USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 934 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 54 GLN : amide:sc= -5.65! C(o=-6.1!,f=-5.3!) USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= -0.49 USER MOD Set 2.1: A 22 HIS : no HE2:sc= -1.26 X(o=-1.4,f=-1.3) USER MOD Set 2.2: A 37 THR OG1 : rot -102:sc= -0.153 USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.348) USER MOD Single : A 23 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.7!) USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.16 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 43 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.76) USER MOD Single : A 46 GLN : amide:sc= -0.0767 X(o=-0.077,f=0) USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 51 MET CE :methyl -138:sc= -1.97! (180deg=-3.05!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 130:sc= -0.938 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -45:sc= 0.917 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 12:sc= 0.276 USER MOD Single : A 65 GLN : amide:sc= -2.61! C(o=-2.6!,f=-3!) USER MOD Single : A 66 ASN : amide:sc= -0.133 K(o=-0.13,f=0.55) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 76 SER OG : rot 23:sc= 0.105 USER MOD Single : A 81 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.0056) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 100 GLN : amide:sc= -5.11! C(o=-5.1!,f=-4.1!) USER MOD Single : A 102 MET CE :methyl -110:sc= -0.0203 (180deg=-2.3!) USER MOD Single : A 104 SER OG : rot 80:sc= 0.268 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 111 THR OG1 : rot 171:sc= 1.02 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 115 SER OG : rot -4:sc= 0.557! USER MOD Single : A 118 SER OG : rot 6:sc= 1.12 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.867 27.534 13.500 1.00 0.00 N ATOM 2 CA GLY A 1 -28.400 27.423 14.869 1.00 0.00 C ATOM 3 C GLY A 1 -27.703 26.104 15.139 1.00 0.00 C ATOM 4 O GLY A 1 -28.331 25.142 15.582 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.336 28.453 13.367 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.058 27.460 12.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.542 26.769 13.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.715 28.243 15.083 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.246 27.529 15.548 1.00 0.00 H new ATOM 8 N SER A 2 -26.402 26.057 14.869 1.00 0.00 N ATOM 9 CA SER A 2 -25.621 24.844 15.080 1.00 0.00 C ATOM 10 C SER A 2 -25.438 24.568 16.570 1.00 0.00 C ATOM 11 O SER A 2 -24.677 25.255 17.250 1.00 0.00 O ATOM 12 CB SER A 2 -24.256 24.967 14.401 1.00 0.00 C ATOM 13 OG SER A 2 -23.558 23.734 14.431 1.00 0.00 O ATOM 0 H SER A 2 -25.867 26.845 14.504 1.00 0.00 H new ATOM 0 HA SER A 2 -26.165 24.009 14.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.388 25.289 13.368 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.666 25.735 14.901 1.00 0.00 H new ATOM 0 HG SER A 2 -22.689 23.839 13.989 1.00 0.00 H new ATOM 19 N SER A 3 -26.142 23.557 17.068 1.00 0.00 N ATOM 20 CA SER A 3 -26.061 23.191 18.478 1.00 0.00 C ATOM 21 C SER A 3 -24.969 22.150 18.707 1.00 0.00 C ATOM 22 O SER A 3 -24.078 22.341 19.533 1.00 0.00 O ATOM 23 CB SER A 3 -27.407 22.650 18.964 1.00 0.00 C ATOM 24 OG SER A 3 -28.322 23.705 19.206 1.00 0.00 O ATOM 0 H SER A 3 -26.775 22.977 16.517 1.00 0.00 H new ATOM 0 HA SER A 3 -25.810 24.086 19.047 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.820 21.970 18.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.262 22.073 19.877 1.00 0.00 H new ATOM 0 HG SER A 3 -29.175 23.334 19.514 1.00 0.00 H new ATOM 30 N GLY A 4 -25.046 21.048 17.968 1.00 0.00 N ATOM 31 CA GLY A 4 -24.060 19.992 18.104 1.00 0.00 C ATOM 32 C GLY A 4 -24.141 18.974 16.984 1.00 0.00 C ATOM 33 O GLY A 4 -25.025 18.117 16.978 1.00 0.00 O ATOM 0 H GLY A 4 -25.774 20.867 17.277 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.062 20.431 18.120 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.202 19.488 19.060 1.00 0.00 H new ATOM 37 N SER A 5 -23.217 19.069 16.033 1.00 0.00 N ATOM 38 CA SER A 5 -23.191 18.152 14.899 1.00 0.00 C ATOM 39 C SER A 5 -22.826 16.741 15.350 1.00 0.00 C ATOM 40 O SER A 5 -22.265 16.547 16.428 1.00 0.00 O ATOM 41 CB SER A 5 -22.193 18.638 13.846 1.00 0.00 C ATOM 42 OG SER A 5 -22.414 20.000 13.524 1.00 0.00 O ATOM 0 H SER A 5 -22.477 19.771 16.025 1.00 0.00 H new ATOM 0 HA SER A 5 -24.188 18.128 14.460 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.176 18.509 14.217 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.283 18.029 12.946 1.00 0.00 H new ATOM 0 HG SER A 5 -21.762 20.287 12.850 1.00 0.00 H new ATOM 48 N SER A 6 -23.150 15.758 14.516 1.00 0.00 N ATOM 49 CA SER A 6 -22.860 14.363 14.829 1.00 0.00 C ATOM 50 C SER A 6 -22.220 13.660 13.636 1.00 0.00 C ATOM 51 O SER A 6 -21.192 12.998 13.769 1.00 0.00 O ATOM 52 CB SER A 6 -24.141 13.634 15.237 1.00 0.00 C ATOM 53 OG SER A 6 -23.954 12.229 15.225 1.00 0.00 O ATOM 0 H SER A 6 -23.613 15.901 13.619 1.00 0.00 H new ATOM 0 HA SER A 6 -22.157 14.342 15.661 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.444 13.955 16.233 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.949 13.902 14.556 1.00 0.00 H new ATOM 0 HG SER A 6 -24.787 11.786 15.491 1.00 0.00 H new ATOM 59 N GLY A 7 -22.837 13.810 12.467 1.00 0.00 N ATOM 60 CA GLY A 7 -22.314 13.185 11.267 1.00 0.00 C ATOM 61 C GLY A 7 -23.218 13.387 10.067 1.00 0.00 C ATOM 62 O GLY A 7 -24.191 12.656 9.885 1.00 0.00 O ATOM 0 H GLY A 7 -23.689 14.353 12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.328 13.594 11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.184 12.117 11.444 1.00 0.00 H new ATOM 66 N ARG A 8 -22.897 14.382 9.247 1.00 0.00 N ATOM 67 CA ARG A 8 -23.689 14.680 8.060 1.00 0.00 C ATOM 68 C ARG A 8 -22.918 14.331 6.790 1.00 0.00 C ATOM 69 O ARG A 8 -23.364 13.512 5.988 1.00 0.00 O ATOM 70 CB ARG A 8 -24.082 16.158 8.041 1.00 0.00 C ATOM 71 CG ARG A 8 -24.906 16.585 9.244 1.00 0.00 C ATOM 72 CD ARG A 8 -25.190 18.079 9.224 1.00 0.00 C ATOM 73 NE ARG A 8 -23.964 18.870 9.293 1.00 0.00 N ATOM 74 CZ ARG A 8 -23.948 20.189 9.443 1.00 0.00 C ATOM 75 NH1 ARG A 8 -25.087 20.862 9.541 1.00 0.00 N ATOM 76 NH2 ARG A 8 -22.792 20.838 9.497 1.00 0.00 N ATOM 0 H ARG A 8 -22.094 14.996 9.383 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.593 14.071 8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.178 16.765 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.648 16.363 7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.847 16.035 9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.375 16.327 10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.734 18.332 8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.835 18.337 10.064 1.00 0.00 H new ATOM 0 HE ARG A 8 -23.071 18.382 9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.977 20.366 9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -25.072 21.875 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.914 20.324 9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.781 21.851 9.612 1.00 0.00 H new ATOM 90 N GLN A 9 -21.760 14.960 6.616 1.00 0.00 N ATOM 91 CA GLN A 9 -20.928 14.716 5.443 1.00 0.00 C ATOM 92 C GLN A 9 -20.458 13.266 5.401 1.00 0.00 C ATOM 93 O GLN A 9 -19.933 12.802 4.389 1.00 0.00 O ATOM 94 CB GLN A 9 -19.722 15.656 5.443 1.00 0.00 C ATOM 95 CG GLN A 9 -18.790 15.451 4.259 1.00 0.00 C ATOM 96 CD GLN A 9 -17.656 16.456 4.228 1.00 0.00 C ATOM 97 OE1 GLN A 9 -17.098 16.812 5.267 1.00 0.00 O ATOM 98 NE2 GLN A 9 -17.307 16.919 3.034 1.00 0.00 N ATOM 0 H GLN A 9 -21.377 15.641 7.271 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.530 14.909 4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.076 16.687 5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.160 15.513 6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.376 14.443 4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.362 15.526 3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -17.796 16.597 2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -16.549 17.597 2.951 1.00 0.00 H new ATOM 107 N VAL A 10 -20.650 12.554 6.507 1.00 0.00 N ATOM 108 CA VAL A 10 -20.246 11.156 6.596 1.00 0.00 C ATOM 109 C VAL A 10 -20.645 10.388 5.342 1.00 0.00 C ATOM 110 O VAL A 10 -19.793 9.990 4.548 1.00 0.00 O ATOM 111 CB VAL A 10 -20.869 10.469 7.826 1.00 0.00 C ATOM 112 CG1 VAL A 10 -20.243 9.101 8.048 1.00 0.00 C ATOM 113 CG2 VAL A 10 -20.711 11.344 9.061 1.00 0.00 C ATOM 0 H VAL A 10 -21.083 12.923 7.354 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.161 11.146 6.694 1.00 0.00 H new ATOM 0 HB VAL A 10 -21.934 10.328 7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -20.696 8.631 8.921 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -20.413 8.477 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.171 9.214 8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -21.157 10.844 9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.652 11.518 9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -21.211 12.298 8.897 1.00 0.00 H new ATOM 123 N GLN A 11 -21.947 10.183 5.170 1.00 0.00 N ATOM 124 CA GLN A 11 -22.460 9.461 4.011 1.00 0.00 C ATOM 125 C GLN A 11 -22.603 10.391 2.810 1.00 0.00 C ATOM 126 O GLN A 11 -23.402 10.138 1.908 1.00 0.00 O ATOM 127 CB GLN A 11 -23.809 8.820 4.339 1.00 0.00 C ATOM 128 CG GLN A 11 -23.783 7.950 5.585 1.00 0.00 C ATOM 129 CD GLN A 11 -24.891 6.915 5.597 1.00 0.00 C ATOM 130 OE1 GLN A 11 -26.066 7.245 5.432 1.00 0.00 O ATOM 131 NE2 GLN A 11 -24.522 5.655 5.794 1.00 0.00 N ATOM 0 H GLN A 11 -22.666 10.506 5.818 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.746 8.677 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.553 9.606 4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.130 8.216 3.491 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.819 7.446 5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.873 8.583 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -23.537 5.427 5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.224 4.915 5.813 1.00 0.00 H new ATOM 140 N LYS A 12 -21.824 11.467 2.806 1.00 0.00 N ATOM 141 CA LYS A 12 -21.862 12.435 1.716 1.00 0.00 C ATOM 142 C LYS A 12 -20.501 12.546 1.038 1.00 0.00 C ATOM 143 O LYS A 12 -20.405 12.947 -0.121 1.00 0.00 O ATOM 144 CB LYS A 12 -22.296 13.806 2.239 1.00 0.00 C ATOM 145 CG LYS A 12 -22.996 14.662 1.197 