18.640 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.194 -18.012 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.830 -17.182 -1.396 1.00 0.00 H new ATOM 765 N LYS A 47 6.350 -21.054 -1.328 1.00 0.00 N ATOM 766 CA LYS A 47 5.733 -21.696 -0.174 1.00 0.00 C ATOM 767 C LYS A 47 6.601 -21.529 1.069 1.00 0.00 C ATOM 768 O LYS A 47 6.691 -22.433 1.900 1.00 0.00 O ATOM 769 CB LYS A 47 5.504 -23.183 -0.454 1.00 0.00 C ATOM 770 CG LYS A 47 4.663 -23.446 -1.691 1.00 0.00 C ATOM 771 CD LYS A 47 3.179 -23.436 -1.369 1.00 0.00 C ATOM 772 CE LYS A 47 2.395 -24.324 -2.324 1.00 0.00 C ATOM 773 NZ LYS A 47 2.787 -25.754 -2.198 1.00 0.00 N ATOM 0 H LYS A 47 5.730 -20.429 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 47 4.772 -21.215 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.470 -23.675 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.017 -23.636 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.878 -22.689 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.937 -24.410 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.026 -23.777 -0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.800 -22.415 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.329 -24.221 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.561 -23.991 -3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.983 -26.359 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.590 -25.951 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.062 -25.953 -1.215 1.00 0.00 H new ATOM 787 N SER A 48 7.237 -20.368 1.191 1.00 0.00 N ATOM 788 CA SER A 48 8.100 -20.085 2.332 1.00 0.00 C ATOM 789 C SER A 48 7.275 -19.868 3.596 1.00 0.00 C ATOM 790 O SER A 48 6.358 -19.046 3.620 1.00 0.00 O ATOM 791 CB SER A 48 8.961 -18.851 2.052 1.00 0.00 C ATOM 792 OG SER A 48 10.261 -19.222 1.627 1.00 0.00 O ATOM 0 H SER A 48 7.171 -19.608 0.514 1.00 0.00 H new ATOM 0 HA SER A 48 8.750 -20.946 2.488 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.486 -18.238 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.030 -18.240 2.952 1.00 0.00 H new ATOM 0 HG SER A 48 10.791 -18.416 1.453 1.00 0.00 H new ATOM 798 N LYS A 49 7.606 -20.610 4.646 1.00 0.00 N ATOM 799 CA LYS A 49 6.899 -20.500 5.917 1.00 0.00 C ATOM 800 C LYS A 49 7.077 -19.111 6.520 1.00 0.00 C ATOM 801 O LYS A 49 6.127 -18.520 7.032 1.00 0.00 O ATOM 802 CB LYS A 49 7.400 -21.562 6.898 1.00 0.00 C ATOM 803 CG LYS A 49 8.906 -21.545 7.095 1.00 0.00 C ATOM 804 CD LYS A 49 9.479 -22.952 7.144 1.00 0.00 C ATOM 805 CE LYS A 49 10.894 -22.997 6.591 1.00 0.00 C ATOM 806 NZ LYS A 49 11.235 -24.341 6.047 1.00 0.00 N ATOM 0 H LYS A 49 8.361 -21.296 4.643 1.00 0.00 H new ATOM 0 HA LYS A 49 5.838 -20.662 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.914 -21.412 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.100 -22.547 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.374 -20.989 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.147 -21.021 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.478 -23.311 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.842 -23.626 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.001 -22.249 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.600 -22.734 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.208 -24.330 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.158 -25.051 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.577 -24.581 5.278 1.00 0.00 H new ATOM 820 N GLU A 50 8.301 -18.595 6.455 1.00 0.00 N ATOM 821 CA GLU A 50 8.603 -17.275 6.996 1.00 0.00 C ATOM 822 C GLU A 50 7.932 -16.183 6.169 1.00 0.00 C ATOM 823 O GLU A 50 7.213 -15.337 6.703 1.00 0.00 O ATOM 824 CB GLU A 50 10.116 -17.047 7.031 1.00 0.00 C ATOM 825 CG GLU A 50 10.859 -18.033 7.916 1.00 0.00 C ATOM 826 CD GLU A 50 12.297 -17.623 8.166 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.992 -17.274 7.188 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.729 -17.653 9.336 1.00 0.00 O ATOM 0 H GLU A 50 9.099 -19.071 6.033 1.00 0.00 H new ATOM 0 HA GLU A 50 8.213 -17.229 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.509 -17.115 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.314 -16.035 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.339 -18.122 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.842 -19.018 7.450 1.00 0.00 H new ATOM 835 N LEU A 51 8.172 -16.206 4.863 1.00 0.00 N ATOM 836 CA LEU A 51 7.592 -15.218 3.960 1.00 0.00 C ATOM 837 C LEU A 51 6.071 -15.197 4.079 1.00 0.00 C ATOM 838 O LEU A 51 5.449 -14.139 4.004 1.00 0.00 O ATOM 839 CB LEU A 51 7.998 -15.518 2.515 1.00 0.00 C ATOM 840 CG LEU A 51 7.393 -14.607 1.446 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.620 -13.145 1.798 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.981 -14.926 0.080 1.00 0.00 C ATOM 0 H LEU A 51 8.765 -16.898 4.405 1.00 0.00 H new ATOM 0 HA LEU A 51 7.973 -14.237 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.084 -15.457 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.720 -16.547 2.287 1.00 0.00 H new ATOM 0 HG LEU A 51 6.319 -14.787 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.182 -12.513 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.150 -12.924 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.690 -12.949 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.539 -14.268 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.060 -14.775 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.765 -15.963 -0.176 1.00 0.00 H new ATOM 854 N GLN A 52 5.482 -16.373 4.267 1.00 0.00 N ATOM 855 CA GLN A 52 4.034 -16.490 4.399 1.00 0.00 C ATOM 856 C GLN A 52 3.554 -15.863 5.704 1.00 0.00 C ATOM 857 O GLN A 52 2.713 -14.966 5.698 1.00 0.00 O ATOM 858 CB GLN A 52 3.612 -17.959 4.340 1.00 0.00 C ATOM 859 CG GLN A 52 2.151 -18.186 4.690 1.00 0.00 C ATOM 860 CD GLN A 52 1.528 -19.316 3.893 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.227 -19.164 2.709 1.00 0.00 O ATOM 862 NE2 GLN A 52 1.331 -20.458 4.542 1.00 0.00 N ATOM 0 H GLN A 52 5.984 -17.258 4.331 1.00 0.00 H new ATOM 0 HA GLN A 52 3.574 -15.954 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.801 -18.343 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.235 -18.535 5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.066 -18.407 5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.591 -17.268 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.596 -20.539 5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.915 -21.254 4.059 1.00 0.00 H new ATOM 871 N GLU A 53 4.096 -16.342 6.819 1.00 0.00 N ATOM 872 CA GLU A 53 3.720 -15.829 8.132 1.00 0.00 C ATOM 873 C GLU A 53 3.860 -14.311 8.182 1.00 0.00 C ATOM 874 O GLU A 53 3.083 -13.625 8.846 1.00 0.00 O ATOM 875 CB GLU A 53 4.585 -16.469 9.220 1.00 0.00 C ATOM 876 CG GLU A 53 3.936 -17.669 9.886 1.00 0.00 C ATOM 877 CD GLU A 53 4.945 -18.589 10.544 1.00 0.00 C ATOM 878 OE1 GLU A 53 6.080 -18.135 10.804 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.603 -19.763 10.799 1.00 0.00 O ATOM 0 H GLU A 53 4.796 -17.084 6.840 1.00 0.00 H new ATOM 0 HA GLU A 53 2.676 -16.086 8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.535 -16.776 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.811 -15.721 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.224 -17.323 10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.370 -18.230 9.143 1.00 0.00 H new ATOM 886 N LYS A 54 4.858 -13.791 7.475 1.00 0.00 N ATOM 887 CA LYS A 54 5.102 -12.354 7.438 1.00 0.00 C ATOM 888 C LYS A 54 4.010 -11.637 6.649 1.00 0.00 C ATOM 889 O LYS A 54 3.377 -10.709 7.152 1.00 0.00 O ATOM 890 CB LYS A 54 6.470 -12.064 6.814 1.00 0.00 C ATOM 891 CG LYS A 54 7.637 -12.397 7.727 1.00 0.00 C ATOM 892 CD LYS A 54 7.938 -11.256 8.685 1.00 0.00 C ATOM 893 CE LYS A 54 8.668 -10.119 7.987 1.00 0.00 C ATOM 894 NZ LYS A 54 9.320 -9.199 8.959 1.00 0.00 N ATOM 0 H LYS A 54 5.511 -14.344 6.920 1.00 0.00 H new ATOM 0 HA LYS A 54 5.090 -11.982 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.567 -12.635 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.521 -11.009 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.410 -13.300 8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.521 -12.612 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.007 -10.884 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.544 -11.625 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.421 -10.530 7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.964 -9.558 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.807 -8.438 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.599 -8.787 9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.011 -9.728 9.528 1.00 0.00 H new ATOM 908 N ILE A 55 3.796 -12.075 5.414 1.00 0.00 N ATOM 909 CA ILE A 55 2.779 -11.476 4.558 1.00 0.00 C ATOM 910 C ILE A 55 1.411 -11.498 5.232 1.00 0.00 C ATOM 911 O ILE A 55 0.635 -10.548 5.117 1.00 0.00 O ATOM 912 CB ILE A 55 2.682 -12.203 3.204 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.009 -12.100 2.449 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.546 -11.627 2.372 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.240 -13.234 1.475 1.00 0.00 C ATOM 0 H ILE A 55 4.312 -12.842 4.983 1.00 0.00 H new ATOM 0 HA ILE A 55 3.081 -10.443 4.386 1.00 0.00 H new ATOM 0 HB ILE A 55 2.471 -13.256 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.037 -11.155 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.827 -12.078 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.491 -12.152 