USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1036 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.36) USER MOD Set 2.1: A 53 ASN : amide:sc= -0.427 K(o=-0.81,f=-0.18) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.384 K(o=-0.81,f=-0.18) USER MOD Single : A 1 MET CE :methyl -173:sc= -0.553 (180deg=-0.677) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.84 K(o=-2.8,f=-7.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00678) USER MOD Single : A 30 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.07) USER MOD Single : A 35 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.0086) USER MOD Single : A 40 HIS : no HE2:sc= -0.0805 X(o=-0.08,f=-0.45) USER MOD Single : A 43 MET CE :methyl -108:sc= -2.6! (180deg=-6.71!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= -0.726 (180deg=-0.739) USER MOD Single : A 70 TYR OH : rot 150:sc= -0.675 USER MOD Single : A 71 ASN : amide:sc= -5.95! C(o=-6!,f=-15!) USER MOD Single : A 72 ASN : amide:sc= -1.87 X(o=-1.9,f=-1.6) USER MOD Single : A 75 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.45) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00252) USER MOD Single : A 89 GLN : amide:sc= -7.5! C(o=-7.5!,f=-11!) USER MOD Single : A 92 SER OG : rot -40:sc= 0.922 USER MOD Single : A 94 MET CE :methyl 139:sc= -3.04! (180deg=-5.47!) USER MOD Single : A 95 MET CE :methyl -157:sc= -3.83! (180deg=-5.21!) USER MOD Single : A 96 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.8!) USER MOD Single : A 97 TYR OH : rot 6:sc= 0.58 USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.69 USER MOD Single : A 103 ASN : amide:sc= -0.913 K(o=-0.91,f=-8.4!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -107:sc= 1.23 (180deg=-0.902) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -131:sc= -0.763 (180deg=-0.786) USER MOD Single : A 118 GLN : amide:sc= -4.45 K(o=-4.5,f=-14!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.834 K(o=-0.83,f=-0.034) USER MOD Single : A 125 GLN : amide:sc= -0.268 K(o=-0.27,f=-2) USER MOD Single : A 127 GLN : amide:sc= -9.31! C(o=-9.3!,f=-17!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.086 2.936 16.437 1.00 0.00 N ATOM 2 CA MET A 1 12.457 2.336 15.231 1.00 0.00 C ATOM 3 C MET A 1 12.748 3.168 13.986 1.00 0.00 C ATOM 4 O MET A 1 13.610 4.047 14.002 1.00 0.00 O ATOM 5 CB MET A 1 10.948 2.239 15.466 1.00 0.00 C ATOM 6 CG MET A 1 10.429 0.811 15.505 1.00 0.00 C ATOM 7 SD MET A 1 11.268 -0.200 16.739 1.00 0.00 S ATOM 8 CE MET A 1 10.178 0.007 18.145 1.00 0.00 C ATOM 0 H1 MET A 1 12.872 2.349 17.269 1.00 0.00 H new ATOM 0 H2 MET A 1 14.116 2.984 16.304 1.00 0.00 H new ATOM 0 H3 MET A 1 12.711 3.895 16.584 1.00 0.00 H new ATOM 0 HA MET A 1 12.874 1.343 15.064 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.703 2.732 16.407 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.430 2.784 14.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.360 0.823 15.717 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.554 0.356 14.522 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.626 -0.456 19.024 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.025 1.070 18.333 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.219 -0.466 17.935 1.00 0.00 H new ATOM 20 N ALA A 2 12.024 2.884 12.909 1.00 0.00 N ATOM 21 CA ALA A 2 12.204 3.606 11.655 1.00 0.00 C ATOM 22 C ALA A 2 11.941 5.097 11.837 1.00 0.00 C ATOM 23 O ALA A 2 12.788 5.931 11.517 1.00 0.00 O ATOM 24 CB ALA A 2 11.290 3.034 10.582 1.00 0.00 C ATOM 0 H ALA A 2 11.307 2.159 12.879 1.00 0.00 H new ATOM 0 HA ALA A 2 13.240 3.483 11.339 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.434 3.582 9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.528 1.982 10.424 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.252 3.127 10.901 1.00 0.00 H new ATOM 30 N ASP A 3 10.761 5.425 12.354 1.00 0.00 N ATOM 31 CA ASP A 3 10.386 6.816 12.579 1.00 0.00 C ATOM 32 C ASP A 3 10.387 7.599 11.271 1.00 0.00 C ATOM 33 O ASP A 3 10.669 8.797 11.253 1.00 0.00 O ATOM 34 CB ASP A 3 11.344 7.469 13.578 1.00 0.00 C ATOM 35 CG ASP A 3 11.118 6.984 14.997 1.00 0.00 C ATOM 36 OD1 ASP A 3 10.055 7.300 15.570 1.00 0.00 O1- ATOM 37 OD2 ASP A 3 12.006 6.288 15.535 1.00 0.00 O ATOM 0 H ASP A 3 10.049 4.747 12.625 1.00 0.00 H new ATOM 0 HA ASP A 3 9.376 6.832 12.990 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.372 7.257 13.284 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.219 8.551 13.543 1.00 0.00 H new ATOM 42 N GLU A 4 10.069 6.915 10.177 1.00 0.00 N ATOM 43 CA GLU A 4 10.033 7.547 8.863 1.00 0.00 C ATOM 44 C GLU A 4 8.944 8.611 8.802 1.00 0.00 C ATOM 45 O GLU A 4 9.231 9.804 8.704 1.00 0.00 O ATOM 46 CB GLU A 4 9.800 6.497 7.775 1.00 0.00 C ATOM 47 CG GLU A 4 10.568 6.770 6.492 1.00 0.00 C ATOM 48 CD GLU A 4 12.020 6.345 6.580 1.00 0.00 C ATOM 49 OE1 GLU A 4 12.650 6.598 7.629 1.00 0.00 O ATOM 50 OE2 GLU A 4 12.528 5.760 5.601 1.00 0.00 O1- ATOM 0 H GLU A 4 9.832 5.923 10.174 1.00 0.00 H new ATOM 0 HA GLU A 4 10.996 8.029 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.087 5.518 8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.735 6.451 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.089 6.243 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.518 7.834 6.263 1.00 0.00 H new ATOM 57 N GLN A 5 7.693 8.170 8.859 1.00 0.00 N ATOM 58 CA GLN A 5 6.556 9.082 8.811 1.00 0.00 C ATOM 59 C GLN A 5 5.357 8.498 9.555 1.00 0.00 C ATOM 60 O GLN A 5 4.262 8.391 9.002 1.00 0.00 O ATOM 61 CB GLN A 5 6.178 9.381 7.358 1.00 0.00 C ATOM 62 CG GLN A 5 7.280 10.071 6.572 1.00 0.00 C ATOM 63 CD GLN A 5 7.649 11.423 7.149 1.00 0.00 C ATOM 64 OE1 GLN A 5 6.821 12.096 7.762 1.00 0.00 O ATOM 65 NE2 GLN A 5 8.899 11.828 6.956 1.00 0.00 N ATOM 0 H GLN A 5 7.440 7.185 8.939 1.00 0.00 H new ATOM 0 HA GLN A 5 6.845 10.011 9.302 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.918 8.447 6.860 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.287 10.008 7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.164 9.433 6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.959 10.197 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.553 11.238 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.205 12.729 7.322 1.00 0.00 H new ATOM 74 N PRO A 6 5.549 8.111 10.828 1.00 0.00 N ATOM 75 CA PRO A 6 4.478 7.536 11.648 1.00 0.00 C ATOM 76 C PRO A 6 3.439 8.575 12.056 1.00 0.00 C ATOM 77 O PRO A 6 2.242 8.288 12.096 1.00 0.00 O ATOM 78 CB PRO A 6 5.219 7.009 12.878 1.00 0.00 C ATOM 79 CG PRO A 6 6.434 7.863 12.980 1.00 0.00 C ATOM 80 CD PRO A 6 6.823 8.203 11.567 1.00 0.00 C ATOM 0 HA PRO A 6 3.918 6.771 11.110 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.604 7.086 13.775 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.482 5.958 12.762 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.229 8.765 13.556 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.240 7.335 13.490 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.256 9.201 11.499 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.565 7.507 11.176 1.00 0.00 H new ATOM 88 N LYS A 7 3.904 9.783 12.357 1.00 0.00 N ATOM 89 CA LYS A 7 3.014 10.865 12.762 1.00 0.00 C ATOM 90 C LYS A 7 3.330 12.144 11.994 1.00 0.00 C ATOM 91 O LYS A 7 4.354 12.785 12.229 1.00 0.00 O ATOM 92 CB LYS A 7 3.135 11.117 14.266 1.00 0.00 C ATOM 93 CG LYS A 7 2.352 10.127 15.113 1.00 0.00 C ATOM 94 CD LYS A 7 2.876 10.077 16.539 1.00 0.00 C ATOM 95 CE LYS A 7 1.811 9.591 17.508 1.00 0.00 C ATOM 96 NZ LYS A 7 1.110 10.723 18.176 1.00 0.00 N1+ ATOM 0 H LYS A 7 4.891 10.037 12.328 1.00 0.00 H new ATOM 0 HA LYS A 7 1.991 10.567 12.532 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.186 11.074 14.550 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.787 12.126 14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.299 10.407 15.121 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.415 9.135 14.666 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.741 9.416 16.587 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.216 11.069 16.838 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.085 8.979 16.973 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.271 8.953 18.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.392 10.350 18.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.799 11.292 18.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.650 11.318 17.458 1.00 0.00 H new ATOM 110 N LYS A 8 2.443 12.510 11.074 1.00 0.00 N ATOM 111 CA LYS A 8 2.626 13.713 10.271 1.00 0.00 C ATOM 112 C LYS A 8 1.403 13.975 9.395 1.00 0.00 C ATOM 113 O LYS A 8 0.562 13.095 9.210 1.00 0.00 O ATOM 114 CB LYS A 8 3.876 13.583 9.398 1.00 0.00 C ATOM 115 CG LYS A 8 5.115 14.213 10.012 1.00 0.00 C ATOM 116 CD LYS A 8 6.009 14.833 8.950 1.00 0.00 C ATOM 117 CE LYS A 8 6.637 16.129 9.438 1.00 0.00 C ATOM 118 NZ LYS A 8 5.873 17.323 8.982 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.590 11.990 10.866 1.00 0.00 H new ATOM 0 HA LYS A 8 2.751 14.557 10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.070 12.527 9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.684 14.048 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.818 14.977 10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.674 13.457 10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.794 14.128 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.426 15.026 8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.684 16.122 10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.663 16.194 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.352 18.187 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.821 17.326 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.911 17.291 9.377 1.00 0.00 H new ATOM 132 N PRO A 9 1.287 15.194 8.841 1.00 0.00 N ATOM 133 CA PRO A 9 0.160 15.567 7.981 1.00 0.00 C ATOM 134 C PRO A 9 0.170 14.813 6.655 1.00 0.00 C ATOM 135 O PRO A 9 1.228 14.587 6.067 1.00 0.00 O ATOM 136 CB PRO A 9 0.367 17.066 7.745 1.00 0.00 C ATOM 137 CG PRO A 9 1.826 17.285 7.952 1.00 0.00 C ATOM 138 CD PRO A 9 2.246 16.303 9.009 1.00 0.00 C ATOM 0 HA PRO A 9 -0.798 15.325 8.441 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.062 17.354 6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.225 17.662 8.440 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.380 17.124 7.027 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.026 18.309 8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.274 15.971 8.864 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.189 16.737 10.007 1.00 0.00 H new ATOM 146 N VAL A 10 -1.013 14.426 6.191 1.00 0.00 N ATOM 147 CA VAL A 10 -1.139 13.696 4.935 1.00 0.00 C ATOM 148 C VAL A 10 -1.761 14.574 3.849 1.00 0.00 C ATOM 149 O VAL A 10 -2.465 15.539 4.146 1.00 0.00 O ATOM 150 CB VAL A 10 -1.984 12.416 5.113 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.513 11.630 6.326 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.464 12.751 5.232 1.00 0.00 C ATOM 0 H VAL A 10 -1.898 14.605 6.665 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.133 13.411 4.626 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.850 11.796 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.120 10.731 6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.468 11.348 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.612 12.246 7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.036 11.832 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.623 13.397 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.795 13.265 4.329 1.00 0.00 H new ATOM 162 N PRO A 11 -1.507 14.247 2.570 1.00 0.00 N ATOM 163 CA PRO A 11 -2.043 15.008 1.439 1.00 0.00 C ATOM 164 C PRO A 11 -3.528 14.742 1.213 1.00 0.00 C ATOM 165 O PRO A 11 -4.195 14.140 2.054 1.00 0.00 O ATOM 166 CB PRO A 11 -1.222 14.498 0.255 1.00 0.00 C ATOM 167 CG PRO A 11 -0.842 13.108 0.633 1.00 0.00 C ATOM 168 CD PRO A 11 -0.676 13.111 2.129 1.00 0.00 C ATOM 0 HA PRO A 11 -1.969 16.084 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.804 14.513 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.341 15.118 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.610 12.398 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.083 12.809 0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.012 12.173 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.367 13.243 2.416 1.00 0.00 H new ATOM 176 N ALA A 12 -4.038 15.194 0.072 1.00 0.00 N ATOM 177 CA ALA A 12 -5.444 15.004 -0.264 1.00 0.00 C ATOM 178 C ALA A 12 -5.601 14.482 -1.688 1.00 0.00 C ATOM 179 O ALA A 12 -5.188 15.132 -2.648 1.00 0.00 O ATOM 180 CB ALA A 12 -6.208 16.307 -0.090 1.00 0.00 C ATOM 0 H ALA A 12 -3.499 15.694 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.858 14.260 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.256 16.151 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.131 16.638 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.785 17.067 -0.746 1.00 0.00 H new ATOM 186 N ALA A 13 -6.202 13.303 -1.818 1.00 0.00 N ATOM 187 CA ALA A 13 -6.414 12.694 -3.125 1.00 0.00 C ATOM 188 C ALA A 13 -7.222 11.406 -3.005 1.00 0.00 C ATOM 189 O ALA A 13 -7.295 10.804 -1.933 1.00 0.00 O ATOM 190 CB ALA A 13 -5.080 12.421 -3.802 1.00 0.00 C ATOM 0 H ALA A 13 -6.550 12.751 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.983 13.394 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.253 11.966 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.538 13.358 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.491 11.743 -3.185 1.00 0.00 H new ATOM 196 N GLU A 14 -7.826 10.987 -4.112 1.00 0.00 N ATOM 197 CA GLU A 14 -8.629 9.770 -4.132 1.00 0.00 C ATOM 198 C GLU A 14 -9.143 9.480 -5.538 1.00 0.00 C ATOM 199 O GLU A 14 -10.209 9.956 -5.930 1.00 0.00 O ATOM 200 CB GLU A 14 -9.805 9.893 -3.161 1.00 0.00 C ATOM 201 CG GLU A 14 -10.655 8.636 -3.072 1.00 0.00 C ATOM 202 CD GLU A 14 -10.250 7.740 -1.919 1.00 0.00 C ATOM 203 OE1 GLU A 14 -9.800 8.272 -0.883 1.00 0.00 O ATOM 204 OE2 GLU A 14 -10.385 6.505 -2.051 1.00 0.00 O1- ATOM 0 H GLU A 14 -7.775 11.473 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.994 8.941 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.423 10.134 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.435 10.727 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.702 8.917 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.574 8.080 -4.006 1.00 0.00 H new ATOM 211 N GLU A 15 -8.380 8.696 -6.292 1.00 0.00 N ATOM 212 CA GLU A 15 -8.759 8.342 -7.655 1.00 0.00 C ATOM 213 C GLU A 15 -7.867 7.229 -8.197 1.00 0.00 C ATOM 214 O GLU A 15 -6.866 6.866 -7.579 1.00 0.00 O ATOM 215 CB GLU A 15 -8.673 9.569 -8.565 1.00 0.00 C ATOM 216 CG GLU A 15 -9.965 10.366 -8.634 1.00 0.00 C ATOM 217 CD GLU A 15 -10.145 11.071 -9.964 1.00 0.00 C ATOM 218 OE1 GLU A 15 -10.410 10.381 -10.971 1.00 0.00 O ATOM 219 OE2 GLU A 15 -10.020 12.314 -9.999 1.00 0.00 O1- ATOM 0 H GLU A 15 -7.495 8.294 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.788 7.982 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.873 10.219 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.400 9.247 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.809 9.698 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.976 11.104 -7.832 1.00 0.00 H new ATOM 226 N ALA A 16 -8.238 6.692 -9.355 1.00 0.00 N ATOM 227 CA ALA A 16 -7.472 5.621 -9.980 1.00 0.00 C ATOM 228 C ALA A 16 -7.225 5.912 -11.458 1.00 0.00 C ATOM 229 O ALA A 16 -7.927 6.720 -12.065 1.00 0.00 O ATOM 230 CB ALA A 16 -8.193 4.292 -9.815 1.00 0.00 C ATOM 0 H ALA A 16 -9.064 6.981 -9.879 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.504 5.561 -9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.610 3.501 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.312 4.072 -8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.174 4.349 -10.286 1.00 0.00 H new ATOM 236 N PRO A 17 -6.218 5.254 -12.058 1.00 0.00 N ATOM 237 CA PRO A 17 -5.881 5.447 -13.472 1.00 0.00 C ATOM 238 C PRO A 17 -6.926 4.842 -14.403 1.00 0.00 C ATOM 239 O PRO A 17 -7.902 4.241 -13.952 1.00 0.00 O ATOM 240 CB PRO A 17 -4.546 4.717 -13.621 1.00 0.00 C ATOM 241 CG PRO A 17 -4.562 3.677 -12.554 1.00 0.00 C ATOM 242 CD PRO A 17 -5.331 4.272 -11.406 1.00 0.00 C ATOM 0 HA PRO A 17 -5.837 6.502 -13.741 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.448 4.268 -14.610 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.705 5.400 -13.496 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.036 2.762 -12.908 