1.00 0.00 C ATOM 146 CD LYS A 12 -23.140 16.101 1.663 1.00 0.00 C ATOM 147 CE LYS A 12 -24.433 16.310 2.435 1.00 0.00 C ATOM 148 NZ LYS A 12 -24.259 16.050 3.891 1.00 0.00 N ATOM 0 H LYS A 12 -21.158 11.691 3.546 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.587 12.087 0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -22.963 13.666 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.419 14.340 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.432 14.635 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.981 14.247 0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.292 16.367 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.118 16.768 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.782 17.332 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -25.204 15.649 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -24.930 16.633 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.438 15.045 4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.287 16.291 4.173 1.00 0.00 H new ATOM 162 N GLU A 13 -19.450 12.186 1.769 1.00 0.00 N ATOM 163 CA GLU A 13 -18.094 12.244 1.236 1.00 0.00 C ATOM 164 C GLU A 13 -17.467 10.854 1.188 1.00 0.00 C ATOM 165 O GLU A 13 -16.771 10.507 0.233 1.00 0.00 O ATOM 166 CB GLU A 13 -17.228 13.177 2.086 1.00 0.00 C ATOM 167 CG GLU A 13 -15.743 12.865 2.011 1.00 0.00 C ATOM 168 CD GLU A 13 -15.161 13.122 0.635 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.771 12.679 -0.360 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.095 13.768 0.553 1.00 0.00 O ATOM 0 H GLU A 13 -19.512 11.852 2.731 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.147 12.634 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.391 14.205 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.552 13.114 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.211 13.470 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.581 11.821 2.281 1.00 0.00 H new ATOM 177 N LEU A 14 -17.719 10.062 2.224 1.00 0.00 N ATOM 178 CA LEU A 14 -17.180 8.708 2.302 1.00 0.00 C ATOM 179 C LEU A 14 -17.102 8.073 0.918 1.00 0.00 C ATOM 180 O LEU A 14 -16.015 7.860 0.382 1.00 0.00 O ATOM 181 CB LEU A 14 -18.045 7.846 3.223 1.00 0.00 C ATOM 182 CG LEU A 14 -17.658 6.370 3.319 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.610 6.162 4.401 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.886 5.513 3.592 1.00 0.00 C ATOM 0 H LEU A 14 -18.293 10.334 3.022 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.172 8.768 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.014 8.275 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.078 7.909 2.882 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.231 6.064 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.347 5.106 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.721 6.746 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.010 6.486 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.592 4.466 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.343 5.821 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.604 5.638 2.782 1.00 0.00 H new ATOM 196 N GLY A 15 -18.262 7.775 0.342 1.00 0.00 N ATOM 197 CA GLY A 15 -18.303 7.169 -0.976 1.00 0.00 C ATOM 198 C GLY A 15 -17.877 8.130 -2.069 1.00 0.00 C ATOM 199 O GLY A 15 -17.160 7.750 -2.994 1.00 0.00 O ATOM 0 H GLY A 15 -19.175 7.943 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.652 6.295 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.314 6.817 -1.180 1.00 0.00 H new ATOM 203 N ASP A 16 -18.322 9.377 -1.964 1.00 0.00 N ATOM 204 CA ASP A 16 -17.983 10.395 -2.951 1.00 0.00 C ATOM 205 C ASP A 16 -16.504 10.328 -3.316 1.00 0.00 C ATOM 206 O ASP A 16 -16.145 9.954 -4.432 1.00 0.00 O ATOM 207 CB ASP A 16 -18.328 11.787 -2.419 1.00 0.00 C ATOM 208 CG ASP A 16 -18.209 12.860 -3.483 1.00 0.00 C ATOM 209 OD1 ASP A 16 -19.199 13.087 -4.211 1.00 0.00 O ATOM 210 OD2 ASP A 16 -17.127 13.474 -3.589 1.00 0.00 O ATOM 0 H ASP A 16 -18.918 9.707 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.569 10.203 -3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.345 11.781 -2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.666 12.029 -1.587 1.00 0.00 H new ATOM 215 N VAL A 17 -15.648 10.695 -2.366 1.00 0.00 N ATOM 216 CA VAL A 17 -14.207 10.676 -2.587 1.00 0.00 C ATOM 217 C VAL A 17 -13.760 9.347 -3.185 1.00 0.00 C ATOM 218 O VAL A 17 -14.197 8.280 -2.752 1.00 0.00 O ATOM 219 CB VAL A 17 -13.435 10.922 -1.277 1.00 0.00 C ATOM 220 CG1 VAL A 17 -13.779 9.858 -0.246 1.00 0.00 C ATOM 221 CG2 VAL A 17 -11.937 10.957 -1.540 1.00 0.00 C ATOM 0 H VAL A 17 -15.928 11.009 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.984 11.480 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.733 11.891 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.224 10.049 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.848 9.887 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.512 8.875 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.407 11.132 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.620 10.004 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.709 11.760 -2.241 1.00 0.00 H new ATOM 231 N LEU A 18 -12.886 9.418 -4.183 1.00 0.00 N ATOM 232 CA LEU A 18 -12.377 8.220 -4.842 1.00 0.00 C ATOM 233 C LEU A 18 -10.975 7.880 -4.347 1.00 0.00 C ATOM 234 O LEU A 18 -10.139 8.764 -4.163 1.00 0.00 O ATOM 235 CB LEU A 18 -12.361 8.416 -6.359 1.00 0.00 C ATOM 236 CG LEU A 18 -12.317 7.140 -7.200 1.00 0.00 C ATOM 237 CD1 LEU A 18 -12.990 7.364 -8.545 1.00 0.00 C ATOM 238 CD2 LEU A 18 -10.880 6.676 -7.391 1.00 0.00 C ATOM 0 H LEU A 18 -12.515 10.293 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.040 7.391 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.248 8.983 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.496 9.027 -6.617 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.862 6.359 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.949 6.445 -9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.031 7.648 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.474 8.159 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.868 5.767 -7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.311 7.454 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.431 6.474 -6.419 1.00 0.00 H new ATOM 250 N VAL A 19 -10.725 6.591 -4.135 1.00 0.00 N ATOM 251 CA VAL A 19 -9.423 6.133 -3.665 1.00 0.00 C ATOM 252 C VAL A 19 -8.669 5.396 -4.766 1.00 0.00 C ATOM 253 O VAL A 19 -9.175 4.433 -5.341 1.00 0.00 O ATOM 254 CB VAL A 19 -9.562 5.205 -2.443 1.00 0.00 C ATOM 255 CG1 VAL A 19 -8.195 4.729 -1.976 1.00 0.00 C ATOM 256 CG2 VAL A 19 -10.302 5.914 -1.318 1.00 0.00 C ATOM 0 H VAL A 19 -11.407 5.846 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.861 7.021 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.144 4.331 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.313 4.075 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.706 4.182 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.585 5.589 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.391 5.244 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.749 6.806 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.297 6.200 -1.660 1.00 0.00 H new ATOM 266 N ARG A 20 -7.455 5.855 -5.054 1.00 0.00 N ATOM 267 CA ARG A 20 -6.631 5.239 -6.087 1.00 0.00 C ATOM 268 C ARG A 20 -5.463 4.477 -5.468 1.00 0.00 C ATOM 269 O ARG A 20 -4.564 5.073 -4.874 1.00 0.00 O ATOM 270 CB ARG A 20 -6.106 6.304 -7.052 1.00 0.00 C ATOM 271 CG ARG A 20 -7.077 6.645 -8.170 1.00 0.00 C ATOM 272 CD ARG A 20 -6.361 7.266 -9.359 1.00 0.00 C ATOM 273 NE ARG A 20 -7.218 8.196 -10.090 1.00 0.00 N ATOM 274 CZ ARG A 20 -6.976 8.598 -11.332 1.00 0.00 C ATOM 275 NH1 ARG A 20 -5.908 8.153 -11.980 1.00 0.00 N ATOM 276 NH2 ARG A 20 -7.803 9.446 -11.930 1.00 0.00 N ATOM 0 H ARG A 20 -7.021 6.651 -4.587 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.251 4.532 -6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.879 7.210 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.170 5.956 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.598 5.742 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.834 7.336 -7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.470 7.790 -9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.025 6.477 -10.032 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.048 8.557 -9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.270 7.500 -11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.724 8.463 -12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.626 9.790 -11.435 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.616 9.754 -12.884 1.00 0.00 H new ATOM 290 N LEU A 21 -5.484 3.157 -5.611 1.00 0.00 N ATOM 291 CA LEU A 21 -4.426 2.312 -5.066 1.00 0.00 C ATOM 292 C LEU A 21 -3.362 2.023 -6.119 1.00 0.00 C ATOM 293 O LEU A 21 -3.678 1.655 -7.251 1.00 0.00 O ATOM 294 CB LEU A 21 -5.014 0.999 -4.544 1.00 0.00 C ATOM 295 CG LEU A 21 -4.011 -0.006 -3.977 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.313 0.569 -2.753 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.705 -1.315 -3.631 1.00 0.00 C ATOM 0 H LEU A 21 -6.221 2.648 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.957 2.847 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.742 1.233 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.559 0.519 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.258 -0.207 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.603 -0.160 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.782 1.480 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.053 0.800 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.976 -2.018 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.480 -1.130 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.157 -1.735 -4.529 1.00 0.00 H new ATOM 309 N HIS A 22 -2.099 2.191 -5.739 1.00 0.00 N ATOM 310 CA HIS A 22 -0.988 1.946 -6.651 1.00 0.00 C ATOM 311 C HIS A 22 -0.367 0.576 -6.395 1.00 0.00 C ATOM 312 O HIS A 22 -0.312 0.112 -5.257 1.00 0.00 O ATOM 313 CB HIS A 22 0.074 3.036 -6.499 1.00 0.00 C ATOM 314 CG HIS A 22 -0.471 4.425 -6.630 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.170 5.421 -7.336 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.604 4.981 -6.142 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.544 6.531 -7.274 