USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 791 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 80 ASN :FLIP amide:sc= -1.33 F(o=-2.7,f=-1.4) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 167:sc= -0.0245 (180deg=-0.237) USER MOD Set 2.1: A 66 LYS NZ :NH3+ 170:sc= 0.481 (180deg=-0.248) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.0503 K(o=0.43,f=-5.1!) USER MOD Set 3.1: A 30 CYS SG : rot -154:sc= 0.408 USER MOD Set 3.2: A 33 CYS SG : rot 110:sc= -1.6! USER MOD Set 4.1: A 19 LYS NZ :NH3+ -138:sc= 1.09 (180deg=0) USER MOD Set 4.2: A 49 GLN : amide:sc= 0.73 K(o=1.8,f=-8.3!) USER MOD Set 5.1: A 4 GLN : amide:sc= -0.064 X(o=-1.8,f=-1.6) USER MOD Set 5.2: A 26 TYR OH : rot 15:sc= -1.77 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0 (180deg=-0.144) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= -1.52 (180deg=-2.28) USER MOD Single : A 7 THR OG1 : rot 111:sc= -1.16 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -59:sc= -1.46! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -159:sc= -0.221 (180deg=-0.747) USER MOD Single : A 39 MET CE :methyl 162:sc= -0.344 (180deg=-1.45) USER MOD Single : A 42 LYS NZ :NH3+ -141:sc= -2.65! (180deg=-5.45!) USER MOD Single : A 44 SER OG : rot -26:sc= 0.586 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -142:sc= -1.49! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= -0.117 (180deg=-0.707) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 168:sc= -0.0519 (180deg=-0.172) USER MOD Single : A 74 THR OG1 : rot 100:sc= -4.17! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.639 K(o=-0.64,f=-1.5) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= -2.09 (180deg=-2.1) USER MOD Single : A 97 GLN : amide:sc= -0.0568 X(o=-0.057,f=-0.26) USER MOD Single : A 102 ASN : amide:sc= -7.33! C(o=-7.3!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.852 11.347 4.341 1.00 0.00 N ATOM 2 CA MET A 1 -2.326 11.490 4.205 1.00 0.00 C ATOM 3 C MET A 1 -3.025 10.144 4.363 1.00 0.00 C ATOM 4 O MET A 1 -3.919 9.993 5.196 1.00 0.00 O ATOM 5 CB MET A 1 -2.632 12.087 2.830 1.00 0.00 C ATOM 6 CG MET A 1 -4.117 12.275 2.567 1.00 0.00 C ATOM 7 SD MET A 1 -4.899 13.381 3.756 1.00 0.00 S ATOM 8 CE MET A 1 -6.589 13.374 3.165 1.00 0.00 C ATOM 0 H1 MET A 1 -0.433 12.271 4.568 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.637 10.673 5.103 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.453 10.997 3.447 1.00 0.00 H new ATOM 0 HA MET A 1 -2.698 12.147 4.991 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.131 13.051 2.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.214 11.438 2.060 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.256 12.672 1.561 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.613 11.305 2.598 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.199 14.015 3.801 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.618 13.745 2.141 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.980 12.357 3.194 1.00 0.00 H new ATOM 20 N VAL A 2 -2.612 9.169 3.560 1.00 0.00 N ATOM 21 CA VAL A 2 -3.194 7.832 3.610 1.00 0.00 C ATOM 22 C VAL A 2 -4.650 7.844 3.155 1.00 0.00 C ATOM 23 O VAL A 2 -5.479 8.570 3.703 1.00 0.00 O ATOM 24 CB VAL A 2 -3.111 7.240 5.030 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.679 5.829 5.060 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.674 7.252 5.525 1.00 0.00 C ATOM 0 H VAL A 2 -1.874 9.280 2.865 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.614 7.208 2.929 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.711 7.860 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.610 5.431 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.723 5.850 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.111 5.194 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.632 6.831 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.053 6.657 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.305 8.277 5.546 1.00 0.00 H new ATOM 36 N THR A 3 -4.953 7.030 2.149 1.00 0.00 N ATOM 37 CA THR A 3 -6.309 6.939 1.616 1.00 0.00 C ATOM 38 C THR A 3 -6.583 5.544 1.058 1.00 0.00 C ATOM 39 O THR A 3 -5.683 4.885 0.538 1.00 0.00 O ATOM 40 CB THR A 3 -6.519 7.990 0.524 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.306 9.293 1.036 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.907 7.957 -0.079 1.00 0.00 C ATOM 0 H THR A 3 -4.277 6.423 1.685 1.00 0.00 H new ATOM 0 HA THR A 3 -7.008 7.126 2.431 1.00 0.00 H new ATOM 0 HB THR A 3 -5.796 7.747 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.443 9.951 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.989 8.727 -0.846 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.086 6.979 -0.526 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.647 8.141 0.700 1.00 0.00 H new ATOM 50 N GLN A 4 -7.832 5.105 1.168 1.00 0.00 N ATOM 51 CA GLN A 4 -8.234 3.791 0.674 1.00 0.00 C ATOM 52 C GLN A 4 -8.692 3.888 -0.776 1.00 0.00 C ATOM 53 O GLN A 4 -8.968 4.978 -1.276 1.00 0.00 O ATOM 54 CB GLN A 4 -9.380 3.239 1.517 1.00 0.00 C ATOM 55 CG GLN A 4 -9.118 3.271 3.013 1.00 0.00 C ATOM 56 CD GLN A 4 -10.294 2.760 3.821 1.00 0.00 C ATOM 57 OE1 GLN A 4 -11.394 3.307 3.751 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.066 1.706 4.596 1.00 0.00 N ATOM 0 H GLN A 4 -8.587 5.641 1.596 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.374 3.124 0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.283 3.812 1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.577 2.210 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.238 2.668 3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.890 4.293 3.317 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.138 1.284 4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.819 1.318 5.164 1.00 0.00 H new ATOM 67 N PHE A 5 -8.787 2.744 -1.447 1.00 0.00 N ATOM 68 CA PHE A 5 -9.235 2.722 -2.834 1.00 0.00 C ATOM 69 C PHE A 5 -10.531 1.933 -2.989 1.00 0.00 C ATOM 70 O PHE A 5 -10.602 0.757 -2.633 1.00 0.00 O ATOM 71 CB PHE A 5 -8.163 2.134 -3.753 1.00 0.00 C ATOM 72 CG PHE A 5 -6.939 2.993 -3.897 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.031 4.377 -3.839 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.699 2.418 -4.129 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.909 5.169 -4.006 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.576 3.204 -4.293 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.681 4.580 -4.234 1.00 0.00 C ATOM 0 H PHE A 5 -8.562 1.829 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.420 3.756 -3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.866 1.158 -3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.596 1.969 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.990 4.841 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.611 1.343 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.993 6.245 -3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.615 2.743 -4.467 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.803 5.195 -4.366 1.00 0.00 H new ATOM 87 N LYS A 6 -11.549 2.593 -3.537 1.00 0.00 N ATOM 88 CA LYS A 6 -12.847 1.965 -3.764 1.00 0.00 C ATOM 89 C LYS A 6 -13.015 1.625 -5.242 1.00 0.00 C ATOM 90 O LYS A 6 -13.644 0.630 -5.596 1.00 0.00 O ATOM 91 CB LYS A 6 -13.980 2.892 -3.315 1.00 0.00 C ATOM 92 CG LYS A 6 -13.933 3.282 -1.842 1.00 0.00 C ATOM 93 CD LYS A 6 -14.169 2.092 -0.922 1.00 0.00 C ATOM 94 CE LYS A 6 -12.882 1.343 -0.614 1.00 0.00 C ATOM 95 NZ LYS A 6 -11.866 2.223 0.033 1.00 0.00 N ATOM 0 H LYS A 6 -11.498 3.568 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.891 1.048 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.951 3.799 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.933 2.404 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.963 3.726 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.686 4.045 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.618 2.438 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.882 1.411 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.101 0.499 0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.472 0.932 -1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.032 2.302 -0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.273 3.168 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.584 1.814 0.947 1.00 0.00 H new ATOM 109 N THR A 7 -12.436 2.459 -6.098 1.00 0.00 N ATOM 110 CA THR A 7 -12.507 2.251 -7.539 1.00 0.00 C ATOM 111 C THR A 7 -11.109 2.268 -8.148 1.00 0.00 C ATOM 112 O THR A 7 -10.315 3.167 -7.874 1.00 0.00 O ATOM 113 CB THR A 7 -13.379 3.326 -8.191 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.853 4.618 -7.944 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.812 3.312 -7.703 1.00 0.00 C ATOM 0 H THR A 7 -11.911 3.287 -5.818 1.00 0.00 H new ATOM 0 HA THR A 7 -12.957 1.276 -7.725 1.00 0.00 H new ATOM 0 HB THR A 7 -13.373 3.095 -9.256 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.507 4.996 -8.780 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.375 4.099 -8.205 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.263 2.345 -7.925 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.831 3.482 -6.627 1.00 0.00 H new ATOM 123 N ALA A 8 -10.812 1.265 -8.969 1.00 0.00 N ATOM 124 CA ALA A 8 -9.504 1.164 -9.607 1.00 0.00 C ATOM 125 C ALA A 8 -9.136 2.447 -10.341 1.00 0.00 C ATOM 126 O ALA A 8 -7.957 2.744 -10.538 1.00 0.00 O ATOM 127 CB ALA A 8 -9.468 -0.023 -10.558 1.00 0.00 C ATOM 0 H ALA A 8 -11.458 0.512 -9.208 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.764 1.010 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.486 -0.085 -11.026 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.664 -0.940 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.229 0.104 -11.328 1.00 0.00 H new ATOM 133 N SER A 9 -10.146 3.214 -10.732 1.00 0.00 N ATOM 134 CA SER A 9 -9.914 4.470 -11.430 1.00 0.00 C ATOM 135 C SER A 9 -9.125 5.438 -10.550 1.00 0.00 C ATOM 136 O SER A 9 -8.563 6.419 -11.040 1.00 0.00 O ATOM 137 CB SER A 9 -11.245 5.103 -11.841 1.00 0.00 C ATOM 138 OG SER A 9 -11.975 4.246 -12.701 1.00 0.00 O ATOM 0 H SER A 9 -11.129 2.989 -10.578 1.00 0.00 H new ATOM 0 HA SER A 9 -9.330 4.260 -12.326 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.837 5.321 -10.952 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.060 6.053 -12.342 1.00 0.00 H new ATOM 0 HG SER A 9 -12.822 4.674 -12.947 1.00 0.00 H new ATOM 144 N GLU A 10 -9.089 5.162 -9.247 1.00 0.00 N ATOM 145 CA GLU A 10 -8.375 6.009 -8.305 1.00 0.00 C ATOM 146 C GLU A 10 -6.932 5.554 -8.139 1.00 0.00 C ATOM 147 O GLU A 10 -6.018 6.369 -8.024 1.00 0.00 O ATOM 148 CB GLU A 10 -9.081 6.014 -6.949 1.00 0.00 C ATOM 149 CG GLU A 10 -10.510 6.531 -7.005 1.00 0.00 C ATOM 150 CD GLU A 10 -10.594 7.976 -7.461 1.00 0.00 C ATOM 151 OE1 GLU A 10 -10.176 8.265 -8.602 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.078 8.817 -6.676 1.00 0.00 O ATOM 0 H GLU A 10 -9.548 4.356 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.369 7.022 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.086 5.000 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.509 6.628 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.091 5.906 -7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.964 6.439 -6.018 1.00 0.00 H new ATOM 159 N PHE A 11 -6.744 4.245 -8.117 1.00 0.00 N ATOM 160 CA PHE A 11 -5.421 3.662 -7.954 1.00 0.00 C ATOM 161 C PHE A 11 -4.674 3.623 -9.287 1.00 0.00 C ATOM 162 O PHE A 11 -3.449 3.719 -9.328 1.00 0.00 O ATOM 163 CB PHE A 11 -5.536 2.247 -7.379 1.00 0.00 C ATOM 164 CG PHE A 11 -4.232 1.668 -6.892 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.066 2.426 -6.887 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.175 0.363 -6.430 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.878 1.889 -6.434 1.00 0.00 C ATOM 168 CE2 PHE A 11 -2.986 -0.177 -5.976 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.838 0.588 -5.979 1.00 0.00 C ATOM 0 H PHE A 11 -7.495 3.562 -8.211 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.857 4.286 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.246 2.260 -6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.949 1.589 -8.143 