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.549 3.414 -12.250 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.899 3.514 -10.867 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.669 4.748 -10.683 1.00 0.00 H new ATOM 250 N ALA A 18 -6.716 5.004 -15.705 1.00 0.00 N ATOM 251 CA ALA A 18 -7.639 4.474 -16.701 1.00 0.00 C ATOM 252 C ALA A 18 -7.023 4.508 -18.095 1.00 0.00 C ATOM 253 O ALA A 18 -7.335 5.383 -18.902 1.00 0.00 O ATOM 254 CB ALA A 18 -8.943 5.258 -16.680 1.00 0.00 C ATOM 0 H ALA A 18 -5.914 5.499 -16.095 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.847 3.434 -16.450 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.624 4.852 -17.428 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.399 5.179 -15.693 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.741 6.306 -16.903 1.00 0.00 H new ATOM 260 N ALA A 19 -6.145 3.549 -18.371 1.00 0.00 N ATOM 261 CA ALA A 19 -5.484 3.468 -19.668 1.00 0.00 C ATOM 262 C ALA A 19 -6.120 2.393 -20.542 1.00 0.00 C ATOM 263 O ALA A 19 -6.901 1.571 -20.063 1.00 0.00 O ATOM 264 CB ALA A 19 -3.999 3.194 -19.487 1.00 0.00 C ATOM 0 H ALA A 19 -5.875 2.817 -17.714 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.606 4.427 -20.171 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.518 3.136 -20.463 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.548 4.000 -18.908 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.865 2.249 -18.960 1.00 0.00 H new ATOM 270 N GLU A 20 -5.780 2.404 -21.827 1.00 0.00 N ATOM 271 CA GLU A 20 -6.317 1.429 -22.768 1.00 0.00 C ATOM 272 C GLU A 20 -5.261 0.395 -23.143 1.00 0.00 C ATOM 273 O GLU A 20 -4.227 0.729 -23.722 1.00 0.00 O ATOM 274 CB GLU A 20 -6.827 2.133 -24.027 1.00 0.00 C ATOM 275 CG GLU A 20 -7.988 3.079 -23.768 1.00 0.00 C ATOM 276 CD GLU A 20 -9.324 2.487 -24.172 1.00 0.00 C ATOM 277 OE1 GLU A 20 -9.480 2.129 -25.359 1.00 0.00 O1- ATOM 278 OE2 GLU A 20 -10.215 2.383 -23.303 1.00 0.00 O ATOM 0 H GLU A 20 -5.135 3.078 -22.240 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.148 0.914 -22.285 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.007 2.692 -24.478 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.137 1.381 -24.753 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.014 3.335 -22.709 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.825 4.007 -24.316 1.00 0.00 H new ATOM 285 N ALA A 21 -5.528 -0.864 -22.808 1.00 0.00 N ATOM 286 CA ALA A 21 -4.601 -1.947 -23.110 1.00 0.00 C ATOM 287 C ALA A 21 -3.256 -1.725 -22.426 1.00 0.00 C ATOM 288 O ALA A 21 -2.509 -0.814 -22.784 1.00 0.00 O ATOM 289 CB ALA A 21 -4.415 -2.079 -24.614 1.00 0.00 C ATOM 0 H ALA A 21 -6.378 -1.158 -22.328 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.026 -2.874 -22.725 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.720 -2.892 -24.825 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.376 -2.293 -25.082 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.016 -1.147 -25.014 1.00 0.00 H new ATOM 295 N GLU A 22 -2.953 -2.564 -21.440 1.00 0.00 N ATOM 296 CA GLU A 22 -1.697 -2.458 -20.706 1.00 0.00 C ATOM 297 C GLU A 22 -1.302 -3.805 -20.110 1.00 0.00 C ATOM 298 O GLU A 22 -2.026 -4.368 -19.289 1.00 0.00 O ATOM 299 CB GLU A 22 -1.817 -1.412 -19.597 1.00 0.00 C ATOM 300 CG GLU A 22 -2.896 -1.729 -18.575 1.00 0.00 C ATOM 301 CD GLU A 22 -2.331 -2.305 -17.291 1.00 0.00 C ATOM 302 OE1 GLU A 22 -1.644 -1.562 -16.559 1.00 0.00 O1- ATOM 303 OE2 GLU A 22 -2.576 -3.499 -17.018 1.00 0.00 O ATOM 0 H GLU A 22 -3.559 -3.324 -21.131 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.921 -2.148 -21.405 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.858 -1.325 -19.086 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.028 -0.441 -20.046 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.454 -0.821 -18.347 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.603 -2.437 -19.006 1.00 0.00 H new ATOM 310 N ALA A 23 -0.148 -4.316 -20.528 1.00 0.00 N ATOM 311 CA ALA A 23 0.344 -5.596 -20.035 1.00 0.00 C ATOM 312 C ALA A 23 0.664 -5.525 -18.546 1.00 0.00 C ATOM 313 O ALA A 23 1.561 -4.793 -18.128 1.00 0.00 O ATOM 314 CB ALA A 23 1.573 -6.027 -20.821 1.00 0.00 C ATOM 0 H ALA A 23 0.463 -3.863 -21.207 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.442 -6.338 -20.176 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.930 -6.985 -20.442 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.314 -6.128 -21.875 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.357 -5.278 -20.710 1.00 0.00 H new ATOM 320 N GLU A 24 -0.076 -6.289 -17.749 1.00 0.00 N ATOM 321 CA GLU A 24 0.129 -6.312 -16.306 1.00 0.00 C ATOM 322 C GLU A 24 1.160 -7.368 -15.920 1.00 0.00 C ATOM 323 O GLU A 24 1.312 -8.380 -16.603 1.00 0.00 O ATOM 324 CB GLU A 24 -1.193 -6.586 -15.586 1.00 0.00 C ATOM 325 CG GLU A 24 -1.336 -5.838 -14.271 1.00 0.00 C ATOM 326 CD GLU A 24 -2.073 -6.643 -13.219 1.00 0.00 C ATOM 327 OE1 GLU A 24 -2.861 -7.535 -13.599 1.00 0.00 O ATOM 328 OE2 GLU A 24 -1.864 -6.382 -12.016 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.823 -6.900 -18.079 1.00 0.00 H new ATOM 0 HA GLU A 24 0.504 -5.335 -16.002 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.018 -6.311 -16.243 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.279 -7.656 -15.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.346 -5.577 -13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.867 -4.902 -14.445 1.00 0.00 H new ATOM 335 N GLU A 25 1.865 -7.125 -14.820 1.00 0.00 N ATOM 336 CA GLU A 25 2.882 -8.055 -14.342 1.00 0.00 C ATOM 337 C GLU A 25 2.384 -8.827 -13.124 1.00 0.00 C ATOM 338 O GLU A 25 1.759 -8.258 -12.230 1.00 0.00 O ATOM 339 CB GLU A 25 4.167 -7.303 -13.994 1.00 0.00 C ATOM 340 CG GLU A 25 5.402 -8.189 -13.968 1.00 0.00 C ATOM 341 CD GLU A 25 5.995 -8.403 -15.347 1.00 0.00 C ATOM 342 OE1 GLU A 25 6.101 -7.417 -16.107 1.00 0.00 O1- ATOM 343 OE2 GLU A 25 6.353 -9.556 -15.667 1.00 0.00 O ATOM 0 H GLU A 25 1.751 -6.292 -14.243 1.00 0.00 H new ATOM 0 HA GLU A 25 3.091 -8.767 -15.140 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.318 -6.504 -14.720 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.049 -6.830 -13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.154 -7.739 -13.319 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.143 -9.155 -13.534 1.00 0.00 H new ATOM 350 N GLU A 26 2.667 -10.125 -13.097 1.00 0.00 N ATOM 351 CA GLU A 26 2.248 -10.975 -11.988 1.00 0.00 C ATOM 352 C GLU A 26 0.729 -10.981 -11.851 1.00 0.00 C ATOM 353 O GLU A 26 0.162 -10.208 -11.078 1.00 0.00 O ATOM 354 CB GLU A 26 2.888 -10.498 -10.683 1.00 0.00 C ATOM 355 CG GLU A 26 2.901 -11.555 -9.591 1.00 0.00 C ATOM 356 CD GLU A 26 1.510 -11.904 -9.100 1.00 0.00 C ATOM 357 OE1 GLU A 26 0.774 -10.979 -8.695 1.00 0.00 O ATOM 358 OE2 GLU A 26 1.156 -13.101 -9.120 1.00 0.00 O1- ATOM 0 H GLU A 26 3.184 -10.611 -13.829 1.00 0.00 H new ATOM 0 HA GLU A 26 2.580 -11.992 -12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.912 -10.182 -10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.349 -9.622 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.386 -12.456 -9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.499 -11.198 -8.753 1.00 0.00 H new ATOM 365 N GLU A 27 0.075 -11.858 -12.605 1.00 0.00 N ATOM 366 CA GLU A 27 -1.379 -11.965 -12.568 1.00 0.00 C ATOM 367 C GLU A 27 -1.830 -12.825 -11.392 1.00 0.00 C ATOM 368 O GLU A 27 -1.644 -14.042 -11.392 1.00 0.00 O ATOM 369 CB GLU A 27 -1.901 -12.557 -13.878 1.00 0.00 C ATOM 370 CG GLU A 27 -2.123 -11.521 -14.967 1.00 0.00 C ATOM 371 CD GLU A 27 -3.544 -10.993 -14.990 1.00 0.00 C ATOM 372 OE1 GLU A 27 -4.133 -10.826 -13.901 1.00 0.00 O1- ATOM 373 OE2 GLU A 27 -4.069 -10.747 -16.096 1.00 0.00 O ATOM 0 H GLU A 27 0.529 -12.505 -13.249 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.790 -10.963 -12.442 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.193 -13.304 -14.237 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.840 -13.075 -13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.433 -10.690 -14.819 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.888 -11.962 -15.936 1.00 0.00 H new ATOM 380 N GLY A 28 -2.425 -12.184 -10.391 1.00 0.00 N ATOM 381 CA GLY A 28 -2.895 -12.906 -9.223 1.00 0.00 C ATOM 382 C GLY A 28 -4.270 -12.453 -8.774 1.00 0.00 C ATOM 383 O GLY A 28 -4.542 -11.254 -8.700 1.00 0.00 O ATOM 0 H GLY A 28 -2.590 -11.178 -10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.922 -13.973 -9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.186 -12.769 -8.406 1.00 0.00 H new ATOM 387 N LEU A 29 -5.138 -13.412 -8.473 1.00 0.00 N ATOM 388 CA LEU A 29 -6.493 -13.105 -8.029 1.00 0.00 C ATOM 389 C LEU A 29 -7.249 -12.316 -9.093 1.00 0.00 C ATOM 390 O LEU A 29 -6.690 -11.962 -10.132 1.00 0.00 O ATOM 391 CB LEU A 29 -6.456 -12.314 -6.720 1.00 0.00 C ATOM 392 CG LEU A 29 -6.281 -13.159 -5.458 1.00 0.00 C ATOM 393 CD1 LEU A 29 -6.007 -12.270 -4.254 1.00 0.00 C ATOM 394 CD2 LEU A 29 -7.513 -14.019 -5.218 1.00 0.00 C ATOM 0 H LEU A 29 -4.928 -14.409 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.016 -14.047 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.640 -11.593 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.381 -11.744 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.424 -13.817 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.885 -12.889 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.096 -11.697 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.844 -11.587 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.371 -14.614 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.386 -13.378 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.665 -14.682 -6.070 1.00 0.00 H new ATOM 406 N HIS A 30 -8.522 -12.042 -8.827 1.00 0.00 N ATOM 407 CA HIS A 30 -9.354 -11.294 -9.762 1.00 0.00 C ATOM 408 C HIS A 30 -10.104 -10.174 -9.047 1.00 0.00 C ATOM 409 O HIS A 30 -9.920 -9.957 -7.849 1.00 0.00 O ATOM 410 CB HIS A 30 -10.348 -12.229 -10.453 1.00 0.00 C ATOM 411 CG HIS A 30 -9.829 -12.817 -11.728 1.00 0.00 C ATOM 412 ND1 HIS A 30 -10.519 -13.762 -12.457 1.00 0.00 N ATOM 413 CD2 HIS A 30 -8.678 -12.590 -12.405 1.00 0.00 C ATOM 414 CE1 HIS A 30 -9.816 -14.091 -13.526 1.00 0.00 C ATOM 415 NE2 HIS A 30 -8.695 -13.394 -13.518 1.00 0.00 N ATOM 0 H HIS A 30 -9.000 -12.327 -7.972 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.702 -10.848 -10.514 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -10.610 -13.037 -9.770 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.266 -11.679 -10.663 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.893 -11.904 -12.122 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.109 -14.808 -14.279 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.961 -13.444 -14.224 1.00 0.00 H new ATOM 424 N LEU A 31 -10.950 -9.468 -9.789 1.00 0.00 N ATOM 425 CA LEU A 31 -11.728 -8.370 -9.225 1.00 0.00 C ATOM 426 C LEU A 31 -13.196 -8.484 -9.623 1.00 0.00 C ATOM 427 O LEU A 31 -13.551 -9.263 -10.508 1.00 0.00 O ATOM 428 CB LEU A 31 -11.164 -7.026 -9.690 1.00 0.00 C ATOM 429 CG LEU A 31 -10.038 -6.461 -8.823 1.00 0.00 C ATOM 430 CD1 LEU A 31 -9.403 -5.253 -9.493 1.00 0.00 C ATOM 431 CD2 LEU A 31 -10.564 -6.094 -7.443 1.00 0.00 C ATOM 0 H LEU A 31 -11.115 -9.636 -10.782 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.659 -8.428 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.796 -7.137 -10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.976 -6.300 -9.722 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.273 -7.229 -8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.604 -4.865 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.992 -5.547 -10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.157 -4.480 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.750 -5.693 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.348 -5.343 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.971 -6.983 -6.961 1.00 0.00 H new ATOM 443 N GLU A 32 -14.045 -7.702 -8.964 1.00 0.00 N ATOM 444 CA GLU A 32 -15.475 -7.715 -9.248 1.00 0.00 C ATOM 445 C GLU A 32 -15.893 -6.452 -9.993 1.00 0.00 C ATOM 446 O GLU A 32 -16.607 -6.517 -10.994 1.00 0.00 O ATOM 447 CB GLU A 32 -16.274 -7.843 -7.950 1.00 0.00 C ATOM 448 CG GLU A 32 -16.026 -6.709 -6.969 1.00 0.00 C ATOM 449 CD GLU A 32 -16.722 -6.926 -5.640 1.00 0.00 C ATOM 450 OE1 GLU A 32 -16.276 -7.806 -4.873 1.00 0.00 O1- ATOM 451 OE2 GLU A 32 -17.712 -6.216 -5.365 1.00 0.00 O ATOM 0 H GLU A 32 -13.767 -7.051 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.686 -8.576 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.337 -7.879 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.023 -8.789 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.954 -6.607 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -16.371 -5.772 -7.407 1.00 0.00 H new ATOM 458 N ASP A 33 -15.443 -5.303 -9.499 1.00 0.00 N ATOM 459 CA ASP A 33 -15.770 -4.024 -10.118 1.00 0.00 C ATOM 460 C ASP A 33 -14.932 -2.899 -9.519 1.00 0.00 C ATOM 461 O ASP A 33 -14.341 -2.099 -10.244 1.00 0.00 O ATOM 462 CB ASP A 33 -17.258 -3.715 -9.942 1.00 0.00 C ATOM 463 CG ASP A 33 -17.701 -2.519 -10.763 1.00 0.00 C ATOM 464 OD1 ASP A 33 -17.919 -2.684 -11.982 1.00 0.00 O ATOM 465 OD2 ASP A 33 -17.830 -1.419 -10.187 1.00 0.00 O1- ATOM 0 H ASP A 33 -14.851 -5.232 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.543 -4.095 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.844 -4.588 -10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.465 -3.526 -8.889 1.00 0.00 H new ATOM 470 N ASP A 34 -14.884 -2.845 -8.192 1.00 0.00 N ATOM 471 CA ASP A 34 -14.117 -1.818 -7.496 1.00 0.00 C ATOM 472 C ASP A 34 -12.639 -1.901 -7.863 1.00 0.00 C ATOM 473 O ASP A 34 -12.190 -2.883 -8.455 1.00 0.00 O ATOM 474 CB ASP A 34 -14.289 -1.962 -5.983 1.00 0.00 C ATOM 475 CG ASP A 34 -14.118 -0.644 -5.254 1.00 0.00 C ATOM 476 OD1 ASP A 34 -13.509 0.280 -5.833 1.00 0.00 O ATOM 477 OD2 ASP A 34 -14.594 -0.535 -4.104 1.00 0.00 O1- ATOM 0 H ASP A 34 -15.367 -3.500 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.495 -0.844 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.278 -2.367 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.562 -2.681 -5.604 1.00 0.00 H new ATOM 482 N GLN A 35 -11.887 -0.865 -7.506 1.00 0.00 N ATOM 483 CA GLN A 35 -10.459 -0.821 -7.797 1.00 0.00 C ATOM 484 C GLN A 35 -9.712 -1.904 -7.024 1.00 0.00 C ATOM 485 O GLN A 35 -9.304 -2.916 -7.592 1.00 0.00 O ATOM 486 CB GLN A 35 -9.889 0.555 -7.450 1.00 0.00 C ATOM 487 CG GLN A 35 -10.015 1.568 -8.576 1.00 0.00 C ATOM 488 CD GLN A 35 -11.385 2.217 -8.625 1.00 0.00 C ATOM 489 OE1 GLN A 35 -11.561 3.354 -8.186 1.00 0.00 O ATOM 490 NE2 GLN A 35 -12.363 1.496 -9.160 1.00 0.00 N ATOM 0 H GLN A 35 -12.243 -0.045 -7.015 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.325 -1.004 -8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.401 0.939 -6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.837 0.447 -7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.255 2.340 -8.452 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.816 1.075 -9.528 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.171 0.558 -9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.306 1.880 -9.220 1.00 0.00 H new ATOM 499 N GLU A 36 -9.538 -1.683 -5.725 1.00 0.00 N ATOM 500 CA GLU A 36 -8.841 -2.640 -4.873 1.00 0.00 C ATOM 501 C GLU A 36 -9.293 -2.506 -3.420 1.00 0.00 C ATOM 502 O GLU A 36 -8.527 -2.072 -2.559 1.00 0.00 O ATOM 503 CB GLU A 36 -7.328 -2.434 -4.973 1.00 0.00 C ATOM 504 CG GLU A 36 -6.714 -3.026 -6.231 1.00 0.00 C ATOM 505 CD GLU A 36 -6.953 -4.519 -6.349 1.00 0.00 C ATOM 506 OE1 GLU A 36 -8.064 -4.912 -6.761 1.00 0.00 O ATOM 507 OE2 GLU A 36 -6.027 -5.295 -6.029 1.00 0.00 O1- ATOM 0 H GLU A 36 -9.870 -0.850 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.087 -3.644 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.113 -1.366 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.851 -2.881 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.131 -2.525 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.641 -2.832 -6.233 1.00 0.00 H new ATOM 514 N PRO A 37 -10.551 -2.879 -3.128 1.00 0.00 N ATOM 515 CA PRO A 37 -11.103 -2.799 -1.771 1.00 0.00 C ATOM 516 C PRO A 37 -10.221 -3.500 -0.744 1.00 0.00 C ATOM 517 O PRO A 37 -9.300 -4.235 -1.101 1.00 0.00 O ATOM 518 CB PRO A 37 -12.452 -3.512 -1.892 1.00 0.00 C ATOM 519 CG PRO A 37 -12.824 -3.379 -3.328 1.00 0.00 C ATOM 520 CD PRO A 37 -11.531 -3.407 -4.095 1.00 0.00 C ATOM 0 HA PRO A 37 -11.180 -1.769 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.374 -4.559 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.201 -3.055 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.479 -4.193 -3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.364 -2.449 -3.507 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.275 -4.417 -4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.582 -2.791 -4.993 1.00 0.00 H new ATOM 528 N ARG A 38 -10.509 -3.269 0.532 1.00 0.00 N ATOM 529 CA ARG A 38 -9.741 -3.879 1.612 1.00 0.00 C ATOM 530 C ARG A 38 -10.348 -3.541 2.970 1.00 0.00 C ATOM 531 O ARG A 38 -11.219 -2.677 3.074 1.00 0.00 O ATOM 532 CB ARG A 38 -8.286 -3.410 1.560 1.00 0.00 C ATOM 533 CG ARG A 38 -8.136 -1.905 1.406 1.00 0.00 C ATOM 534 CD ARG A 38 -8.107 -1.207 2.756 1.00 0.00 C ATOM 535 NE ARG A 38 -6.951 -1.607 3.555 1.00 0.00 N ATOM 536 CZ ARG A 38 -6.490 -0.911 4.592 1.00 0.00 C ATOM 537 NH1 ARG A 38 -7.083 0.218 4.959 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -5.433 -1.346 5.264 1.00 0.00 N ATOM 0 H ARG A 38 -11.268 -2.664 0.844 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.772 -4.960 1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.779 -3.726 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.784 -3.904 0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.218 -1.684 0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.962 -1.515 0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.088 -0.128 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.022 -1.436 3.302 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.469 -2.470 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.897 0.557 4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.725 0.747 5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.974 -2.213 4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.079 -0.813 6.059 1.00 0.00 H new ATOM 552 N GLU A 39 -9.882 -4.228 4.008 1.00 0.00 N ATOM 553 CA GLU A 39 -10.379 -4.000 5.360 1.00 0.00 C ATOM 554 C GLU A 39 -9.468 -3.042 6.120 1.00 0.00 C ATOM 555 O GLU A 39 -8.575 -2.425 5.538 1.00 0.00 O ATOM 556 CB GLU A 39 -10.489 -5.326 6.115 1.00 0.00 C ATOM 557 CG GLU A 39 -11.713 -5.416 7.011 1.00 0.00 C ATOM 558 CD GLU A 39 -12.333 -6.800 7.014 1.00 0.00 C ATOM 559 OE1 GLU A 39 -12.313 -7.461 5.955 1.00 0.00 O ATOM 560 OE2 GLU A 39 -12.837 -7.223 8.076 1.00 0.00 O1- ATOM 0 H GLU A 39 -9.161 -4.947 3.939 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.369 -3.549 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.515 -6.144 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.594 -5.464 6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.434 -5.145 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.455 -4.690 6.680 1.00 0.00 H new ATOM 567 N HIS A 40 -9.699 -2.921 7.423 1.00 0.00 N ATOM 568 CA HIS A 40 -8.899 -2.037 8.263 1.00 0.00 C ATOM 569 C HIS A 40 -7.909 -2.837 9.107 1.00 0.00 C ATOM 570 O HIS A 40 -8.180 -3.977 9.483 1.00 0.00 O ATOM 571 CB HIS A 40 -9.805 -1.204 9.171 1.00 0.00 C ATOM 572 CG HIS A 40 -10.777 -2.024 9.962 1.00 0.00 C ATOM 573 ND1 HIS A 40 -10.447 -2.645 11.148 1.00 0.00 N ATOM 574 CD2 HIS A 40 -12.077 -2.323 9.732 1.00 0.00 C ATOM 575 CE1 HIS A 40 -11.502 -3.292 11.612 1.00 0.00 C ATOM 576 NE2 HIS A 40 -12.503 -3.111 10.772 1.00 0.00 N ATOM 0 H HIS A 40 -10.434 -3.424 7.920 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.336 -1.368 7.612 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.186 -0.627 9.858 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.357 -0.488 8.562 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -9.532 -2.610 11.597 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.669 -2.001 8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.538 -3.870 12.523 1.00 0.00 H new ATOM 585 N PRO A 41 -6.743 -2.245 9.419 1.00 0.00 N ATOM 586 CA PRO A 41 -5.711 -2.908 10.223 1.00 0.00 C ATOM 587 C PRO A 41 -6.117 -3.044 11.687 1.00 0.00 C ATOM 588 O PRO A 41 -7.275 -2.826 12.043 1.00 0.00 O ATOM 589 CB PRO A 41 -4.504 -1.978 10.087 1.00 0.00 C ATOM 590 CG PRO A 41 -5.090 -0.637 9.812 1.00 0.00 C ATOM 591 CD PRO A 41 -6.339 -0.885 9.012 1.00 0.00 C ATOM 0 HA PRO A 41 -5.521 -3.927 9.884 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.906 -1.970 10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.847 -2.297 9.278 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.319 -0.114 10.740 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.390 -0.012 9.258 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.113 -0.152 9.238 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.148 -0.827 7.940 1.00 0.00 H new ATOM 599 N ILE A 42 -5.156 -3.406 12.530 1.00 0.00 N ATOM 600 CA ILE A 42 -5.411 -3.572 13.956 1.00 0.00 C ATOM 601 C ILE A 42 -4.543 -2.628 14.782 1.00 0.00 C ATOM 602 O ILE A 42 -3.470 -2.213 14.344 1.00 0.00 O ATOM 603 CB ILE A 42 -5.156 -5.025 14.406 1.00 0.00 C ATOM 604 CG1 ILE A 42 -5.576 -5.217 15.865 1.00 0.00 C ATOM 605 CG2 ILE A 42 -3.692 -5.392 14.218 1.00 0.00 C ATOM 606 CD1 ILE A 42 -7.039 -4.921 16.118 1.00 0.00 C ATOM 0 H ILE A 42 -4.193 -3.590 12.250 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.461 -3.330 14.123 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.759 -5.688 13.786 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.365 -6.244 16.163 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.968 -4.570 16.498 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.530 -6.421 14.541 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.425 -5.296 13.166 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.070 -4.723 14.813 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.265 -5.078 17.173 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.252 -3.886 15.852 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.655 -5.586 15.512 1.00 0.00 H new ATOM 618 N MET A 43 -5.013 -2.293 15.979 1.00 0.00 N ATOM 619 CA MET A 43 -4.280 -1.397 16.868 1.00 0.00 C ATOM 620 C MET A 43 -2.865 -1.911 17.118 1.00 0.00 C ATOM 621 O MET A 43 -2.632 -3.119 17.167 1.00 0.00 O ATOM 622 CB MET A 43 -5.021 -1.248 18.198 1.00 0.00 C ATOM 623 CG MET A 43 -5.273 -2.570 18.904 1.00 0.00 C ATOM 624 SD MET A 43 -6.886 -2.634 19.707 1.00 0.00 S ATOM 625 CE MET A 43 -7.329 -4.349 19.442 1.00 0.00 C ATOM 0 H MET A 43 -5.899 -2.629 16.357 1.00 0.00 H new ATOM 0 HA MET A 43 -4.212 -0.423 16.384 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.443 -0.599 18.856 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.976 -0.753 18.019 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.199 -3.383 18.182 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.494 -2.734 19.649 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.123 -4.409 18.697 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.457 -4.899 19.088 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.677 -4.784 20.379 1.00 0.00 H new ATOM 635 N GLY A 44 -1.924 -0.986 17.276 1.00 0.00 N ATOM 636 CA GLY A 44 -0.545 -1.365 17.519 1.00 0.00 C ATOM 637 C GLY A 44 0.426 -0.234 17.237 1.00 0.00 C ATOM 638 O GLY A 44 0.026 0.926 17.137 1.00 0.00 O ATOM 0 H GLY A 44 -2.092 0.019 17.240 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.436 -1.683 18.556 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.291 -2.222 16.895 1.00 0.00 H new ATOM 642 N GLY A 45 1.704 -0.573 17.108 1.00 0.00 N ATOM 643 CA GLY A 45 2.714 0.433 16.837 1.00 0.00 C ATOM 644 C GLY A 45 3.778 -0.057 15.875 1.00 0.00 C ATOM 645 O GLY A 45 3.584 -1.054 15.179 1.00 0.00 O ATOM 0 H GLY A 45 2.059 -1.526 17.186 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.236 1.321 16.423 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.185 0.732 17.773 1.00 0.00 H new ATOM 649 N ILE A 46 4.906 0.645 15.834 1.00 0.00 N ATOM 650 CA ILE A 46 6.005 0.275 14.950 1.00 0.00 C ATOM 651 C ILE A 46 6.767 -0.929 15.494 1.00 0.00 C ATOM 652 O ILE A 46 7.851 -0.787 16.060 1.00 0.00 O ATOM 653 CB ILE A 46 6.987 1.446 14.755 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.227 2.728 14.410 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.998 1.113 13.667 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.499 2.661 13.085 1.00 0.00 C ATOM 0 H ILE A 46 5.083 1.473 16.403 1.00 0.00 H new ATOM 0 HA ILE A 46 5.564 0.017 13.987 1.00 0.00 H new ATOM 0 HB ILE A 46 7.526 1.608 15.688 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.507 2.938 15.201 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.929 3.562 14.388 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.685 1.950 13.540 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.559 0.223 13.952 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.475 0.928 12.729 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.982 3.604 12.906 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.217 2.482 12.284 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.773 1.848 13.110 1.00 0.00 H new ATOM 668 N TYR A 47 6.192 -2.114 15.319 1.00 0.00 N ATOM 669 CA TYR A 47 6.816 -3.344 15.793 1.00 0.00 C ATOM 670 C TYR A 47 5.979 -4.561 15.412 1.00 0.00 C ATOM 671 O TYR A 47 6.512 -5.583 14.980 1.00 0.00 O ATOM 672 CB TYR A 47 7.004 -3.295 17.310 1.00 0.00 C ATOM 673 CG TYR A 47 8.158 -4.138 17.806 1.00 0.00 C ATOM 674 CD1 TYR A 47 8.113 -5.525 17.727 1.00 0.00 C ATOM 675 CD2 TYR A 47 9.290 -3.548 18.352 1.00 0.00 C ATOM 676 CE1 TYR A 47 9.165 -6.299 18.179 1.00 0.00 C ATOM 677 CE2 TYR A 47 10.346 -4.316 18.805 1.00 0.00 C ATOM 678 CZ TYR A 47 10.279 -5.690 18.717 1.00 0.00 C ATOM 679 OH TYR A 47 11.328 -6.457 19.168 1.00 0.00 O ATOM 0 H TYR A 47 5.295 -2.249 14.852 1.00 0.00 H new ATOM 0 HA TYR A 47 7.792 -3.433 15.316 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.164 -2.261 17.614 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.086 -3.631 17.792 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.242 -6.005 17.306 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.346 -2.472 18.424 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.115 -7.376 18.111 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.220 -3.842 19.226 1.00 0.00 H new ATOM 0 HH TYR A 47 12.034 -5.873 19.516 1.00 0.00 H new ATOM 689 N ASP A 48 4.665 -4.443 15.576 1.00 0.00 N ATOM 690 CA ASP A 48 3.754 -5.533 15.249 1.00 0.00 C ATOM 691 C ASP A 48 3.677 -5.746 13.741 1.00 0.00 C ATOM 692 O ASP A 48 3.368 -4.822 12.989 1.00 0.00 O ATOM 693 CB ASP A 48 2.359 -5.244 15.807 1.00 0.00 C ATOM 694 CG ASP A 48 2.359 -5.094 17.316 1.00 0.00 C ATOM 695 OD1 ASP A 48 3.084 -4.214 17.825 1.00 0.00 O ATOM 696 OD2 ASP A 48 1.633 -5.856 17.988 1.00 0.00 O1- ATOM 0 H ASP A 48 4.208 -3.604 15.933 1.00 0.00 H new ATOM 0 HA ASP A 48 4.140 -6.444 15.706 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.971 -4.331 15.354 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.683 -6.052 15.525 1.00 0.00 H new ATOM 701 N ALA A 49 3.959 -6.970 13.306 1.00 0.00 N ATOM 702 CA ALA A 49 3.921 -7.305 11.888 1.00 0.00 C ATOM 703 C ALA A 49 3.313 -8.689 11.664 1.00 0.00 C ATOM 704 O ALA A 49 3.905 -9.535 10.993 1.00 0.00 O ATOM 705 CB ALA A 49 5.321 -7.238 11.296 1.00 0.00 C ATOM 0 H ALA A 49 4.216 -7.746 13.916 1.00 0.00 H new ATOM 0 HA ALA A 49 3.288 -6.575 11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.280 -7.490 10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.718 -6.230 11.414 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.969 -7.946 11.813 1.00 0.00 H new ATOM 711 N PRO A 50 2.117 -8.939 12.225 1.00 0.00 N ATOM 712 CA PRO A 50 1.434 -10.227 12.083 1.00 0.00 C ATOM 713 C PRO A 50 0.770 -10.385 10.721 1.00 0.00 C ATOM 714 O PRO A 50 0.845 -11.445 10.100 1.00 0.00 O ATOM 715 CB PRO A 50 0.381 -10.182 13.188 1.00 0.00 C ATOM 716 CG PRO A 50 0.062 -8.735 13.341 1.00 0.00 C ATOM 717 CD PRO A 50 1.337 -7.989 13.044 1.00 0.00 C ATOM 0 HA PRO A 50 2.123 -11.068 12.160 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.504 -10.757 12.916 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.763 -10.605 14.117 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.732 -8.437 12.656 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.290 -8.519 14.350 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.142 -7.062 12.505 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.866 -7.721 13.958 1.00 0.00 H new ATOM 725 N LEU A 51 0.121 -9.322 10.266 1.00 0.00 N ATOM 726 CA LEU A 51 -0.563 -9.332 8.977 1.00 0.00 C ATOM 727 C LEU A 51 -1.588 -10.460 8.912 1.00 0.00 C ATOM 728 O LEU A 51 -1.373 -11.471 8.242 1.00 0.00 O ATOM 729 CB LEU A 51 0.449 -9.477 7.839 1.00 0.00 C ATOM 730 CG LEU A 51 0.073 -8.757 6.542 1.00 0.00 C ATOM 731 CD1 LEU A 51 1.117 -9.011 5.466 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.303 -9.200 6.068 1.00 0.00 C ATOM 0 H LEU A 51 0.053 -8.438 10.771 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.088 -8.384 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.413 -9.099 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.581 -10.537 7.623 1.00 0.00 H new ATOM 0 HG LEU A 51 0.041 -7.686 6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.831 -8.491 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.086 -8.644 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.183 -10.081 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.555 -8.678 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.297 -10.275 5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.044 -8.964 6.832 1.00 0.00 H new ATOM 744 N ASN A 52 -2.702 -10.281 9.613 1.00 0.00 N ATOM 745 CA ASN A 52 -3.760 -11.284 9.635 1.00 0.00 C ATOM 746 C ASN A 52 -4.365 -11.467 8.247 1.00 0.00 C ATOM 747 O ASN A 52 -4.503 -12.591 7.762 1.00 0.00 O ATOM 748 CB ASN A 52 -4.851 -10.884 10.630 1.00 0.00 C ATOM 749 CG ASN A 52 -4.326 -10.767 12.048 1.00 0.00 C ATOM 750 OD1 ASN A 52 -3.734 -9.755 12.421 1.00 0.00 O ATOM 751 ND2 ASN A 52 -4.541 -11.807 12.845 1.00 0.00 N ATOM 0 H ASN A 52 -2.896 -9.451 10.173 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.321 -12.231 9.949 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.284 -9.931 10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.653 -11.622 10.602 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.210 -11.787 13.810 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.037 -12.626 12.493 1.00 0.00 H new ATOM 758 N ASN A 53 -4.723 -10.356 7.612 1.00 0.00 N ATOM 759 CA ASN A 53 -5.313 -10.393 6.280 1.00 0.00 C ATOM 760 C ASN A 53 -4.275 -10.795 5.235 1.00 0.00 C ATOM 761 O ASN A 53 -3.915 -10.002 4.364 1.00 0.00 O ATOM 762 CB ASN A 53 -5.911 -9.031 5.928 1.00 0.00 C ATOM 763 CG ASN A 53 -7.353 -8.898 6.377 1.00 0.00 C ATOM 764 OD1 ASN A 53 -7.718 -7.939 7.057 1.00 0.00 O ATOM 765 ND2 ASN A 53 -8.181 -9.864 5.999 1.00 0.00 N ATOM 0 H ASN A 53 -4.615 -9.419 7.999 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.107 -11.140 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.315 -8.245 6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.854 -8.880 4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.163 -9.830 6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.835 -10.641 5.435 1.00 0.00 H new ATOM 772 N GLU A 54 -3.799 -12.032 5.328 1.00 0.00 N ATOM 773 CA GLU A 54 -2.803 -12.541 4.391 1.00 0.00 C ATOM 774 C GLU A 54 -3.428 -13.518 3.397 1.00 0.00 C ATOM 775 O GLU A 54 -2.721 -14.285 2.742 1.00 0.00 O ATOM 776 CB GLU A 54 -1.663 -13.225 5.149 1.00 0.00 C ATOM 777 CG GLU A 54 -0.457 -12.326 5.375 1.00 0.00 C ATOM 778 CD GLU A 54 0.802 -12.862 4.722 1.00 0.00 C ATOM 779 OE1 GLU A 54 1.445 -13.754 5.316 1.00 0.00 O ATOM 780 OE2 GLU A 54 1.146 -12.390 3.618 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.086 -12.701 6.042 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.405 -11.694 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.035 -13.570 6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.348 -14.109 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.671 -11.332 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.287 -12.215 6.446 1.00 0.00 H new ATOM 787 N ASN A 55 -4.754 -13.489 3.287 1.00 0.00 N ATOM 788 CA ASN A 55 -5.463 -14.375 2.371 1.00 0.00 C ATOM 789 C ASN A 55 -4.988 -14.171 0.936 1.00 0.00 C ATOM 790 O ASN A 55 -4.995 -15.102 0.131 1.00 0.00 O ATOM 791 CB ASN A 55 -6.971 -14.133 2.460 1.00 0.00 C ATOM 792 CG ASN A 55 -7.477 -14.157 3.889 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.766 -15.219 4.440 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.587 -12.981 4.497 1.00 0.00 N ATOM 0 H ASN A 55 -5.357 -12.862 3.820 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.248 -15.403 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.209 -13.169 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.493 -14.894 1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.922 -12.934 5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.336 -12.125 4.002 1.00 0.00 H new ATOM 801 N GLY A 56 -4.574 -12.947 0.623 1.00 0.00 N ATOM 802 CA GLY A 56 -4.099 -12.644 -0.714 1.00 0.00 C ATOM 803 C GLY A 56 -4.824 -11.467 -1.336 1.00 0.00 C ATOM 804 O GLY A 56 -4.195 -10.549 -1.863 1.00 0.00 O ATOM 0 H GLY A 56 -4.559 -12.160 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.031 -12.430 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.226 -13.521 -1.348 1.00 0.00 H new ATOM 808 N PHE A 57 -6.151 -11.492 -1.275 1.00 0.00 N ATOM 809 CA PHE A 57 -6.962 -10.418 -1.837 1.00 0.00 C ATOM 810 C PHE A 57 -6.704 -9.105 -1.105 1.00 0.00 C ATOM 811 O PHE A 57 -6.622 -8.043 -1.723 1.00 0.00 O ATOM 812 CB PHE A 57 -8.447 -10.777 -1.759 1.00 0.00 C ATOM 813 CG PHE A 57 -9.227 -10.372 -2.977 1.00 0.00 C ATOM 814 CD1 PHE A 57 -9.062 -9.114 -3.534 1.00 0.00 C ATOM 815 CD2 PHE A 57 -10.126 -11.248 -3.563 1.00 0.00 C ATOM 816 CE1 PHE A 57 -9.779 -8.738 -4.655 1.00 0.00 C ATOM 817 CE2 PHE A 57 -10.846 -10.878 -4.683 1.00 0.00 C ATOM 818 CZ PHE A 57 -10.672 -9.622 -5.230 1.00 0.00 C ATOM 0 H PHE A 57 -6.688 -12.244 -0.842 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.682 -10.292 -2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.545 -11.853 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.883 -10.298 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.366 -8.419 -3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.266 -12.232 -3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.641 -7.755 -5.080 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.544 -11.570 -5.130 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.233 -9.331 -6.106 1.00 0.00 H new ATOM 828 N ASP A 58 -6.577 -9.185 0.216 1.00 0.00 N ATOM 829 CA ASP A 58 -6.329 -8.004 1.033 1.00 0.00 C ATOM 830 C ASP A 58 -4.922 -7.463 0.798 1.00 0.00 C ATOM 831 O ASP A 58 -4.743 -6.281 0.506 1.00 0.00 O ATOM 832 CB ASP A 58 -6.520 -8.333 2.514 1.00 0.00 C ATOM 833 CG ASP A 58 -6.743 -7.094 3.358 1.00 0.00 C ATOM 834 OD1 ASP A 58 -7.899 -6.627 3.433 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -5.762 -6.590 3.944 1.00 0.00 O ATOM 0 H ASP A 58 -6.642 -10.056 0.743 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.046 -7.236 0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.371 -9.004 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.643 -8.866 2.881 1.00 0.00 H new ATOM 840 N LYS A 59 -3.928 -8.335 0.927 1.00 0.00 N ATOM 841 CA LYS A 59 -2.537 -7.942 0.728 1.00 0.00 C ATOM 842 C LYS A 59 -2.328 -7.378 -0.675 1.00 0.00 C ATOM 843 O LYS A 59 -1.690 -6.339 -0.851 1.00 0.00 O ATOM 844 CB LYS A 59 -1.607 -9.136 0.967 1.00 0.00 C ATOM 845 CG LYS A 59 -1.606 -10.154 -0.163 1.00 0.00 C ATOM 846 CD LYS A 59 -0.670 -11.315 0.134 1.00 0.00 C ATOM 847 CE LYS A 59 0.664 -11.150 -0.577 1.00 0.00 C ATOM 848 NZ LYS A 59 1.736 -11.966 0.057 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.059 -9.317 1.168 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.296 -7.161 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.591 -8.769 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.902 -9.634 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.617 -10.531 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.303 -9.669 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.504 -11.385 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.137 -12.249 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.557 -11.441 -1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.953 -10.099 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.633 -11.812 -0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.845 -11.683 1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.480 -12.973 0.009 1.00 0.00 H new ATOM 862 N GLU A 60 -2.872 -8.071 -1.671 1.00 0.00 N ATOM 863 CA GLU A 60 -2.749 -7.640 -3.058 1.00 0.00 C ATOM 864 C GLU A 60 -3.487 -6.326 -3.282 1.00 0.00 C ATOM 865 O GLU A 60 -3.001 -5.441 -3.987 1.00 0.00 O ATOM 866 CB GLU A 60 -3.296 -8.714 -3.999 1.00 0.00 C ATOM 867 CG GLU A 60 -2.358 -9.896 -4.184 1.00 0.00 C ATOM 868 CD GLU A 60 -2.405 -10.463 -5.590 1.00 0.00 C ATOM 869 OE1 GLU A 60 -2.113 -9.711 -6.543 1.00 0.00 O ATOM 870 OE2 GLU A 60 -2.733 -11.659 -5.737 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.402 -8.933 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.692 -7.485 -3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.249 -9.074 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.497 -8.265 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.339 -9.585 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.620 -10.678 -3.472 1.00 0.00 H new ATOM 877 N ASP A 61 -4.664 -6.204 -2.676 1.00 0.00 N ATOM 878 CA ASP A 61 -5.468 -4.996 -2.807 1.00 0.00 C ATOM 879 C ASP A 61 -4.710 -3.782 -2.282 1.00 0.00 C ATOM 880 O ASP A 61 -4.651 -2.743 -2.939 1.00 0.00 O ATOM 881 CB ASP A 61 -6.790 -5.153 -2.053 1.00 0.00 C ATOM 882 CG ASP A 61 -7.843 -5.871 -2.873 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.695 -5.927 -4.112 1.00 0.00 O ATOM 884 OD2 ASP A 61 -8.817 -6.378 -2.277 1.00 0.00 O1- ATOM 0 H ASP A 61 -5.081 -6.927 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.679 -4.841 -3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.615 -5.705 -1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.163 -4.168 -1.770 1.00 0.00 H new ATOM 889 N LEU A 62 -4.130 -3.922 -1.095 1.00 0.00 N ATOM 890 CA LEU A 62 -3.373 -2.837 -0.481 1.00 0.00 C ATOM 891 C LEU A 62 -2.152 -2.478 -1.319 1.00 0.00 C ATOM 892 O LEU A 62 -1.955 -1.319 -1.682 1.00 0.00 O ATOM 893 CB LEU A 62 -2.935 -3.228 0.929 1.00 0.00 C ATOM 894 CG LEU A 62 -2.732 -2.054 1.888 1.00 0.00 C ATOM 895 CD1 LEU A 62 -1.858 -0.982 1.255 1.00 0.00 C ATOM 896 CD2 LEU A 62 -4.071 -1.472 2.308 1.00 0.00 C ATOM 0 H LEU A 62 -4.170 -4.776 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.023 -1.964 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.682 -3.900 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.003 -3.789 0.862 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.222 -2.425 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.728 -0.158 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.884 -1.405 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.334 -0.614 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.907 -0.638 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.607 -1.120 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.660 -2.240 2.809 1.00 0.00 H new ATOM 908 N ALA A 63 -1.331 -3.479 -1.621 1.00 0.00 N ATOM 909 CA ALA A 63 -0.126 -3.266 -2.415 1.00 0.00 C ATOM 910 C ALA A 63 -0.459 -2.627 -3.760 1.00 0.00 C ATOM 911 O ALA A 63 0.103 -1.594 -4.124 1.00 0.00 O ATOM 912 CB ALA A 63 0.611 -4.581 -2.619 1.00 0.00 C ATOM 0 H ALA A 63 -1.478 -4.445 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 63 0.522 -2.581 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.508 -4.407 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.892 -4.995 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.038 -5.285 -3.140 1.00 0.00 H new ATOM 918 N ARG A 64 -1.375 -3.250 -4.494 1.00 0.00 N ATOM 919 CA ARG A 64 -1.783 -2.745 -5.800 1.00 0.00 C ATOM 920 C ARG A 64 -2.439 -1.373 -5.680 1.00 0.00 C ATOM 921 O ARG A 64 -2.229 -0.499 -6.521 1.00 0.00 O ATOM 922 CB ARG A 64 -2.748 -3.726 -6.468 1.00 0.00 C ATOM 923 CG ARG A 64 -2.679 -3.708 -7.987 1.00 0.00 C ATOM 924 CD ARG A 64 -2.952 -2.319 -8.540 1.00 0.00 C ATOM 925 NE ARG A 64 -3.355 -2.359 -9.944 1.00 0.00 N ATOM 926 CZ ARG A 64 -4.502 -2.881 -10.372 1.00 0.00 C ATOM 927 NH1 ARG A 64 -5.362 -3.406 -9.509 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -4.789 -2.877 -11.667 1.00 0.00 N ATOM 0 H ARG A 64 -1.849 -4.106 -4.206 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.889 -2.644 -6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.531 -4.734 -6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.766 -3.491 -6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.694 -4.043 -8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.405 -4.412 -8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.735 -1.842 -7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.057 -1.705 -8.437 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.720 -1.963 -10.637 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.146 -3.411 -8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.240 -3.805 -9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.131 -2.474 -12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.668 -3.277 -11.996 1.00 0.00 H new ATOM 942 N PHE A 65 -3.238 -1.190 -4.633 1.00 0.00 N ATOM 943 CA PHE A 65 -3.926 0.076 -4.410 1.00 0.00 C ATOM 944 C PHE A 65 -2.932 1.205 -4.157 1.00 0.00 C ATOM 945 O PHE A 65 -2.957 2.228 -4.838 1.00 0.00 O ATOM 946 CB PHE A 65 -4.891 -0.044 -3.228 1.00 0.00 C ATOM 947 CG PHE A 65 -5.615 1.234 -2.910 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.559 1.748 -3.785 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.348 1.923 -1.738 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.224 2.924 -3.496 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.009 3.100 -1.443 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.948 3.601 -2.323 1.00 0.00 C ATOM 0 H PHE A 65 -3.424 -1.902 -3.927 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.492 0.313 -5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.623 -0.822 -3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.335 -0.366 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.777 1.223 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.614 1.535 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.958 3.314 -4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.792 3.627 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.466 4.521 -2.095 1.00 0.00 H new ATOM 962 N ALA A 66 -2.062 1.015 -3.172 1.00 0.00 N ATOM 963 CA ALA A 66 -1.066 2.022 -2.829 1.00 0.00 C ATOM 964 C ALA A 66 -0.159 2.332 -4.016 1.00 0.00 C ATOM 965 O ALA A 66 -0.033 3.486 -4.432 1.00 0.00 O ATOM 966 CB ALA A 66 -0.239 1.560 -1.638 1.00 0.00 C ATOM 0 H ALA A 66 -2.026 0.173 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.592 2.938 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.501 2.321 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.893 1.400 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.268 0.628 -1.887 1.00 0.00 H new ATOM 972 N VAL A 67 0.472 1.297 -4.561 1.00 0.00 N ATOM 973 CA VAL A 67 1.367 1.463 -5.699 1.00 0.00 C ATOM 974 C VAL A 67 0.677 2.212 -6.836 1.00 0.00 C ATOM 975 O VAL A 67 1.177 3.229 -7.317 1.00 0.00 O ATOM 976 CB VAL A 67 1.874 0.104 -6.221 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.868 0.299 -7.355 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.497 -0.703 -5.091 1.00 0.00 C ATOM 0 H VAL A 67 0.380 0.336 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 67 2.219 2.046 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 67 1.022 -0.453 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.213 -0.673 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.385 0.832 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.719 0.878 -6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.849 -1.659 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.337 -0.151 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.752 -0.878 -4.315 1.00 0.00 H new ATOM 988 N ARG A 68 -0.476 1.703 -7.258 1.00 0.00 N ATOM 989 CA ARG A 68 -1.236 2.324 -8.336 1.00 0.00 C ATOM 990 C ARG A 68 -1.703 3.722 -7.938 1.00 0.00 C ATOM 991 O ARG A 68 -1.864 4.597 -8.788 1.00 0.00 O ATOM 992 CB ARG A 68 -2.440 1.453 -8.703 1.00 0.00 C ATOM 993 CG ARG A 68 -3.330 2.059 -9.777 1.00 0.00 C ATOM 994 CD ARG A 68 -4.345 1.053 -10.294 1.00 0.00 C ATOM 995 NE ARG A 68 -3.973 0.524 -11.604 1.00 0.00 N ATOM 996 CZ ARG A 68 -4.825 -0.079 -12.430 1.00 0.00 C ATOM 997 NH1 ARG A 68 -6.098 -0.232 -12.086 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -4.404 -0.531 -13.603 1.00 0.00 N ATOM 0 H ARG A 68 -0.904 0.862 -6.870 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.584 2.415 -9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.083 0.482 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.036 1.276 -7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.850 2.927 -9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.714 2.413 -10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.435 0.231 -9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.324 1.527 -10.359 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.003 0.623 -11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.428 0.113 -11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.746 -0.695 -12.723 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.427 -0.417 -13.873 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.057 -0.993 -14.236 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.919 3.925 -6.642 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.367 5.216 -6.133 1.00 0.00 C ATOM 1014 C GLU A 69 -1.300 6.284 -6.350 1.00 0.00 C ATOM 1015 O GLU A 69 -1.603 7.404 -6.761 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.706 5.113 -4.645 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.190 6.420 -4.038 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.422 6.964 -4.733 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -4.293 7.452 -5.875 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -5.517 6.903 -4.134 1.00 0.00 O ATOM 0 H GLU A 69 -1.791 3.211 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.263 5.504 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.474 4.352 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.823 4.775 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.411 6.266 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.391 7.159 -4.092 1.00 0.00 H new ATOM 1027 N TYR A 70 -0.051 5.930 -6.071 1.00 0.00 N ATOM 1028 CA TYR A 70 1.059 6.861 -6.238 1.00 0.00 C ATOM 1029 C TYR A 70 1.635 6.784 -7.653 1.00 0.00 C ATOM 1030 O TYR A 70 2.386 7.663 -8.076 1.00 0.00 O ATOM 1031 CB TYR A 70 2.144 6.577 -5.191 1.00 0.00 C ATOM 1032 CG TYR A 70 3.294 5.725 -5.687 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.345 6.290 -6.399 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.328 4.359 -5.440 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.397 5.516 -6.851 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.377 3.579 -5.887 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.408 4.162 -6.592 1.00 0.00 C ATOM 1038 OH TYR A 70 6.454 3.388 -7.039 1.00 0.00 O ATOM 0 H TYR A 70 0.218 5.008 -5.729 1.00 0.00 H new ATOM 0 HA TYR A 70 0.685 7.874 -6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.541 7.527 -4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.684 6.081 -4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.340 7.351 -6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.521 3.899 -4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.206 5.969 -7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.389 2.518 -5.685 1.00 0.00 H new ATOM 0 HH TYR A 70 6.588 2.634 -6.427 1.00 0.00 H new ATOM 1048 N ASN A 71 1.283 5.726 -8.377 1.00 0.00 N ATOM 1049 CA ASN A 71 1.770 5.536 -9.740 1.00 0.00 C ATOM 1050 C ASN A 71 0.877 6.246 -10.755 1.00 0.00 C ATOM 1051 O ASN A 71 1.355 6.734 -11.779 1.00 0.00 O ATOM 1052 CB ASN A 71 1.844 4.045 -10.072 1.00 0.00 C ATOM 1053 CG ASN A 71 3.191 3.444 -9.722 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.271 2.439 -9.017 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.258 4.060 -10.216 1.00 0.00 N ATOM 0 H ASN A 71 0.663 4.988 -8.044 1.00 0.00 H new ATOM 0 HA ASN A 71 2.767 5.971 -9.799 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.060 3.515 -9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.650 3.902 -11.135 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.192 3.702 -10.015 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.144 4.891 -10.796 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.420 6.292 -10.472 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.374 