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.626 6.290 -6.556 1.00 0.00 N ATOM 0 H HIS A 22 -1.820 2.496 -4.806 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.375 1.966 -7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.552 2.933 -5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.848 2.886 -7.252 1.00 0.00 H new ATOM 0 HD1 HIS A 22 1.057 5.317 -7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.352 4.487 -5.539 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.287 7.474 -7.732 1.00 0.00 H new ATOM 327 N ASN A 23 0.098 -0.066 -7.461 1.00 0.00 N ATOM 328 CA ASN A 23 0.713 -1.384 -7.352 1.00 0.00 C ATOM 329 C ASN A 23 1.572 -1.481 -6.095 1.00 0.00 C ATOM 330 O ASN A 23 2.505 -0.704 -5.890 1.00 0.00 O ATOM 331 CB ASN A 23 1.564 -1.677 -8.589 1.00 0.00 C ATOM 332 CG ASN A 23 2.325 -2.984 -8.471 1.00 0.00 C ATOM 333 OD1 ASN A 23 1.874 -3.920 -7.812 1.00 0.00 O ATOM 334 ND2 ASN A 23 3.486 -3.052 -9.112 1.00 0.00 N ATOM 0 H ASN A 23 0.061 0.305 -8.411 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.084 -2.125 -7.284 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.921 -1.712 -9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.270 -0.861 -8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.043 -3.906 -9.070 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.821 -2.251 -9.647 1.00 0.00 H new ATOM 341 N PRO A 24 1.252 -2.457 -5.233 1.00 0.00 N ATOM 342 CA PRO A 24 1.983 -2.680 -3.982 1.00 0.00 C ATOM 343 C PRO A 24 3.390 -3.217 -4.220 1.00 0.00 C ATOM 344 O PRO A 24 3.608 -4.429 -4.232 1.00 0.00 O ATOM 345 CB PRO A 24 1.129 -3.720 -3.252 1.00 0.00 C ATOM 346 CG PRO A 24 0.400 -4.438 -4.335 1.00 0.00 C ATOM 347 CD PRO A 24 0.152 -3.420 -5.413 1.00 0.00 C ATOM 0 HA PRO A 24 2.124 -1.755 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.748 -4.403 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.437 -3.246 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.989 -5.273 -4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.538 -4.852 -3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.172 -3.872 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.822 -2.944 -5.299 1.00 0.00 H new ATOM 355 N VAL A 25 4.342 -2.309 -4.408 1.00 0.00 N ATOM 356 CA VAL A 25 5.728 -2.692 -4.644 1.00 0.00 C ATOM 357 C VAL A 25 6.206 -3.697 -3.603 1.00 0.00 C ATOM 358 O VAL A 25 6.216 -3.410 -2.406 1.00 0.00 O ATOM 359 CB VAL A 25 6.661 -1.466 -4.623 1.00 0.00 C ATOM 360 CG1 VAL A 25 8.099 -1.885 -4.886 1.00 0.00 C ATOM 361 CG2 VAL A 25 6.204 -0.432 -5.642 1.00 0.00 C ATOM 0 H VAL A 25 4.178 -1.302 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 25 5.765 -3.151 -5.632 1.00 0.00 H new ATOM 0 HB VAL A 25 6.615 -1.013 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.743 -1.006 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.420 -2.587 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.166 -2.363 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.874 0.427 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.220 -0.872 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.190 -0.110 -5.404 1.00 0.00 H new ATOM 371 N VAL A 26 6.602 -4.879 -4.066 1.00 0.00 N ATOM 372 CA VAL A 26 7.082 -5.928 -3.175 1.00 0.00 C ATOM 373 C VAL A 26 8.542 -5.703 -2.799 1.00 0.00 C ATOM 374 O VAL A 26 9.446 -5.956 -3.597 1.00 0.00 O ATOM 375 CB VAL A 26 6.937 -7.320 -3.818 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.389 -7.288 -5.270 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.724 -8.355 -3.028 1.00 0.00 C ATOM 0 H VAL A 26 6.600 -5.134 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 26 6.468 -5.886 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 26 5.885 -7.603 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.279 -8.280 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.778 -6.577 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.435 -6.984 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.611 -9.333 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.778 -8.079 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.348 -8.396 -2.006 1.00 0.00 H new ATOM 387 N LEU A 27 8.767 -5.227 -1.580 1.00 0.00 N ATOM 388 CA LEU A 27 10.119 -4.968 -1.096 1.00 0.00 C ATOM 389 C LEU A 27 10.797 -6.262 -0.657 1.00 0.00 C ATOM 390 O LEU A 27 11.926 -6.551 -1.057 1.00 0.00 O ATOM 391 CB LEU A 27 10.084 -3.977 0.068 1.00 0.00 C ATOM 392 CG LEU A 27 9.429 -2.625 -0.220 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.347 -1.791 1.048 1.00 0.00 C ATOM 394 CD2 LEU A 27 10.197 -1.881 -1.302 1.00 0.00 C ATOM 0 H LEU A 27 8.031 -5.012 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 27 10.695 -4.537 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.557 -4.443 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.107 -3.799 0.398 1.00 0.00 H new ATOM 0 HG LEU A 27 8.415 -2.803 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.878 -0.833 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.753 -2.320 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.351 -1.621 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.717 -0.921 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.222 -1.714 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.203 -2.474 -2.217 1.00 0.00 H new ATOM 406 N THR A 28 10.101 -7.040 0.166 1.00 0.00 N ATOM 407 CA THR A 28 10.635 -8.303 0.658 1.00 0.00 C ATOM 408 C THR A 28 9.550 -9.373 0.717 1.00 0.00 C ATOM 409 O THR A 28 8.355 -9.078 0.746 1.00 0.00 O ATOM 410 CB THR A 28 11.257 -8.143 2.058 1.00 0.00 C ATOM 411 OG1 THR A 28 10.545 -7.146 2.800 1.00 0.00 O ATOM 412 CG2 THR A 28 12.725 -7.754 1.956 1.00 0.00 C ATOM 0 H THR A 28 9.165 -6.817 0.506 1.00 0.00 H new ATOM 0 HA THR A 28 11.410 -8.612 -0.043 1.00 0.00 H new ATOM 0 HB THR A 28 11.185 -9.100 2.575 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.599 -7.163 2.546 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.143 -7.647 2.957 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.270 -8.528 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.814 -6.808 1.422 1.00 0.00 H new ATOM 420 N PRO A 29 9.973 -10.645 0.736 1.00 0.00 N ATOM 421 CA PRO A 29 9.053 -11.785 0.792 1.00 0.00 C ATOM 422 C PRO A 29 8.350 -11.896 2.141 1.00 0.00 C ATOM 423 O PRO A 29 7.562 -12.814 2.369 1.00 0.00 O ATOM 424 CB PRO A 29 9.968 -12.991 0.566 1.00 0.00 C ATOM 425 CG PRO A 29 11.312 -12.538 1.020 1.00 0.00 C ATOM 426 CD PRO A 29 11.383 -11.070 0.704 1.00 0.00 C ATOM 0 HA PRO A 29 8.251 -11.698 0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.629 -13.857 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.983 -13.285 -0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.443 -12.714 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.102 -13.086 0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.982 -10.530 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.835 -10.890 -0.272 1.00 0.00 H new ATOM 434 N THR A 30 8.639 -10.954 3.034 1.00 0.00 N ATOM 435 CA THR A 30 8.036 -10.946 4.360 1.00 0.00 C ATOM 436 C THR A 30 7.305 -9.635 4.624 1.00 0.00 C ATOM 437 O THR A 30 6.455 -9.552 5.511 1.00 0.00 O ATOM 438 CB THR A 30 9.092 -11.163 5.460 1.00 0.00 C ATOM 439 OG1 THR A 30 10.160 -10.221 5.305 1.00 0.00 O ATOM 440 CG2 THR A 30 9.647 -12.578 5.406 1.00 0.00 C ATOM 0 H THR A 30 9.288 -10.186 2.862 1.00 0.00 H new ATOM 0 HA THR A 30 7.321 -11.769 4.386 1.00 0.00 H new ATOM 0 HB THR A 30 8.613 -11.014 6.428 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.827 -10.364 6.009 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.391 -12.707 6.192 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.837 -13.292 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.112 -12.750 4.435 1.00 0.00 H new ATOM 448 N THR A 31 7.641 -8.609 3.848 1.00 0.00 N ATOM 449 CA THR A 31 7.018 -7.300 3.999 1.00 0.00 C ATOM 450 C THR A 31 6.809 -6.631 2.645 1.00 0.00 C ATOM 451 O THR A 31 7.641 -6.753 1.746 1.00 0.00 O ATOM 452 CB THR A 31 7.865 -6.373 4.891 1.00 0.00 C ATOM 453 OG1 THR A 31 8.300 -7.080 6.057 1.00 0.00 O ATOM 454 CG2 THR A 31 7.069 -5.144 5.304 1.00 0.00 C ATOM 0 H THR A 31 8.341 -8.660 3.108 1.00 0.00 H new ATOM 0 HA THR A 31 6.051 -7.464 4.474 1.00 0.00 H new ATOM 0 HB THR A 31 8.734 -6.048 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.839 -6.485 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.688 -4.504 5.933 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.764 -4.592 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.184 -5.454 5.860 1.00 0.00 H new ATOM 462 N VAL A 32 5.693 -5.924 2.505 1.00 0.00 N ATOM 463 CA VAL A 32 5.375 -5.234 1.260 1.00 0.00 C ATOM 464 C VAL A 32 4.903 -3.809 1.527 1.00 0.00 C ATOM 465 O VAL A 32 4.170 -3.557 2.484 1.00 0.00 O ATOM 466 CB VAL A 32 4.290 -5.982 0.464 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.090 -5.341 -0.900 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.653 -7.453 0.323 1.00 0.00 C ATOM 0 H VAL A 32 4.993 -5.814 3.239 1.00 0.00 H new ATOM 0 HA VAL A 32 6.292 -5.206 0.671 1.00 0.00 H new ATOM 0 HB VAL A 32 3.350 -5.913 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.319 -5.884 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.782 -4.303 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.025 -5.376 -1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.876 -7.967 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.604 -7.544 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.740 -7.903 1.312 1.00 0.00 H new ATOM 478 N GLN A 33 5.326 -2.881 0.675 1.00 0.00 N ATOM 479 CA GLN A 33 4.946 -1.481 0.819 1.00 0.00 C ATOM 480 C GLN A 33 3.633 -1.197 0.096 1.00 0.00 C ATOM 481 O GLN A 33 3.471 -1.538 -1.076 1.00 0.00 O ATOM 482 CB GLN A 33 6.049 -0.572 0.274 1.00 0.00 C ATOM 483 CG GLN A 33 6.123 0.778 0.968 1.00 0.00 C ATOM 484 CD GLN A 33 6.717 1.857 0.084 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.654 1.607 -0.675 1.00 0.00 O ATOM 486 NE2 GLN A 33 6.174 3.065 0.178 1.00 0.00 N ATOM 0 H GLN A 33 5.932 -3.074 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 33 4.808 -1.275 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.009 -1.078 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.885 -0.415 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.122 1.078 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.723 0.684 1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.399 