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.605 -11.749 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.727 -10.567 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.199 -13.095 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.245 -14.181 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.443 -13.244 0.732 1.00 0.00 H new ATOM 927 N ILE A 56 1.122 -12.586 5.938 1.00 0.00 N ATOM 928 CA ILE A 56 -0.150 -12.730 6.633 1.00 0.00 C ATOM 929 C ILE A 56 -0.318 -11.654 7.701 1.00 0.00 C ATOM 930 O ILE A 56 -1.384 -11.051 7.826 1.00 0.00 O ATOM 931 CB ILE A 56 -0.278 -14.116 7.292 1.00 0.00 C ATOM 932 CG1 ILE A 56 -0.213 -15.217 6.233 1.00 0.00 C ATOM 933 CG2 ILE A 56 -1.575 -14.209 8.083 1.00 0.00 C ATOM 934 CD1 ILE A 56 0.311 -16.534 6.761 1.00 0.00 C ATOM 0 H ILE A 56 1.752 -13.381 6.043 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.933 -12.620 5.883 1.00 0.00 H new ATOM 0 HB ILE A 56 0.555 -14.252 7.981 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.210 -15.371 5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.424 -14.884 5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.651 -15.194 8.543 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.583 -13.444 8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.421 -14.055 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.329 -17.268 5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.320 -16.395 7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.339 -16.890 7.561 1.00 0.00 H new ATOM 946 N ARG A 57 0.742 -11.416 8.465 1.00 0.00 N ATOM 947 CA ARG A 57 0.713 -10.411 9.521 1.00 0.00 C ATOM 948 C ARG A 57 0.506 -9.017 8.940 1.00 0.00 C ATOM 949 O ARG A 57 -0.391 -8.286 9.358 1.00 0.00 O ATOM 950 CB ARG A 57 2.012 -10.452 10.329 1.00 0.00 C ATOM 951 CG ARG A 57 1.862 -11.112 11.690 1.00 0.00 C ATOM 952 CD ARG A 57 1.650 -12.612 11.561 1.00 0.00 C ATOM 953 NE ARG A 57 1.149 -13.203 12.800 1.00 0.00 N ATOM 954 CZ ARG A 57 0.586 -14.404 12.866 1.00 0.00 C ATOM 955 NH1 ARG A 57 0.453 -15.139 11.770 1.00 0.00 N ATOM 956 NH2 ARG A 57 0.154 -14.872 14.031 1.00 0.00 N ATOM 0 H ARG A 57 1.632 -11.905 8.373 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.124 -10.638 10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.769 -10.987 9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.377 -9.434 10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.752 -10.919 12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.019 -10.668 12.220 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.945 -12.810 10.754 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.591 -13.089 11.287 1.00 0.00 H new ATOM 0 HE ARG A 57 1.236 -12.664 13.661 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.784 -14.782 10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.020 -16.061 11.824 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.254 -14.309 14.876 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.278 -15.794 14.081 1.00 0.00 H new ATOM 970 N GLU A 58 1.344 -8.654 7.972 1.00 0.00 N ATOM 971 CA GLU A 58 1.253 -7.346 7.335 1.00 0.00 C ATOM 972 C GLU A 58 -0.096 -7.170 6.643 1.00 0.00 C ATOM 973 O GLU A 58 -0.764 -6.150 6.812 1.00 0.00 O ATOM 974 CB GLU A 58 2.385 -7.169 6.321 1.00 0.00 C ATOM 975 CG GLU A 58 2.856 -5.731 6.179 1.00 0.00 C ATOM 976 CD GLU A 58 3.377 -5.422 4.789 1.00 0.00 C ATOM 977 OE1 GLU A 58 3.502 -6.364 3.979 1.00 0.00 O ATOM 978 OE2 GLU A 58 3.662 -4.238 4.512 1.00 0.00 O ATOM 0 H GLU A 58 2.092 -9.247 7.613 1.00 0.00 H new ATOM 0 HA GLU A 58 1.346 -6.585 8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.229 -7.791 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.050 -7.530 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.031 -5.058 6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.642 -5.536 6.909 1.00 0.00 H new ATOM 985 N LEU A 59 -0.490 -8.171 5.863 1.00 0.00 N ATOM 986 CA LEU A 59 -1.758 -8.129 5.145 1.00 0.00 C ATOM 987 C LEU A 59 -2.933 -8.094 6.117 1.00 0.00 C ATOM 988 O LEU A 59 -3.982 -7.523 5.818 1.00 0.00 O ATOM 989 CB LEU A 59 -1.883 -9.340 4.219 1.00 0.00 C ATOM 990 CG LEU A 59 -2.897 -9.213 3.082 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.581 -8.002 2.217 1.00 0.00 C ATOM 992 CD2 LEU A 59 -2.916 -10.481 2.240 1.00 0.00 C ATOM 0 H LEU A 59 0.051 -9.022 5.712 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.778 -7.218 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.904 -9.543 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.150 -10.208 4.822 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.887 -9.075 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.313 -7.928 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.619 -7.099 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.584 -8.110 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.643 -10.373 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.927 -10.650 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.191 -11.330 2.866 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.749 -8.706 7.281 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.793 -8.742 8.299 1.00 0.00 C ATOM 1006 C ASP A 60 -4.022 -7.355 8.893 1.00 0.00 C ATOM 1007 O ASP A 60 -5.145 -6.853 8.907 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.421 -9.729 9.407 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.445 -9.758 10.524 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.652 -9.639 10.225 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.041 -9.899 11.697 1.00 0.00 O ATOM 0 H ASP A 60 -1.887 -9.184 7.544 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.717 -9.071 7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.323 -10.728 8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.448 -9.460 9.817 1.00 0.00 H new ATOM 1016 N VAL A 61 -2.949 -6.741 9.381 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.033 -5.413 9.976 1.00 0.00 C ATOM 1018 C VAL A 61 -3.515 -4.385 8.958 1.00 0.00 C ATOM 1019 O VAL A 61 -4.270 -3.472 9.293 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.671 -4.963 10.538 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -0.600 -5.025 9.458 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -1.772 -3.560 11.118 1.00 0.00 C ATOM 0 H VAL A 61 -2.011 -7.142 9.376 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.752 -5.476 10.793 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.385 -5.644 11.339 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.355 -4.704 9.874 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.511 -6.048 9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.876 -4.368 8.633 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.801 -3.258 11.511 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.080 -2.865 10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.507 -3.551 11.922 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.075 -4.541 7.714 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.464 -3.627 6.645 1.00 0.00 C ATOM 1034 C VAL A 62 -4.944 -3.770 6.312 1.00 0.00 C ATOM 1035 O VAL A 62 -5.695 -2.794 6.341 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.635 -3.869 5.370 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.174 -3.037 4.217 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.168 -3.560 5.624 1.00 0.00 C ATOM 0 H VAL A 62 -2.449 -5.291 7.421 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.272 -2.617 7.007 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.718 -4.921 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.576 -3.221 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.210 -3.313 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.123 -1.980 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.596 -3.736 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.062 -2.517 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.793 -4.205 6.419 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.358 -4.992 5.994 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.750 -5.264 5.654 1.00 0.00 C ATOM 1050 C CYS A 63 -7.669 -4.946 6.828 1.00 0.00 C ATOM 1051 O CYS A 63 -8.844 -4.630 6.641 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.919 -6.726 5.241 1.00 0.00 C ATOM 1053 SG CYS A 63 -6.940 -7.888 6.626 1.00 0.00 S ATOM 0 H CYS A 63 -4.749 -5.810 5.965 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.025 -4.623 4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.848 -6.829 4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.108 -6.997 4.565 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.178 -7.440 7.580 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.126 -5.033 8.038 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.898 -4.753 9.243 1.00 0.00 C ATOM 1061 C ALA A 64 -8.176 -3.261 9.384 1.00 0.00 C ATOM 1062 O ALA A 64 -9.329 -2.837 9.452 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.165 -5.274 10.471 1.00 0.00 C ATOM 0 H ALA A 64 -6.155 -5.295 8.210 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.856 -5.267 9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.752 -5.059 11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.024 -6.351 10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.193 -4.786 10.549 1.00 0.00 H new ATOM 1069 N MET A 65 -7.110 -2.467 9.426 1.00 0.00 N ATOM 1070 CA MET A 65 -7.240 -1.020 9.558 1.00 0.00 C ATOM 1071 C MET A 65 -8.015 -0.434 8.382 1.00 0.00 C ATOM 1072 O MET A 65 -8.755 0.538 8.537 1.00 0.00 O ATOM 1073 CB MET A 65 -5.859 -0.368 