6.934 -11.371 1.00 0.00 C ATOM 1064 C ASN A 72 -1.259 8.456 -11.309 1.00 0.00 C ATOM 1065 O ASN A 72 -1.421 9.141 -12.319 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.804 6.491 -11.033 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.421 7.290 -9.898 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -4.077 8.306 -10.125 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -3.214 6.832 -8.670 1.00 0.00 N ATOM 0 H ASN A 72 -0.835 5.894 -9.630 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.138 6.623 -12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.428 6.590 -11.921 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.797 5.435 -10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.605 7.327 -7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.664 5.985 -8.528 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.988 8.979 -10.117 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.862 10.422 -9.924 1.00 0.00 C ATOM 1078 C LYS A 73 0.090 11.041 -10.945 1.00 0.00 C ATOM 1079 O LYS A 73 -0.194 12.100 -11.504 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.382 10.737 -8.505 1.00 0.00 C ATOM 1081 CG LYS A 73 0.677 9.780 -7.987 1.00 0.00 C ATOM 1082 CD LYS A 73 1.319 10.297 -6.711 1.00 0.00 C ATOM 1083 CE LYS A 73 2.805 9.980 -6.666 1.00 0.00 C ATOM 1084 NZ LYS A 73 3.579 11.039 -5.962 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.851 8.427 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.850 10.859 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.017 11.751 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.237 10.717 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.227 8.805 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.443 9.637 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.174 11.375 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.825 9.852 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.957 9.025 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.183 9.869 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.587 10.784 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.455 11.946 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.236 11.128 -4.984 1.00 0.00 H new ATOM 1098 N ASN A 74 1.218 10.377 -11.186 1.00 0.00 N ATOM 1099 CA ASN A 74 2.203 10.874 -12.142 1.00 0.00 C ATOM 1100 C ASN A 74 3.369 9.899 -12.294 1.00 0.00 C ATOM 1101 O ASN A 74 3.894 9.712 -13.392 1.00 0.00 O ATOM 1102 CB ASN A 74 2.721 12.250 -11.707 1.00 0.00 C ATOM 1103 CG ASN A 74 3.703 12.172 -10.551 1.00 0.00 C ATOM 1104 OD1 ASN A 74 4.859 12.576 -10.676 1.00 0.00 O ATOM 1105 ND2 ASN A 74 3.247 11.651 -9.418 1.00 0.00 N ATOM 0 H ASN A 74 1.471 9.498 -10.735 1.00 0.00 H new ATOM 0 HA ASN A 74 1.711 10.968 -13.110 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.203 12.736 -12.555 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.877 12.876 -11.419 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.862 11.574 -8.608 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.281 11.328 -9.357 1.00 0.00 H new ATOM 1112 N ASN A 75 3.773 9.288 -11.184 1.00 0.00 N ATOM 1113 CA ASN A 75 4.883 8.338 -11.188 1.00 0.00 C ATOM 1114 C ASN A 75 4.742 7.321 -12.319 1.00 0.00 C ATOM 1115 O ASN A 75 3.716 7.267 -12.997 1.00 0.00 O ATOM 1116 CB ASN A 75 4.965 7.615 -9.842 1.00 0.00 C ATOM 1117 CG ASN A 75 6.371 7.609 -9.275 1.00 0.00 C ATOM 1118 OD1 ASN A 75 6.783 8.549 -8.594 1.00 0.00 O ATOM 1119 ND2 ASN A 75 7.117 6.546 -9.554 1.00 0.00 N ATOM 0 H ASN A 75 3.348 9.434 -10.268 1.00 0.00 H new ATOM 0 HA ASN A 75 5.802 8.900 -11.352 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.292 8.096 -9.132 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.620 6.588 -9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.072 6.486 -9.200 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.735 5.790 -10.122 1.00 0.00 H new ATOM 1126 N ALA A 76 5.784 6.517 -12.518 1.00 0.00 N ATOM 1127 CA ALA A 76 5.783 5.503 -13.567 1.00 0.00 C ATOM 1128 C ALA A 76 4.592 4.560 -13.424 1.00 0.00 C ATOM 1129 O ALA A 76 3.683 4.809 -12.632 1.00 0.00 O ATOM 1130 CB ALA A 76 7.085 4.717 -13.540 1.00 0.00 C ATOM 0 H ALA A 76 6.641 6.549 -11.965 1.00 0.00 H new ATOM 0 HA ALA A 76 5.695 6.011 -14.527 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.072 3.964 -14.328 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.923 5.395 -13.701 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.195 4.228 -12.572 1.00 0.00 H new ATOM 1136 N LEU A 77 4.603 3.478 -14.197 1.00 0.00 N ATOM 1137 CA LEU A 77 3.521 2.502 -14.156 1.00 0.00 C ATOM 1138 C LEU A 77 4.033 1.128 -13.733 1.00 0.00 C ATOM 1139 O LEU A 77 3.612 0.104 -14.270 1.00 0.00 O ATOM 1140 CB LEU A 77 2.838 2.405 -15.521 1.00 0.00 C ATOM 1141 CG LEU A 77 1.327 2.177 -15.468 1.00 0.00 C ATOM 1142 CD1 LEU A 77 0.998 0.985 -14.583 1.00 0.00 C ATOM 1143 CD2 LEU A 77 0.620 3.427 -14.965 1.00 0.00 C ATOM 0 H LEU A 77 5.348 3.256 -14.858 1.00 0.00 H new ATOM 0 HA LEU A 77 2.795 2.840 -13.416 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.033 3.323 -16.075 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.295 1.590 -16.083 1.00 0.00 H new ATOM 0 HG LEU A 77 0.974 1.962 -16.477 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.082 0.838 -14.557 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.476 0.091 -14.984 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.363 1.170 -13.573 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.455 3.249 -14.933 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.978 3.670 -13.964 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.830 4.259 -15.637 1.00 0.00 H new ATOM 1155 N LEU A 78 4.941 1.115 -12.763 1.00 0.00 N ATOM 1156 CA LEU A 78 5.510 -0.135 -12.261 1.00 0.00 C ATOM 1157 C LEU A 78 4.407 -1.100 -11.833 1.00 0.00 C ATOM 1158 O LEU A 78 3.226 -0.756 -11.860 1.00 0.00 O ATOM 1159 CB LEU A 78 6.456 0.133 -11.085 1.00 0.00 C ATOM 1160 CG LEU A 78 6.040 1.275 -10.148 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.656 0.737 -8.778 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.163 2.296 -10.023 1.00 0.00 C ATOM 0 H LEU A 78 5.300 1.954 -12.308 1.00 0.00 H new ATOM 0 HA LEU A 78 6.079 -0.592 -13.071 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.545 -0.781 -10.498 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.447 0.355 -11.482 1.00 0.00 H new ATOM 0 HG LEU A 78 5.168 1.768 -10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.365 1.564 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.820 0.045 -8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.507 0.216 -8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.852 3.099 -9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.052 1.812 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.390 2.709 -11.006 1.00 0.00 H new ATOM 1174 N GLU A 79 4.797 -2.311 -11.442 1.00 0.00 N ATOM 1175 CA GLU A 79 3.830 -3.318 -11.015 1.00 0.00 C ATOM 1176 C GLU A 79 4.369 -4.140 -9.849 1.00 0.00 C ATOM 1177 O GLU A 79 5.509 -4.601 -9.876 1.00 0.00 O ATOM 1178 CB GLU A 79 3.477 -4.241 -12.182 1.00 0.00 C ATOM 1179 CG GLU A 79 2.384 -3.690 -13.084 1.00 0.00 C ATOM 1180 CD GLU A 79 2.932 -3.087 -14.362 1.00 0.00 C ATOM 1181 OE1 GLU A 79 3.929 -3.622 -14.892 1.00 0.00 O ATOM 1182 OE2 GLU A 79 2.364 -2.080 -14.835 1.00 0.00 O1- ATOM 0 H GLU A 79 5.770 -2.617 -11.412 1.00 0.00 H new ATOM 0 HA GLU A 79 2.931 -2.799 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.373 -4.419 -12.777 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.159 -5.206 -11.788 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.687 -4.490 -13.334 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.819 -2.932 -12.542 1.00 0.00 H new ATOM 1189 N PHE A 80 3.539 -4.321 -8.826 1.00 0.00 N ATOM 1190 CA PHE A 80 3.930 -5.090 -7.651 1.00 0.00 C ATOM 1191 C PHE A 80 3.702 -6.583 -7.879 1.00 0.00 C ATOM 1192 O PHE A 80 2.795 -6.977 -8.612 1.00 0.00 O ATOM 1193 CB PHE A 80 3.155 -4.604 -6.416 1.00 0.00 C ATOM 1194 CG PHE A 80 1.966 -5.455 -6.057 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.772 -5.329 -6.749 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.048 -6.382 -5.031 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.319 -6.113 -6.423 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.961 -7.168 -4.700 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.224 -7.034 -5.397 1.00 0.00 C ATOM 0 H PHE A 80 2.592 -3.945 -8.788 1.00 0.00 H new ATOM 0 HA PHE A 80 4.995 -4.936 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.835 -4.572 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.816 -3.583 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.693 -4.611 -7.552 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.972 -6.492 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.244 -6.006 -6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.038 -7.886 -3.897 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.075 -7.648 -5.141 1.00 0.00 H new ATOM 1209 N VAL A 81 4.528 -7.409 -7.245 1.00 0.00 N ATOM 1210 CA VAL A 81 4.410 -8.856 -7.381 1.00 0.00 C ATOM 1211 C VAL A 81 3.782 -9.474 -6.136 1.00 0.00 C ATOM 1212 O VAL A 81 3.022 -10.438 -6.227 1.00 0.00 O ATOM 1213 CB VAL A 81 5.779 -9.516 -7.636 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.224 -9.283 -9.072 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.819 -8.992 -6.658 1.00 0.00 C ATOM 0 H VAL A 81 5.284 -7.102 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 81 3.766 -9.040 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 81 5.677 -10.590 -7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.193 -9.756 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.491 -9.714 -9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.308 -8.212 -9.258 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.778 -9.471 -6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.920 -7.913 -6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.505 -9.216 -5.638 1.00 0.00 H new ATOM 1225 N ARG A 82 4.102 -8.909 -4.974 1.00 0.00 N ATOM 1226 CA ARG A 82 3.568 -9.400 -3.706 1.00 0.00 C ATOM 1227 C ARG A 82 4.166 -8.633 -2.532 1.00 0.00 C ATOM 1228 O ARG A 82 5.178 -7.948 -2.678 1.00 0.00 O ATOM 1229 CB ARG A 82 3.850 -10.891 -3.545 1.00 0.00 C ATOM 1230 CG ARG A 82 5.315 -11.232 -3.698 1.00 0.00 C ATOM 1231 CD ARG A 82 5.515 -12.684 -4.103 1.00 0.00 C ATOM 1232 NE ARG A 82 6.700 -12.861 -4.939 1.00 0.00 N ATOM 1233 CZ ARG A 82 7.103 -14.038 -5.414 1.00 0.00 C ATOM 1234 NH1 ARG A 82 6.420 -15.142 -5.138 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.191 -14.110 -6.167 1.00 0.00 N ATOM 0 H ARG A 82 4.729 -8.110 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 82 2.490 -9.242 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.507 -11.217 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.274 -11.447 -4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.764 -10.580 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.833 -11.042 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.607 -13.300 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.635 -13.034 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 82 7.251 -12.035 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.582 -15.092 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.733 -16.041 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.719 -13.264 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.500 -15.011 -6.531 1.00 0.00 H new ATOM 1249 N VAL A 83 3.536 -8.754 -1.368 1.00 0.00 N ATOM 1250 CA VAL A 83 4.008 -8.070 -0.172 1.00 0.00 C ATOM 1251 C VAL A 83 5.055 -8.903 0.565 1.00 0.00 C ATOM 1252 O VAL A 83 4.958 -10.129 0.624 1.00 0.00 O ATOM 1253 CB VAL A 83 2.844 -7.747 0.789 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.709 -7.060 0.043 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.347 -9.007 1.486 1.00 0.00 C ATOM 0 H VAL A 83 2.698 -9.319 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 83 4.463 -7.136 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 83 3.215 -7.064 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.898 -6.840 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.072 -6.131 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.343 -7.716 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.527 -8.752 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.997 -9.721 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.161 -9.451 2.059 1.00 0.00 H new ATOM 1265 N VAL A 84 6.052 -8.228 1.126 1.00 0.00 N ATOM 1266 CA VAL A 84 7.115 -8.904 1.860 1.00 0.00 C ATOM 1267 C VAL A 84 7.133 -8.487 3.332 1.00 0.00 C ATOM 1268 O VAL A 84 7.757 -9.148 4.162 1.00 0.00 O ATOM 1269 CB VAL A 84 8.496 -8.617 1.237 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.803 -7.126 1.271 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.581 -9.411 1.950 1.00 0.00 C ATOM 0 H VAL A 84 6.146 -7.213 1.086 1.00 0.00 H new ATOM 0 HA VAL A 84 6.908 -9.972 1.797 1.00 0.00 H new ATOM 0 HB VAL A 84 8.474 -8.933 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.782 -6.946 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.043 -6.585 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.804 -6.778 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.548 -9.195 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.604 -9.131 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.369 -10.477 1.862 1.00 0.00 H new ATOM 1281 N LYS A 85 6.448 -7.391 3.652 1.00 0.00 N ATOM 1282 CA LYS A 85 6.396 -6.899 5.025 1.00 0.00 C ATOM 1283 C LYS A 85 5.056 -6.234 5.318 1.00 0.00 C ATOM 1284 O LYS A 85 4.382 -5.747 4.410 1.00 0.00 O ATOM 1285 CB LYS A 85 7.534 -5.908 5.281 1.00 0.00 C ATOM 1286 CG LYS A 85 8.854 -6.315 4.648 1.00 0.00 C ATOM 1287 CD LYS A 85 10.026 -5.589 5.287 1.00 0.00 C ATOM 1288 CE LYS A 85 11.250 -5.603 4.385 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.514 -5.702 5.166 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.923 -6.829 2.981 1.00 0.00 H new ATOM 0 HA LYS A 85 6.510 -7.754 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.244 -4.929 4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.675 -5.801 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.992 -7.391 4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.829 -6.098 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.743 -4.559 5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.270 -6.058 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.183 -6.444 3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.266 -4.696 3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.325 -5.709 4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.591 -4.886 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.510 -6.580 5.723 1.00 0.00 H new ATOM 1303 N ALA A 86 4.675 -6.215 6.592 1.00 0.00 N ATOM 1304 CA ALA A 86 3.415 -5.608 7.005 1.00 0.00 C ATOM 1305 C ALA A 86 3.455 -5.198 8.473 1.00 0.00 C ATOM 1306 O ALA A 86 3.929 -5.949 9.325 1.00 0.00 O ATOM 1307 CB ALA A 86 2.263 -6.568 6.756 1.00 0.00 C ATOM 0 H ALA A 86 5.221 -6.613 7.356 1.00 0.00 H new ATOM 0 HA ALA A 86 3.262 -4.708 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.328 -6.103 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.212 -6.807 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.422 -7.483 7.327 1.00 0.00 H new ATOM 1313 N LYS A 87 2.954 -4.002 8.760 1.00 0.00 N ATOM 1314 CA LYS A 87 2.929 -3.487 10.125 1.00 0.00 C ATOM 1315 C LYS A 87 1.700 -2.613 10.351 1.00 0.00 C ATOM 1316 O LYS A 87 1.119 -2.086 9.402 1.00 0.00 O ATOM 1317 CB LYS A 87 4.200 -2.687 10.414 1.00 0.00 C ATOM 1318 CG LYS A 87 5.476 -3.503 10.285 1.00 0.00 C ATOM 1319 CD LYS A 87 6.081 -3.375 8.896 1.00 0.00 C ATOM 1320 CE LYS A 87 7.204 -4.376 8.684 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.361 -4.113 9.584 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.559 -3.369 8.064 1.00 0.00 H new ATOM 0 HA LYS A 87 2.881 -4.335 10.808 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.250 -1.840 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.140 -2.278 11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.199 -3.170 11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.262 -4.551 10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.307 -3.531 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.462 -2.364 8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.829 -5.384 8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.535 -4.336 7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.112 -4.807 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.725 -3.154 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.055 -4.194 10.575 1.00 0.00 H new ATOM 1335 N GLU A 88 1.309 -2.463 11.612 1.00 0.00 N ATOM 1336 CA GLU A 88 0.147 -1.652 11.960 1.00 0.00 C ATOM 1337 C GLU A 88 0.564 -0.384 12.697 1.00 0.00 C ATOM 1338 O GLU A 88 1.550 -0.378 13.435 1.00 0.00 O ATOM 1339 CB GLU A 88 -0.824 -2.460 12.822 1.00 0.00 C ATOM 1340 CG GLU A 88 -0.248 -2.868 14.168 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.762 -4.215 14.638 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.997 -5.093 13.782 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -0.931 -4.391 15.863 1.00 0.00 O ATOM 0 H GLU A 88 1.779 -2.892 12.409 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.351 -1.363 11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.727 -1.872 12.986 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.122 -3.356 12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.839 -2.902 14.098 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.496 -2.109 14.910 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.194 0.689 12.494 1.00 0.00 N ATOM 1351 CA GLN A 89 0.093 1.965 13.139 1.00 0.00 C ATOM 1352 C GLN A 89 -1.197 2.717 13.450 1.00 0.00 C ATOM 1353 O GLN A 89 -2.148 2.687 12.668 1.00 0.00 O ATOM 1354 CB GLN A 89 0.995 2.820 12.246 1.00 0.00 C ATOM 1355 CG GLN A 89 1.364 4.161 12.859 1.00 0.00 C ATOM 1356 CD GLN A 89 2.685 4.119 13.603 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.673 4.710 13.170 1.00 0.00 O ATOM 1358 NE2 GLN A 89 2.707 3.416 14.730 1.00 0.00 N ATOM 0 H GLN A 89 -1.013 0.700 11.887 1.00 0.00 H new ATOM 0 HA GLN A 89 0.610 1.763 14.077 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.908 2.266 12.029 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.492 2.991 11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.418 4.913 12.072 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.575 4.472 13.544 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.863 2.942 15.052 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.568 3.351 15.274 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.224 3.390 14.595 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.399 4.149 15.009 1.00 0.00 C ATOM 1369 C VAL A 90 -2.101 5.644 15.059 1.00 0.00 C ATOM 1370 O VAL A 90 -1.270 6.095 15.847 1.00 0.00 O ATOM 1371 CB VAL A 90 -2.905 3.692 16.389 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.240 4.346 16.713 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.020 2.176 16.441 1.00 0.00 C ATOM 0 H VAL A 90 -0.446 3.426 15.253 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.173 3.961 14.265 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.181 4.005 17.142 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.581 4.011 17.692 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.122 5.430 16.721 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.975 4.067 15.958 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.379 1.872 17.424 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.721 1.838 15.678 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.042 1.730 16.258 1.00 0.00 H new ATOM 1383 N VAL A 91 -2.788 6.407 14.214 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.601 7.852 14.162 1.00 0.00 C ATOM 1385 C VAL A 91 -3.798 8.535 13.510 1.00 0.00 C ATOM 1386 O VAL A 91 -3.958 8.499 12.290 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.325 8.228 13.385 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.087 7.960 14.226 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.257 7.469 12.068 1.00 0.00 C ATOM 0 H VAL A 91 -3.479 6.048 13.556 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.503 8.196 15.192 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.361 9.294 13.162 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.804 8.232 13.659 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.132 8.554 15.139 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.044 6.902 14.483 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.349 7.748 11.534 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.247 6.397 12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.127 7.717 11.460 1.00 0.00 H new ATOM 1399 N SER A 92 -4.639 9.156 14.332 1.00 0.00 N ATOM 1400 CA SER A 92 -5.824 9.845 13.834 1.00 0.00 C ATOM 1401 C SER A 92 -6.745 8.880 13.093 1.00 0.00 C ATOM 1402 O SER A 92 -7.494 9.281 12.203 1.00 0.00 O ATOM 1403 CB SER A 92 -5.420 10.995 12.910 1.00 0.00 C ATOM 1404 OG SER A 92 -6.558 11.701 12.446 1.00 0.00 O ATOM 0 H SER A 92 -4.522 9.196 15.344 1.00 0.00 H new ATOM 0 HA SER A 92 -6.365 10.249 14.690 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.757 11.677 13.442 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.860 10.604 12.061 1.00 0.00 H new ATOM 0 HG SER A 92 -7.275 11.066 12.237 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.681 7.606 13.466 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.510 6.602 12.828 1.00 0.00 C ATOM 1412 C GLY A 93 -6.813 5.260 12.733 1.00 0.00 C ATOM 1413 O GLY A 93 -6.577 4.602 13.746 1.00 0.00 O ATOM 0 H GLY A 93 -6.068 7.251 14.200 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.437 6.489 13.389 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.782 6.940 11.828 1.00 0.00 H new ATOM 1417 N MET A 94 -6.479 4.856 11.513 1.00 0.00 N ATOM 1418 CA MET A 94 -5.800 3.586 11.288 1.00 0.00 C ATOM 1419 C MET A 94 -4.812 3.698 10.132 1.00 0.00 C ATOM 1420 O MET A 94 -5.205 3.906 8.985 1.00 0.00 O ATOM 1421 CB MET A 94 -6.819 2.482 10.999 1.00 0.00 C ATOM 1422 CG MET A 94 -7.650 2.089 12.209 1.00 0.00 C ATOM 1423 SD MET A 94 -6.719 1.110 13.402 1.00 0.00 S ATOM 1424 CE MET A 94 -6.889 2.117 14.873 1.00 0.00 C ATOM 0 H MET A 94 -6.667 5.390 10.664 1.00 0.00 H new ATOM 0 HA MET A 94 -5.248 3.331 12.193 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.486 2.814 10.203 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.293 1.602 10.628 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.024 2.990 12.696 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.520 1.521 11.879 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.063 1.474 15.736 1.00 0.00 H new ATOM 0 HE2 MET A 94 -5.976 2.692 15.028 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.731 2.798 14.752 1.00 0.00 H new ATOM 1434 N MET A 95 -3.527 3.559 10.442 1.00 0.00 N ATOM 1435 CA MET A 95 -2.482 3.643 9.429 1.00 0.00 C ATOM 1436 C MET A 95 -1.765 2.306 9.279 1.00 0.00 C ATOM 1437 O MET A 95 -1.296 1.728 10.260 1.00 0.00 O ATOM 1438 CB MET A 95 -1.478 4.740 9.791 1.00 0.00 C ATOM 1439 CG MET A 95 -1.009 5.553 8.596 1.00 0.00 C ATOM 1440 SD MET A 95 0.004 6.967 9.071 1.00 0.00 S ATOM 1441 CE MET A 95 -1.026 8.323 8.519 1.00 0.00 C ATOM 0 H MET A 95 -3.185 3.388 11.387 1.00 0.00 H new ATOM 0 HA MET A 95 -2.950 3.892 8.477 1.00 0.00 H new ATOM 0 HB2 MET A 95 -1.932 5.411 10.520 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.613 4.285 10.272 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.437 4.910 7.926 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.877 5.904 8.037 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.409 9.207 8.358 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.518 8.050 7.586 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.779 8.540 9.277 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.686 1.816 8.046 1.00 0.00 N ATOM 1452 CA HIS A 96 -1.029 0.544 7.770 1.00 0.00 C ATOM 1453 C HIS A 96 0.265 0.750 6.990 1.00 0.00 C ATOM 1454 O HIS A 96 0.293 1.467 5.990 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.967 -0.378 6.988 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.773 -1.830 7.295 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.511 -2.303 8.564 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.804 -2.918 6.490 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.388 -3.618 8.526 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.562 -4.016 7.279 1.00 0.00 N ATOM 0 H HIS A 96 -2.069 2.281 7.223 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.783 0.080 8.725 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.999 -0.104 7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.814 -0.217 5.921 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.985 -2.922 5.425 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.181 -4.258 9.371 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.523 -4.982 6.954 1.00 0.00 H new ATOM 1469 N TYR A 97 1.334 0.111 7.454 1.00 0.00 N ATOM 1470 CA TYR A 97 2.634 0.214 6.803 1.00 0.00 C ATOM 1471 C TYR A 97 3.107 -1.158 6.334 1.00 0.00 C ATOM 1472 O TYR A 97 3.586 -1.962 7.133 1.00 0.00 O ATOM 1473 CB TYR A 97 3.664 0.815 7.762 1.00 0.00 C ATOM 1474 CG TYR A 97 3.446 2.282 8.055 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.243 2.735 8.582 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.445 3.215 7.806 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.041 4.075 8.852 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.251 4.556 8.074 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.048 4.981 8.597 1.00 0.00 C ATOM 1480 OH TYR A 97 2.852 6.316 8.865 1.00 0.00 O ATOM 0 H TYR A 97 1.325 -0.486 8.281 1.00 0.00 H new ATOM 0 HA TYR A 97 2.531 0.867 5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.640 0.260 8.700 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.660 0.683 7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.452 2.028 8.784 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.389 2.886 7.396 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.099 4.411 9.261 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.038 5.268 7.875 1.00 0.00 H new ATOM 0 HH TYR A 97 1.990 6.436 9.316 1.00 0.00 H new ATOM 1490 N LEU A 98 2.968 -1.425 5.039 1.00 0.00 N ATOM 1491 CA LEU A 98 3.382 -2.709 4.484 1.00 0.00 C ATOM 1492 C LEU A 98 4.333 -2.522 3.307 1.00 0.00 C ATOM 1493 O LEU A 98 4.169 -1.610 2.497 1.00 0.00 O ATOM 1494 CB LEU A 98 2.163 -3.528 4.049 1.00 0.00 C ATOM 1495 CG LEU A 98 1.014 -2.725 3.434 1.00 0.00 C ATOM 1496 CD1 LEU A 98 1.500 -1.923 2.237 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -0.119 -3.655 3.027 1.00 0.00 C ATOM 0 H LEU A 98 2.575 -0.775 4.359 1.00 0.00 H new ATOM 0 HA LEU A 98 3.911 -3.252 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.489 -4.275 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.782 -4.068 4.916 1.00 0.00 H new ATOM 0 HG LEU A 98 0.641 -2.027 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.668 -1.360 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.282 -1.233 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.899 -2.601 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.930 -3.071 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.246 -4.374 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.486 -4.187 3.905 1.00 0.00 H new ATOM 1509 N THR A 99 5.331 -3.396 3.221 1.00 0.00 N ATOM 1510 CA THR A 99 6.310 -3.335 2.144 1.00 0.00 C ATOM 1511 C THR A 99 6.067 -4.451 1.135 1.00 0.00 C ATOM 1512 O THR A 99 5.698 -5.564 1.507 1.00 0.00 O ATOM 1513 CB THR A 99 7.727 -3.441 2.708 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.779 -2.937 4.031 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.755 -2.689 1.890 1.00 0.00 C ATOM 0 H THR A 99 5.482 -4.155 3.885 1.00 0.00 H new ATOM 0 HA THR A 99 6.202 -2.376 1.637 1.00 0.00 H new ATOM 0 HB THR A 99 7.970 -4.503 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.693 -3.015 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.738 -2.806 2.345 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.775 -3.088 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.493 -1.631 1.859 1.00 0.00 H new ATOM 1523 N VAL A 100 6.272 -4.147 -0.142 1.00 0.00 N ATOM 1524 CA VAL A 100 6.068 -5.130 -1.197 1.00 0.00 C ATOM 1525 C VAL A 100 7.149 -5.023 -2.270 1.00 0.00 C ATOM 1526 O VAL A 100 7.790 -3.982 -2.417 1.00 0.00 O ATOM 1527 CB VAL A 100 4.675 -4.972 -1.849 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.604 -4.787 -0.785 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.658 -3.809 -2.833 1.00 0.00 C ATOM 0 H VAL A 100 6.578 -3.231 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 100 6.129 -6.114 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 100 4.458 -5.885 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.631 -4.678 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.590 -5.657 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.823 -3.894 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.666 -3.722 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.904 -2.885 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.392 -3.987 -3.619 1.00 0.00 H new ATOM 1539 N GLU A 101 7.339 -6.101 -3.023 1.00 0.00 N ATOM 1540 CA GLU A 101 8.335 -6.121 -4.086 1.00 0.00 C ATOM 1541 C GLU A 101 7.722 -5.637 -5.394 1.00 0.00 C ATOM 1542 O GLU A 101 6.710 -6.168 -5.850 1.00 0.00 O ATOM 1543 CB GLU A 101 8.906 -7.529 -4.260 1.00 0.00 C ATOM 1544 CG GLU A 101 10.101 -7.815 -3.366 1.00 0.00 C ATOM 1545 CD GLU A 101 10.484 -9.282 -3.355 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.940 -10.032 -2.517 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 11.328 -9.682 -4.185 1.00 0.00 O ATOM 0 H GLU A 101 6.817 -6.971 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 101 9.148 -5.449 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.123 -8.258 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.200 -7.667 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.952 -7.224 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.874 -7.495 -2.349 1.00 0.00 H new ATOM 1554 N VAL A 102 8.331 -4.615 -5.985 1.00 0.00 N ATOM 1555 CA VAL A 102 7.832 -4.049 -7.232 1.00 0.00 C ATOM 1556 C VAL A 102 8.806 -4.273 -8.382 1.00 0.00 C ATOM 1557 O VAL A 102 10.023 -4.242 -8.199 1.00 0.00 O ATOM 1558 CB VAL A 102 7.566 -2.538 -7.091 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.764 -2.023 -8.277 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.849 -2.239 -5.782 1.00 0.00 C ATOM 0 H VAL A 102 9.170 -4.162 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 102 6.897 -4.564 -7.454 1.00 0.00 H new ATOM 0 HB VAL A 102 8.525 -2.020 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.586 -0.954 -8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.321 -2.199 -9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.809 -2.547 -8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.670 -1.167 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.896 -2.768 -5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.466 -2.568 -4.946 1.00 0.00 H new ATOM 1570 N ASN A 103 8.255 -4.494 -9.572 1.00 0.00 N ATOM 1571 CA ASN A 103 9.060 -4.718 -10.764 1.00 0.00 C ATOM 1572 C ASN A 103 8.742 -3.673 -11.829 1.00 0.00 C ATOM 1573 O ASN A 103 7.624 -3.158 -11.893 1.00 0.00 O ATOM 1574 CB ASN A 103 8.810 -6.121 -11.319 1.00 0.00 C ATOM 1575 CG ASN A 103 9.810 -6.506 -12.392 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.897 -5.859 -13.436 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.570 -7.565 -12.140 1.00 0.00 N ATOM 0 H ASN A 103 7.248 -4.522 -9.735 1.00 0.00 H new ATOM 0 HA ASN A 103 10.111 -4.629 -10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.858 -6.844 -10.505 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.802 -6.171 -11.731 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.260 -7.872 -12.825 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.464 -8.071 -11.261 1.00 0.00 H new ATOM 1584 N ASP A 104 9.730 -3.362 -12.662 1.00 0.00 N ATOM 1585 CA ASP A 104 9.553 -2.377 -13.723 1.00 0.00 C ATOM 1586 C ASP A 104 10.444 -2.695 -14.919 1.00 0.00 C ATOM 1587 O ASP A 104 11.657 -2.487 -14.875 1.00 0.00 O ATOM 1588 CB ASP A 104 9.864 -0.973 -13.200 1.00 0.00 C ATOM 1589 CG ASP A 104 9.081 0.102 -13.927 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.013 -0.219 -14.489 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 9.537 1.265 -13.936 1.00 0.00 O ATOM 0 H ASP A 104 10.661 -3.777 -12.623 1.00 0.00 H new ATOM 0 HA ASP A 104 8.514 -2.415 -14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.637 -0.927 -12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.931 -0.777 -13.307 1.00 0.00 H new ATOM 1596 N ALA A 105 9.835 -3.199 -15.987 1.00 0.00 N ATOM 1597 CA ALA A 105 