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.090 3.446 -7.241 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.071 -0.240 -6.424 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.979 2.488 -6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.956 -1.196 -5.620 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.908 0.168 -5.625 1.00 0.00 H new ATOM 179 N ASP A 12 -5.424 3.480 -10.376 1.00 0.00 N ATOM 180 CA ASP A 12 -4.835 3.422 -11.709 1.00 0.00 C ATOM 181 C ASP A 12 -3.968 4.649 -11.985 1.00 0.00 C ATOM 182 O ASP A 12 -2.918 4.548 -12.620 1.00 0.00 O ATOM 183 CB ASP A 12 -5.935 3.314 -12.768 1.00 0.00 C ATOM 184 CG ASP A 12 -5.381 3.222 -14.176 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.628 2.266 -14.457 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.700 4.106 -15.000 1.00 0.00 O ATOM 0 H ASP A 12 -6.441 3.402 -10.361 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.200 2.538 -11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.546 2.435 -12.564 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.591 4.182 -12.695 1.00 0.00 H new ATOM 191 N SER A 13 -4.414 5.805 -11.507 1.00 0.00 N ATOM 192 CA SER A 13 -3.678 7.050 -11.706 1.00 0.00 C ATOM 193 C SER A 13 -2.684 7.305 -10.572 1.00 0.00 C ATOM 194 O SER A 13 -1.976 8.313 -10.577 1.00 0.00 O ATOM 195 CB SER A 13 -4.651 8.224 -11.813 1.00 0.00 C ATOM 196 OG SER A 13 -5.538 8.057 -12.906 1.00 0.00 O ATOM 0 H SER A 13 -5.281 5.907 -10.979 1.00 0.00 H new ATOM 0 HA SER A 13 -3.114 6.956 -12.634 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.222 8.312 -10.888 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.093 9.153 -11.933 1.00 0.00 H new ATOM 0 HG SER A 13 -6.150 8.821 -12.950 1.00 0.00 H new ATOM 202 N ALA A 14 -2.634 6.396 -9.603 1.00 0.00 N ATOM 203 CA ALA A 14 -1.726 6.538 -8.471 1.00 0.00 C ATOM 204 C ALA A 14 -0.323 6.048 -8.818 1.00 0.00 C ATOM 205 O ALA A 14 0.669 6.701 -8.493 1.00 0.00 O ATOM 206 CB ALA A 14 -2.267 5.785 -7.265 1.00 0.00 C ATOM 0 H ALA A 14 -3.211 5.555 -9.579 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.658 7.598 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.580 5.899 -6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.242 6.188 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.367 4.728 -7.511 1.00 0.00 H new ATOM 212 N ILE A 15 -0.247 4.896 -9.474 1.00 0.00 N ATOM 213 CA ILE A 15 1.037 4.320 -9.857 1.00 0.00 C ATOM 214 C ILE A 15 1.598 4.985 -11.109 1.00 0.00 C ATOM 215 O ILE A 15 2.760 5.389 -11.133 1.00 0.00 O ATOM 216 CB ILE A 15 0.930 2.794 -10.077 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.057 2.467 -11.202 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.511 2.109 -8.784 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.276 0.981 -11.400 1.00 0.00 C ATOM 0 H ILE A 15 -1.058 4.343 -9.752 1.00 0.00 H new ATOM 0 HA ILE A 15 1.723 4.504 -9.030 1.00 0.00 H new ATOM 0 HB ILE A 15 1.910 2.421 -10.374 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.014 2.942 -10.985 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.309 2.900 -12.133 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.438 1.034 -8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.252 2.308 -8.010 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.458 2.494 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.986 0.823 -12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.672 0.503 -11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.672 0.546 -10.482 1.00 0.00 H new ATOM 231 N ALA A 16 0.773 5.094 -12.147 1.00 0.00 N ATOM 232 CA ALA A 16 1.193 5.699 -13.411 1.00 0.00 C ATOM 233 C ALA A 16 2.037 6.956 -13.206 1.00 0.00 C ATOM 234 O ALA A 16 1.505 8.046 -12.996 1.00 0.00 O ATOM 235 CB ALA A 16 -0.021 6.016 -14.269 1.00 0.00 C ATOM 0 H ALA A 16 -0.194 4.770 -12.139 1.00 0.00 H new ATOM 0 HA ALA A 16 1.822 4.970 -13.923 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.304 6.466 -15.207 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.569 5.097 -14.478 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.670 6.713 -13.738 1.00 0.00 H new ATOM 241 N GLN A 17 3.358 6.792 -13.280 1.00 0.00 N ATOM 242 CA GLN A 17 4.288 7.906 -13.118 1.00 0.00 C ATOM 243 C GLN A 17 3.911 8.769 -11.922 1.00 0.00 C ATOM 244 O GLN A 17 3.167 9.740 -12.056 1.00 0.00 O ATOM 245 CB GLN A 17 4.316 8.761 -14.387 1.00 0.00 C ATOM 246 CG GLN A 17 4.751 7.996 -15.626 1.00 0.00 C ATOM 247 CD GLN A 17 4.771 8.864 -16.869 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.747 9.420 -17.269 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.938 8.985 -17.489 1.00 0.00 N ATOM 0 H GLN A 17 3.808 5.893 -13.452 1.00 0.00 H new ATOM 0 HA GLN A 17 5.280 7.491 -12.941 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.323 9.177 -14.557 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.992 9.602 -14.234 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.745 7.580 -15.462 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.076 7.155 -15.785 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.762 8.507 -17.123 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.011 9.556 -18.331 1.00 0.00 H new ATOM 258 N ASP A 18 4.426 8.411 -10.750 1.00 0.00 N ATOM 259 CA ASP A 18 4.132 9.164 -9.544 1.00 0.00 C ATOM 260 C ASP A 18 5.014 8.711 -8.384 1.00 0.00 C ATOM 261 O ASP A 18 4.550 8.594 -7.252 1.00 0.00 O ATOM 262 CB ASP A 18 2.652 9.014 -9.177 1.00 0.00 C ATOM 263 CG ASP A 18 2.189 10.036 -8.153 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.724 10.040 -7.025 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.290 10.838 -8.482 1.00 0.00 O ATOM 0 H ASP A 18 5.043 7.611 -10.614 1.00 0.00 H new ATOM 0 HA ASP A 18 4.345 10.215 -9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.048 9.112 -10.079 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.480 8.011 -8.785 1.00 0.00 H new ATOM 270 N LYS A 19 6.294 8.463 -8.667 1.00 0.00 N ATOM 271 CA LYS A 19 7.227 8.039 -7.632 1.00 0.00 C ATOM 272 C LYS A 19 6.848 6.660 -7.108 1.00 0.00 C ATOM 273 O LYS A 19 6.207 5.876 -7.808 1.00 0.00 O ATOM 274 CB LYS A 19 7.233 9.088 -6.515 1.00 0.00 C ATOM 275 CG LYS A 19 7.723 10.454 -6.972 1.00 0.00 C ATOM 276 CD LYS A 19 7.431 11.533 -5.943 1.00 0.00 C ATOM 277 CE LYS A 19 7.843 12.907 -6.446 1.00 0.00 C ATOM 278 NZ LYS A 19 7.555 13.974 -5.447 1.00 0.00 N ATOM 0 H LYS A 19 6.702 8.549 -9.598 1.00 0.00 H new ATOM 0 HA LYS A 19 8.233 7.959 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.224 9.187 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.866 8.737 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.796 10.411 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.245 10.714 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.367 11.534 -5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.962 11.309 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.908 12.904 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.316 13.127 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.161 14.806 -5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.868 13.621 -4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.435 14.241 -4.961 1.00 0.00 H new ATOM 292 N LEU A 20 7.252 6.362 -5.885 1.00 0.00 N ATOM 293 CA LEU A 20 6.960 5.071 -5.282 1.00 0.00 C ATOM 294 C LEU A 20 5.746 5.160 -4.369 1.00 0.00 C ATOM 295 O LEU A 20 5.757 5.859 -3.360 1.00 0.00 O ATOM 296 CB LEU A 20 8.165 4.573 -4.484 1.00 0.00 C ATOM 297 CG LEU A 20 7.917 3.295 -3.684 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.611 2.132 -4.614 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.113 2.979 -2.798 1.00 0.00 C ATOM 0 H LEU A 20 7.784 6.996 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 20 6.743 4.367 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.993 4.400 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.480 5.360 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 20 7.050 3.453 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.437 1.231 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.721 2.359 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.455 1.970 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.918 2.066 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.999 2.841 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.280 3.803 -2.104 1.00 0.00 H new ATOM 311 N VAL A 21 4.699 4.438 -4.744 1.00 0.00 N ATOM 312 CA VAL A 21 3.462 4.417 -3.977 1.00 0.00 C ATOM 313 C VAL A 21 3.322 3.104 -3.215 1.00 0.00 C ATOM 314 O VAL A 21 3.328 2.026 -3.808 1.00 0.00 O ATOM 315 CB VAL A 21 2.235 4.606 -4.891 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.950 4.624 -4.078 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.374 5.880 -5.711 1.00 0.00 C ATOM 0 H VAL A 21 4.683 3.855 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 21 3.505 5.244 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 21 2.186 3.760 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.099 4.759 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.845 3.681 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.983 5.446 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.499 5.998 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.452 6.737 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.270 5.819 -6.329 1.00 0.00 H new ATOM 327 N VAL A 22 3.193 3.204 -1.898 1.00 0.00 N ATOM 328 CA VAL A 22 3.049 2.026 -1.055 1.00 0.00 C ATOM 329 C VAL A 22 1.588 1.802 -0.684 1.00 0.00 C ATOM 330 O VAL A 22 1.070 2.423 0.244 1.00 0.00 O ATOM 331 CB VAL A 22 3.887 2.156 0.229 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.795 0.888 1.066 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.334 2.474 -0.116 1.00 0.00 C ATOM 0 H VAL A 22 3.185 4.089 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 22 3.410 1.171 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 22 3.485 2.978 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.395 1.003 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.756 0.709 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.168 0.043 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.916 2.563 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.746 1.673 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.379 3.414 -0.667 1.00 0.00 H new ATOM 343 N VAL A 23 0.928 0.916 -1.420 1.00 0.00 N ATOM 344 CA VAL A 23 -0.475 0.616 -1.174 1.00 0.00 C ATOM 345 C VAL A 23 -0.632 -0.674 -0.377 1.00 0.00 C ATOM 346 O VAL A 23 0.013 -1.681 -0.667 1.00 0.00 O ATOM 347 CB VAL A 23 -1.262 0.499 -2.493 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.742 0.274 -2.221 1.00 0.00 C ATOM 349 CG2 VAL A 23 -1.048 1.738 -3.348 1.00 0.00 C ATOM 0 H VAL A 23 1.343 0.393 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.880 1.444 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.889 -0.365 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.278 0.194 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.872 -0.647 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.138 1.113 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.610 1.641 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.393 2.618 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.013 1.844 -3.576 1.00 0.00 H new ATOM 359 N ASP A 24 -1.497 -0.629 0.630 1.00 0.00 N ATOM 360 CA ASP A 24 -1.750 -1.787 1.479 1.00 0.00 C ATOM 361 C ASP A 24 -3.034 -2.496 1.055 1.00 0.00 C ATOM 362 O ASP A 24 -4.085 -1.870 0.931 1.00 0.00 O ATOM 363 CB ASP A 24 -1.854 -1.347 2.942 1.00 0.00 C ATOM 364 CG ASP A 24 -2.084 -2.512 3.887 1.00 0.00 C ATOM 365 OD1 ASP A 24 -1.202 -3.391 3.968 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.145 -2.543 4.544 1.00 0.00 O ATOM 0 H ASP A 24 -2.037 0.200 0.879 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.919 -2.484 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.939 -0.828 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.671 -0.633 3.046 1.00 0.00 H new ATOM 371 N PHE A 25 -2.944 -3.804 0.835 1.00 0.00 N ATOM 372 CA PHE A 25 -4.090 -4.592 0.425 1.00 0.00 C ATOM 373 C PHE A 25 -4.699 -5.318 1.620 1.00 0.00 C ATOM 374 O PHE A 25 -4.915 -6.531 1.578 1.00 0.00 O ATOM 375 CB PHE A 25 -3.651 -5.604 -0.629 1.00 