3.227 0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.532 3.831 -0.392 1.00 0.00 H new ATOM 495 N VAL A 34 2.698 -0.570 0.803 1.00 0.00 N ATOM 496 CA VAL A 34 1.399 -0.238 0.229 1.00 0.00 C ATOM 497 C VAL A 34 1.213 1.271 0.126 1.00 0.00 C ATOM 498 O VAL A 34 1.482 2.008 1.076 1.00 0.00 O ATOM 499 CB VAL A 34 0.249 -0.831 1.063 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.086 -0.608 0.368 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.485 -2.312 1.319 1.00 0.00 C ATOM 0 H VAL A 34 2.816 -0.282 1.774 1.00 0.00 H new ATOM 0 HA VAL A 34 1.374 -0.673 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 34 0.220 -0.319 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.887 -1.034 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.256 0.461 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.073 -1.091 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.338 -2.715 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.542 -2.841 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.420 -2.443 1.863 1.00 0.00 H new ATOM 511 N THR A 35 0.749 1.728 -1.033 1.00 0.00 N ATOM 512 CA THR A 35 0.527 3.150 -1.261 1.00 0.00 C ATOM 513 C THR A 35 -0.838 3.399 -1.893 1.00 0.00 C ATOM 514 O THR A 35 -1.369 2.544 -2.601 1.00 0.00 O ATOM 515 CB THR A 35 1.617 3.751 -2.168 1.00 0.00 C ATOM 516 OG1 THR A 35 2.912 3.333 -1.721 1.00 0.00 O ATOM 517 CG2 THR A 35 1.542 5.270 -2.171 1.00 0.00 C ATOM 0 H THR A 35 0.520 1.133 -1.829 1.00 0.00 H new ATOM 0 HA THR A 35 0.567 3.636 -0.286 1.00 0.00 H new ATOM 0 HB THR A 35 1.451 3.393 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.599 3.718 -2.304 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.322 5.671 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.566 5.585 -2.540 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.685 5.643 -1.157 1.00 0.00 H new ATOM 525 N TRP A 36 -1.400 4.574 -1.632 1.00 0.00 N ATOM 526 CA TRP A 36 -2.704 4.935 -2.177 1.00 0.00 C ATOM 527 C TRP A 36 -2.919 6.443 -2.118 1.00 0.00 C ATOM 528 O TRP A 36 -2.347 7.130 -1.272 1.00 0.00 O ATOM 529 CB TRP A 36 -3.816 4.218 -1.410 1.00 0.00 C ATOM 530 CG TRP A 36 -3.970 4.699 0.001 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.758 5.728 0.435 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.319 4.173 1.162 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.635 5.872 1.796 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.759 4.930 2.266 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.408 3.135 1.378 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.317 4.681 3.563 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -1.971 2.889 2.666 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.426 3.659 3.745 1.00 0.00 C ATOM 0 H TRP A 36 -0.974 5.292 -1.047 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.733 4.623 -3.221 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.759 4.356 -1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.610 3.148 -1.401 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.385 6.338 -0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.118 6.568 2.364 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.052 2.536 0.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.665 5.274 4.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.267 2.090 2.844 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.066 3.441 4.740 1.00 0.00 H new ATOM 549 N THR A 37 -3.749 6.954 -3.023 1.00 0.00 N ATOM 550 CA THR A 37 -4.039 8.381 -3.074 1.00 0.00 C ATOM 551 C THR A 37 -5.539 8.641 -2.981 1.00 0.00 C ATOM 552 O THR A 37 -6.349 7.736 -3.182 1.00 0.00 O ATOM 553 CB THR A 37 -3.498 9.018 -4.368 1.00 0.00 C ATOM 554 OG1 THR A 37 -4.016 8.325 -5.509 1.00 0.00 O ATOM 555 CG2 THR A 37 -1.978 8.983 -4.394 1.00 0.00 C ATOM 0 H THR A 37 -4.232 6.400 -3.730 1.00 0.00 H new ATOM 0 HA THR A 37 -3.541 8.836 -2.218 1.00 0.00 H new ATOM 0 HB THR A 37 -3.822 10.058 -4.398 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.331 7.721 -5.864 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.619 9.438 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.587 9.537 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.637 7.949 -4.343 1.00 0.00 H new ATOM 563 N VAL A 38 -5.902 9.883 -2.677 1.00 0.00 N ATOM 564 CA VAL A 38 -7.305 10.262 -2.560 1.00 0.00 C ATOM 565 C VAL A 38 -7.541 11.668 -3.100 1.00 0.00 C ATOM 566 O VAL A 38 -7.010 12.645 -2.571 1.00 0.00 O ATOM 567 CB VAL A 38 -7.783 10.199 -1.097 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.747 8.767 -0.585 1.00 0.00 C ATOM 569 CG2 VAL A 38 -6.936 11.108 -0.220 1.00 0.00 C ATOM 0 H VAL A 38 -5.244 10.644 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.877 9.548 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.814 10.549 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.088 8.742 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.400 8.145 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.727 8.386 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.288 11.051 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.894 10.790 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.018 12.135 -0.575 1.00 0.00 H new ATOM 579 N ASP A 39 -8.341 11.763 -4.156 1.00 0.00 N ATOM 580 CA ASP A 39 -8.649 13.051 -4.768 1.00 0.00 C ATOM 581 C ASP A 39 -9.031 14.079 -3.707 1.00 0.00 C ATOM 582 O ASP A 39 -8.608 15.233 -3.767 1.00 0.00 O ATOM 583 CB ASP A 39 -9.785 12.899 -5.781 1.00 0.00 C ATOM 584 CG ASP A 39 -9.362 12.125 -7.014 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.895 10.977 -6.861 1.00 0.00 O ATOM 586 OD2 ASP A 39 -9.498 12.667 -8.131 1.00 0.00 O ATOM 0 H ASP A 39 -8.788 10.964 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.756 13.403 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.625 12.391 -5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.137 13.887 -6.079 1.00 0.00 H new ATOM 591 N ARG A 40 -9.833 13.652 -2.738 1.00 0.00 N ATOM 592 CA ARG A 40 -10.274 14.536 -1.666 1.00 0.00 C ATOM 593 C ARG A 40 -9.843 13.996 -0.305 1.00 0.00 C ATOM 594 O ARG A 40 -9.570 12.805 -0.157 1.00 0.00 O ATOM 595 CB ARG A 40 -11.794 14.699 -1.703 1.00 0.00 C ATOM 596 CG ARG A 40 -12.302 15.392 -2.957 1.00 0.00 C ATOM 597 CD ARG A 40 -13.818 15.326 -3.054 1.00 0.00 C ATOM 598 NE ARG A 40 -14.334 16.164 -4.134 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.256 15.836 -5.419 1.00 0.00 C ATOM 600 NH1 ARG A 40 -13.688 14.694 -5.783 1.00 0.00 N ATOM 601 NH2 ARG A 40 -14.749 16.650 -6.344 1.00 0.00 N ATOM 0 H ARG A 40 -10.191 12.699 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.807 15.509 -1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.258 13.716 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.111 15.269 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.981 16.434 -2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.859 14.925 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.126 14.293 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.256 15.643 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.778 17.049 -3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.309 14.064 -5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.630 14.445 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.188 17.528 -6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.689 16.397 -7.330 1.00 0.00 H new ATOM 615 N GLN A 41 -9.783 14.881 0.685 1.00 0.00 N ATOM 616 CA GLN A 41 -9.383 14.494 2.033 1.00 0.00 C ATOM 617 C GLN A 41 -10.529 14.696 3.019 1.00 0.00 C ATOM 618 O GLN A 41 -10.813 15.811 3.458 1.00 0.00 O ATOM 619 CB GLN A 41 -8.163 15.301 2.478 1.00 0.00 C ATOM 620 CG GLN A 41 -7.742 15.027 3.912 1.00 0.00 C ATOM 621 CD GLN A 41 -6.727 16.030 4.425 1.00 0.00 C ATOM 622 OE1 GLN A 41 -6.015 16.663 3.645 1.00 0.00 O ATOM 623 NE2 GLN A 41 -6.657 16.180 5.742 1.00 0.00 N ATOM 0 H GLN A 41 -10.006 15.871 0.579 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.123 13.436 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.328 15.077 1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.381 16.363 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.622 15.046 4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.321 14.024 3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.267 15.634 6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.993 16.841 6.145 1.00 0.00 H new ATOM 632 N PRO A 42 -11.204 13.594 3.377 1.00 0.00 N ATOM 633 CA PRO A 42 -12.329 13.625 4.316 1.00 0.00 C ATOM 634 C PRO A 42 -11.886 13.935 5.742 1.00 0.00 C ATOM 635 O PRO A 42 -10.922 13.356 6.241 1.00 0.00 O ATOM 636 CB PRO A 42 -12.902 12.208 4.230 1.00 0.00 C ATOM 637 CG PRO A 42 -11.756 11.363 3.791 1.00 0.00 C ATOM 638 CD PRO A 42 -10.920 12.232 2.893 1.00 0.00 C ATOM 0 HA PRO A 42 -13.047 14.406 4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.291 11.879 5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.727 12.157 3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.177 11.016 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.105 10.477 3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.860 11.990 2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.197 12.112 1.846 1.00 0.00 H new ATOM 646 N GLN A 43 -12.598 14.851 6.391 1.00 0.00 N ATOM 647 CA GLN A 43 -12.276 15.238 7.760 1.00 0.00 C ATOM 648 C GLN A 43 -12.897 14.268 8.759 1.00 0.00 C ATOM 649 O GLN A 43 -12.243 13.834 9.708 1.00 0.00 O ATOM 650 CB GLN A 43 -12.767 16.660 8.039 1.00 0.00 C ATOM 651 CG GLN A 43 -11.974 17.731 7.309 1.00 0.00 C ATOM 652 CD GLN A 43 -10.508 17.738 7.696 1.00 0.00 C ATOM 653 OE1 GLN A 43 -10.153 17.425 8.832 1.00 0.00 O ATOM 654 NE2 GLN A 43 -9.648 18.096 6.749 1.00 0.00 N ATOM 0 H GLN A 43 -13.400 15.338 5.992 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.193 15.206 7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.816 16.736 7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.716 16.849 9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.061 17.573 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.407 18.708 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.987 18.348 5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.648 18.119 6.950 1.00 0.00 H new ATOM 663 N PHE A 44 -14.164 13.931 8.541 1.00 0.00 N ATOM 664 CA PHE A 44 -14.874 13.012 9.424 1.00 0.00 C ATOM 665 C PHE A 44 -14.107 11.702 9.576 1.00 0.00 