10.572 -3.545 -17.197 1.00 0.00 C ATOM 1598 C ALA A 105 11.685 -4.544 -16.898 1.00 0.00 C ATOM 1599 O ALA A 105 12.715 -4.560 -17.571 1.00 0.00 O ATOM 1600 CB ALA A 105 11.145 -2.292 -17.841 1.00 0.00 C ATOM 0 H ALA A 105 8.832 -3.377 -16.039 1.00 0.00 H new ATOM 0 HA ALA A 105 9.877 -4.014 -17.893 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.693 -2.565 -18.743 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.333 -1.613 -18.101 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.820 -1.800 -17.141 1.00 0.00 H new ATOM 1606 N GLY A 106 11.471 -5.376 -15.884 1.00 0.00 N ATOM 1607 CA GLY A 106 12.465 -6.366 -15.515 1.00 0.00 C ATOM 1608 C GLY A 106 13.193 -6.009 -14.233 1.00 0.00 C ATOM 1609 O GLY A 106 13.667 -6.889 -13.515 1.00 0.00 O ATOM 0 H GLY A 106 10.627 -5.382 -15.311 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.981 -7.335 -15.396 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.189 -6.468 -16.324 1.00 0.00 H new ATOM 1613 N LYS A 107 13.281 -4.714 -13.945 1.00 0.00 N ATOM 1614 CA LYS A 107 13.956 -4.244 -12.741 1.00 0.00 C ATOM 1615 C LYS A 107 13.152 -4.599 -11.494 1.00 0.00 C ATOM 1616 O LYS A 107 12.089 -4.031 -11.247 1.00 0.00 O ATOM 1617 CB LYS A 107 14.173 -2.731 -12.809 1.00 0.00 C ATOM 1618 CG LYS A 107 15.461 -2.332 -13.509 1.00 0.00 C ATOM 1619 CD LYS A 107 15.512 -0.836 -13.773 1.00 0.00 C ATOM 1620 CE LYS A 107 15.461 -0.040 -12.479 1.00 0.00 C ATOM 1621 NZ LYS A 107 15.628 1.420 -12.718 1.00 0.00 N1+ ATOM 0 H LYS A 107 12.894 -3.972 -14.529 1.00 0.00 H new ATOM 0 HA LYS A 107 14.925 -4.740 -12.681 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.331 -2.275 -13.329 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.180 -2.327 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.314 -2.624 -12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.546 -2.872 -14.452 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.425 -0.592 -14.316 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.676 -0.549 -14.411 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.509 -0.219 -11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.244 -0.390 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.587 1.927 -11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 16.548 1.595 -13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.866 1.760 -13.339 1.00 0.00 H new ATOM 1635 N LYS A 108 13.669 -5.542 -10.713 1.00 0.00 N ATOM 1636 CA LYS A 108 13.001 -5.975 -9.490 1.00 0.00 C ATOM 1637 C LYS A 108 13.533 -5.211 -8.281 1.00 0.00 C ATOM 1638 O LYS A 108 14.731 -4.946 -8.182 1.00 0.00 O ATOM 1639 CB LYS A 108 13.198 -7.479 -9.287 1.00 0.00 C ATOM 1640 CG LYS A 108 12.559 -8.015 -8.016 1.00 0.00 C ATOM 1641 CD LYS A 108 11.222 -8.680 -8.301 1.00 0.00 C ATOM 1642 CE LYS A 108 10.446 -8.939 -7.020 1.00 0.00 C ATOM 1643 NZ LYS A 108 10.545 -10.360 -6.587 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.549 -6.021 -10.905 1.00 0.00 H new ATOM 0 HA LYS A 108 11.936 -5.764 -9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.782 -8.009 -10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.266 -7.697 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.230 -8.733 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.417 -7.199 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.633 -8.046 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.387 -9.622 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.825 -8.292 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.399 -8.678 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.640 -10.841 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.299 -10.835 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.766 -10.399 -5.571 1.00 0.00 H new ATOM 1657 N LYS A 109 12.637 -4.860 -7.364 1.00 0.00 N ATOM 1658 CA LYS A 109 13.024 -4.128 -6.164 1.00 0.00 C ATOM 1659 C LYS A 109 11.973 -4.267 -5.067 1.00 0.00 C ATOM 1660 O LYS A 109 10.963 -4.949 -5.241 1.00 0.00 O ATOM 1661 CB LYS A 109 13.241 -2.649 -6.491 1.00 0.00 C ATOM 1662 CG LYS A 109 14.683 -2.306 -6.827 1.00 0.00 C ATOM 1663 CD LYS A 109 15.025 -0.881 -6.423 1.00 0.00 C ATOM 1664 CE LYS A 109 16.523 -0.630 -6.480 1.00 0.00 C ATOM 1665 NZ LYS A 109 16.837 0.764 -6.899 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.641 -5.070 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 109 13.957 -4.557 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.605 -2.374 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.922 -2.047 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.351 -3.000 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.848 -2.432 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.512 -0.182 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.661 -0.691 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.961 -0.822 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.982 -1.331 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.868 0.895 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.441 0.940 -7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.421 1.433 -6.220 1.00 0.00 H new ATOM 1679 N LEU A 110 12.221 -3.612 -3.938 1.00 0.00 N ATOM 1680 CA LEU A 110 11.304 -3.652 -2.805 1.00 0.00 C ATOM 1681 C LEU A 110 10.975 -2.240 -2.333 1.00 0.00 C ATOM 1682 O LEU A 110 11.852 -1.511 -1.871 1.00 0.00 O ATOM 1683 CB LEU A 110 11.914 -4.464 -1.657 1.00 0.00 C ATOM 1684 CG LEU A 110 11.203 -4.332 -0.306 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.702 -4.518 -0.468 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.762 -5.337 0.689 1.00 0.00 C ATOM 0 H LEU A 110 13.054 -3.044 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 110 10.381 -4.134 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.921 -5.516 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.953 -4.160 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 110 11.382 -3.328 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.216 -4.420 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.312 -3.759 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.500 -5.508 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.246 -5.230 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.614 -6.347 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.827 -5.155 0.830 1.00 0.00 H new ATOM 1698 N TYR A 111 9.709 -1.859 -2.454 1.00 0.00 N ATOM 1699 CA TYR A 111 9.270 -0.533 -2.040 1.00 0.00 C ATOM 1700 C TYR A 111 8.247 -0.621 -0.911 1.00 0.00 C ATOM 1701 O TYR A 111 7.373 -1.488 -0.916 1.00 0.00 O ATOM 1702 CB TYR A 111 8.671 0.222 -3.229 1.00 0.00 C ATOM 1703 CG TYR A 111 9.530 0.184 -4.477 1.00 0.00 C ATOM 1704 CD1 TYR A 111 10.918 0.133 -4.395 1.00 0.00 C ATOM 1705 CD2 TYR A 111 8.949 0.202 -5.739 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.699 0.102 -5.534 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.725 0.170 -6.882 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.098 0.121 -6.775 1.00 0.00 C ATOM 1709 OH TYR A 111 11.872 0.090 -7.913 1.00 0.00 O ATOM 0 H TYR A 111 8.969 -2.449 -2.835 1.00 0.00 H new ATOM 0 HA TYR A 111 10.140 0.010 -1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.693 -0.201 -3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.509 1.261 -2.943 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.393 0.117 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.873 0.242 -5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.775 0.063 -5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.257 0.183 -7.855 1.00 0.00 H new ATOM 0 HH TYR A 111 11.293 0.108 -8.703 1.00 0.00 H new ATOM 1719 N GLU A 112 8.364 0.285 0.055 1.00 0.00 N ATOM 1720 CA GLU A 112 7.452 0.315 1.192 1.00 0.00 C ATOM 1721 C GLU A 112 6.276 1.247 0.918 1.00 0.00 C ATOM 1722 O GLU A 112 6.425 2.272 0.252 1.00 0.00 O ATOM 1723 CB GLU A 112 8.190 0.765 2.454 1.00 0.00 C ATOM 1724 CG GLU A 112 7.633 0.160 3.732 1.00 0.00 C ATOM 1725 CD GLU A 112 7.634 1.140 4.889 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.705 1.711 5.183 1.00 0.00 O1- ATOM 1727 OE2 GLU A 112 6.563 1.337 5.501 1.00 0.00 O ATOM 0 H GLU A 112 9.083 1.009 0.072 1.00 0.00 H new ATOM 0 HA GLU A 112 7.068 -0.693 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.243 0.498 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.142 1.852 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.614 -0.184 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.223 -0.716 4.002 1.00 0.00 H new ATOM 1734 N ALA A 113 5.106 0.884 1.434 1.00 0.00 N ATOM 1735 CA ALA A 113 3.905 1.687 1.243 1.00 0.00 C ATOM 1736 C ALA A 113 3.134 1.844 2.549 1.00 0.00 C ATOM 1737 O ALA A 113 2.926 0.874 3.281 1.00 0.00 O ATOM 1738 CB ALA A 113 3.018 1.062 0.177 1.00 0.00 C ATOM 0 H ALA A 113 4.965 0.039 1.987 1.00 0.00 H new ATOM 0 HA ALA A 113 4.211 2.679 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.124 1.672 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.564 1.008 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.729 0.058 0.487 1.00 0.00 H new ATOM 1744 N LYS A 114 2.708 3.072 2.835 1.00 0.00 N ATOM 1745 CA LYS A 114 1.955 3.353 4.054 1.00 0.00 C ATOM 1746 C LYS A 114 0.611 3.994 3.725 1.00 0.00 C ATOM 1747 O LYS A 114 0.552 5.097 3.182 1.00 0.00 O ATOM 1748 CB LYS A 114 2.758 4.261 4.991 1.00 0.00 C ATOM 1749 CG LYS A 114 3.566 5.333 4.275 1.00 0.00 C ATOM 1750 CD LYS A 114 4.676 5.877 5.161 1.00 0.00 C ATOM 1751 CE LYS A 114 5.802 4.869 5.324 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.863 5.051 4.296 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.871 3.885 2.242 1.00 0.00 H new ATOM 0 HA LYS A 114 1.772 2.406 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.073 4.743 5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.435 3.646 5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.996 4.918 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.907 6.147 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.070 6.797 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.270 6.132 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.238 4.970 6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.398 3.859 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.085 4.133 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.528 5.710 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.718 5.437 4.744 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.468 3.291 4.057 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.816 3.784 3.797 1.00 0.00 C ATOM 1768 C VAL A 115 -2.497 4.232 5.088 1.00 0.00 C ATOM 1769 O VAL A 115 -2.218 3.703 6.163 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.683 2.708 3.113 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -2.851 1.495 4.016 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -4.037 3.279 2.718 1.00 0.00 C ATOM 0 H VAL A 115 -0.434 2.376 4.507 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.719 4.639 3.128 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.172 2.386 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.466 0.749 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.873 1.069 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.335 1.797 4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.633 2.503 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.555 3.635 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.894 4.108 2.025 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.389 5.211 4.973 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.108 5.729 6.133 1.00 0.00 C ATOM 1784 C TRP A 116 -5.616 5.623 5.936 1.00 0.00 C ATOM 1785 O TRP A 116 -6.119 5.763 4.819 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.718 7.185 6.391 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.314 7.748 7.645 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.384 7.141 8.866 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -4.926 9.034 7.800 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.001 7.971 9.771 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.343 9.139 9.140 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.160 10.107 6.935 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -5.980 10.275 9.635 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -5.793 11.233 7.427 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.196 11.309 8.766 1.00 0.00 C ATOM 0 H TRP A 116 -3.631 5.661 4.090 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.832 5.125 6.997 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.632 7.257 6.450 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.033 7.793 5.543 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.009 6.153 9.088 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.176 7.753 10.752 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -4.852 10.057 5.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.292 10.337 10.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -5.980 12.068 6.768 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.688 12.203 9.120 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.330 5.376 7.030 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.782 5.250 6.989 1.00 0.00 C ATOM 1808 C GLU A 117 -8.395 5.575 8.348 1.00 0.00 C ATOM 1809 O GLU A 117 -8.072 4.941 9.353 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.179 3.835 6.564 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.682 3.624 6.481 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.226 2.835 7.656 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.690 2.989 8.773 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.188 2.063 7.459 1.00 0.00 O ATOM 0 H GLU A 117 -5.924 5.259 7.959 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.163 5.963 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.736 3.619 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.759 3.121 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.179 4.593 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.921 3.101 5.555 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.280 6.567 8.373 1.00 0.00 N ATOM 1822 CA GLN A 118 -9.936 6.976 9.607 1.00 0.00 C ATOM 1823 C GLN A 118 -11.357 6.424 9.676 1.00 0.00 C ATOM 1824 O GLN A 118 -11.834 5.790 8.735 1.00 0.00 O ATOM 1825 CB GLN A 118 -9.966 8.501 9.709 1.00 0.00 C ATOM 1826 CG GLN A 118 -8.718 9.178 9.166 1.00 0.00 C ATOM 1827 CD GLN A 118 -8.831 9.511 7.691 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.580 10.406 7.300 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.084 8.790 6.862 1.00 0.00 N ATOM 0 H GLN A 118 -9.559 7.102 7.551 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.367 6.572 10.444 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.835 8.875 9.168 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.095 8.783 10.754 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.532 10.093 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.858 8.527 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.477 8.057 7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.118 8.969 5.858 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.027 6.671 10.797 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.394 6.200 10.990 1.00 0.00 C ATOM 1840 C VAL A 119 -14.357 7.369 11.182 1.00 0.00 C ATOM 1841 O VAL A 119 -15.497 7.329 10.718 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.495 5.255 12.204 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.098 5.977 13.483 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.900 4.681 12.322 1.00 0.00 C ATOM 0 H VAL A 119 -11.646 7.194 11.585 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.672 5.652 10.090 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.801 4.428 12.052 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.177 5.292 14.327 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.071 6.331 13.397 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.762 6.827 13.642 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.950 4.017 13.185 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.616 5.494 12.447 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.141 4.121 11.418 1.00 0.00 H new ATOM 1854 N TRP A 120 -13.891 8.407 11.868 1.00 0.00 N ATOM 1855 CA TRP A 120 -14.710 9.588 12.122 1.00 0.00 C ATOM 1856 C TRP A 120 -14.650 10.562 10.948 1.00 0.00 C ATOM 1857 O TRP A 120 -15.531 11.408 10.787 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.247 10.288 13.400 1.00 0.00 C ATOM 1859 CG TRP A 120 -12.793 10.646 13.386 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.230 11.767 12.848 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -11.716 9.877 13.933 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -10.868 11.743 13.028 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -10.528 10.593 13.691 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -11.640 8.654 14.604 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.281 10.126 14.097 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.402 8.191 15.006 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.237 8.925 14.752 1.00 0.00 C ATOM 0 H TRP A 120 -12.950 8.455 12.259 1.00 0.00 H new ATOM 0 HA TRP A 120 -15.742 9.260 12.244 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -14.836 11.194 13.543 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.446 9.640 14.254 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -12.775 12.557 12.353 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.216 12.464 12.718 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.533 8.081 14.