0.00 C ATOM 376 CG PHE A 25 -3.398 -5.021 -1.987 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.510 -3.971 -2.170 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.034 -5.554 -3.091 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.264 -3.468 -3.435 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.800 -5.054 -4.352 1.00 0.00 C ATOM 381 CZ PHE A 25 -2.912 -4.009 -4.527 1.00 0.00 C ATOM 0 H PHE A 25 -2.081 -4.339 0.936 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.846 -3.928 0.007 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.742 -6.097 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.417 -6.374 -0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.006 -3.542 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.725 -6.374 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.567 -2.654 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.310 -5.478 -5.204 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.726 -3.617 -5.516 1.00 0.00 H new ATOM 391 N TYR A 26 -4.975 -4.571 2.684 1.00 0.00 N ATOM 392 CA TYR A 26 -5.563 -5.147 3.888 1.00 0.00 C ATOM 393 C TYR A 26 -6.799 -5.977 3.551 1.00 0.00 C ATOM 394 O TYR A 26 -7.698 -5.519 2.853 1.00 0.00 O ATOM 395 CB TYR A 26 -5.904 -4.048 4.903 1.00 0.00 C ATOM 396 CG TYR A 26 -6.567 -2.821 4.306 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.762 -2.914 3.604 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.991 -1.561 4.449 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.363 -1.797 3.063 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.586 -0.439 3.915 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.773 -0.560 3.221 1.00 0.00 C ATOM 402 OH TYR A 26 -8.369 0.556 2.684 1.00 0.00 O ATOM 0 H TYR A 26 -4.801 -3.567 2.737 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.826 -5.812 4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.562 -4.466 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.988 -3.741 5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.229 -3.880 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.061 -1.462 4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.291 -1.890 2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.126 0.530 4.039 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.295 0.347 2.440 1.00 0.00 H new ATOM 412 N ALA A 27 -6.831 -7.211 4.042 1.00 0.00 N ATOM 413 CA ALA A 27 -7.952 -8.105 3.780 1.00 0.00 C ATOM 414 C ALA A 27 -9.270 -7.480 4.216 1.00 0.00 C ATOM 415 O ALA A 27 -9.296 -6.590 5.067 1.00 0.00 O ATOM 416 CB ALA A 27 -7.747 -9.434 4.486 1.00 0.00 C ATOM 0 H ALA A 27 -6.095 -7.614 4.622 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.996 -8.277 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.593 -10.090 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.830 -9.900 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.670 -9.267 5.560 1.00 0.00 H new ATOM 422 N THR A 28 -10.362 -7.953 3.629 1.00 0.00 N ATOM 423 CA THR A 28 -11.683 -7.440 3.962 1.00 0.00 C ATOM 424 C THR A 28 -12.363 -8.309 5.019 1.00 0.00 C ATOM 425 O THR A 28 -13.587 -8.302 5.143 1.00 0.00 O ATOM 426 CB THR A 28 -12.562 -7.366 2.714 1.00 0.00 C ATOM 427 OG1 THR A 28 -13.885 -6.991 3.056 1.00 0.00 O ATOM 428 CG2 THR A 28 -12.643 -8.675 1.955 1.00 0.00 C ATOM 0 H THR A 28 -10.359 -8.689 2.922 1.00 0.00 H new ATOM 0 HA THR A 28 -11.553 -6.437 4.368 1.00 0.00 H new ATOM 0 HB THR A 28 -12.089 -6.622 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.260 -7.646 3.681 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.283 -8.550 1.081 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.645 -8.972 1.634 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.060 -9.446 2.603 1.00 0.00 H new ATOM 436 N TRP A 29 -11.564 -9.062 5.771 1.00 0.00 N ATOM 437 CA TRP A 29 -12.097 -9.942 6.804 1.00 0.00 C ATOM 438 C TRP A 29 -11.253 -9.901 8.076 1.00 0.00 C ATOM 439 O TRP A 29 -11.793 -9.853 9.182 1.00 0.00 O ATOM 440 CB TRP A 29 -12.174 -11.375 6.283 1.00 0.00 C ATOM 441 CG TRP A 29 -10.940 -11.798 5.549 1.00 0.00 C ATOM 442 CD1 TRP A 29 -10.650 -11.567 4.235 1.00 0.00 C ATOM 443 CD2 TRP A 29 -9.813 -12.491 6.093 1.00 0.00 C ATOM 444 NE1 TRP A 29 -9.423 -12.097 3.923 1.00 0.00 N ATOM 445 CE2 TRP A 29 -8.887 -12.666 5.048 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.501 -12.988 7.361 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -7.670 -13.314 5.231 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.292 -13.629 7.544 1.00 0.00 C ATOM 449 CH2 TRP A 29 -7.388 -13.787 6.484 1.00 0.00 C ATOM 0 H TRP A 29 -10.548 -9.080 5.684 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.097 -9.587 7.054 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.342 -12.052 7.121 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.034 -11.469 5.620 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.292 -11.044 3.542 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.982 -12.071 3.004 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.193 -12.873 8.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.974 -13.439 4.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.038 -14.015 8.520 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.450 -14.292 6.660 1.00 0.00 H new ATOM 460 N CYS A 30 -9.929 -9.931 7.920 1.00 0.00 N ATOM 461 CA CYS A 30 -9.017 -9.908 9.066 1.00 0.00 C ATOM 462 C CYS A 30 -9.464 -8.877 10.100 1.00 0.00 C ATOM 463 O CYS A 30 -9.716 -7.721 9.762 1.00 0.00 O ATOM 464 CB CYS A 30 -7.589 -9.585 8.618 1.00 0.00 C ATOM 465 SG CYS A 30 -6.350 -9.772 9.921 1.00 0.00 S ATOM 0 H CYS A 30 -9.464 -9.971 7.013 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.037 -10.899 9.519 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.325 -10.235 7.784 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.559 -8.561 8.246 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.335 -9.001 9.668 1.00 0.00 H new ATOM 471 N GLY A 31 -9.556 -9.298 11.362 1.00 0.00 N ATOM 472 CA GLY A 31 -9.965 -8.383 12.417 1.00 0.00 C ATOM 473 C GLY A 31 -9.219 -7.064 12.339 1.00 0.00 C ATOM 474 O GLY A 31 -9.810 -6.033 12.020 1.00 0.00 O ATOM 0 H GLY A 31 -9.356 -10.249 11.671 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.037 -8.199 12.344 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.787 -8.845 13.388 1.00 0.00 H new ATOM 478 N PRO A 32 -7.903 -7.075 12.604 1.00 0.00 N ATOM 479 CA PRO A 32 -7.075 -5.869 12.535 1.00 0.00 C ATOM 480 C PRO A 32 -6.945 -5.376 11.090 1.00 0.00 C ATOM 481 O PRO A 32 -7.883 -5.507 10.306 1.00 0.00 O ATOM 482 CB PRO A 32 -5.727 -6.340 13.100 1.00 0.00 C ATOM 483 CG PRO A 32 -5.697 -7.803 12.832 1.00 0.00 C ATOM 484 CD PRO A 32 -7.118 -8.269 12.970 1.00 0.00 C ATOM 0 HA PRO A 32 -7.490 -5.025 13.086 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.894 -5.831 12.614 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.650 -6.131 14.167 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.312 -8.011 11.834 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.046 -8.317 13.538 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.332 -9.109 12.309 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.337 -8.598 13.986 1.00 0.00 H new ATOM 492 N CYS A 33 -5.788 -4.812 10.736 1.00 0.00 N ATOM 493 CA CYS A 33 -5.552 -4.310 9.382 1.00 0.00 C ATOM 494 C CYS A 33 -6.309 -3.004 9.126 1.00 0.00 C ATOM 495 O CYS A 33 -6.298 -2.486 8.010 1.00 0.00 O ATOM 496 CB CYS A 33 -5.963 -5.355 8.339 1.00 0.00 C ATOM 497 SG CYS A 33 -5.170 -6.963 8.558 1.00 0.00 S ATOM 0 H CYS A 33 -4.999 -4.692 11.371 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.484 -4.111 9.292 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.044 -5.486 8.378 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.724 -4.976 7.346 1.00 0.00 H new ATOM 0 HG CYS A 33 -6.050 -7.829 8.964 1.00 0.00 H new ATOM 503 N LYS A 34 -6.969 -2.474 10.157 1.00 0.00 N ATOM 504 CA LYS A 34 -7.724 -1.232 10.021 1.00 0.00 C ATOM 505 C LYS A 34 -7.066 -0.102 10.806 1.00 0.00 C ATOM 506 O LYS A 34 -7.163 1.067 10.427 1.00 0.00 O ATOM 507 CB LYS A 34 -9.166 -1.430 10.494 1.00 0.00 C ATOM 508 CG LYS A 34 -10.023 -0.180 10.373 1.00 0.00 C ATOM 509 CD LYS A 34 -11.448 -0.432 10.837 1.00 0.00 C ATOM 510 CE LYS A 34 -12.124 -1.509 10.005 1.00 0.00 C ATOM 511 NZ LYS A 34 -13.533 -1.737 10.430 1.00 0.00 N ATOM 0 H LYS A 34 -6.995 -2.885 11.090 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.731 -0.957 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.623 -2.231 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.157 -1.755 11.534 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.583 0.622 10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.031 0.157 9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.443 -0.731 11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.022 0.493 10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.104 -1.222 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.564 -2.440 10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.958 -2.479 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.551 -2.036 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.075 -0.856 10.323 1.00 0.00 H new ATOM 525 N MET A 35 -6.377 -0.457 11.885 1.00 0.00 N ATOM 526 CA MET A 35 -5.680 0.525 12.712 1.00 0.00 C ATOM 527 C MET A 35 -4.365 0.940 12.057 1.00 0.00 C ATOM 528 O MET A 35 -3.570 1.679 12.638 1.00 0.00 O ATOM 529 CB MET A 35 -5.405 -0.058 14.092 1.00 0.00 C ATOM 530 CG MET A 35 -6.653 -0.554 14.796 1.00 0.00 C ATOM 531 SD MET A 35 -7.836 0.765 15.129 1.00 0.00 S ATOM 532 CE MET A 35 -6.855 1.850 16.163 1.00 0.00 C ATOM 0 H MET A 35 -6.285 -1.420 12.209 1.00 0.00 H new ATOM 0 HA MET A 35 -6.315 1.405 12.812 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.699 -0.883 13.996 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.926 0.701 14.710 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.131 -1.319 14.184 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.371 -1.029 15.736 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.515 2.492 16.746 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.242 1.253 16.838 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.210 2.466 15.536 1.00 0.00 H new ATOM 542 N ILE A 36 -4.149 0.442 10.847 1.00 0.00 N ATOM 543 CA ILE A 36 -2.944 0.724 10.080 1.00 0.00 C ATOM 544 C ILE A 36 -3.031 2.074 9.366 1.00 0.00 C ATOM 545 O ILE A 36 -2.011 2.685 9.054 1.00 0.00 O ATOM 546 CB ILE A 36 -2.713 -0.393 9.046 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.528 -1.733 9.758 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.516 -0.079 8.171 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.338 -2.895 8.811 1.00 0.00 C ATOM 0 H ILE A 36 -4.808 -0.172 10.368 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.107 0.766 10.777 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.589 -0.458 8.401 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.664 -1.668 10.420 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.397 -1.925 10.387 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.373 -0.882 7.448 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.688 0.858 7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.625 0.013 8.792 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.213 -3.814 9.383 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.212 -2.985 8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.452 -2.725 8.199 1.00 0.00 H new ATOM 561 N ALA A 37 -4.252 2.537 9.115 1.00 0.00 N ATOM 562 CA ALA A 37 -4.467 3.817 8.444 1.00 0.00 C ATOM 563 C ALA A 37 -3.609 4.936 9.042 1.00 0.00 C ATOM 564 O ALA A 37 -2.986 5.700 8.305 1.00 0.00 O ATOM 565 CB ALA A 37 -5.939 4.195 8.496 1.00 0.00 C ATOM 0 H ALA A 37 -5.109 2.045 9.366 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.161 3.696 7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.087 5.151 7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.530 3.427 7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.257 4.279 9.535 1.00 0.00 H new ATOM 571 N PRO A 38 -3.553 5.050 10.384 1.00 0.00 N ATOM 572 CA PRO A 38 -2.752 6.083 11.039 1.00 0.00 C ATOM 573 C PRO A 38 -1.266 5.774 10.937 1.00 0.00 