9.650 1.00 0.00 C ATOM 1074 CG MET A 65 -5.119 -0.323 8.322 1.00 0.00 C ATOM 1075 SD MET A 65 -3.481 0.415 8.464 1.00 0.00 S ATOM 1076 CE MET A 65 -2.556 -0.949 9.166 1.00 0.00 C ATOM 0 H MET A 65 -6.148 -2.801 9.371 1.00 0.00 H new ATOM 0 HA MET A 65 -7.793 -0.812 10.474 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.970 0.648 10.029 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.256 -0.915 10.375 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.024 -1.335 7.929 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.708 0.245 7.602 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.586 -0.592 9.510 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.108 -1.368 10.007 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.411 -1.719 8.408 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.840 -1.031 7.208 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.524 -0.568 6.007 1.00 0.00 C ATOM 1088 C ILE A 66 -10.014 -0.887 6.066 1.00 0.00 C ATOM 1089 O ILE A 66 -10.853 -0.033 5.780 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.924 -1.202 4.738 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.906 -0.255 4.101 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -9.025 -1.548 3.748 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.813 0.185 5.051 1.00 0.00 C ATOM 0 H ILE A 66 -7.231 -1.836 7.063 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.388 0.513 5.962 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.411 -2.122 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.452 -0.747 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.427 0.626 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.585 -1.995 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.716 -2.256 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.564 -0.642 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.127 0.855 4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.256 0.706 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.267 -0.689 5.407 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.335 -2.122 6.438 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.725 -2.552 6.536 1.00 0.00 C ATOM 1107 C GLU A 67 -12.491 -1.698 7.542 1.00 0.00 C ATOM 1108 O GLU A 67 -13.588 -1.217 7.256 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.799 -4.026 6.941 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.675 -4.987 5.771 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.464 -6.422 6.213 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -12.095 -6.833 7.210 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -10.670 -7.133 5.564 1.00 0.00 O ATOM 0 H GLU A 67 -9.652 -2.842 6.676 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.186 -2.428 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.006 -4.237 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.746 -4.207 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.576 -4.928 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.841 -4.679 5.140 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.905 -1.513 8.720 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.545 -0.718 9.751 1.00 0.00 C ATOM 1122 C GLY A 68 -12.675 0.741 9.361 1.00 0.00 C ATOM 1123 O GLY A 68 -13.755 1.322 9.453 1.00 0.00 O ATOM 0 H GLY A 68 -10.997 -1.900 8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.535 -1.125 9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.970 -0.794 10.674 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.568 1.336 8.925 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.562 2.736 8.520 1.00 0.00 C ATOM 1129 C ALA A 69 -12.525 2.975 7.362 1.00 0.00 C ATOM 1130 O ALA A 69 -13.391 3.847 7.434 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.155 3.168 8.137 1.00 0.00 C ATOM 0 H ALA A 69 -10.665 0.870 8.844 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.896 3.336 9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.165 4.216 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.490 3.042 8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.800 2.556 7.308 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.366 2.198 6.295 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.221 2.328 5.122 1.00 0.00 C ATOM 1139 C GLN A 70 -14.691 2.194 5.501 1.00 0.00 C ATOM 1140 O GLN A 70 -15.519 3.021 5.123 1.00 0.00 O ATOM 1141 CB GLN A 70 -12.853 1.273 4.077 1.00 0.00 C ATOM 1142 CG GLN A 70 -13.324 1.617 2.673 1.00 0.00 C ATOM 1143 CD GLN A 70 -13.654 0.386 1.851 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -12.975 0.080 0.871 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -14.702 -0.326 2.247 1.00 0.00 N ATOM 0 H GLN A 70 -11.653 1.472 6.219 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.064 3.320 4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.771 1.146 4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.284 0.316 4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.206 2.255 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.550 2.192 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.236 -0.035 3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.973 -1.164 1.733 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.010 1.143 6.252 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.381 0.919 6.670 1.00 0.00 C ATOM 1156 C GLY A 71 -16.963 2.105 7.415 1.00 0.00 C ATOM 1157 O GLY A 71 -18.041 2.590 7.078 1.00 0.00 O ATOM 0 H GLY A 71 -14.343 0.443 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.994 0.708 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.423 0.037 7.309 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.245 2.570 8.432 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.695 3.707 9.227 1.00 0.00 C ATOM 1163 C ALA A 72 -16.826 4.960 8.368 1.00 0.00 C ATOM 1164 O ALA A 72 -17.898 5.560 8.286 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.737 3.955 10.383 1.00 0.00 C ATOM 0 H ALA A 72 -15.350 2.178 8.725 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.680 3.470 9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.085 4.806 10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.697 3.070 11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.742 4.166 9.992 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.728 5.351 7.730 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.720 6.534 6.876 1.00 0.00 C ATOM 1173 C LEU A 73 -16.856 6.482 5.860 1.00 0.00 C ATOM 1174 O LEU A 73 -17.649 7.416 5.752 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.379 6.655 6.152 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.801 8.066 6.041 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.847 8.345 7.192 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -13.095 8.250 4.705 1.00 0.00 C ATOM 0 H LEU A 73 -14.832 4.866 7.788 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.865 7.409 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.653 6.026 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.494 6.251 5.146 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.623 8.779 6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.446 9.354 7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.382 8.256 8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.029 7.625 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.690 9.260 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.283 7.528 4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.806 8.094 3.893 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.931 5.380 5.119 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.971 5.205 4.113 1.00 0.00 C ATOM 1192 C GLU A 74 -19.357 5.397 4.724 1.00 0.00 C ATOM 1193 O GLU A 74 -20.203 6.092 4.162 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.870 3.815 3.479 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.801 3.713 2.404 1.00 0.00 C ATOM 1196 CD GLU A 74 -17.076 4.620 1.220 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -18.243 4.687 0.782 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -16.122 5.261 0.731 1.00 0.00 O ATOM 0 H GLU A 74 -16.284 4.596 5.197 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.825 5.961 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.660 3.083 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.835 3.551 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.833 3.967 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.735 2.681 2.059 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.579 4.776 5.878 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.861 4.877 6.565 1.00 0.00 C ATOM 1207 C ARG A 75 -21.112 6.306 7.040 1.00 0.00 C ATOM 1208 O ARG A 75 -22.259 6.729 7.184 1.00 0.00 O ATOM 1209 CB ARG A 75 -20.903 3.918 7.756 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.683 2.643 7.483 1.00 0.00 C ATOM 1211 CD ARG A 75 -23.177 2.912 7.392 1.00 0.00 C ATOM 1212 NE ARG A 75 -23.967 1.767 7.836 1.00 0.00 N ATOM 1213 CZ ARG A 75 -25.275 1.822 8.064 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -25.935 2.958 7.890 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -25.926 0.737 8.466 1.00 0.00 N ATOM 0 H ARG A 75 -18.888 4.198 6.357 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.645 4.603 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -19.883 3.657 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.348 4.431 8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -21.336 2.195 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -21.490 1.920 