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.381 10.691 13.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.332 7.247 15.525 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.284 8.536 15.080 1.00 0.00 H new ATOM 1878 N MET A 121 -13.610 10.438 10.128 1.00 0.00 N ATOM 1879 CA MET A 121 -13.442 11.306 8.969 1.00 0.00 C ATOM 1880 C MET A 121 -13.955 10.624 7.705 1.00 0.00 C ATOM 1881 O MET A 121 -14.302 11.287 6.727 1.00 0.00 O ATOM 1882 CB MET A 121 -11.970 11.687 8.801 1.00 0.00 C ATOM 1883 CG MET A 121 -11.707 12.592 7.607 1.00 0.00 C ATOM 1884 SD MET A 121 -10.731 14.047 8.035 1.00 0.00 S ATOM 1885 CE MET A 121 -9.425 13.951 6.813 1.00 0.00 C ATOM 0 H MET A 121 -12.871 9.744 10.246 1.00 0.00 H new ATOM 0 HA MET A 121 -14.025 12.212 9.133 1.00 0.00 H new ATOM 0 HB2 MET A 121 -11.627 12.186 9.707 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.378 10.778 8.695 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.187 12.025 6.835 1.00 0.00 H new ATOM 0 HG3 MET A 121 -12.659 12.911 7.182 1.00 0.00 H new ATOM 0 HE1 MET A 121 -8.738 14.786 6.948 1.00 0.00 H new ATOM 0 HE2 MET A 121 -8.883 13.013 6.932 1.00 0.00 H new ATOM 0 HE3 MET A 121 -9.858 13.996 5.814 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.000 9.296 7.734 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.471 8.520 6.595 1.00 0.00 C ATOM 1897 C ASN A 122 -13.574 8.736 5.379 1.00 0.00 C ATOM 1898 O ASN A 122 -14.052 9.039 4.286 1.00 0.00 O ATOM 1899 CB ASN A 122 -15.916 8.893 6.257 1.00 0.00 C ATOM 1900 CG ASN A 122 -16.922 8.092 7.060 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -17.864 7.524 6.507 1.00 0.00 O ATOM 1902 ND2 ASN A 122 -16.728 8.042 8.373 1.00 0.00 N ATOM 0 H ASN A 122 -13.715 8.735 8.537 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.433 7.465 6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.068 9.956 6.446 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.091 8.730 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.373 7.518 8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -15.934 8.528 8.790 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.271 8.576 5.579 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.304 8.750 4.502 1.00 0.00 C ATOM 1911 C PHE A 123 -10.258 7.641 4.532 1.00 0.00 C ATOM 1912 O PHE A 123 -9.854 7.186 5.601 1.00 0.00 O ATOM 1913 CB PHE A 123 -10.622 10.115 4.616 1.00 0.00 C ATOM 1914 CG PHE A 123 -10.393 10.783 3.290 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -9.547 10.217 2.351 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.024 11.978 2.984 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -9.334 10.829 1.130 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -10.816 12.596 1.765 1.00 0.00 C ATOM 1919 CZ PHE A 123 -9.970 12.020 0.837 1.00 0.00 C ATOM 0 H PHE A 123 -11.860 8.326 6.478 1.00 0.00 H new ATOM 0 HA PHE A 123 -11.838 8.698 3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.233 10.766 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.665 9.993 5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.048 9.286 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -11.686 12.432 3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -8.672 10.377 0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -11.314 13.527 1.539 1.00 0.00 H new ATOM 0 HZ PHE A 123 -9.806 12.500 -0.116 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.827 7.207 3.352 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.830 6.148 3.245 1.00 0.00 C ATOM 1931 C ARG A 124 -8.051 6.266 1.940 1.00 0.00 C ATOM 1932 O ARG A 124 -8.626 6.190 0.854 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.504 4.778 3.330 1.00 0.00 C ATOM 1934 CG ARG A 124 -8.531 3.614 3.236 1.00 0.00 C ATOM 1935 CD ARG A 124 -8.377 3.134 1.802 1.00 0.00 C ATOM 1936 NE ARG A 124 -9.132 1.908 1.553 1.00 0.00 N ATOM 1937 CZ ARG A 124 -9.513 1.504 0.343 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -9.213 2.223 -0.731 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -10.197 0.376 0.207 1.00 0.00 N ATOM 0 H ARG A 124 -10.152 7.572 2.457 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.130 6.253 4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -10.050 4.709 4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -10.238 4.693 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.559 3.918 3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.883 2.793 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.716 3.914 1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -7.322 2.960 1.589 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.382 1.327 2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.687 3.091 -0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.508 1.907 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -10.431 -0.181 1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.489 0.065 -0.720 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.740 6.455 2.051 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.888 6.585 0.873 1.00 0.00 C ATOM 1955 C GLN A 125 -4.420 6.369 1.228 1.00 0.00 C ATOM 1956 O GLN A 125 -4.067 6.231 2.398 1.00 0.00 O ATOM 1957 CB GLN A 125 -6.072 7.963 0.235 1.00 0.00 C ATOM 1958 CG GLN A 125 -6.071 9.103 1.240 1.00 0.00 C ATOM 1959 CD GLN A 125 -5.322 10.322 0.736 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -5.135 10.496 -0.468 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -4.889 11.173 1.659 1.00 0.00 N ATOM 0 H GLN A 125 -6.245 6.521 2.941 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.184 5.816 0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.275 8.128 -0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.012 7.976 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.100 9.382 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.618 8.762 2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.067 10.989 2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -4.379 12.011 1.381 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.569 6.346 0.205 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.137 6.152 0.404 1.00 0.00 C ATOM 1972 C LEU A 126 -1.496 7.416 0.970 1.00 0.00 C ATOM 1973 O LEU A 126 -1.834 8.529 0.569 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.466 5.768 -0.919 1.00 0.00 C ATOM 1975 CG LEU A 126 0.067 5.776 -0.902 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.618 4.551 -1.615 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.599 7.050 -1.543 1.00 0.00 C ATOM 0 H LEU A 126 -3.847 6.459 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.996 5.343 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.805 4.772 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.808 6.454 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 126 0.399 5.746 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.707 4.576 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.265 3.649 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.277 4.549 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.689 7.040 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.256 7.108 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.234 7.915 -0.990 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.569 7.235 1.905 1.00 0.00 N ATOM 1990 CA GLN A 127 0.117 8.360 2.526 1.00 0.00 C ATOM 1991 C GLN A 127 1.465 8.614 1.859 1.00 0.00 C ATOM 1992 O GLN A 127 1.709 9.695 1.325 1.00 0.00 O ATOM 1993 CB GLN A 127 0.311 8.103 4.023 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.662 8.869 4.907 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.091 8.811 4.399 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.831 9.792 4.481 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.487 7.659 3.871 1.00 0.00 N ATOM 0 H GLN A 127 -0.276 6.320 2.248 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.502 9.248 2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.201 7.036 4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.330 8.374 4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.624 8.463 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.346 9.910 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.841 6.871 3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.437 7.562 3.513 1.00 0.00 H new ATOM 2006 N GLU A 128 2.337 7.612 1.895 1.00 0.00 N ATOM 2007 CA GLU A 128 3.660 7.735 1.293 1.00 0.00 C ATOM 2008 C GLU A 128 4.135 6.400 0.727 1.00 0.00 C ATOM 2009 O GLU A 128 3.683 5.333 1.149 1.00 0.00 O ATOM 2010 CB GLU A 128 4.675 8.248 2.320 1.00 0.00 C ATOM 2011 CG GLU A 128 4.102 9.256 3.306 1.00 0.00 C ATOM 2012 CD GLU A 128 3.893 10.625 2.687 1.00 0.00 C ATOM 2013 OE1 GLU A 128 3.968 10.735 1.445 1.00 0.00 O1- ATOM 2014 OE2 GLU A 128 3.655 11.589 3.446 1.00 0.00 O ATOM 0 H GLU A 128 2.153 6.709 2.333 1.00 0.00 H new ATOM 0 HA GLU A 128 3.583 8.452 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.075 7.400 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.511 8.707 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.151 8.885 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.774 9.346 4.159 1.00 0.00 H new ATOM 2021 N PHE A 129 5.056 6.475 -0.228 1.00 0.00 N ATOM 2022 CA PHE A 129 5.611 5.285 -0.862 1.00 0.00 C ATOM 2023 C PHE A 129 7.125 5.413 -1.001 1.00 0.00 C ATOM 2024 O PHE A 129 7.619 6.215 -1.794 1.00 0.00 O ATOM 2025 CB PHE A 129 4.975 5.071 -2.237 1.00 0.00 C ATOM 2026 CG PHE A 129 4.943 3.633 -2.670 1.00 0.00 C ATOM 2027 CD1 PHE A 129 3.868 2.822 -2.344 1.00 0.00 C ATOM 2028 CD2 PHE A 129 5.987 3.094 -3.404 1.00 0.00 C ATOM 2029 CE1 PHE A 129 3.835 1.499 -2.743 1.00 0.00 C ATOM 2030 CE2 PHE A 129 5.960 1.771 -3.805 1.00 0.00 C ATOM 2031 CZ PHE A 129 4.882 0.973 -3.474 1.00 0.00 C ATOM 0 H PHE A 129 5.436 7.353 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 129 5.389 4.423 -0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.957 5.459 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.526 5.652 -2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 129 3.047 3.228 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.831 3.714 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 129 2.991 0.877 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 129 6.780 1.362 -4.376 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.858 -0.061 -3.786 1.00 0.00 H new ATOM 2041 N THR A 130 7.857 4.625 -0.222 1.00 0.00 N ATOM 2042 CA THR A 130 9.316 4.658 -0.255 1.00 0.00 C ATOM 2043 C THR A 130 9.870 3.524 -1.110 1.00 0.00 C ATOM 2044 O THR A 130 9.252 2.468 -1.233 1.00 0.00 O ATOM 2045 CB THR A 130 9.881 4.565 1.163 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.810 3.235 1.645 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.160 5.452 2.156 1.00 0.00 C ATOM 0 H THR A 130 7.465 3.955 0.440 1.00 0.00 H new ATOM 0 HA THR A 130 9.621 5.605 -0.700 1.00 0.00 H new ATOM 0 HB THR A 130 10.914 4.902 1.084 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.178 3.196 2.553 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.612 5.337 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.239 6.492 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.109 5.166 2.203 1.00 0.00 H new ATOM 2055 N TYR A 131 11.038 3.751 -1.702 1.00 0.00 N ATOM 2056 CA TYR A 131 11.675 2.747 -2.547 1.00 0.00 C ATOM 2057 C TYR A 131 12.939 2.203 -1.888 1.00 0.00 C ATOM 2058 O TYR A 131 13.936 2.913 -1.754 1.00 0.00 O ATOM 2059 CB TYR A 131 12.015 3.342 -3.914 1.00 0.00 C ATOM 2060 CG TYR A 131 12.787 4.640 -3.836 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.131 5.852 -3.659 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.173 4.652 -3.939 1.00 0.00 C ATOM 2063 CE1 TYR A 131 12.834 7.039 -3.587 1.00 0.00 C ATOM 2064 CE2 TYR A 131 14.883 5.836 -3.867 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.209 7.026 -3.692 1.00 0.00 C ATOM 2066 OH TYR A 131 14.912 8.207 -3.620 1.00 0.00 O ATOM 0 H TYR A 131 11.563 4.621 -1.612 1.00 0.00 H new ATOM 0 HA TYR A 131 10.973 1.924 -2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.598 2.616 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.091 3.512 -4.467 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.054 5.866 -3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.704 3.722 -4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.309 7.973 -3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 131 15.960 5.829 -3.947 1.00 0.00 H new ATOM 0 HH TYR A 131 15.870 8.023 -3.710 1.00 0.00 H new ATOM 2076 N LEU A 132 12.890 0.939 -1.478 1.00 0.00 N ATOM 2077 CA LEU A 132 14.031 0.300 -0.832 1.00 0.00 C ATOM 2078 C LEU A 132 14.901 -0.427 -1.853 1.00 0.00 C ATOM 2079 O LEU A 132 14.723 -0.268 -3.061 1.00 0.00 O ATOM 2080 CB LEU A 132 13.556 -0.684 0.241 1.00 0.00 C ATOM 2081 CG LEU A 132 12.280 -0.277 0.983 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.979 -1.259 2.104 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.411 1.136 1.531 1.00 0.00 C ATOM 0 H LEU A 132 12.073 0.338 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 132 14.629 1.080 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.391 -1.654 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.355 -0.814 0.971 1.00 0.00 H new ATOM 0 HG LEU A 132 11.449 -0.297 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.069 -0.954 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.842 -2.257 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.810 -1.271 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.495 1.409 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.252 1.182 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.579 1.831 0.708 1.00 0.00 H new ATOM 2095 N GLY A 133 15.842 -1.226 -1.359 1.00 0.00 N ATOM 2096 CA GLY A 133 16.727 -1.966 -2.240 1.00 0.00 C ATOM 2097 C GLY A 133 16.369 -3.438 -2.320 1.00 0.00 C ATOM 2098 O GLY A 133 16.950 -4.262 -1.614 1.00 0.00 O ATOM 0 H GLY A 133 16.007 -1.374 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 133 16.687 -1.531 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.754 -1.864 -1.888 1.00 0.00 H new ATOM 2102 N ASP A 134 15.408 -3.762 -3.183 1.00 0.00 N ATOM 2103 CA ASP A 134 14.956 -5.142 -3.370 1.00 0.00 C ATOM 2104 C ASP A 134 14.687 -5.834 -2.034 1.00 0.00 C ATOM 2105 O ASP A 134 14.822 -5.231 -0.970 1.00 0.00 O ATOM 2106 CB ASP A 134 15.983 -5.938 -4.184 1.00 0.00 C ATOM 2107 CG ASP A 134 17.262 -6.211 -3.414 1.00 0.00 C ATOM 2108 OD1 ASP A 134 17.245 -7.089 -2.526 1.00 0.00 O ATOM 2109 OD2 ASP A 134 18.280 -5.547 -3.701 1.00 0.00 O1- ATOM 0 H ASP A 134 14.923 -3.082 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 134 14.016 -5.108 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.540 -6.886 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.223 -5.388 -5.094 1.00 0.00 H new ATOM 2114 N ALA A 135 14.301 -7.104 -2.101 1.00 0.00 N ATOM 2115 CA ALA A 135 14.009 -7.878 -0.901 1.00 0.00 C ATOM 2116 C ALA A 135 14.813 -9.174 -0.875 1.00 0.00 C ATOM 2117 O ALA A 135 14.839 -9.832 0.187 1.00 0.00 O ATOM 2118 CB ALA A 135 12.520 -8.177 -0.815 1.00 0.00 C ATOM 2119 OXT ALA A 135 15.408 -9.521 -1.917 1.00 0.00 O ATOM 0 H ALA A 135 14.183 -7.619 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 135 14.299 -7.283 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.317 -8.756 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.962 -7.241 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.213 -8.749 -1.691 1.00 0.00 H new TER 2125 ALA A 135