C ATOM 574 O PRO A 38 -0.443 6.675 10.773 1.00 0.00 O ATOM 575 CB PRO A 38 -3.227 6.049 12.491 1.00 0.00 C ATOM 576 CG PRO A 38 -3.757 4.671 12.696 1.00 0.00 C ATOM 577 CD PRO A 38 -4.243 4.183 11.355 1.00 0.00 C ATOM 0 HA PRO A 38 -2.876 7.064 10.581 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.408 6.262 13.178 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.998 6.798 12.671 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.981 4.013 13.088 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.569 4.674 13.423 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.994 3.133 11.199 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.326 4.270 11.268 1.00 0.00 H new ATOM 585 N MET A 39 -0.929 4.490 11.003 1.00 0.00 N ATOM 586 CA MET A 39 0.457 4.067 10.882 1.00 0.00 C ATOM 587 C MET A 39 0.951 4.397 9.482 1.00 0.00 C ATOM 588 O MET A 39 1.972 5.059 9.312 1.00 0.00 O ATOM 589 CB MET A 39 0.586 2.567 11.152 1.00 0.00 C ATOM 590 CG MET A 39 2.001 2.048 11.050 1.00 0.00 C ATOM 591 SD MET A 39 2.119 0.275 11.354 1.00 0.00 S ATOM 592 CE MET A 39 3.878 0.012 11.149 1.00 0.00 C ATOM 0 H MET A 39 -1.595 3.729 11.139 1.00 0.00 H new ATOM 0 HA MET A 39 1.063 4.594 11.619 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.201 2.353 12.149 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.042 2.025 10.445 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.393 2.269 10.057 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.630 2.577 11.766 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.160 -0.937 11.606 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.121 -0.011 10.087 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.426 0.823 11.629 1.00 0.00 H new ATOM 602 N ILE A 40 0.190 3.959 8.482 1.00 0.00 N ATOM 603 CA ILE A 40 0.516 4.227 7.086 1.00 0.00 C ATOM 604 C ILE A 40 0.826 5.710 6.885 1.00 0.00 C ATOM 605 O ILE A 40 1.596 6.083 5.999 1.00 0.00 O ATOM 606 CB ILE A 40 -0.657 3.819 6.159 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.873 2.308 6.196 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.407 4.282 4.727 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.033 1.843 5.337 1.00 0.00 C ATOM 0 H ILE A 40 -0.662 3.414 8.615 1.00 0.00 H new ATOM 0 HA ILE A 40 1.395 3.636 6.829 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.559 4.309 6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.038 1.810 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.047 1.999 7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.245 3.983 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.307 5.367 4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.510 3.827 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.129 0.760 5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.953 2.313 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.852 2.122 4.299 1.00 0.00 H new ATOM 621 N GLU A 41 0.218 6.548 7.720 1.00 0.00 N ATOM 622 CA GLU A 41 0.415 7.989 7.648 1.00 0.00 C ATOM 623 C GLU A 41 1.744 8.389 8.282 1.00 0.00 C ATOM 624 O GLU A 41 2.391 9.341 7.847 1.00 0.00 O ATOM 625 CB GLU A 41 -0.736 8.705 8.354 1.00 0.00 C ATOM 626 CG GLU A 41 -0.632 10.221 8.310 1.00 0.00 C ATOM 627 CD GLU A 41 -1.766 10.904 9.051 1.00 0.00 C ATOM 628 OE1 GLU A 41 -2.937 10.692 8.671 1.00 0.00 O ATOM 629 OE2 GLU A 41 -1.483 11.652 10.010 1.00 0.00 O ATOM 0 H GLU A 41 -0.419 6.249 8.458 1.00 0.00 H new ATOM 0 HA GLU A 41 0.435 8.282 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.677 8.401 7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.769 8.382 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.319 10.529 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.630 10.552 7.271 1.00 0.00 H new ATOM 636 N LYS A 42 2.141 7.655 9.315 1.00 0.00 N ATOM 637 CA LYS A 42 3.389 7.930 10.018 1.00 0.00 C ATOM 638 C LYS A 42 4.600 7.721 9.109 1.00 0.00 C ATOM 639 O LYS A 42 5.673 8.268 9.360 1.00 0.00 O ATOM 640 CB LYS A 42 3.502 7.034 11.255 1.00 0.00 C ATOM 641 CG LYS A 42 2.431 7.306 12.299 1.00 0.00 C ATOM 642 CD LYS A 42 2.488 6.309 13.451 1.00 0.00 C ATOM 643 CE LYS A 42 3.782 6.420 14.246 1.00 0.00 C ATOM 644 NZ LYS A 42 4.957 5.897 13.496 1.00 0.00 N ATOM 0 H LYS A 42 1.616 6.863 9.685 1.00 0.00 H new ATOM 0 HA LYS A 42 3.377 8.975 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.440 5.991 10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.484 7.174 11.707 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.553 8.317 12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.448 7.262 11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.640 6.476 14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.391 5.297 13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.956 7.464 14.507 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.678 5.871 15.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.585 5.385 14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.632 5.251 12.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.476 6.690 13.067 1.00 0.00 H new ATOM 658 N PHE A 43 4.424 6.925 8.059 1.00 0.00 N ATOM 659 CA PHE A 43 5.508 6.646 7.121 1.00 0.00 C ATOM 660 C PHE A 43 5.535 7.654 5.975 1.00 0.00 C ATOM 661 O PHE A 43 6.536 7.774 5.270 1.00 0.00 O ATOM 662 CB PHE A 43 5.378 5.225 6.567 1.00 0.00 C ATOM 663 CG PHE A 43 5.559 4.157 7.607 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.708 4.085 8.698 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.578 3.227 7.494 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.871 3.105 9.658 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.746 2.243 8.451 1.00 0.00 C ATOM 668 CZ PHE A 43 5.891 2.181 9.535 1.00 0.00 C ATOM 0 H PHE A 43 3.543 6.462 7.836 1.00 0.00 H new ATOM 0 HA PHE A 43 6.447 6.735 7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.396 5.111 6.108 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.117 5.082 5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.908 4.803 8.799 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.249 3.270 6.649 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.201 3.061 10.504 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.545 1.523 8.351 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.020 1.413 10.283 1.00 0.00 H new ATOM 678 N SER A 44 4.435 8.375 5.790 1.00 0.00 N ATOM 679 CA SER A 44 4.347 9.369 4.725 1.00 0.00 C ATOM 680 C SER A 44 5.151 10.624 5.070 1.00 0.00 C ATOM 681 O SER A 44 5.294 11.522 4.240 1.00 0.00 O ATOM 682 CB SER A 44 2.889 9.743 4.467 1.00 0.00 C ATOM 683 OG SER A 44 2.784 10.698 3.425 1.00 0.00 O ATOM 0 H SER A 44 3.594 8.291 6.361 1.00 0.00 H new ATOM 0 HA SER A 44 4.770 8.928 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.322 8.850 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.447 10.145 5.379 1.00 0.00 H new ATOM 0 HG SER A 44 3.614 11.216 3.371 1.00 0.00 H new ATOM 689 N GLU A 45 5.674 10.682 6.292 1.00 0.00 N ATOM 690 CA GLU A 45 6.459 11.830 6.731 1.00 0.00 C ATOM 691 C GLU A 45 7.940 11.633 6.423 1.00 0.00 C ATOM 692 O GLU A 45 8.676 12.597 6.210 1.00 0.00 O ATOM 693 CB GLU A 45 6.266 12.063 8.231 1.00 0.00 C ATOM 694 CG GLU A 45 7.046 13.251 8.770 1.00 0.00 C ATOM 695 CD GLU A 45 6.838 13.459 10.257 1.00 0.00 C ATOM 696 OE1 GLU A 45 5.680 13.675 10.671 1.00 0.00 O ATOM 697 OE2 GLU A 45 7.835 13.404 11.009 1.00 0.00 O ATOM 0 H GLU A 45 5.568 9.949 6.993 1.00 0.00 H new ATOM 0 HA GLU A 45 6.108 12.705 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.206 12.214 8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.569 11.166 8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.108 13.103 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.744 14.152 8.235 1.00 0.00 H new ATOM 704 N GLN A 46 8.373 10.375 6.405 1.00 0.00 N ATOM 705 CA GLN A 46 9.768 10.049 6.128 1.00 0.00 C ATOM 706 C GLN A 46 10.014 9.834 4.639 1.00 0.00 C ATOM 707 O GLN A 46 11.129 10.025 4.153 1.00 0.00 O ATOM 708 CB GLN A 46 10.178 8.805 6.910 1.00 0.00 C ATOM 709 CG GLN A 46 10.149 9.009 8.413 1.00 0.00 C ATOM 710 CD GLN A 46 10.559 7.767 9.180 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.676 7.270 9.028 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.656 7.258 10.009 1.00 0.00 N ATOM 0 H GLN A 46 7.778 9.565 6.579 1.00 0.00 H new ATOM 0 HA GLN A 46 10.376 10.896 6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.512 7.983 6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.183 8.509 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.815 9.830 8.677 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.144 9.303 8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.743 7.702 10.104 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.875 6.422 10.551 1.00 0.00 H new ATOM 721 N TYR A 47 8.973 9.432 3.917 1.00 0.00 N ATOM 722 CA TYR A 47 9.095 9.190 2.484 1.00 0.00 C ATOM 723 C TYR A 47 8.094 10.027 1.688 1.00 0.00 C ATOM 724 O TYR A 47 7.415 9.517 0.799 1.00 0.00 O ATOM 725 CB TYR A 47 8.891 7.707 2.196 1.00 0.00 C ATOM 726 CG TYR A 47 9.895 6.825 2.897 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.216 6.766 2.471 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.524 6.061 3.993 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.138 5.964 3.117 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.440 5.256 4.646 1.00 0.00 C ATOM 731 CZ TYR A 47 11.745 5.211 4.203 1.00 0.00 C ATOM 732 OH TYR A 47 12.661 4.412 4.848 1.00 0.00 O ATOM 0 H TYR A 47 8.041 9.268 4.298 1.00 0.00 H new ATOM 0 HA TYR A 47 10.096 9.487 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.886 7.418 2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.957 7.539 1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.527 7.356 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.503 6.095 4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.161 5.927 2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.135 4.666 5.498 1.00 0.00 H new ATOM 0 HH TYR A 47 12.232 3.572 5.114 1.00 0.00 H new ATOM 742 N PRO A 48 7.983 11.331 2.010 1.00 0.00 N ATOM 743 CA PRO A 48 7.061 12.248 1.336 1.00 0.00 C ATOM 744 C PRO A 48 6.932 11.994 -0.161 1.00 0.00 C ATOM 745 O PRO A 48 5.829 11.997 -0.710 1.00 0.00 O ATOM 746 CB PRO A 48 7.705 13.608 1.593 1.00 0.00 C ATOM 747 CG PRO A 48 8.379 13.469 2.919 1.00 0.00 C ATOM 748 CD PRO A 48 8.742 12.010 3.077 1.00 0.00 C ATOM 0 HA PRO A 48 6.042 12.145 1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.421 13.861 0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.958 14.402 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.270 14.096 2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.718 13.792 3.724 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.815 11.852 2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.466 11.635 4.063 1.00 0.00 H new ATOM 756 N GLN A 49 8.061 11.779 -0.815 1.00 0.00 N ATOM 757 CA GLN A 49 8.080 11.526 -2.255 1.00 0.00 C ATOM 758 C GLN A 49 7.198 10.335 -2.610 1.00 0.00 C ATOM 759 O GLN A 49 6.614 10.280 -3.692 1.00 0.00 O ATOM 760 CB GLN A 49 9.509 11.273 -2.743 1.00 0.00 C ATOM 761 CG GLN A 49 10.456 12.433 -2.481 1.00 0.00 C ATOM 762 CD GLN A 49 10.019 13.710 -3.170 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.912 13.763 -4.396 1.00 0.00 O ATOM 764 NE2 GLN A 49 9.762 14.750 -2.384 1.00 0.00 N ATOM 0 H GLN A 49 8.981 11.774 -0.375 1.00 0.00 H new ATOM 0 HA GLN A 49 7.688 12.414 -2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.898 10.380 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.487 11.067 -3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.521 12.608 -1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.456 12.165 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.864 14.662 -1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.463 15.636 -2.792 1.00 0.00 H new ATOM 773 N ALA A 50 7.102 9.383 -1.693 1.00 0.00 N ATOM 774 CA ALA A 50 6.293 8.196 -1.911 1.00 0.00 C ATOM 775 C ALA A 50 4.864 8.419 -1.430 1.00 0.00 C ATOM 776 O ALA A 50 4.638 8.927 -0.333 1.00 0.00 O ATOM 777 CB ALA A 50 6.909 7.000 -1.199 1.00 0.00 C ATOM 0 H ALA A 50 7.576 9.411 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 50 6.266 7.992 -2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.293 