C ATOM 666 O PHE A 44 -14.157 11.060 10.626 1.00 0.00 O ATOM 667 CB PHE A 44 -16.278 12.734 8.882 1.00 0.00 C ATOM 668 CG PHE A 44 -16.297 11.763 7.736 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.744 12.105 6.512 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.866 10.509 7.883 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.761 11.214 5.456 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.886 9.613 6.830 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.332 9.966 5.616 1.00 0.00 C ATOM 0 H PHE A 44 -14.720 14.280 7.761 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.956 13.480 10.405 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.899 12.344 9.688 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.727 13.673 8.559 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.295 13.079 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.299 10.228 8.831 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.328 11.493 4.507 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.334 8.639 6.957 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.345 9.268 4.792 1.00 0.00 H new ATOM 683 N ILE A 45 -13.397 11.313 8.523 1.00 0.00 N ATOM 684 CA ILE A 45 -12.619 10.080 8.539 1.00 0.00 C ATOM 685 C ILE A 45 -11.821 9.952 9.832 1.00 0.00 C ATOM 686 O ILE A 45 -11.702 10.909 10.597 1.00 0.00 O ATOM 687 CB ILE A 45 -11.652 10.009 7.343 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.332 8.551 7.004 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.377 10.780 7.646 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.784 8.362 5.607 1.00 0.00 C ATOM 0 H ILE A 45 -13.344 11.834 7.648 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.330 9.257 8.470 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.133 10.467 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.608 8.169 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.237 7.954 7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.704 10.720 6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.621 11.824 7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.891 10.349 8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.580 7.305 5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.515 8.713 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.861 8.932 5.498 1.00 0.00 H new ATOM 702 N GLN A 46 -11.275 8.763 10.068 1.00 0.00 N ATOM 703 CA GLN A 46 -10.486 8.511 11.269 1.00 0.00 C ATOM 704 C GLN A 46 -9.116 7.946 10.910 1.00 0.00 C ATOM 705 O GLN A 46 -8.111 8.284 11.535 1.00 0.00 O ATOM 706 CB GLN A 46 -11.224 7.542 12.194 1.00 0.00 C ATOM 707 CG GLN A 46 -12.142 8.232 13.190 1.00 0.00 C ATOM 708 CD GLN A 46 -11.399 8.758 14.402 1.00 0.00 C ATOM 709 OE1 GLN A 46 -11.424 9.955 14.689 1.00 0.00 O ATOM 710 NE2 GLN A 46 -10.733 7.863 15.122 1.00 0.00 N ATOM 0 H GLN A 46 -11.364 7.960 9.445 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.344 9.460 11.787 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.812 6.851 11.589 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.493 6.945 12.739 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.653 9.058 12.695 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.911 7.531 13.516 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.740 6.881 14.847 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.215 8.158 15.950 1.00 0.00 H new ATOM 719 N GLY A 47 -9.082 7.082 9.900 1.00 0.00 N ATOM 720 CA GLY A 47 -7.830 6.484 9.476 1.00 0.00 C ATOM 721 C GLY A 47 -7.945 5.785 8.136 1.00 0.00 C ATOM 722 O GLY A 47 -8.727 6.196 7.279 1.00 0.00 O ATOM 0 H GLY A 47 -9.900 6.786 9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.064 7.257 9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.500 5.768 10.229 1.00 0.00 H new ATOM 726 N TYR A 48 -7.164 4.726 7.954 1.00 0.00 N ATOM 727 CA TYR A 48 -7.179 3.971 6.707 1.00 0.00 C ATOM 728 C TYR A 48 -6.916 2.490 6.964 1.00 0.00 C ATOM 729 O TYR A 48 -5.792 2.092 7.273 1.00 0.00 O ATOM 730 CB TYR A 48 -6.133 4.525 5.738 1.00 0.00 C ATOM 731 CG TYR A 48 -6.527 5.844 5.112 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.382 5.888 4.019 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.042 7.046 5.614 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.744 7.090 3.443 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.400 8.253 5.045 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.251 8.270 3.960 1.00 0.00 C ATOM 737 OH TYR A 48 -7.608 9.470 3.390 1.00 0.00 O ATOM 0 H TYR A 48 -6.513 4.371 8.654 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.168 4.074 6.261 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.189 4.652 6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.959 3.795 4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.771 4.966 3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.374 7.036 6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.409 7.106 2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.015 9.178 5.448 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.917 10.085 4.088 1.00 0.00 H new ATOM 747 N ARG A 49 -7.961 1.679 6.834 1.00 0.00 N ATOM 748 CA ARG A 49 -7.844 0.242 7.052 1.00 0.00 C ATOM 749 C ARG A 49 -7.359 -0.462 5.788 1.00 0.00 C ATOM 750 O ARG A 49 -7.961 -0.331 4.722 1.00 0.00 O ATOM 751 CB ARG A 49 -9.190 -0.339 7.488 1.00 0.00 C ATOM 752 CG ARG A 49 -9.068 -1.633 8.277 1.00 0.00 C ATOM 753 CD ARG A 49 -10.351 -1.951 9.028 1.00 0.00 C ATOM 754 NE ARG A 49 -10.643 -0.957 10.058 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.097 -0.972 11.269 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.236 -1.924 11.600 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.413 -0.033 12.152 1.00 0.00 N ATOM 0 H ARG A 49 -8.898 1.992 6.579 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.111 0.077 7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.715 0.399 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.802 -0.519 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.829 -2.453 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.242 -1.553 8.984 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.181 -1.998 8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.267 -2.936 9.488 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.302 -0.211 9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.991 -2.648 10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.818 -1.933 12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.076 0.701 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.993 -0.045 13.082 1.00 0.00 H new ATOM 771 N VAL A 50 -6.267 -1.209 5.915 1.00 0.00 N ATOM 772 CA VAL A 50 -5.701 -1.934 4.784 1.00 0.00 C ATOM 773 C VAL A 50 -5.966 -3.431 4.903 1.00 0.00 C ATOM 774 O VAL A 50 -5.196 -4.160 5.529 1.00 0.00 O ATOM 775 CB VAL A 50 -4.183 -1.700 4.670 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.603 -2.510 3.520 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.885 -0.219 4.493 1.00 0.00 C ATOM 0 H VAL A 50 -5.757 -1.328 6.790 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.188 -1.552 3.887 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.710 -2.035 5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.530 -2.332 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.785 -3.571 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.078 -2.208 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.808 -0.071 4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.368 0.143 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.265 0.334 5.352 1.00 0.00 H new ATOM 787 N MET A 51 -7.060 -3.883 4.298 1.00 0.00 N ATOM 788 CA MET A 51 -7.425 -5.294 4.335 1.00 0.00 C ATOM 789 C MET A 51 -6.508 -6.117 3.435 1.00 0.00 C ATOM 790 O MET A 51 -6.305 -5.782 2.268 1.00 0.00 O ATOM 791 CB MET A 51 -8.881 -5.477 3.904 1.00 0.00 C ATOM 792 CG MET A 51 -9.880 -5.267 5.031 1.00 0.00 C ATOM 793 SD MET A 51 -11.505 -5.952 4.655 1.00 0.00 S ATOM 794 CE MET A 51 -11.192 -7.703 4.868 1.00 0.00 C ATOM 0 H MET A 51 -7.708 -3.293 3.777 1.00 0.00 H new ATOM 0 HA MET A 51 -7.310 -5.647 5.360 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.103 -4.778 3.098 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.008 -6.481 3.499 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.497 -5.728 5.941 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.977 -4.200 5.231 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.680 -8.260 4.068 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.118 -7.887 4.835 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.587 -8.029 5.830 1.00 0.00 H new ATOM 804 N TYR A 52 -5.958 -7.194 3.985 1.00 0.00 N ATOM 805 CA TYR A 52 -5.061 -8.062 3.232 1.00 0.00 C ATOM 806 C TYR A 52 -5.241 -9.520 3.645 1.00 0.00 C ATOM 807 O TYR A 52 -5.627 -9.813 4.776 1.00 0.00 O ATOM 808 CB TYR A 52 -3.607 -7.636 3.444 1.00 0.00 C ATOM 809 CG TYR A 52 -3.124 -7.817 4.865 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.463 -6.905 5.857 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.329 -8.901 5.216 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.023 -7.067 7.156 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.886 -9.072 6.513 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.235 -8.151 7.479 1.00 0.00 C ATOM 815 OH TYR A 52 -1.796 -8.317 8.773 1.00 0.00 O ATOM 0 H TYR A 52 -6.118 -7.486 4.949 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.309 -7.969 2.175 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.967 -8.212 2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.500 -6.588 3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.081 -6.055 5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.053 -9.623 4.461 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.295 -6.348 7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.270 -9.921 6.769 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.253 -9.131 8.832 1.00 0.00 H new ATOM 825 N ARG A 53 -4.956 -10.430 2.718 1.00 0.00 N ATOM 826 CA ARG A 53 -5.086 -11.857 2.984 1.00 0.00 C ATOM 827 C ARG A 53 -4.225 -12.670 2.022 1.00 0.00 C ATOM 828 O ARG A 53 -3.577 -12.115 1.135 1.00 0.00 O ATOM 829 CB ARG A 53 -6.549 -12.289 2.865 1.00 0.00 C ATOM 830 CG ARG A 53 -7.060 -12.321 1.434 1.00 0.00 C ATOM 831 CD ARG A 53 -8.140 -13.375 1.252 1.00 0.00 C ATOM 832 NE ARG A 53 -8.388 -13.667 -0.157 1.00 0.00 N ATOM 833 CZ ARG A 53 -9.292 -14.545 -0.578 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.030 -15.213 0.297 1.00 0.00 N ATOM 835 NH2 ARG A 53 -9.460 -14.755 -1.878 1.00 0.00 N ATOM 0 H ARG A 53 -4.634 -10.204 1.777 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.741 -12.044 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.663 -13.280 3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.169 -11.608 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.457 -11.342 1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.232 -12.526 0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.844 -14.290 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.063 -13.032 1.719 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.837 -13.170 -0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.905 -15.054 1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.723 -15.886 -0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.895 -14.242 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.154 -15.429 -2.200 1.00 0.00 H new ATOM 849 N GLN A 54 -4.223 -13.986 2.206 1.00 0.00 N ATOM 850 CA GLN A 54 -3.441 -14.875 1.354 1.00 0.00 C ATOM 851 C GLN A 54 -4.328 -15.558 0.319 1.00 0.00 C ATOM 852 O GLN A 54 -5.468 -15.925 0.607 1.00 0.00 O ATOM 853 CB GLN A 54 -2.723 -15.927 2.202 1.00 0.00 C ATOM 854 CG GLN A 54 -1.416 -16.410 1.595 1.00 0.00 C ATOM 855 CD GLN A 54 -0.707 -17.426 2.468 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.903 -17.461 3.683 1.00 0.00 O ATOM 857 NE2 GLN A 54 0.122 -18.261 1.852 1.00 0.00 N ATOM 0 H GLN A 54 -4.754 -14.460 2.937 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.699 -14.273 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.523 -15.511 3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.385 -16.781 2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.615 -16.852 0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.759 -15.556 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.254 -18.196 0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.626 -18.967 2.388 1.00 0.00 H new ATOM 866 N THR A 55 -3.798 -15.725 -0.889 1.00 0.00 N ATOM 867 CA THR A 55 -4.542 -16.362 -1.968 1.00 0.00 C ATOM 868 C THR A 55 -4.244 -17.856 -2.034 1.00 0.00 C ATOM 869 O THR A 55 -5.141 -18.667 -2.265 1.00 0.00 O ATOM 870 CB THR A 55 -4.213 -15.724 -3.331 1.00 0.00 C ATOM 871 OG1 THR A 55 -2.807 -15.816 -3.588 1.00 0.00 O ATOM 872 CG2 THR A 55 -4.645 -14.265 -3.364 1.00 0.00 C ATOM 0 H THR A 55 -2.856 -15.428 -1.144 1.00 0.00 H new ATOM 0 HA THR A 55 -5.600 -16.214 -1.752 1.00 0.00 H new ATOM 0 HB THR A 55 -4.760 -16.266 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.662 -16.188 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.403 -13.836 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.720 -14.200 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.122 -13.713 -2.583 1.00 0.00 H new ATOM 880 N SER A 56 -2.980 -18.212 -1.830 1.00 0.00 N ATOM 881 CA SER A 56 -2.564 -19.609 -1.870 1.00 0.00 C ATOM 882 C SER A 56 -1.767 -19.974 -0.621 1.00 0.00 C ATOM 883 O SER A 56 -1.525 -19.132 0.243 1.00 0.00 O ATOM 884 CB SER A 56 -1.725 -19.878 -3.121 1.00 0.00 C ATOM 885 OG SER A 56 -1.675 -21.263 -3.413 1.00 0.00 O ATOM 0 H SER A 56 -2.226 -17.553 -1.635 1.00 0.00 H new ATOM 0 HA SER A 56 -3.460 -20.229 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.148 -19.339 -3.969 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.714 -19.497 -2.974 1.00 0.00 H new ATOM 0 HG SER A 56 -1.135 -21.408 -4.217 1.00 0.00 H new ATOM 891 N GLY A 57 -1.361 -21.237 -0.534 1.00 0.00 N ATOM 892 CA GLY A 57 -0.596 -21.693 0.612 1.00 0.00 C ATOM 893 C GLY A 57 -1.464 -22.356 1.662 1.00 0.00 C ATOM 894 O GLY A 57 -2.329 -23.171 1.339 1.00 0.00 O ATOM 0 H GLY A 57 -1.548 -21.952 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.167 -22.397 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.075 -20.846 1.058 1.00 0.00 H new ATOM 898 N LEU A 58 -1.233 -22.009 2.924 1.00 0.00 N ATOM 899 CA LEU A 58 -2.000 -22.578 4.026 1.00 0.00 C ATOM 900 C LEU A 58 -3.044 -21.588 4.531 1.00 0.00 C ATOM 901 O LEU A 58 -4.220 -21.927 4.667 1.00 0.00 O ATOM 902 CB LEU A 58 -1.066 -22.979 5.170 1.00 0.00 C ATOM 903 CG LEU A 58 -1.579 -24.077 6.102 1.00 0.00 C ATOM 904 CD1 LEU A 58 -2.757 -23.574 6.922 1.00 0.00 C ATOM 905 CD2 LEU A 58 -1.971 -25.313 5.305 1.00 0.00 C ATOM 0 H LEU A 58 -0.521 -21.337 3.209 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.515 -23.465 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.119 -23.307 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.855 -22.092 5.768 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.776 -24.350 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.109 -24.369 7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.444 -22.719 7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.563 -23.273 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.334 -26.084 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.758 -25.055 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.103 -25.687 4.763 1.00 0.00 H new ATOM 917 N GLN A 59 -2.607 -20.363 4.806 1.00 0.00 N ATOM 918 CA GLN A 59 -3.505 -19.324 5.294 1.00 0.00 C ATOM 919 C GLN A 59 -4.236 -18.648 4.138 1.00 0.00 C ATOM 920 O GLN A 59 -4.497 -17.446 4.174 1.00 0.00 O ATOM 921 CB GLN A 59 -2.725 -18.282 6.098 1.00 0.00 C ATOM 922 CG GLN A 59 -2.446 -18.704 7.532 1.00 0.00 C ATOM 923 CD GLN A 59 -1.551 -17.724 8.265 1.00 0.00 C ATOM 924 OE1 GLN A 59 -2.017 -16.708 8.781 1.00 0.00 O ATOM 925 NE2 GLN A 59 -0.259 -18.025 8.315 1.00 0.00 N ATOM 0 H GLN A 59 -1.637 -20.066 4.699 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.245 -19.794 5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.778 -18.082 5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.285 -17.347 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.390 -18.800 8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.978 -19.688 7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.083 -18.878 7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.391 -17.403 8.795 1.00 0.00 H new ATOM 934 N ALA A 60 -4.562 -19.429 3.114 1.00 0.00 N ATOM 935 CA ALA A 60 -5.264 -18.907 1.948 1.00 0.00 C ATOM 936 C ALA A 60 -6.775 -18.998 2.130 1.00 0.00 C ATOM 937 O ALA A 60 -7.286 -19.964 2.699 1.00 0.00 O ATOM 938 CB ALA A 60 -4.835 -19.655 0.695 1.00 0.00 C ATOM 0 H ALA A 60 -4.351 -20.426 3.068 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.001 -17.855 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.367 -19.255 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.762 -19.533 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.068 -20.714 0.806 1.00 0.00 H new ATOM 944 N THR A 61 -7.487 -17.986 1.645 1.00 0.00 N ATOM 945 CA THR A 61 -8.940 -17.951 1.756 1.00 0.00 C ATOM 946 C THR A 61 -9.400 -18.471 3.113 1.00 0.00 C ATOM 947 O THR A 61 -10.513 -18.980 3.249 1.00 0.00 O ATOM 948 CB THR A 61 -9.609 -18.784 0.646 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.029 -18.610 0.692 1.00 0.00 O ATOM 950 CG2 THR A 61 -9.268 -20.259 0.797 1.00 0.00 C ATOM 0 H THR A 61 -7.081 -17.179 1.171 1.00 0.00 H new ATOM 0 HA THR A 61 -9.240 -16.909 1.648 1.00 0.00 H new ATOM 0 HB THR A 61 -9.232 -18.437 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.336 -18.667 1.621 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.751 -20.827 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.188 -20.391 0.732 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.620 -20.617 1.765 1.00 0.00 H new ATOM 958 N SER A 62 -8.538 -18.338 4.116 1.00 0.00 N ATOM 959 CA SER A 62 -8.856 -18.798 5.463 1.00 0.00 C ATOM 960 C SER A 62 -9.615 -17.726 6.238 1.00 0.00 C ATOM 961 O SER A 62 -10.642 -18.002 6.858 1.00 0.00 O ATOM 962 CB SER A 62 -7.575 -19.174 6.211 1.00 0.00 C ATOM 963 OG SER A 62 -7.872 -19.762 7.466 1.00 0.00 O ATOM 0 H SER A 62 -7.614 -17.916 4.022 1.00 0.00 H new ATOM 0 HA SER A 62 -9.492 -19.679 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.989 -19.869 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.962 -18.285 6.358 1.00 0.00 H new ATOM 0 HG SER A 62 -7.037 -19.995 7.924 1.00 0.00 H new ATOM 969 N SER A 63 -9.102 -16.500 6.198 1.00 0.00 N ATOM 970 CA SER A 63 -9.728 -15.386 6.899 1.00 0.00 C ATOM 971 C SER A 63 -9.042 -14.069 6.550 1.00 0.00 C ATOM 972 O SER A 63 -7.820 -13.949 6.643 1.00 0.00 O ATOM 973 CB SER A 63 -9.678 -15.614 8.411 1.00 0.00 C ATOM 974 OG SER A 63 -8.375 -15.387 8.919 1.00 0.00 O ATOM 0 H SER A 63 -8.254 -16.254 5.687 1.00 0.00 H new ATOM 0 HA SER A 63 -10.769 -15.329 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.385 -14.948 8.906 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.988 -16.634 8.638 1.00 0.00 H new ATOM 0 HG SER A 63 -7.829 -14.946 8.235 1.00 0.00 H new ATOM 980 N TRP A 64 -9.836 -13.084 6.147 1.00 0.00 N ATOM 981 CA TRP A 64 -9.306 -11.775 5.783 1.00 0.00 C ATOM 982 C TRP A 64 -8.747 -11.055 7.005 1.00 0.00 C ATOM 983 O TRP A 64 -9.029 -11.433 8.141 1.00 0.00 O ATOM 984 CB TRP A 64 -10.396 -10.925 5.128 1.00 0.00 C ATOM 985 CG TRP A 64 -10.456 -11.080 3.639 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.258 -11.933 2.935 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.683 -10.363 2.670 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.029 -11.790 1.588 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.068 -10.833 1.399 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.704 -9.369 2.753 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.506 -10.342 0.223 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.148 -8.884 1.585 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.550 -9.370 0.334 1.00 0.00 C ATOM 0 H TRP A 64 -10.849 -13.167 6.064 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.495 -11.924 5.071 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.362 -11.196 5.553 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.224 -9.876 5.370 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.968 -12.619 3.373 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.499 -12.312 0.848 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.388 -8.987 3.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.814 -10.716 -0.