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.426 3.782 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.439 3.156 6.363 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.489 0.877 7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.439 3.794 7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.939 2.997 8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.422 -0.140 8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.930 0.780 8.641 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.032 7.042 7.282 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.137 8.422 7.741 1.00 0.00 C ATOM 1231 C GLU A 76 -20.571 9.343 6.605 1.00 0.00 C ATOM 1232 O GLU A 76 -21.552 10.077 6.725 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.799 8.895 8.313 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.925 10.079 9.257 1.00 0.00 C ATOM 1235 CD GLU A 76 -18.967 11.407 8.525 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -18.693 11.422 7.307 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -19.276 12.430 9.172 1.00 0.00 O ATOM 0 H GLU A 76 -19.076 6.706 7.168 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.894 8.460 8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.327 8.067 8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.137 9.166 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.830 9.968 9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.084 10.077 9.951 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.833 9.299 5.501 1.00 0.00 N ATOM 1245 CA LEU A 77 -20.140 10.129 4.341 1.00 0.00 C ATOM 1246 C LEU A 77 -21.480 9.735 3.729 1.00 0.00 C ATOM 1247 O LEU A 77 -22.199 10.575 3.187 1.00 0.00 O ATOM 1248 CB LEU A 77 -19.031 10.008 3.295 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.668 8.586 2.865 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.509 8.157 1.674 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -17.186 8.492 2.534 1.00 0.00 C ATOM 0 H LEU A 77 -19.018 8.697 5.385 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.205 11.165 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.331 10.569 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.134 10.488 3.688 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.879 7.911 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.236 7.143 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.564 8.185 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.330 8.835 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.945 7.473 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.951 9.179 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.599 8.756 3.414 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.811 8.452 3.819 1.00 0.00 N ATOM 1264 CA LYS A 78 -23.067 7.944 3.278 1.00 0.00 C ATOM 1265 C LYS A 78 -24.258 8.504 4.050 1.00 0.00 C ATOM 1266 O LYS A 78 -25.402 8.390 3.610 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.086 6.415 3.326 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.440 5.759 2.118 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.209 6.063 0.843 1.00 0.00 C ATOM 1270 CE LYS A 78 -22.286 6.564 -0.258 1.00 0.00 C ATOM 1271 NZ LYS A 78 -21.658 5.442 -1.009 1.00 0.00 N ATOM 0 H LYS A 78 -21.226 7.743 4.262 1.00 0.00 H new ATOM 0 HA LYS A 78 -23.145 8.269 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.572 6.082 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.119 6.075 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.413 6.110 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.395 4.680 2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -23.726 5.165 0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.973 6.813 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.851 7.191 -0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.507 7.190 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -20.711 5.727 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -21.578 4.611 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.246 5.204 -1.833 1.00 0.00 H new ATOM 1285 N ARG A 79 -23.980 9.108 5.200 1.00 0.00 N ATOM 1286 CA ARG A 79 -25.029 9.685 6.033 1.00 0.00 C ATOM 1287 C ARG A 79 -25.929 10.604 5.213 1.00 0.00 C ATOM 1288 O ARG A 79 -27.140 10.394 5.129 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.415 10.461 7.199 1.00 0.00 C ATOM 1290 CG ARG A 79 -25.425 10.866 8.260 1.00 0.00 C ATOM 1291 CD ARG A 79 -25.766 9.703 9.178 1.00 0.00 C ATOM 1292 NE ARG A 79 -26.264 10.156 10.474 1.00 0.00 N ATOM 1293 CZ ARG A 79 -26.674 9.332 11.433 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -26.645 8.020 11.242 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -27.114 9.820 12.585 1.00 0.00 N ATOM 0 H ARG A 79 -23.038 9.211 5.577 1.00 0.00 H new ATOM 0 HA ARG A 79 -25.635 8.870 6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -23.639 9.851 7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -23.928 11.356 6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -25.024 11.691 8.849 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -26.333 11.230 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -26.517 9.073 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -24.880 9.086 9.326 1.00 0.00 H new ATOM 0 HE ARG A 79 -26.299 11.160 10.653 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -26.307 7.641 10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -26.960 7.390 11.980 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -27.138 10.829 12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -27.428 9.187 13.320 1.00 0.00 H new ATOM 1309 N THR A 80 -25.329 11.626 4.609 1.00 0.00 N ATOM 1310 CA THR A 80 -26.077 12.579 3.797 1.00 0.00 C ATOM 1311 C THR A 80 -25.155 13.329 2.843 1.00 0.00 C ATOM 1312 O THR A 80 -24.107 13.834 3.246 1.00 0.00 O ATOM 1313 CB THR A 80 -26.827 13.598 4.675 1.00 0.00 C ATOM 1314 OG1 THR A 80 -26.085 13.853 5.873 1.00 0.00 O ATOM 1315 CG2 THR A 80 -28.215 13.086 5.032 1.00 0.00 C ATOM 0 H THR A 80 -24.328 11.815 4.667 1.00 0.00 H new ATOM 0 HA THR A 80 -26.802 12.004 3.221 1.00 0.00 H new ATOM 0 HB THR A 80 -26.932 14.524 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 80 -26.568 14.503 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 80 -28.726 13.822 5.652 1.00 0.00 H new ATOM 0 HG22 THR A 80 -28.788 12.920 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 80 -28.127 12.148 5.580 1.00 0.00 H new ATOM 1323 N ASP A 81 -25.551 13.400 1.577 1.00 0.00 N ATOM 1324 CA ASP A 81 -24.761 14.090 0.565 1.00 0.00 C ATOM 1325 C ASP A 81 -25.477 14.084 -0.782 1.00 0.00 C ATOM 1326 O ASP A 81 -26.033 13.066 -1.197 1.00 0.00 O ATOM 1327 CB ASP A 81 -23.384 13.438 0.429 1.00 0.00 C ATOM 1328 CG ASP A 81 -22.572 14.033 -0.704 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -22.057 15.159 -0.538 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -22.449 13.373 -1.757 1.00 0.00 O ATOM 0 H ASP A 81 -26.416 12.987 1.227 1.00 0.00 H new ATOM 0 HA ASP A 81 -24.634 15.125 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -22.836 13.553 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -23.507 12.368 0.261 1.00 0.00 H new ATOM 1335 N LEU A 82 -25.461 15.226 -1.460 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.110 15.353 -2.760 1.00 0.00 C ATOM 1337 C LEU A 82 -25.523 16.518 -3.551 1.00 0.00 C ATOM 1338 O LEU A 82 -25.722 17.680 -3.201 1.00 0.00 O ATOM 1339 CB LEU A 82 -27.617 15.550 -2.584 1.00 0.00 C ATOM 1340 CG LEU A 82 -28.042 16.745 -1.730 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -28.595 17.858 -2.605 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -29.070 16.320 -0.692 1.00 0.00 C ATOM 0 H LEU A 82 -25.006 16.077 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 82 -25.933 14.433 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -28.067 15.656 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -28.032 14.645 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 82 -27.163 17.124 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -28.892 18.699 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -27.829 18.182 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -29.462 17.492 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -29.361 17.183 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -29.948 15.914 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -28.638 15.558 -0.043 1.00 0.00 H new ATOM 1354 N ASN A 83 -24.799 16.197 -4.619 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.185 17.217 -5.460 1.00 0.00 C ATOM 1356 C ASN A 83 -23.412 16.579 -6.611 1.00 0.00 C ATOM 1357 O ASN A 83 -23.024 15.412 -6.540 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.250 18.098 -4.629 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.835 19.472 -4.365 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.091 19.839 -3.218 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -24.048 20.238 -5.428 1.00 0.00 N ATOM 0 H ASN A 83 -24.624 15.239 -4.922 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.980 17.835 -5.878 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.041 17.606 -3.679 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.298 18.205 -5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.439 21.173 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.820 19.892 -6.360 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.190 17.352 -7.668 1.00 0.00 N ATOM 1369 CA ILE A 84 -22.461 16.863 -8.832 1.00 0.00 C ATOM 1370 C ILE A 84 -21.047 16.437 -8.456 1.00 0.00 C ATOM 1371 O ILE A 84 -20.650 15.292 -8.681 1.00 0.00 O ATOM 1372 CB ILE A 84 -22.386 17.933 -9.938 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -23.777 18.502 -10.223 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -21.779 17.344 -11.203 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -23.985 19.894 -9.671 1.00 0.00 C ATOM 0 H ILE A 84 -23.504 18.319 -7.743 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.009 16.000 -9.209 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.746 18.746 -9.595 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.940 18.519 -11.301 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.527 17.835 -9.798 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -21.732 18.111 -11.976 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -20.773 16.982 -10.990 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.396 16.516 -11.551 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -24.993 20.234 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -23.855 19.880 -8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -23.258 20.574 -10.115 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.289 17.363 -7.879 1.00 0.00 N ATOM 1388 CA LEU A 85 -18.917 17.083 -7.468 1.00 0.00 C ATOM 1389 C LEU A 85 -18.880 15.993 -6.402 1.00 0.00 C ATOM 1390 O LEU A 85 -18.092 15.053 -6.489 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.252 18.354 -6.938 1.00 0.00 C ATOM 1392 CG LEU A 85 -16.777 18.537 -7.292 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -15.941 17.413 -6.699 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.594 18.601 -8.802 1.00 0.00 C ATOM 0 H LEU A 85 -20.601 18.315 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.367 16.731 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.805 19.214 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.348 18.365 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.436 19.480 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -14.894 17.561 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.046 17.415 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.283 16.457 -7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.537 18.732 -9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.953 17.675 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.160 19.442 -9.202 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.739 16.127 -5.396 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.805 15.153 -4.313 1.00 0.00 C ATOM 1408 C GLU A 86 -20.099 13.757 -4.854 1.00 0.00 C ATOM 1409 O GLU A 86 -19.495 12.773 -4.426 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.877 15.555 -3.299 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.699 16.961 -2.750 1.00 0.00 C ATOM 1412 CD GLU A 86 -19.595 17.047 -1.714 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -18.995 15.997 -1.400 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -19.332 18.160 -1.217 1.00 0.00 O ATOM 0 H GLU A 86 -20.398 16.900 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.835 15.135 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.857 15.479 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -20.866 14.846 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.475 17.642 -3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.636 17.295 -2.305 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.031 13.679 -5.798 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.408 12.404 -6.397 1.00 0.00 C ATOM 1423 C ARG A 87 -20.229 11.785 -7.143 1.00 0.00 C ATOM 1424 O ARG A 87 -19.939 10.598 -6.991 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.587 12.593 -7.353 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.943 12.496 -6.673 1.00 0.00 C ATOM 1427 CD ARG A 87 -25.037 12.128 -7.664 1.00 0.00 C ATOM 1428 NE ARG A 87 -26.369 12.262 -7.082 1.00 0.00 N ATOM 1429 CZ ARG A 87 -26.894 11.383 -6.236 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -26.202 10.312 -5.874 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -28.114 11.576 -5.749 1.00 0.00 N ATOM 0 H ARG A 87 -21.539 14.484 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.705 11.728 -5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -22.500 13.567 -7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.530 11.841 -8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -23.902 11.749 -5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -24.184 13.448 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -24.960 12.767 -8.544 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.890 11.102 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 87 -26.927 13.076 -7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -25.264 10.161 -6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -26.607 9.638 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -28.649 12.400 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -28.517 10.900 -5.099 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.552 12.597 -7.949 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.407 12.129 -8.720 1.00 0.00 C ATOM 1447 C PHE A 88 -17.322 11.576 -7.800 1.00 0.00 C ATOM 1448 O PHE A 88 -16.894 10.432 -7.947 1.00 0.00 O ATOM 1449 CB PHE A 88 -17.838 13.267 -9.569 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.542 12.921 -10.245 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.406 11.733 -10.947 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.459 13.783 -10.179 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.215 11.412 -11.570 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.266 13.467 -10.801 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.143 12.280 -11.496 1.00 0.00 C ATOM 0 H PHE A 88 -19.777 13.583 -8.085 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.746 11.328 -9.377 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.571 13.546 -10.327 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.686 14.141 -8.936 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.241 11.050 -11.008 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.548 14.712 -9.635 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.122 10.484 -12.114 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.430 14.148 -10.744 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.211 12.031 -11.981 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.883 12.397 -6.853 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.847 11.991 -5.909 1.00 0.00 C ATOM 1467 C ASN A 89 -16.275 10.750 -5.132 1.00 0.00 C ATOM 1468 O ASN A 89 -15.494 9.817 -4.951 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.535 13.132 -4.939 1.00 0.00 C ATOM 1470 CG ASN A 89 -14.933 14.337 -5.638 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.032 14.474 -6.857 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.302 15.214 -4.866 1.00 0.00 N ATOM 0 H ASN A 89 -17.228 13.347 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 89 -14.948 11.750 -6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.450 13.431 -4.428 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.845 12.777 -4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.874 16.043 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.245 15.059 -3.859 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.522 10.748 -4.673 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.055 9.624 -3.913 1.00 0.00 C ATOM 1481 C TYR A 90 -18.060 8.351 -4.754 1.00 0.00 C ATOM 1482 O TYR A 90 -17.659 7.285 -4.288 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.473 9.935 -3.430 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.515 10.678 -2.114 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.644 11.730 -1.860 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.426 10.328 -1.125 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.678 12.412 -0.659 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.468 11.006 0.079 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.592 12.047 0.306 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.631 12.724 1.504 1.00 0.00 O ATOM 0 H TYR A 90 -18.182 11.512 -4.814 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.410 9.464 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -19.984 10.527 -4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.026 9.001 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.928 12.020 -2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.113 9.513 -1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.992 13.226 -0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.183 10.722 0.837 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.467 12.514 1.971 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.516 8.472 -5.997 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.573 7.332 -6.903 1.00 0.00 C ATOM 1502 C GLU A 91 -17.193 6.702 -7.074 1.00 0.00 C ATOM 1503 O GLU A 91 -17.017 5.503 -6.862 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.121 7.762 -8.266 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.474 6.596 -9.175 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.500 6.967 -10.228 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -21.661 7.240 -9.854 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -20.144 6.985 -11.424 1.00 0.00 O ATOM 0 H GLU A 91 -18.851 9.348 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.241 6.589 -6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.009 8.375 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.382 8.389 