6.117 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.912 6.823 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.964 7.202 -0.129 1.00 0.00 H new ATOM 783 N ASP A 51 3.901 8.035 -2.261 1.00 0.00 N ATOM 784 CA ASP A 51 2.495 8.194 -1.918 1.00 0.00 C ATOM 785 C ASP A 51 1.983 6.962 -1.184 1.00 0.00 C ATOM 786 O ASP A 51 2.051 5.846 -1.700 1.00 0.00 O ATOM 787 CB ASP A 51 1.660 8.435 -3.177 1.00 0.00 C ATOM 788 CG ASP A 51 2.087 9.682 -3.924 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.260 9.748 -4.348 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.250 10.595 -4.085 1.00 0.00 O ATOM 0 H ASP A 51 4.069 7.613 -3.174 1.00 0.00 H new ATOM 0 HA ASP A 51 2.400 9.059 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.746 7.572 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.609 8.522 -2.901 1.00 0.00 H new ATOM 795 N PHE A 52 1.480 7.171 0.024 1.00 0.00 N ATOM 796 CA PHE A 52 0.968 6.073 0.830 1.00 0.00 C ATOM 797 C PHE A 52 -0.543 5.939 0.690 1.00 0.00 C ATOM 798 O PHE A 52 -1.305 6.709 1.274 1.00 0.00 O ATOM 799 CB PHE A 52 1.343 6.269 2.298 1.00 0.00 C ATOM 800 CG PHE A 52 2.824 6.207 2.550 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.681 7.124 1.966 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.359 5.224 3.368 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.043 7.066 2.193 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.719 5.161 3.600 1.00 0.00 C ATOM 805 CZ PHE A 52 5.562 6.082 3.011 1.00 0.00 C ATOM 0 H PHE A 52 1.416 8.088 0.466 1.00 0.00 H new ATOM 0 HA PHE A 52 1.425 5.153 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.965 7.234 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.848 5.505 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.280 7.895 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.705 4.499 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.700 7.789 1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.123 4.392 4.242 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.626 6.033 3.190 1.00 0.00 H new ATOM 815 N TYR A 53 -0.965 4.945 -0.081 1.00 0.00 N ATOM 816 CA TYR A 53 -2.380 4.684 -0.297 1.00 0.00 C ATOM 817 C TYR A 53 -2.769 3.342 0.310 1.00 0.00 C ATOM 818 O TYR A 53 -1.947 2.678 0.939 1.00 0.00 O ATOM 819 CB TYR A 53 -2.709 4.704 -1.790 1.00 0.00 C ATOM 820 CG TYR A 53 -2.813 6.096 -2.370 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.831 6.955 -1.978 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.899 6.549 -3.313 1.00 0.00 C ATOM 823 CE1 TYR A 53 -3.935 8.226 -2.509 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.995 7.819 -3.848 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.015 8.655 -3.443 1.00 0.00 C ATOM 826 OH TYR A 53 -3.116 9.920 -3.973 1.00 0.00 O ATOM 0 H TYR A 53 -0.341 4.303 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.953 5.470 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.940 4.151 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.651 4.181 -1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.553 6.624 -1.246 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.100 5.897 -3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.734 8.881 -2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.275 8.156 -4.580 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.390 10.065 -4.615 1.00 0.00 H new ATOM 836 N LYS A 54 -4.022 2.948 0.126 1.00 0.00 N ATOM 837 CA LYS A 54 -4.500 1.686 0.669 1.00 0.00 C ATOM 838 C LYS A 54 -5.525 1.040 -0.257 1.00 0.00 C ATOM 839 O LYS A 54 -6.476 1.682 -0.697 1.00 0.00 O ATOM 840 CB LYS A 54 -5.108 1.912 2.051 1.00 0.00 C ATOM 841 CG LYS A 54 -4.175 2.634 3.010 1.00 0.00 C ATOM 842 CD LYS A 54 -4.869 2.975 4.320 1.00 0.00 C ATOM 843 CE LYS A 54 -5.996 3.974 4.109 1.00 0.00 C ATOM 844 NZ LYS A 54 -6.755 4.233 5.363 1.00 0.00 N ATOM 0 H LYS A 54 -4.721 3.481 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.651 1.008 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.027 2.489 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.384 0.949 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.305 2.009 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.810 3.549 2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.267 2.065 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.143 3.386 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.584 4.911 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.676 3.597 3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.706 4.582 5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.835 3.351 5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.255 4.947 5.930 1.00 0.00 H new ATOM 858 N LEU A 55 -5.315 -0.240 -0.546 1.00 0.00 N ATOM 859 CA LEU A 55 -6.212 -0.987 -1.420 1.00 0.00 C ATOM 860 C LEU A 55 -7.312 -1.659 -0.604 1.00 0.00 C ATOM 861 O LEU A 55 -7.058 -2.193 0.475 1.00 0.00 O ATOM 862 CB LEU A 55 -5.417 -2.025 -2.216 1.00 0.00 C ATOM 863 CG LEU A 55 -6.180 -2.709 -3.353 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.248 -3.642 -2.805 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.803 -1.671 -4.276 1.00 0.00 C ATOM 0 H LEU A 55 -4.530 -0.783 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.683 -0.296 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.535 -1.539 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.062 -2.792 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.471 -3.305 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.776 -4.116 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.780 -4.408 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.955 -3.072 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.342 -2.175 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.495 -1.049 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.019 -1.045 -4.702 1.00 0.00 H new ATOM 877 N ASP A 56 -8.537 -1.614 -1.119 1.00 0.00 N ATOM 878 CA ASP A 56 -9.672 -2.205 -0.425 1.00 0.00 C ATOM 879 C ASP A 56 -9.947 -3.623 -0.914 1.00 0.00 C ATOM 880 O ASP A 56 -10.440 -3.822 -2.024 1.00 0.00 O ATOM 881 CB ASP A 56 -10.922 -1.341 -0.622 1.00 0.00 C ATOM 882 CG ASP A 56 -12.018 -1.678 0.370 1.00 0.00 C ATOM 883 OD1 ASP A 56 -11.748 -1.636 1.588 1.00 0.00 O ATOM 884 OD2 ASP A 56 -13.149 -1.971 -0.069 1.00 0.00 O ATOM 0 H ASP A 56 -8.767 -1.176 -2.011 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.424 -2.251 0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.654 -0.289 -0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.299 -1.477 -1.636 1.00 0.00 H new ATOM 889 N VAL A 57 -9.644 -4.605 -0.072 1.00 0.00 N ATOM 890 CA VAL A 57 -9.880 -6.003 -0.416 1.00 0.00 C ATOM 891 C VAL A 57 -11.377 -6.310 -0.416 1.00 0.00 C ATOM 892 O VAL A 57 -11.805 -7.365 -0.884 1.00 0.00 O ATOM 893 CB VAL A 57 -9.150 -6.954 0.560 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.458 -8.412 0.241 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.648 -6.705 0.503 1.00 0.00 C ATOM 0 H VAL A 57 -9.236 -4.460 0.851 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.481 -6.167 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.508 -6.749 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.931 -9.057 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.531 -8.584 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.133 -8.639 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.141 -7.379 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.288 -6.885 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.439 -5.673 0.785 1.00 0.00 H new ATOM 905 N ASP A 58 -12.170 -5.374 0.106 1.00 0.00 N ATOM 906 CA ASP A 58 -13.617 -5.532 0.164 1.00 0.00 C ATOM 907 C ASP A 58 -14.262 -4.999 -1.110 1.00 0.00 C ATOM 908 O ASP A 58 -15.193 -5.599 -1.649 1.00 0.00 O ATOM 909 CB ASP A 58 -14.181 -4.780 1.370 1.00 0.00 C ATOM 910 CG ASP A 58 -15.657 -5.048 1.582 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.453 -4.744 0.669 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.018 -5.562 2.662 1.00 0.00 O ATOM 0 H ASP A 58 -11.829 -4.495 0.496 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.842 -6.594 0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.630 -5.070 2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.025 -3.710 1.232 1.00 0.00 H new ATOM 917 N GLU A 59 -13.761 -3.862 -1.579 1.00 0.00 N ATOM 918 CA GLU A 59 -14.283 -3.230 -2.781 1.00 0.00 C ATOM 919 C GLU A 59 -13.497 -3.674 -4.013 1.00 0.00 C ATOM 920 O GLU A 59 -14.081 -4.048 -5.030 1.00 0.00 O ATOM 921 CB GLU A 59 -14.225 -1.705 -2.642 1.00 0.00 C ATOM 922 CG GLU A 59 -14.871 -0.964 -3.799 1.00 0.00 C ATOM 923 CD GLU A 59 -16.362 -1.226 -3.906 1.00 0.00 C ATOM 924 OE1 GLU A 59 -16.895 -1.984 -3.068 1.00 0.00 O ATOM 925 OE2 GLU A 59 -16.996 -0.675 -4.829 1.00 0.00 O ATOM 0 H GLU A 59 -12.990 -3.358 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.321 -3.538 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.718 -1.414 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.183 -1.395 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.703 0.106 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.387 -1.260 -4.730 1.00 0.00 H new ATOM 932 N LEU A 60 -12.172 -3.636 -3.910 1.00 0.00 N ATOM 933 CA LEU A 60 -11.308 -4.042 -5.014 1.00 0.00 C ATOM 934 C LEU A 60 -10.751 -5.442 -4.782 1.00 0.00 C ATOM 935 O LEU A 60 -9.555 -5.684 -4.955 1.00 0.00 O ATOM 936 CB LEU A 60 -10.156 -3.049 -5.191 1.00 0.00 C ATOM 937 CG LEU A 60 -10.566 -1.645 -5.636 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.440 -0.985 -4.584 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.337 -0.795 -5.918 1.00 0.00 C ATOM 0 H LEU A 60 -11.674 -3.329 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.910 -4.052 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.618 -2.970 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.458 -3.455 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.143 -1.732 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.721 0.013 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.338 -1.583 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.888 -0.911 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.648 0.201 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.733 -0.717 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.748 -1.259 -6.709 1.00 0.00 H new ATOM 951 N GLY A 61 -11.624 -6.366 -4.393 1.00 0.00 N ATOM 952 CA GLY A 61 -11.198 -7.732 -4.150 1.00 0.00 C ATOM 953 C GLY A 61 -10.531 -8.355 -5.361 1.00 0.00 C ATOM 954 O GLY A 61 -9.790 -9.330 -5.236 1.00 0.00 O ATOM 0 H GLY A 61 -12.618 -6.193 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.505 -7.749 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.061 -8.333 -3.865 1.00 0.00 H new ATOM 958 N ASP A 62 -10.797 -7.794 -6.538 1.00 0.00 N ATOM 959 CA ASP A 62 -10.220 -8.300 -7.776 1.00 0.00 C ATOM 960 C ASP A 62 -8.727 -7.994 -7.864 1.00 0.00 C ATOM 961 O ASP A 62 -7.984 -8.695 -8.549 1.00 0.00 O ATOM 962 CB ASP A 62 -10.941 -7.705 -8.975 1.00 0.00 C ATOM 963 CG ASP A 62 -12.418 -8.046 -8.995 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.748 -9.250 -9.038 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.244 -7.111 -8.967 1.00 0.00 O ATOM 0 H ASP A 62 -11.410 -6.988 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.344 -9.383 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.822 -6.622 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.476 -8.068 -9.891 1.00 0.00 H new ATOM 970 N VAL A 63 -8.293 -6.945 -7.171 1.00 0.00 N ATOM 971 CA VAL A 63 -6.887 -6.558 -7.183 1.00 0.00 C ATOM 972 C VAL A 63 -6.075 -7.442 -6.237 1.00 0.00 C ATOM 973 O VAL A 63 -5.071 -8.032 -6.636 1.00 0.00 O ATOM 974 CB VAL A 63 -6.702 -5.075 -6.798 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.293 -4.608 -7.125 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.731 -4.204 -7.506 1.00 0.00 C ATOM 0 H VAL A 63 -8.892 -6.351 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.523 -6.694 -8.202 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.854 -4.981 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.183 -3.560 -6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.573 -5.209 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.112 -4.720 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.584 -3.162 -7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.613 -4.305 -8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.734 -4.520 -7.219 1.00 0.00 H new ATOM 986 N ALA A 64 -6.532 -7.554 -4.989 1.00 0.00 N ATOM 987 CA ALA A 64 -5.861 -8.396 -3.997 1.00 0.00 C ATOM 988 C ALA A 64 -5.741 -9.826 -4.517 1.00 0.00 C ATOM 989 O ALA A 64 -4.828 -10.561 -4.144 1.00 0.00 O ATOM 990 CB ALA A 64 -6.629 -8.372 -2.682 1.00 0.00 C ATOM 0 H ALA A 64 -7.362 -7.074 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.859 -8.004 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.120 -9.002 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.678 -7.349 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.639 -8.748 -2.844 1.00 0.00 H new ATOM 996 N GLN A 65 -6.673 -10.205 -5.390 1.00 0.00 N ATOM 997 CA GLN A 65 -6.681 -11.538 -5.978 1.00 0.00 C ATOM 998 C GLN A 65 -5.869 -11.564 -7.271 1.00 0.00 C ATOM 999 O GLN A 65 -5.341 -12.605 -7.660 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.118 -11.986 -6.253 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.217 -13.375 -6.863 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.650 -13.793 -7.126 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -10.368 -13.143 -7.885 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -10.073 -14.885 -6.498 1.00 0.00 N ATOM 0 H GLN A 65 -7.434 -9.603 -5.705 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.223 -12.227 -5.268 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.680 -11.968 -5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.591 -11.269 -6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.658 -13.398 -7.798 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.749 -14.096 -6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.443 -15.393 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.028 -15.215 -6.637 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.767 -10.412 -7.928 1.00 0.00 N ATOM 1014 CA LYS A 66 -5.014 -10.301 -9.163 1.00 0.00 C ATOM 1015 C LYS A 66 -3.520 -10.422 -8.875 1.00 0.00 C ATOM 1016 O LYS A 66 -2.817 -11.218 -9.497 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.358 -8.974 -9.846 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.165 -8.206 -10.387 1.00 0.00 C ATOM 1019 CD LYS A 66 -3.510 -8.926 -11.556 1.00 0.00 C ATOM 1020 CE LYS A 66 -2.307 -8.156 -12.080 1.00 0.00 C ATOM 1021 NZ LYS A 66 -1.257 -7.991 -11.037 1.00 0.00 N ATOM 0 H LYS A 66 -6.200 -9.541 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.282 -11.112 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.047 -9.172 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.886 -8.341 -9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.486 -7.214 -10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.433 -8.065 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.198 -9.922 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.237 -9.057 -12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.887 -8.679 -12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.628 -7.175 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.391 -7.615 -11.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.593 -7.330 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.053 -8.913 -10.601 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.049 -9.639 -7.910 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.657 -9.661 -7.516 1.00 0.00 C ATOM 1037 C ASN A 67 -1.350 -10.894 -6.664 1.00 0.00 C ATOM 1038 O ASN A 67 -0.205 -11.116 -6.271 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.336 -8.392 -6.735 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.492 -7.142 -7.579 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.818 -6.976 -8.596 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.385 -6.251 -7.160 1.00 0.00 N ATOM 0 H ASN A 67 -3.622 -8.978 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.038 -9.708 -8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.992 -8.326 -5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.315 -8.448 -6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.533 -5.390 -7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.923 -6.428 -6.311 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.381 -11.692 -6.383 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.231 -12.901 -5.584 1.00 0.00 C ATOM 1051 C GLU A 68 -1.880 -12.566 -4.140 1.00 0.00 C ATOM 1052 O GLU A 68 -1.073 -13.253 -3.514 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.160 -13.812 -6.188 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.449 -14.215 -7.625 1.00 0.00 C ATOM 1055 CD GLU A 68 -0.369 -15.100 -8.215 1.00 0.00 C ATOM 1056 OE1 GLU A 68 0.612 -15.398 -7.502 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -0.502 -15.493 -9.393 1.00 0.00 O ATOM 0 H GLU A 68 -3.334 -11.518 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.186 -13.426 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.197 -13.304 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.072 -14.711 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.404 -14.739 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.551 -13.318 -8.236 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.491 -11.509 -3.608 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.235 -11.103 -2.235 1.00 0.00 C ATOM 1066 C VAL A 69 -3.465 -11.321 -1.361 1.00 0.00 C ATOM 1067 O VAL A 69 -4.246 -10.399 -1.129 1.00 0.00 O ATOM 1068 CB VAL A 69 -1.817 -9.624 -2.155 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.489 -9.241 -0.721 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.633 -9.354 -3.070 1.00 0.00 C ATOM 0 H VAL A 69 -3.162 -10.924 -4.106 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.417 -11.723 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.653 -9.010 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.195 -8.192 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.367 -9.395 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.669 -9.861 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.351 -8.303 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.209 -9.976 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.907 -9.589 -4.099 1.00 0.00 H new ATOM 1080 N SER A 70 -3.631 -12.547 -0.878 1.00 0.00 N ATOM 1081 CA SER A 70 -4.765 -12.882 -0.027 1.00 0.00 C ATOM 1082 C SER A 70 -4.411 -12.733 1.453 1.00 0.00 C ATOM 1083 O SER A 70 -5.231 -13.026 2.324 1.00 0.00 O ATOM 1084 CB SER A 70 -5.241 -14.307 -0.308 1.00 0.00 C ATOM 1085 OG SER A 70 -4.221 -15.250 -0.027 1.00 0.00 O ATOM 0 H SER A 70 -2.996 -13.324 -1.061 1.00 0.00 H new ATOM 0 HA SER A 70 -5.570 -12.185 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.120 -14.526 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.543 -14.394 -1.352 1.00 0.00 H new ATOM 0 HG SER A 70 -4.551 -16.154 -0.213 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.193 -12.270 1.736 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.751 -12.081 3.112 1.00 0.00 C ATOM 1093 C ALA A 71 -3.667 -11.097 3.833 1.00 0.00 C ATOM 1094 O ALA A 71 -4.778 -10.831 3.376 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.309 -11.598 3.142 1.00 0.00 C ATOM 0 H ALA A 71 -2.499 -12.021 1.031 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.802 -13.038 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.993 -11.461 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.668 -12.337 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.232 -10.650 2.610 1.00 0.00 H new ATOM 1101 N MET A 72 -3.211 -10.559 4.961 1.00 0.00 N ATOM 1102 CA MET A 72 -4.027 -9.616 5.712 1.00 0.00 C ATOM 1103 C MET A 72 -3.271 -8.999 6.890 1.00 0.00 C ATOM 1104 O MET A 72 -3.230 -9.570 7.976 1.00 0.00 O ATOM 1105 CB MET A 72 -5.299 -10.304 6.214 1.00 0.00 C ATOM 1106 CG MET A 72 -5.054 -11.452 7.181 1.00 0.00 C ATOM 1107 SD MET A 72 -4.226 -12.862 6.416 1.00 0.00 S ATOM 1108 CE MET A 72 -4.107 -13.981 7.810 1.00 0.00 C ATOM 0 H MET A 72 -2.297 -10.757 5.368 1.00 0.00 H new ATOM 0 HA MET A 72 -4.289 -8.805 5.032 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.930 -9.562 6.703 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.856 -10.681 5.356 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.451 -11.093 8.015 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.008 -11.780 7.595 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.816 -14.971 7.458 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.359 -13.611 8.511 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.074 -14.043 8.310 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.657 -7.813 6.702 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.653 -7.062 5.442 1.00 0.00 C ATOM 1120 C PRO A 73 -1.449 -7.400 4.563 1.00 0.00 C ATOM 1121 O PRO A 73 -0.799 -8.428 4.753 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.544 -5.637 5.951 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.603 -5.759 7.095 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.902 -7.090 7.741 1.00 0.00 C ATOM 0 HA PRO A 73 -3.520 -7.271 4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.161 -4.963 5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.512 -5.246 6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.568 -5.714 6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.742 -4.942 7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.988 -7.618 8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.487 -6.971 8.653 1.00 0.00 H new ATOM 1132 N THR A 74 -1.146 -6.516 3.609 1.00 0.00 N ATOM 1133 CA THR A 74 -0.007 -6.709 2.714 1.00 0.00 C ATOM 1134 C THR A 74 0.473 -5.373 2.158 1.00 0.00 C ATOM 1135 O THR A 74 -0.319 -4.453 1.967 1.00 0.00 O ATOM 1136 CB THR A 74 -0.375 -7.635 1.554 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.939 -8.846 2.026 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.814 -7.991 0.685 1.00 0.00 C ATOM 0 H THR A 74 -1.675 -5.661 3.438 1.00 0.00 H new ATOM 0 HA THR A 74 0.794 -7.167 3.294 1.00 0.00 H new ATOM 0 HB THR A 74 -1.097 -7.078 0.957 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.915 -8.803 1.951 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.491 -8.650 -0.121 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.240 -7.082 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.567 -8.498 1.288 1.00 0.00 H new ATOM 1146 N LEU A 75 1.773 -5.271 1.898 1.00 0.00 N ATOM 1147 CA LEU A 75 2.349 -4.041 1.363 1.00 0.00 C ATOM 1148 C LEU A 75 2.789 -4.219 -0.087 1.00 0.00 C ATOM 1149 O LEU A 75 3.571 -5.116 -0.403 1.00 0.00 O ATOM 1150 CB LEU A 75 3.541 -3.607 2.211 1.00 0.00 C ATOM 1151 CG LEU A 75 3.237 -3.382 3.692 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.499 -2.977 4.433 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.154 -2.327 3.859 1.00 0.00 C ATOM 0 H LEU A 75 2.446 -6.023 2.048 1.00 0.00 H new ATOM 0 HA LEU A 75 1.579 -3.271 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.321 -4.364 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.946 -2.684 1.795 1.00 0.00 H new ATOM 0 HG LEU A 75 2.872 -4.316 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.268 -2.820 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.245 -3.766 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.891 -2.054 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.950 -2.180 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.490 -1.388 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.244 -2.657 3.357 1.00 0.00 H new ATOM 1165 N LEU A 76 2.290 -3.351 -0.963 1.00 0.00 N ATOM 1166 CA LEU A 76 2.642 -3.402 -2.378 1.00 0.00 C ATOM 1167 C LEU A 76 3.274 -2.086 -2.827 1.00 0.00 C ATOM 1168 O LEU A 76 2.714 -1.012 -2.613 1.00 0.00 O ATOM 1169 CB LEU A 76 1.405 -3.710 -3.230 1.00 0.00 C ATOM 1170 CG LEU A 76 0.802 -5.103 -3.017 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.215 -5.418 -4.105 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.894 -6.164 -2.983 1.00 0.00 C ATOM 0 H LEU A 76 1.641 -2.604 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 76 3.370 -4.201 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.640 -2.963 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.671 -3.603 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 76 0.290 -5.109 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.632 -6.411 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.016 -4.679 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.274 -5.390 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.444 -7.145 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.438 -6.157 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.583 -5.951 -2.166 1.00 0.00 H new ATOM 1184 N LEU A 77 4.449 -2.181 -3.445 1.00 0.00 N ATOM 1185 CA LEU A 77 5.163 -1.000 -3.919 1.00 0.00 C ATOM 1186 C LEU A 77 5.159 -0.933 -5.444 1.00 0.00 C ATOM 1187 O LEU A 77 5.288 -1.952 -6.121 1.00 0.00 O ATOM 1188 CB LEU A 77 6.601 -1.001 -3.393 1.00 0.00 C ATOM 1189 CG LEU A 77 6.737 -0.884 -1.872 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.105 -2.084 -1.184 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.199 -0.750 -1.476 1.00 0.00 C ATOM 0 H LEU A 77 4.926 -3.064 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 77 4.648 -0.118 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.089 -1.921 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.141 -0.174 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 77 6.209 0.013 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.212 -1.982 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.047 -2.135 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.603 -2.996 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.276 -0.668 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.749 -1.628 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.621 0.142 -1.938 1.00 0.00 H new ATOM 1203 N PHE A 78 4.996 0.278 -5.975 1.00 0.00 N ATOM 1204 CA PHE A 78 4.954 0.489 -7.419 1.00 0.00 C ATOM 1205 C PHE A 78 5.698 1.768 -7.804 1.00 0.00 C ATOM 1206 O PHE A 78 5.400 2.843 -7.285 1.00 0.00 O ATOM 1207 CB PHE A 78 3.495 0.590 -7.871 1.00 0.00 C ATOM 1208 CG PHE A 78 2.645 -0.559 -7.404 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.791 -1.821 -7.957 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.710 -0.378 -6.398 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.017 -2.880 -7.519 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.932 -1.433 -5.956 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.086 -2.684 -6.515 1.00 0.00 C ATOM 0 H PHE A 78 4.891 1.130 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 78 5.441 -0.354 -7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.070 1.522 -7.498 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.462 0.638 -8.959 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.518 -1.980 -8.740 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.587 0.599 -5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.139 -3.858 -7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.204 -1.277 -5.173 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.481 -3.509 -6.170 1.00 0.00 H new ATOM 1223 N LYS A 79 6.661 1.659 -8.722 1.00 0.00 N ATOM 1224 CA LYS A 79 7.421 2.833 -9.160 1.00 0.00 C ATOM 1225 C LYS A 79 7.070 3.223 -10.596 1.00 0.00 C ATOM 1226 O LYS A 79 7.094 2.389 -11.498 1.00 0.00 O ATOM 1227 CB LYS A 79 8.928 2.580 -9.042 1.00 0.00 C ATOM 1228 CG LYS A 79 9.459 2.684 -7.620 1.00 0.00 C ATOM 1229 CD LYS A 79 10.946 2.368 -7.555 1.00 0.00 C ATOM 1230 CE LYS A 79 11.757 3.328 -8.411 1.00 0.00 C ATOM 1231 NZ LYS A 79 13.216 3.032 -8.345 1.00 0.00 N ATOM 0 H LYS A 79 6.931 0.784 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 79 7.148 3.660 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.152 1.587 -9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.457 3.296 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.283 3.689 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.911 1.997 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.286 2.424 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.117 1.345 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.420 3.265 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.578 4.351 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.735 3.708 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.543 3.116 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.390 2.065 -8.686 1.00 0.00 H new ATOM 1245 N ASN A 80 6.746 4.504 -10.799 1.00 0.00 N ATOM 1246 CA ASN A 80 6.395 5.012 -12.126 1.00 0.00 C ATOM 1247 C ASN A 80 5.415 4.082 -12.844 1.00 0.00 C ATOM 1248 O ASN A 80 5.712 3.549 -13.912 1.00 0.00 O ATOM 1249 CB ASN A 80 7.659 5.203 -12.970 1.00 0.00 C ATOM 1250 CG ASN A 80 7.383 5.901 -14.289 1.00 0.00 C ATOM 1251 OD1 ASN A 80 7.995 7.063 -14.482 1.00 0.00 O flip ATOM 1252 ND2 ASN A 80 6.627 5.405 -15.125 1.00 0.00 N flip ATOM 0 H ASN A 80 6.720 5.207 -10.060 1.00 0.00 H new ATOM 0 HA ASN A 80 5.902 5.975 -11.994 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.386 5.783 -12.402 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.110 4.230 -13.166 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.176 4.509 -14.937 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.452 5.890 -16.005 1.00 0.00 H new ATOM 1259 N GLY A 81 4.241 3.902 -12.252 1.00 0.00 N ATOM 1260 CA GLY A 81 3.220 3.050 -12.837 1.00 0.00 C ATOM 1261 C GLY A 81 3.697 1.636 -13.116 1.00 0.00 C ATOM 1262 O GLY A 81 3.070 0.907 -13.884 1.00 0.00 O ATOM 0 H GLY A 81 3.975 4.335 -11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.363 3.010 -12.165 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.874 3.498 -13.768 1.00 0.00 H new ATOM 1266 N LYS A 82 4.797 1.242 -12.488 1.00 0.00 N ATOM 1267 CA LYS A 82 5.342 -0.098 -12.669 1.00 0.00 C ATOM 1268 C LYS A 82 5.269 -0.867 -11.353 1.00 0.00 C ATOM 1269 O LYS A 82 4.445 -0.562 -10.493 1.00 0.00 O ATOM 1270 CB LYS A 82 6.786 -0.025 -13.185 1.00 0.00 C ATOM 1271 CG LYS A 82 6.926 0.713 -14.505 1.00 0.00 C ATOM 1272 CD LYS A 82 8.373 0.746 -14.973 1.00 0.00 C ATOM 1273 CE LYS A 82 8.511 1.478 -16.298 1.00 0.00 C ATOM 1274 NZ LYS A 82 8.045 2.890 -16.210 1.00 0.00 N ATOM 0 H LYS A 82 5.330 1.831 -11.848 1.00 0.00 H new ATOM 0 HA LYS A 82 4.748 -0.628 -13.414 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.406 0.468 -12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.172 -1.038 -13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.309 0.229 -15.261 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.555 1.732 -14.395 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.990 1.236 -14.219 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.746 -0.273 -15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.554 1.460 -16.614 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.937 0.954 -17.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.355 3.411 -17.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.007 2.910 -16.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.447 3.336 -15.361 1.00 0.00 H new ATOM 1288 N GLU A 83 6.128 -1.860 -11.202 1.00 0.00 N ATOM 1289 CA GLU A 83 6.157 -2.668 -9.994 1.00 0.00 C ATOM 1290 C GLU A 83 7.411 -2.345 -9.187 1.00 0.00 C ATOM 1291 O GLU A 83 8.265 -1.582 -9.640 1.00 0.00 O ATOM 1292 CB GLU A 83 6.116 -4.155 -10.370 1.00 0.00 C ATOM 1293 CG GLU A 83 6.123 -5.109 -9.183 1.00 0.00 C ATOM 1294 CD GLU A 83 5.896 -6.549 -9.595 1.00 0.00 C ATOM 1295 OE1 GLU A 83 4.832 -6.840 -10.181 1.00 0.00 O ATOM 1296 OE2 GLU A 83 6.784 -7.388 -9.331 1.00 0.00 O ATOM 0 H GLU A 83 6.818 -2.127 -11.904 1.00 0.00 H new ATOM 0 HA GLU A 83 5.286 -2.441 -9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.221 -4.342 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.973 -4.380 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.077 -5.029 -8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.349 -4.810 -8.476 1.00 0.00 H new ATOM 1303 N VAL A 84 7.505 -2.901 -7.985 1.00 0.00 N ATOM 1304 CA VAL A 84 8.650 -2.659 -7.123 1.00 0.00 C ATOM 1305 C VAL A 84 8.954 -3.878 -6.263 1.00 0.00 C ATOM 1306 O VAL A 84 9.977 -4.540 -6.442 1.00 0.00 O ATOM 1307 CB VAL A 84 8.427 -1.452 -6.220 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.659 -1.166 -5.374 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.035 -0.237 -7.043 1.00 0.00 C ATOM 0 H VAL A 84 6.801 -3.522 -7.587 1.00 0.00 H new ATOM 0 HA VAL A 84 9.499 -2.457 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 84 7.607 -1.682 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.472 -0.300 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.881 -2.032 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.508 -0.961 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.880 0.616 -6.382 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.830 -0.006 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.114 -0.447 -7.586 1.00 0.00 H new ATOM 1319 N ALA A 85 8.057 -4.172 -5.327 1.00 0.00 N ATOM 1320 CA ALA A 85 8.231 -5.313 -4.441 1.00 0.00 C ATOM 1321 C ALA A 85 6.973 -5.572 -3.620 1.00 0.00 C ATOM 1322 O ALA A 85 6.180 -4.662 -3.376 1.00 0.00 O ATOM 1323 CB ALA A 85 9.424 -5.093 -3.523 1.00 0.00 C ATOM 0 H ALA A 85 7.205 -3.636 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 85 8.417 -6.192 -5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.541 -5.955 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.326 -4.968 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.261 -4.198 -2.922 1.00 0.00 H new ATOM 1329 N LYS A 86 6.801 -6.816 -3.185 1.00 0.00 N ATOM 1330 CA LYS A 86 5.646 -7.192 -2.380 1.00 0.00 C ATOM 1331 C LYS A 86 6.085 -7.600 -0.978 1.00 0.00 C ATOM 1332 O LYS A 86 6.790 -8.595 -0.800 1.00 0.00 O ATOM 1333 CB LYS A 86 4.876 -8.332 -3.048 1.00 0.00 C ATOM 1334 CG LYS A 86 5.711 -9.579 -3.294 1.00 0.00 C ATOM 1335 CD LYS A 86 4.904 -10.659 -3.996 1.00 0.00 C ATOM 1336 CE LYS A 86 5.739 -11.905 -4.247 1.00 0.00 C ATOM 1337 NZ LYS A 86 4.956 -12.967 -4.939 1.00 0.00 N ATOM 0 H LYS A 86 7.448 -7.581 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 86 4.986 -6.328 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.022 -8.596 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.478 -7.980 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.581 -9.322 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.084 -9.962 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.036 -10.918 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.528 -10.275 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.609 -11.644 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.113 -12.289 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.560 -13.800 -5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.140 -13.234 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.621 -12.609 -5.856 1.00 0.00 H new ATOM 1351 N VAL A 87 5.671 -6.822 0.016 1.00 0.00 N ATOM 1352 CA VAL A 87 6.030 -7.099 1.400 1.00 0.00 C ATOM 1353 C VAL A 87 4.791 -7.343 2.256 1.00 0.00 C ATOM 1354 O VAL A 87 4.318 -6.443 2.949 1.00 0.00 O ATOM 1355 CB VAL A 87 6.845 -5.942 2.010 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.273 -6.272 3.433 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.054 -5.625 1.142 1.00 0.00 C ATOM 0 H VAL A 87 5.087 -5.995 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 87 6.642 -8.001 1.392 1.00 0.00 H new ATOM 0 HB VAL A 87 6.208 -5.058 2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.847 -5.441 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.390 -6.441 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.890 -7.171 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.618 -4.806 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.691 -6.506 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.721 -5.336 0.145 1.00 0.00 H new ATOM 1367 N VAL A 88 4.277 -8.567 2.210 1.00 0.00 N ATOM 1368 CA VAL A 88 3.101 -8.931 2.988 1.00 0.00 C ATOM 1369 C VAL A 88 3.369 -8.765 4.482 1.00 0.00 C ATOM 1370 O VAL A 88 3.740 -9.717 5.168 1.00 0.00 O ATOM 1371 CB VAL A 88 2.664 -10.382 2.692 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.850 -11.328 2.804 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.546 -10.817 3.630 1.00 0.00 C ATOM 0 H VAL A 88 4.657 -9.324 1.641 1.00 0.00 H new ATOM 0 HA VAL A 88 2.293 -8.260 2.696 1.00 0.00 H new ATOM 0 HB VAL A 88 2.284 -10.419 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.524 -12.346 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.617 -11.036 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.259 -11.280 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.257 -11.843 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.894 -10.760 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.686 -10.160 3.500 1.00 0.00 H new ATOM 1383 N GLY A 89 3.180 -7.544 4.977 1.00 0.00 N ATOM 1384 CA GLY A 89 3.408 -7.267 6.385 1.00 0.00 C ATOM 1385 C GLY A 89 4.132 -5.951 6.605 1.00 0.00 C ATOM 1386 O GLY A 89 5.284 -5.795 6.199 1.00 0.00 O ATOM 0 H GLY A 89 2.873 -6.741 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.452 -7.245 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.991 -8.077 6.822 1.00 0.00 H new ATOM 1390 N ALA A 90 3.455 -5.004 7.248 1.00 0.00 N ATOM 1391 CA ALA A 90 4.041 -3.695 7.521 1.00 0.00 C ATOM 1392 C ALA A 90 4.617 -3.633 8.928 1.00 0.00 C ATOM 1393 O ALA A 90 4.519 -2.609 9.605 1.00 0.00 O ATOM 1394 CB ALA A 90 3.001 -2.603 7.325 1.00 0.00 C ATOM 0 H ALA A 90 2.501 -5.118 7.590 1.00 0.00 H new ATOM 0 HA ALA A 90 4.858 -3.536 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.450 -1.632 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.640 -2.625 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.166 -2.769 8.006 1.00 0.00 H new ATOM 1400 N ASN A 91 5.226 -4.729 9.360 1.00 0.00 N ATOM 1401 CA ASN A 91 5.828 -4.794 10.685 1.00 0.00 C ATOM 1402 C ASN A 91 7.053 -3.887 10.752 1.00 0.00 C ATOM 1403 O ASN A 91 7.928 -3.958 9.891 1.00 0.00 O ATOM 1404 CB ASN A 91 6.221 -6.234 11.020 1.00 0.00 C ATOM 1405 CG ASN A 91 6.839 -6.360 12.399 1.00 0.00 C ATOM 1406 OD1 ASN A 91 6.209 -6.035 13.405 1.00 0.00 O ATOM 1407 ND2 ASN A 91 8.079 -6.833 12.452 1.00 0.00 N ATOM 0 H ASN A 91 5.316 -5.585 8.813 1.00 0.00 H new ATOM 0 HA ASN A 91 5.096 -4.452 11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.339 -6.871 10.961 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.928 -6.598 10.274 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.546 -6.939 13.352 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.564 -7.090 11.592 1.00 0.00 H new ATOM 1414 N PRO A 92 7.133 -3.015 11.775 1.00 0.00 N ATOM 1415 CA PRO A 92 8.260 -2.090 11.941 1.00 0.00 C ATOM 1416 C PRO A 92 9.611 -2.768 11.740 1.00 0.00 C ATOM 1417 O PRO A 92 10.218 -3.257 12.693 1.00 0.00 O ATOM 1418 CB PRO A 92 8.104 -1.620 13.383 1.00 0.00 C ATOM 1419 CG PRO A 92 6.635 -1.655 13.613 1.00 0.00 C ATOM 1420 CD PRO A 92 6.133 -2.853 12.850 1.00 0.00 C ATOM 0 HA PRO A 92 8.244 -1.286 11.206 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.633 -2.274 14.076 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.507 -0.617 13.522 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.407 -1.743 14.675 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.161 -0.739 13.260 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.076 -3.738 13.483 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.134 -2.684 12.448 1.00 0.00 H new ATOM 1428 N ALA A 93 10.081 -2.791 10.494 1.00 0.00 N ATOM 1429 CA ALA A 93 11.364 -3.408 10.171 1.00 0.00 C ATOM 1430 C ALA A 93 11.590 -3.467 8.662 1.00 0.00 C ATOM 1431 O ALA A 93 12.725 -3.367 8.196 1.00 0.00 O ATOM 1432 CB ALA A 93 11.449 -4.806 10.767 1.00 0.00 C ATOM 0 H ALA A 93 9.593 -2.390 9.693 1.00 0.00 H new ATOM 0 HA ALA A 93 12.147 -2.788 10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.412 -5.251 10.516 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.348 -4.746 11.851 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.648 -5.424 10.362 1.00 0.00 H new ATOM 1438 N ALA A 94 10.512 -3.637 7.901 1.00 0.00 N ATOM 1439 CA ALA A 94 10.619 -3.716 6.448 1.00 0.00 C ATOM 1440 C ALA A 94 9.816 -2.624 5.759 1.00 0.00 C ATOM 1441 O ALA A 94 10.306 -1.984 4.830 1.00 0.00 O ATOM 1442 CB ALA A 94 10.185 -5.089 5.955 1.00 0.00 C ATOM 0 H ALA A 94 9.562 -3.722 8.263 1.00 0.00 H new ATOM 0 HA ALA A 94 11.667 -3.563 6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.271 -5.130 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.823 -5.853 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.149 -5.269 6.244 1.00 0.00 H new ATOM 1448 N ILE A 95 8.590 -2.400 6.213 1.00 0.00 N ATOM 1449 CA ILE A 95 7.748 -1.368 5.628 1.00 0.00 C ATOM 1450 C ILE A 95 8.486 -0.028 5.546 1.00 0.00 C ATOM 1451 O ILE A 95 8.086 0.860 4.795 1.00 0.00 O ATOM 1452 CB ILE A 95 6.446 -1.194 6.437 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.609 -0.026 5.904 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.766 -0.990 7.910 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.303 -0.108 4.424 1.00 0.00 C ATOM 0 H ILE A 95 8.159 -2.916 6.980 1.00 0.00 H new ATOM 0 HA ILE A 95 7.497 -1.690 4.617 1.00 0.00 H new ATOM 0 HB ILE A 95 5.856 -2.104 6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.670 0.016 6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.138 0.906 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.839 -0.868 8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.307 -1.857 8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.381 -0.098 8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.708 0.755 4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.235 -0.117 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.745 -1.022 4.218 1.00 0.00 H new ATOM 1467 N LYS A 96 9.568 0.109 6.312 1.00 0.00 N ATOM 1468 CA LYS A 96 10.353 1.340 6.302 1.00 0.00 C ATOM 1469 C LYS A 96 11.478 1.256 5.277 1.00 0.00 C ATOM 1470 O LYS A 96 11.665 2.163 4.467 1.00 0.00 O ATOM 1471 CB LYS A 96 10.916 1.641 7.695 1.00 0.00 C ATOM 1472 CG LYS A 96 11.806 0.543 8.253 1.00 0.00 C ATOM 1473 CD LYS A 96 12.355 0.912 9.625 1.00 0.00 C ATOM 1474 CE LYS A 96 11.242 1.207 10.620 1.00 0.00 C ATOM 1475 NZ LYS A 96 10.371 0.021 10.856 1.00 0.00 N ATOM 0 H LYS A 96 9.918 -0.612 6.943 1.00 0.00 H new ATOM 0 HA LYS A 96 9.691 2.158 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.485 2.569 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.087 1.807 8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.239 -0.385 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.633 0.359 7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.971 0.096 10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.002 1.784 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.678 1.530 11.565 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.635 2.034 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.637 0.262 11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.920 -0.262 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.947 -0.766 11.218 1.00 0.00 H new ATOM 1489 N GLN A 97 12.223 0.156 5.321 1.00 0.00 N ATOM 1490 CA GLN A 97 13.330 -0.055 4.400 1.00 0.00 C ATOM 1491 C GLN A 97 12.813 -0.299 2.989 1.00 0.00 C ATOM 1492 O GLN A 97 13.461 0.059 2.005 1.00 0.00 O ATOM 1493 CB GLN A 97 14.177 -1.245 4.853 1.00 0.00 C ATOM 1494 CG GLN A 97 14.739 -1.097 6.258 1.00 0.00 C ATOM 1495 CD GLN A 97 15.543 -2.306 6.695 1.00 0.00 C ATOM 1496 OE1 GLN A 97 15.031 -3.423 6.741 1.00 0.00 O ATOM 1497 NE2 GLN A 97 16.812 -2.086 7.020 1.00 0.00 N ATOM 0 H GLN A 97 12.078 -0.603 5.987 1.00 0.00 H new ATOM 0 HA GLN A 97 13.948 0.843 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.570 -2.149 4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.002 -1.379 4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.371 -0.210 6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.919 -0.938 6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 97 17.196 -1.142 6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 97 17.403 -2.861 7.322 1.00 0.00 H new ATOM 1506 N ALA A 98 11.637 -0.911 2.901 1.00 0.00 N ATOM 1507 CA ALA A 98 11.027 -1.204 1.612 1.00 0.00 C ATOM 1508 C ALA A 98 10.689 0.079 0.863 1.00 0.00 C ATOM 1509 O ALA A 98 10.722 0.124 -0.366 1.00 0.00 O ATOM 1510 CB ALA A 98 9.778 -2.053 1.799 1.00 0.00 C ATOM 0 H ALA A 98 11.089 -1.213 3.707 1.00 0.00 H new ATOM 0 HA ALA A 98 11.747 -1.764 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.333 -2.264 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.045 -2.990 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.061 -1.513 2.417 1.00 0.00 H new ATOM 1516 N ILE A 99 10.362 1.123 1.617 1.00 0.00 N ATOM 1517 CA ILE A 99 10.013 2.412 1.035 1.00 0.00 C ATOM 1518 C ILE A 99 11.245 3.304 0.864 1.00 0.00 C ATOM 1519 O ILE A 99 11.169 4.369 0.252 1.00 0.00 O ATOM 1520 CB ILE A 99 8.973 3.147 1.905 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.770 2.240 2.163 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.533 4.438 1.231 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.704 2.879 3.028 1.00 0.00 C ATOM 0 H ILE A 99 10.332 1.100 2.636 1.00 0.00 H new ATOM 0 HA ILE A 99 9.586 2.211 0.052 1.00 0.00 H new ATOM 0 HB ILE A 99 9.431 3.399 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.329 1.955 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.113 1.323 2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.799 4.944 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.397 5.087 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.087 4.209 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.881 2.178 3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.129 3.139 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.333 3.781 2.541 1.00 0.00 H new ATOM 1535 N ALA A 100 12.378 2.867 1.407 1.00 0.00 N ATOM 1536 CA ALA A 100 13.615 3.632 1.312 1.00 0.00 C ATOM 1537 C ALA A 100 14.406 3.247 0.068 1.00 0.00 C ATOM 1538 O ALA A 100 14.523 4.032 -0.874 1.00 0.00 O ATOM 1539 CB ALA A 100 14.459 3.429 2.560 1.00 0.00 C ATOM 0 H ALA A 100 12.464 1.988 1.917 1.00 0.00 H new ATOM 0 HA ALA A 100 13.354 4.687 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.380 4.006 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.901 3.763 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.702 2.372 2.667 1.00 0.00 H new ATOM 1545 N ALA A 101 14.950 2.033 0.072 1.00 0.00 N ATOM 1546 CA ALA A 101 15.733 1.541 -1.056 1.00 0.00 C ATOM 1547 C ALA A 101 14.969 1.693 -2.366 1.00 0.00 C ATOM 1548 O ALA A 101 15.568 1.852 -3.430 1.00 0.00 O ATOM 1549 CB ALA A 101 16.119 0.086 -0.834 1.00 0.00 C ATOM 0 H ALA A 101 14.863 1.372 0.844 1.00 0.00 H new ATOM 0 HA ALA A 101 16.640 2.141 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.703 -0.269 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.713 0.002 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.217 -0.519 -0.736 1.00 0.00 H new ATOM 1555 N ASN A 102 13.643 1.643 -2.284 1.00 0.00 N ATOM 1556 CA ASN A 102 12.799 1.772 -3.454 1.00 0.00 C ATOM 1557 C ASN A 102 12.587 3.238 -3.817 1.00 0.00 C ATOM 1558 O ASN A 102 12.796 3.641 -4.961 1.00 0.00 O ATOM 1559 CB ASN A 102 11.459 1.094 -3.186 1.00 0.00 C ATOM 1560 CG ASN A 102 11.562 -0.420 -3.027 1.00 0.00 C ATOM 1561 OD1 ASN A 102 10.557 -1.089 -2.790 1.00 0.00 O ATOM 1562 ND2 ASN A 102 12.766 -0.974 -3.158 1.00 0.00 N ATOM 0 H ASN A 102 13.133 1.513 -1.411 1.00 0.00 H new ATOM 0 HA ASN A 102 13.291 1.288 -4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.022 1.517 -2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.777 1.319 -4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.876 -1.983 -3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.578 -0.389 -3.355 1.00 0.00 H new ATOM 1569 N ALA A 103 12.169 4.031 -2.836 1.00 0.00 N ATOM 1570 CA ALA A 103 11.930 5.452 -3.054 1.00 0.00 C ATOM 1571 C ALA A 103 13.181 6.273 -2.759 1.00 0.00 C ATOM 1572 O ALA A 103 13.047 7.490 -2.515 1.00 0.00 O ATOM 1573 CB ALA A 103 10.766 5.928 -2.195 1.00 0.00 C ATOM 1574 OXT ALA A 103 14.286 5.690 -2.775 1.00 0.00 O ATOM 0 H ALA A 103 11.989 3.714 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 103 11.675 5.596 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.598 6.991 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.867 5.371 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.999 5.763 -1.143 1.00 0.00 H new TER 1580 ALA A 103