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.390 -8.117 1.637 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.096 -8.969 -0.560 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.955 -10.015 6.763 1.00 0.00 N ATOM 1005 CA GLN A 65 -7.357 -9.243 7.845 1.00 0.00 C ATOM 1006 C GLN A 65 -7.509 -7.747 7.595 1.00 0.00 C ATOM 1007 O GLN A 65 -8.087 -7.331 6.592 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.877 -9.599 7.997 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.639 -10.933 8.687 1.00 0.00 C ATOM 1010 CD GLN A 65 -4.284 -11.527 8.357 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -3.409 -10.847 7.822 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -4.103 -12.803 8.677 1.00 0.00 N ATOM 0 H GLN A 65 -7.713 -9.688 5.828 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.880 -9.493 8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.414 -9.622 7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.379 -8.812 8.564 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.720 -10.799 9.766 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.420 -11.634 8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.856 -13.330 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.211 -13.257 8.480 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.987 -6.942 8.515 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.065 -5.490 8.394 1.00 0.00 C ATOM 1023 C ASN A 66 -5.991 -4.815 9.240 1.00 0.00 C ATOM 1024 O ASN A 66 -5.745 -5.209 10.381 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.450 -4.997 8.819 1.00 0.00 C ATOM 1026 CG ASN A 66 -8.980 -5.735 10.033 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -8.238 -6.015 10.975 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.268 -6.055 10.015 1.00 0.00 N ATOM 0 H ASN A 66 -6.506 -7.270 9.352 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.897 -5.227 7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.401 -3.930 9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.147 -5.120 7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.681 -6.553 10.803 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.845 -5.802 9.213 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.354 -3.795 8.675 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.306 -3.064 9.377 1.00 0.00 C ATOM 1037 C LEU A 67 -4.726 -1.619 9.630 1.00 0.00 C ATOM 1038 O LEU A 67 -4.631 -0.770 8.743 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.006 -3.095 8.570 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.785 -2.462 9.239 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.072 -3.478 10.118 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.835 -1.901 8.192 1.00 0.00 C ATOM 0 H LEU A 67 -5.545 -3.456 7.732 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.141 -3.549 10.339 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.771 -4.134 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.179 -2.588 7.621 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.125 -1.641 9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.206 -3.010 10.586 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.754 -3.833 10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.744 -4.320 9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.028 -1.454 8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.502 -2.705 7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.350 -1.141 7.604 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.188 -1.348 10.845 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.619 -0.005 11.217 1.00 0.00 C ATOM 1056 C ASP A 68 -4.429 0.946 11.298 1.00 0.00 C ATOM 1057 O ASP A 68 -3.647 0.897 12.247 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.356 -0.035 12.557 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.742 -1.020 13.533 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.655 -0.723 14.071 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -6.349 -2.087 13.758 1.00 0.00 O ATOM 0 H ASP A 68 -5.274 -2.040 11.589 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.298 0.358 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.345 0.962 12.997 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.400 -0.298 12.388 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.298 1.808 10.295 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.203 2.770 10.254 1.00 0.00 C ATOM 1068 C ALA A 69 -3.199 3.651 11.498 1.00 0.00 C ATOM 1069 O ALA A 69 -2.143 4.068 11.974 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.300 3.626 8.999 1.00 0.00 C ATOM 0 H ALA A 69 -4.936 1.860 9.501 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.265 2.215 10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.477 4.340 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.246 2.987 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.247 4.165 8.998 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.388 3.933 12.022 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.522 4.764 13.212 1.00 0.00 C ATOM 1078 C LYS A 70 -3.977 6.166 12.961 1.00 0.00 C ATOM 1079 O LYS A 70 -3.510 6.836 13.882 1.00 0.00 O ATOM 1080 CB LYS A 70 -3.787 4.124 14.392 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.652 3.177 15.206 1.00 0.00 C ATOM 1082 CD LYS A 70 -3.863 2.527 16.330 1.00 0.00 C ATOM 1083 CE LYS A 70 -4.704 1.511 17.087 1.00 0.00 C ATOM 1084 NZ LYS A 70 -5.622 2.165 18.060 1.00 0.00 N ATOM 0 H LYS A 70 -5.273 3.598 11.640 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.582 4.843 13.452 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.920 3.580 14.017 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.411 4.911 15.045 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.498 3.723 15.623 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.061 2.405 14.554 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.980 2.037 15.920 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.510 3.294 17.019 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.286 0.921 16.379 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.049 0.819 17.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.177 1.439 18.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.066 2.707 18.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.265 2.807 17.553 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.042 6.606 11.708 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.558 7.930 11.336 1.00 0.00 C ATOM 1100 C VAL A 71 -4.015 8.308 9.932 1.00 0.00 C ATOM 1101 O VAL A 71 -3.599 7.716 8.936 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.021 8.004 11.401 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.398 6.813 10.687 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.525 9.312 10.804 1.00 0.00 C ATOM 0 H VAL A 71 -4.425 6.064 10.933 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.979 8.634 12.054 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.717 7.970 12.447 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.312 6.883 10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.728 5.890 11.164 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.708 6.813 9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.437 9.347 10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.839 9.379 9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.943 10.149 11.363 1.00 0.00 H new ATOM 1114 N PRO A 72 -4.893 9.318 9.847 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.426 9.799 8.569 1.00 0.00 C ATOM 1116 C PRO A 72 -4.371 10.517 7.735 1.00 0.00 C ATOM 1117 O PRO A 72 -4.535 10.697 6.528 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.530 10.774 8.989 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.130 11.235 10.348 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.433 10.069 10.993 1.00 0.00 C ATOM 0 HA PRO A 72 -5.777 8.981 7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.606 11.610 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.504 10.285 9.007 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.469 12.100 10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.001 11.539 10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.642 10.397 11.667 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.123 9.464 11.581 1.00 0.00 H new ATOM 1128 N THR A 73 -3.286 10.925 8.385 1.00 0.00 N ATOM 1129 CA THR A 73 -2.204 11.624 7.703 1.00 0.00 C ATOM 1130 C THR A 73 -1.185 10.641 7.137 1.00 0.00 C ATOM 1131 O THR A 73 -0.026 10.992 6.920 1.00 0.00 O ATOM 1132 CB THR A 73 -1.484 12.604 8.649 1.00 0.00 C ATOM 1133 OG1 THR A 73 -0.888 11.888 9.736 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.453 13.644 9.190 1.00 0.00 C ATOM 0 H THR A 73 -3.133 10.783 9.383 1.00 0.00 H new ATOM 0 HA THR A 73 -2.656 12.185 6.886 1.00 0.00 H new ATOM 0 HB THR A 73 -0.706 13.116 8.082 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.431 12.518 10.331 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.922 14.325 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.882 14.207 8.361 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.251 13.146 9.742 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.627 9.410 6.899 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.752 8.377 6.358 1.00 0.00 C ATOM 1144 C GLU A 74 -1.406 7.678 5.170 1.00 0.00 C ATOM 1145 O GLU A 74 -2.427 7.006 5.316 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.406 7.352 7.440 1.00 0.00 C ATOM 1147 CG GLU A 74 0.858 7.687 8.215 1.00 0.00 C ATOM 1148 CD GLU A 74 1.476 6.471 8.877 1.00 0.00 C ATOM 1149 OE1 GLU A 74 0.775 5.446 9.009 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.661 6.545 9.263 1.00 0.00 O ATOM 0 H GLU A 74 -2.585 9.104 7.072 1.00 0.00 H new ATOM 0 HA GLU A 74 0.165 8.856 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.240 7.277 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.289 6.372 6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.585 8.137 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.626 8.432 8.976 1.00 0.00 H new ATOM 1157 N ARG A 75 -0.810 7.841 3.993 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.335 7.228 2.779 1.00 0.00 C ATOM 1159 C ARG A 75 -0.455 6.063 2.335 1.00 0.00 C ATOM 1160 O ARG A 75 -0.354 5.767 1.144 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.430 8.265 1.658 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.328 9.444 1.995 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.778 9.160 1.638 1.00 0.00 C ATOM 1164 NE ARG A 75 -4.704 