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -18.570 6.236 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -19.859 5.774 -8.572 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.219 7.522 -7.458 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.855 7.045 -7.658 1.00 0.00 C ATOM 1517 C GLU A 92 -14.272 6.505 -6.356 1.00 0.00 C ATOM 1518 O GLU A 92 -13.550 5.509 -6.353 1.00 0.00 O ATOM 1519 CB GLU A 92 -13.972 8.172 -8.198 1.00 0.00 C ATOM 1520 CG GLU A 92 -12.675 7.682 -8.821 1.00 0.00 C ATOM 1521 CD GLU A 92 -11.824 8.815 -9.362 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -12.209 9.409 -10.390 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -10.773 9.108 -8.755 1.00 0.00 O ATOM 0 H GLU A 92 -16.349 8.518 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.883 6.235 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.533 8.737 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.738 8.860 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.105 7.128 -8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.904 6.987 -9.629 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.589 7.172 -5.251 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.097 6.758 -3.942 1.00 0.00 C ATOM 1532 C ALA A 93 -14.489 5.317 -3.638 1.00 0.00 C ATOM 1533 O ALA A 93 -13.636 4.484 -3.334 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.626 7.691 -2.862 1.00 0.00 C ATOM 0 H ALA A 93 -15.184 8.001 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.009 6.814 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.252 7.371 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.290 8.708 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.716 7.663 -2.858 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.785 5.031 -3.721 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.288 3.689 -3.453 1.00 0.00 C ATOM 1542 C GLN A 94 -15.780 2.698 -4.496 1.00 0.00 C ATOM 1543 O GLN A 94 -15.542 1.528 -4.192 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.818 3.690 -3.437 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.440 4.115 -4.757 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.948 3.958 -4.769 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.504 3.253 -5.613 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.620 4.613 -3.830 1.00 0.00 N ATOM 0 H GLN A 94 -16.504 5.710 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.920 3.379 -2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.171 2.690 -3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.164 4.359 -2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.185 5.156 -4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.010 3.522 -5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.120 5.186 -3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.637 4.543 -3.788 1.00 0.00 H new ATOM 1557 N THR A 95 -15.614 3.173 -5.726 1.00 0.00 N ATOM 1558 CA THR A 95 -15.136 2.330 -6.813 1.00 0.00 C ATOM 1559 C THR A 95 -13.724 1.826 -6.538 1.00 0.00 C ATOM 1560 O THR A 95 -13.459 0.625 -6.599 1.00 0.00 O ATOM 1561 CB THR A 95 -15.147 3.083 -8.157 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.476 3.521 -8.462 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.629 2.197 -9.279 1.00 0.00 C ATOM 0 H THR A 95 -15.804 4.139 -5.994 1.00 0.00 H new ATOM 0 HA THR A 95 -15.817 1.481 -6.876 1.00 0.00 H new ATOM 0 HB THR A 95 -14.491 3.949 -8.068 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.699 4.299 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.646 2.751 -10.218 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.607 1.890 -9.058 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.262 1.314 -9.367 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.820 2.750 -6.234 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.433 2.400 -5.948 1.00 0.00 C ATOM 1573 C LEU A 96 -11.337 1.545 -4.690 1.00 0.00 C ATOM 1574 O LEU A 96 -10.635 0.533 -4.666 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.590 3.666 -5.784 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.362 4.490 -7.052 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.571 5.749 -6.735 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.645 3.658 -8.106 1.00 0.00 C ATOM 0 H LEU A 96 -13.022 3.748 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.049 1.822 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.070 4.304 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.618 3.382 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.333 4.786 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.418 6.323 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.123 6.354 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.604 5.475 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.491 4.260 -9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.680 3.332 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.250 2.786 -8.355 1.00 0.00 H new ATOM 1590 N SER A 97 -12.047 1.956 -3.644 1.00 0.00 N ATOM 1591 CA SER A 97 -12.040 1.228 -2.380 1.00 0.00 C ATOM 1592 C SER A 97 -12.554 -0.196 -2.572 1.00 0.00 C ATOM 1593 O SER A 97 -11.953 -1.156 -2.088 1.00 0.00 O ATOM 1594 CB SER A 97 -12.897 1.957 -1.343 1.00 0.00 C ATOM 1595 OG SER A 97 -14.125 1.282 -1.131 1.00 0.00 O ATOM 0 H SER A 97 -12.635 2.790 -3.647 1.00 0.00 H new ATOM 0 HA SER A 97 -11.012 1.180 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.351 2.030 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.092 2.976 -1.679 1.00 0.00 H new ATOM 0 HG SER A 97 -13.971 0.490 -0.575 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.671 -0.325 -3.279 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.268 -1.630 -3.537 1.00 0.00 C ATOM 1603 C LYS A 98 -13.285 -2.543 -4.263 1.00 0.00 C ATOM 1604 O LYS A 98 -13.090 -3.695 -3.872 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.545 -1.476 -4.365 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.768 -1.122 -3.537 1.00 0.00 C ATOM 1607 CD LYS A 98 -17.901 -0.605 -4.409 1.00 0.00 C ATOM 1608 CE LYS A 98 -19.050 -0.070 -3.569 1.00 0.00 C ATOM 1609 NZ LYS A 98 -19.728 -1.151 -2.803 1.00 0.00 N ATOM 0 H LYS A 98 -14.182 0.459 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.518 -2.083 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.389 -0.702 -5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.736 -2.406 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.103 -2.001 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.502 -0.366 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.528 0.184 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.262 -1.407 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.674 0.684 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.774 0.425 -4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -20.516 -0.748 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.095 -1.866 -3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.048 -1.595 -2.154 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.670 -2.023 -5.320 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.707 -2.792 -6.097 1.00 0.00 C ATOM 1625 C ILE A 99 -10.571 -3.301 -5.216 1.00 0.00 C ATOM 1626 O ILE A 99 -10.300 -4.502 -5.165 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.115 -1.955 -7.246 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.222 -1.513 -8.207 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.051 -2.750 -7.987 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.924 -0.208 -8.912 1.00 0.00 C ATOM 0 H ILE A 99 -12.822 -1.072 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.246 -3.641 -6.517 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.648 -1.065 -6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.377 -2.292 -8.953 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.155 -1.412 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.642 -2.145 -8.796 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.252 -3.020 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.495 -3.656 -8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.751 0.044 -9.577 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.798 0.584 -8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.008 -0.310 -9.494 1.00 0.00 H new ATOM 1642 N LEU A 100 -9.908 -2.380 -4.523 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.802 -2.736 -3.643 1.00 0.00 C ATOM 1644 C LEU A 100 -9.252 -3.730 -2.576 1.00 0.00 C ATOM 1645 O LEU A 100 -8.468 -4.560 -2.116 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.229 -1.482 -2.978 1.00 0.00 C ATOM 1647 CG LEU A 100 -8.744 -1.174 -1.572 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -7.930 -1.925 -0.530 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -8.702 0.324 -1.305 1.00 0.00 C ATOM 0 H LEU A 100 -10.118 -1.382 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.027 -3.206 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.145 -1.582 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.443 -0.626 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.780 -1.506 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.311 -1.694 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.010 -2.997 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.885 -1.623 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.072 0.525 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.676 0.680 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.328 0.841 -2.032 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.519 -3.639 -2.187 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.075 -4.531 -1.176 1.00 0.00 C ATOM 1663 C LEU A 101 -11.134 -5.966 -1.690 1.00 0.00 C ATOM 1664 O LEU A 101 -10.675 -6.895 -1.024 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.474 -4.066 -0.770 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.916 -4.425 0.649 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -12.915 -5.932 0.842 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -12.013 -3.753 1.674 1.00 0.00 C ATOM 0 H LEU A 101 -11.181 -2.956 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.422 -4.502 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.521 -2.983 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.193 -4.489 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.933 -4.061 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.232 -6.169 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.602 -6.390 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.910 -6.319 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -12.342 -4.019 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.986 -4.087 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -12.064 -2.671 1.550 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.699 -6.141 -2.880 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.815 -7.462 -3.486 1.00 0.00 C ATOM 1682 C LYS A 102 -10.439 -8.086 -3.699 1.00 0.00 C ATOM 1683 O LYS A 102 -10.204 -9.234 -3.323 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.557 -7.370 -4.821 1.00 0.00 C ATOM 1685 CG LYS A 102 -12.750 -8.713 -5.503 1.00 0.00 C ATOM 1686 CD LYS A 102 -12.911 -8.557 -7.007 1.00 0.00 C ATOM 1687 CE LYS A 102 -11.582 -8.253 -7.680 1.00 0.00 C ATOM 1688 NZ LYS A 102 -11.590 -8.634 -9.119 1.00 0.00 N ATOM 0 H LYS A 102 -12.084 -5.384 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.381 -8.098 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.532 -6.913 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.005 -6.709 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.895 -9.355 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.630 -9.208 -5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.332 -9.471 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.619 -7.755 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.363 -7.189 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.784 -8.789 -7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.667 -8.411 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.774 -9.654 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.335 -8.104 -9.614 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.536 -7.322 -4.301 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.182 -7.799 -4.562 1.00 0.00 C ATOM 1704 C ASP A 103 -7.497 -8.224 -3.267 1.00 0.00 C ATOM 1705 O ASP A 103 -6.904 -9.301 -3.190 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.360 -6.712 -5.255 1.00 0.00 C ATOM 1707 CG ASP A 103 -6.291 -7.286 -6.166 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -5.411 -8.013 -5.661 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.335 -7.007 -7.382 1.00 0.00 O ATOM 0 H ASP A 103 -9.716 -6.369 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.249 -8.667 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.025 -6.074 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.890 -6.080 -4.501 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.582 -7.371 -2.252 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.970 -7.657 -0.959 1.00 0.00 C ATOM 1716 C LEU A 104 -7.483 -8.977 -0.393 1.00 0.00 C ATOM 1717 O LEU A 104 -6.703 -9.830 0.029 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.254 -6.521 0.025 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.325 -6.434 1.236 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -4.887 -6.218 0.792 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -6.771 -5.317 2.170 1.00 0.00 C ATOM 0 H LEU A 104 -8.069 -6.476 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.893 -7.741 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.202 -5.577 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.278 -6.626 0.384 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.377 -7.378 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.241 -6.159 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.571 -7.051 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.817 -5.289 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.099 -5.269 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.748 -4.366 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.786 -5.515 2.516 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.802 -9.140 -0.390 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.422 -10.357 0.120 1.00 0.00 C ATOM 1735 C LYS A 105 -8.870 -11.588 -0.592 1.00 0.00 C ATOM 1736 O LYS A 105 -8.494 -12.570 0.048 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.940 -10.292 -0.053 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.653 -9.579 1.083 1.00 0.00 C ATOM 1739 CD LYS A 105 -13.128 -9.380 0.779 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.957 -9.322 2.053 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.174 -10.675 2.637 1.00 0.00 N ATOM 0 H LYS A 105 -9.462 -8.444 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.187 -10.437 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.169 -9.784 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.331 -11.306 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.545 -10.157 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.183 -8.611 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.263 -8.458 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.484 -10.195 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.456 -8.687 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.921 -8.861 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.799 -10.600 3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.614 -11.293 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.261 -11.078 2.928 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.824 -11.527 -1.919 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.316 -12.638 -2.716 1.00 0.00 C ATOM 1757 C GLU A 106 -6.894 -13.001 -2.302 1.00 0.00 C ATOM 1758 O GLU A 106 -6.575 -14.171 -2.091 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.352 -12.284 -4.205 1.00 0.00 C ATOM 1760 CG GLU A 106 -7.652 -13.302 -5.089 1.00 0.00 C ATOM 1761 CD GLU A 106 -6.198 -12.952 -5.343 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -5.882 -11.747 -5.423 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -5.376 -13.886 -5.463 1.00 0.00 O ATOM 0 H GLU A 106 -9.132 -10.722 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.957 -13.501 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.391 -12.192 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.887 -11.309 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.709 -14.285 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.177 -13.372 -6.042 1.00 0.00 H new ATOM 1770 N THR A 107 -6.041 -11.988 -2.187 1.00 0.00 N ATOM 1771 CA THR A 107 -4.651 -12.198 -1.800 1.00 0.00 C ATOM 1772 C THR A 107 -4.557 -12.935 -0.469 1.00 0.00 C ATOM 1773 O THR A 107 -3.871 -13.950 -0.357 1.00 0.00 O ATOM 1774 CB THR A 107 -3.890 -10.864 -1.690 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.811 -9.769 -1.740 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.872 -10.728 -2.812 1.00 0.00 C ATOM 0 H THR A 107 -6.289 -11.013 -2.356 1.00 0.00 H new ATOM 0 HA THR A 107 -4.194 -12.804 -2.582 1.00 0.00 H new ATOM 0 HB THR A 107 -3.361 -10.850 -0.737 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.230 -9.654 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.347 -9.778 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.155 -11.547 -2.754 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.384 -10.762 -3.774 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.253 -12.417 0.539 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.248 -13.027 1.864 1.00 0.00 C ATOM 1786 C GLU A 108 -5.643 -14.499 1.787 1.00 0.00 C ATOM 1787 O GLU A 108 -4.973 -15.362 2.353 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.201 -12.279 2.798 1.00 0.00 C ATOM 1789 CG GLU A 108 -5.534 -11.762 4.062 1.00 0.00 C ATOM 1790 CD GLU A 108 -4.639 -12.797 4.714 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -4.928 -14.004 4.574 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -3.650 -12.401 5.367 1.00 0.00 O ATOM 0 H GLU A 108 -5.827 -11.577 0.463 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.236 -12.961 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.640 -11.439 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.020 -12.943 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.945 -10.877 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.301 -11.451 4.772 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.736 -14.776 1.083 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.222 -16.142 0.932 1.00 0.00 C ATOM 1801 C GLN A 109 -6.129 -17.051 0.380 1.00 0.00 C ATOM 1802 O GLN A 109 -5.827 -18.097 0.955 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.443 -16.174 0.011 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.450 -17.254 0.372 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.532 -16.752 1.307 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -11.317 -15.871 0.951 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -10.582 -17.311 2.510 1.00 0.00 N ATOM 0 H GLN A 109 -7.302 -14.072 0.608 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.510 -16.508 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.937 -15.203 0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.110 -16.328 -1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.911 -17.636 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.929 -18.089 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.912 -18.037 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.290 -17.014 3.181 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.538 -16.646 -0.738 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.477 -17.421 -1.369 1.00 0.00 C ATOM 1818 C LYS A 110 -3.362 -17.726 -0.375 1.00 0.00 C ATOM 1819 O LYS A 110 -2.922 -18.869 -0.249 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.911 -16.666 -2.573 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.577 -17.031 -3.889 1.00 0.00 C ATOM 1822 CD LYS A 110 -6.047 -16.651 -3.893 1.00 0.00 C ATOM 1823 CE LYS A 110 -6.778 -17.270 -5.076 1.00 0.00 C ATOM 1824 NZ LYS A 110 -6.612 -16.461 -6.315 1.00 0.00 N ATOM 0 H LYS A 110 -5.776 -15.783 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.904 -18.364 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.022 -15.595 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.842 -16.868 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.067 -16.525 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.477 -18.102 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.512 -16.980 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.144 -15.566 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.402 -18.279 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.838 -17.361 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.543 -16.292 -6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.170 -15.550 -6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.007 -16.975 -6.987 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.906 -16.696 0.331 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.843 -16.853 1.317 1.00 0.00 C ATOM 1840 C VAL A 111 -2.207 -17.910 2.353 1.00 0.00 C ATOM 1841 O VAL A 111 -1.384 -18.752 2.714 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.543 -15.525 2.036 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.466 -15.721 3.091 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -1.133 -14.458 1.034 1.00 0.00 C ATOM 0 H VAL A 111 -3.257 -15.743 0.238 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.953 -17.172 0.775 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.451 -15.189 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.267 -14.772 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.805 -16.452 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.447 -16.080 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.925 -13.526 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.238 -14.783 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.941 -14.299 0.320 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.446 -17.861 2.829 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.922 -18.815 3.824 1.00 0.00 C ATOM 1856 C LYS A 112 -4.040 -20.213 3.225 1.00 0.00 C ATOM 1857 O LYS A 112 -3.906 -21.214 3.930 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.278 -18.372 4.379 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.223 -17.056 5.138 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.560 -16.335 5.100 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.661 -17.166 5.741 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.408 -17.396 7.191 1.00 0.00 N ATOM 0 H LYS A 112 -4.140 -17.170 2.542 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.196 -18.846 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.985 -18.278 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.662 -19.148 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.939 -17.244 6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.452 -16.418 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.474 -15.380 5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.825 -16.113 4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.618 -16.660 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.737 -18.125 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.253 -17.816 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.602 -18.043 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.192 -16.490 7.654 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.288 -20.274 1.922 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.421 -21.550 1.227 1.00 0.00 C ATOM 1878 C ASP A 113 -3.081 -22.275 1.164 1.00 0.00 C ATOM 1879 O ASP A 113 -3.000 -23.476 1.427 1.00 0.00 O ATOM 1880 CB ASP A 113 -4.966 -21.332 -0.184 1.00 0.00 C ATOM 1881 CG ASP A 113 -6.361 -20.741 -0.182 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -7.141 -21.065 0.737 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -6.673 -19.952 -1.100 1.00 0.00 O ATOM 0 H ASP A 113 -4.401 -19.455 1.325 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.123 -22.170 1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.295 -20.670 -0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.979 -22.283 -0.716 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.032 -21.539 0.811 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.695 -22.113 0.713 1.00 0.00 C ATOM 1890 C ILE A 114 -0.277 -22.763 2.027 1.00 0.00 C ATOM 1891 O ILE A 114 -0.305 -22.128 3.081 1.00 0.00 O ATOM 1892 CB ILE A 114 0.347 -21.047 0.325 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.288 -20.768 -1.177 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.742 -21.499 0.731 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.401 -19.467 -1.524 1.00 0.00 C ATOM 0 H ILE A 114 -2.082 -20.545 0.588 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.734 -22.873 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 114 0.116 -20.123 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.303 -20.750 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.233 -21.588 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.468 -20.736 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.775 -21.652 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.984 -22.433 0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.406 -19.335 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.427 -19.489 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.133 -18.638 -1.060 1.00 0.00 H new ATOM 1907 N GLN A 115 0.111 -24.032 1.956 1.00 0.00 N ATOM 1908 CA GLN A 115 0.537 -24.768 3.141 1.00 0.00 C ATOM 1909 C GLN A 115 2.027 -24.571 3.399 1.00 0.00 C ATOM 1910 O GLN A 115 2.845 -24.670 2.484 1.00 0.00 O ATOM 1911 CB GLN A 115 0.227 -26.257 2.982 1.00 0.00 C ATOM 1912 CG GLN A 115 0.967 -26.912 1.826 1.00 0.00 C ATOM 1913 CD GLN A 115 0.286 -28.175 1.338 1.00 0.00 C ATOM 1914 OE1 GLN A 115 -0.814 -28.511 1.778 1.00 0.00 O ATOM 1915 NE2 GLN A 115 0.938 -28.883 0.423 1.00 0.00 N ATOM 0 H GLN A 115 0.139 -24.572 1.091 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.015 -24.379 3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.484 -26.774 3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.846 -26.383 2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.044 -26.204 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.984 -27.150 2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.848 -28.567 0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 115 0.529 -29.743 0.057 1.00 0.00 H new ATOM 1924 N THR A 116 2.374 -24.289 4.651 1.00 0.00 N ATOM 1925 CA THR A 116 3.765 -24.077 5.029 1.00 0.00 C ATOM 1926 C THR A 116 4.031 -24.566 6.448 1.00 0.00 C ATOM 1927 O THR A 116 3.109 -24.961 7.160 1.00 0.00 O ATOM 1928 CB THR A 116 4.154 -22.590 4.929 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.348 -21.812 5.821 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.981 -22.080 3.506 1.00 0.00 C ATOM 0 H THR A 116 1.710 -24.202 5.420 1.00 0.00 H new ATOM 0 HA THR A 116 4.373 -24.652 4.330 1.00 0.00 H new ATOM 0 HB THR A 116 5.203 -22.492 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.602 -20.868 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.262 -21.028 3.460 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.617 -22.655 2.833 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.940 -22.191 3.204 1.00 0.00 H new ATOM 1938 N GLN A 117 5.297 -24.535 6.853 1.00 0.00 N ATOM 1939 CA GLN A 117 5.682 -24.976 8.188 1.00 0.00 C ATOM 1940 C GLN A 117 4.923 -24.198 9.258 1.00 0.00 C ATOM 1941 O GLN A 117 4.681 -24.705 10.355 1.00 0.00 O ATOM 1942 CB GLN A 117 7.189 -24.805 8.390 1.00 0.00 C ATOM 1943 CG GLN A 117 7.736 -25.582 9.575 1.00 0.00 C ATOM 1944 CD GLN A 117 9.107 -25.099 10.008 1.00 0.00 C ATOM 1945 OE1 GLN A 117 9.228 -24.254 10.894 1.00 0.00 O ATOM 1946 NE2 GLN A 117 10.148 -25.637 9.383 1.00 0.00 N ATOM 0 H GLN A 117 6.072 -24.209 6.276 1.00 0.00 H new ATOM 0 HA GLN A 117 5.427 -26.032 8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.707 -25.125 7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.411 -23.747 8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.043 -25.495 10.412 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.793 -26.639 9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.000 -26.335 8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.095 -25.352 9.632 1.00 0.00 H new TER 1955 GLN A 117