9.976 2.420 1.00 0.00 N ATOM 1165 CZ ARG A 75 -4.880 11.278 2.225 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -4.198 11.909 1.279 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -5.741 11.952 2.977 1.00 0.00 N ATOM 0 H ARG A 75 0.037 8.393 3.855 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.332 6.846 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.430 8.634 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.804 7.780 0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.251 9.669 3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.986 10.328 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.934 9.351 0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.993 8.105 1.807 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.245 9.521 3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.536 11.394 0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.336 12.909 1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.268 11.470 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.876 12.952 2.827 1.00 0.00 H new ATOM 1181 N SER A 76 0.179 5.405 3.300 1.00 0.00 N ATOM 1182 CA SER A 76 1.054 4.275 3.008 1.00 0.00 C ATOM 1183 C SER A 76 1.191 3.366 4.226 1.00 0.00 C ATOM 1184 O SER A 76 1.462 3.829 5.333 1.00 0.00 O ATOM 1185 CB SER A 76 2.433 4.771 2.570 1.00 0.00 C ATOM 1186 OG SER A 76 3.003 5.625 3.547 1.00 0.00 O ATOM 0 H SER A 76 0.103 5.635 4.291 1.00 0.00 H new ATOM 0 HA SER A 76 0.608 3.701 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.091 3.919 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.347 5.303 1.623 1.00 0.00 H new ATOM 0 HG SER A 76 2.598 5.440 4.420 1.00 0.00 H new ATOM 1192 N ALA A 77 1.001 2.068 4.011 1.00 0.00 N ATOM 1193 CA ALA A 77 1.105 1.092 5.089 1.00 0.00 C ATOM 1194 C ALA A 77 2.098 -0.010 4.738 1.00 0.00 C ATOM 1195 O ALA A 77 2.290 -0.336 3.566 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.261 0.497 5.396 1.00 0.00 C ATOM 0 H ALA A 77 0.774 1.668 3.100 1.00 0.00 H new ATOM 0 HA ALA A 77 1.473 1.606 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.168 -0.230 6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.944 1.291 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.651 0.003 4.506 1.00 0.00 H new ATOM 1202 N VAL A 78 2.727 -0.581 5.760 1.00 0.00 N ATOM 1203 CA VAL A 78 3.701 -1.648 5.559 1.00 0.00 C ATOM 1204 C VAL A 78 3.236 -2.946 6.210 1.00 0.00 C ATOM 1205 O VAL A 78 3.361 -3.125 7.422 1.00 0.00 O ATOM 1206 CB VAL A 78 5.079 -1.265 6.130 1.00 0.00 C ATOM 1207 CG1 VAL A 78 6.069 -2.405 5.945 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.592 0.009 5.474 1.00 0.00 C ATOM 0 H VAL A 78 2.580 -0.323 6.736 1.00 0.00 H new ATOM 0 HA VAL A 78 3.791 -1.796 4.483 1.00 0.00 H new ATOM 0 HB VAL A 78 4.971 -1.079 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.037 -2.116 6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.705 -3.291 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.175 -2.626 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.567 0.265 5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.685 -0.147 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.892 0.823 5.663 1.00 0.00 H new ATOM 1218 N LEU A 79 2.700 -3.850 5.397 1.00 0.00 N ATOM 1219 CA LEU A 79 2.216 -5.133 5.893 1.00 0.00 C ATOM 1220 C LEU A 79 3.375 -6.096 6.132 1.00 0.00 C ATOM 1221 O LEU A 79 3.988 -6.593 5.187 1.00 0.00 O ATOM 1222 CB LEU A 79 1.226 -5.745 4.901 1.00 0.00 C ATOM 1223 CG LEU A 79 0.084 -4.836 4.445 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.588 -5.404 3.205 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.929 -4.650 5.565 1.00 0.00 C ATOM 0 H LEU A 79 2.590 -3.718 4.392 1.00 0.00 H new ATOM 0 HA LEU A 79 1.709 -4.960 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.779 -6.070 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.794 -6.638 5.353 1.00 0.00 H new ATOM 0 HG LEU A 79 0.500 -3.861 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.398 -4.744 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.142 -5.485 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.991 -6.392 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.735 -4.000 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.340 -5.619 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.439 -4.197 6.427 1.00 0.00 H new ATOM 1237 N VAL A 80 3.669 -6.357 7.402 1.00 0.00 N ATOM 1238 CA VAL A 80 4.751 -7.264 7.765 1.00 0.00 C ATOM 1239 C VAL A 80 4.217 -8.652 8.100 1.00 0.00 C ATOM 1240 O VAL A 80 3.018 -8.907 7.999 1.00 0.00 O ATOM 1241 CB VAL A 80 5.551 -6.729 8.969 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.176 -5.383 8.639 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.659 -6.626 10.196 1.00 0.00 C ATOM 0 H VAL A 80 3.173 -5.953 8.196 1.00 0.00 H new ATOM 0 HA VAL A 80 5.411 -7.332 6.900 1.00 0.00 H new ATOM 0 HB VAL A 80 6.355 -7.431 9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.737 -5.021 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.849 -5.493 7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.391 -4.668 8.391 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.239 -6.247 11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.833 -5.946 9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.264 -7.612 10.443 1.00 0.00 H new ATOM 1253 N ASN A 81 5.116 -9.545 8.500 1.00 0.00 N ATOM 1254 CA ASN A 81 4.735 -10.909 8.850 1.00 0.00 C ATOM 1255 C ASN A 81 3.892 -11.539 7.746 1.00 0.00 C ATOM 1256 O ASN A 81 2.792 -12.035 7.996 1.00 0.00 O ATOM 1257 CB ASN A 81 3.960 -10.921 10.170 1.00 0.00 C ATOM 1258 CG ASN A 81 4.862 -10.721 11.372 1.00 0.00 C ATOM 1259 OD1 ASN A 81 4.911 -11.560 12.271 1.00 0.00 O ATOM 1260 ND2 ASN A 81 5.581 -9.605 11.393 1.00 0.00 N ATOM 0 H ASN A 81 6.113 -9.349 8.590 1.00 0.00 H new ATOM 0 HA ASN A 81 5.646 -11.496 8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.204 -10.136 10.152 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.432 -11.869 10.269 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.206 -9.416 12.177 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.509 -8.937 10.625 1.00 0.00 H new ATOM 1267 N LEU A 82 4.413 -11.515 6.525 1.00 0.00 N ATOM 1268 CA LEU A 82 3.709 -12.084 5.381 1.00 0.00 C ATOM 1269 C LEU A 82 4.371 -13.381 4.924 1.00 0.00 C ATOM 1270 O LEU A 82 5.504 -13.679 5.302 1.00 0.00 O ATOM 1271 CB LEU A 82 3.676 -11.081 4.227 1.00 0.00 C ATOM 1272 CG LEU A 82 2.930 -9.774 4.495 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.170 -8.782 3.368 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.441 -10.035 4.671 1.00 0.00 C ATOM 0 H LEU A 82 5.321 -11.108 6.301 1.00 0.00 H new ATOM 0 HA LEU A 82 2.688 -12.308 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.703 -10.840 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.220 -11.566 3.364 1.00 0.00 H new ATOM 0 HG LEU A 82 3.314 -9.342 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.631 -7.858 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.236 -8.571 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.815 -9.206 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.926 -9.093 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.042 -10.490 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.287 -10.709 5.514 1.00 0.00 H new ATOM 1286 N LYS A 83 3.656 -14.148 4.107 1.00 0.00 N ATOM 1287 CA LYS A 83 4.174 -15.411 3.595 1.00 0.00 C ATOM 1288 C LYS A 83 5.042 -15.183 2.362 1.00 0.00 C ATOM 1289 O LYS A 83 4.843 -14.221 1.619 1.00 0.00 O ATOM 1290 CB LYS A 83 3.021 -16.357 3.253 1.00 0.00 C ATOM 1291 CG LYS A 83 3.470 -17.773 2.937 1.00 0.00 C ATOM 1292 CD LYS A 83 4.065 -18.455 4.158 1.00 0.00 C ATOM 1293 CE LYS A 83 4.253 -19.946 3.927 1.00 0.00 C ATOM 1294 NZ LYS A 83 4.867 -20.617 5.107 1.00 0.00 N ATOM 0 H LYS A 83 2.716 -13.917 3.785 1.00 0.00 H new ATOM 0 HA LYS A 83 4.790 -15.865 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.324 -16.384 4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.476 -15.958 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.621 -18.352 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.208 -17.751 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.025 -17.999 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.413 -18.298 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.288 -20.404 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.884 -20.101 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.979 -21.632 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.799 -20.197 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.253 -20.491 5.937 1.00 0.00 H new ATOM 1308 N LYS A 84 6.004 -16.074 2.148 1.00 0.00 N ATOM 1309 CA LYS A 84 6.902 -15.972 1.003 1.00 0.00 C ATOM 1310 C LYS A 84 6.554 -17.014 -0.054 1.00 0.00 C ATOM 1311 O LYS A 84 6.340 -18.184 0.260 1.00 0.00 O ATOM 1312 CB LYS A 84 8.355 -16.149 1.451 1.00 0.00 C ATOM 1313 CG LYS A 84 8.621 -17.474 2.144 1.00 0.00 C ATOM 1314 CD LYS A 84 10.109 -17.722 2.320 1.00 0.00 C ATOM 1315 CE LYS A 84 10.710 -16.792 3.363 1.00 0.00 C ATOM 1316 NZ LYS A 84 12.165 -17.044 3.558 1.00 0.00 N ATOM 0 H LYS A 84 6.182 -16.876 2.753 1.00 0.00 H new ATOM 0 HA LYS A 84 6.782 -14.981 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.007 -16.066 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.620 -15.336 2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.132 -17.481 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.182 -18.285 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.274 -18.758 2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.618 -17.579 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.558 -15.757 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.188 -16.924 4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.537 -16.390 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.308 -18.024 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.667 -16.893 2.660 1.00 0.00 H new ATOM 1330 N GLY A 85 6.501 -16.582 -1.311 1.00 0.00 N ATOM 1331 CA GLY A 85 6.181 -17.491 -2.396 1.00 0.00 C ATOM 1332 C GLY A 85 4.687 -17.626 -2.617 1.00 0.00 C ATOM 1333 O GLY A 85 4.192 -18.713 -2.913 1.00 0.00 O ATOM 0 H GLY A 85 6.674 -15.618 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.650 -17.136 -3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.604 -18.472 -2.180 1.00 0.00 H new ATOM 1337 N VAL A 86 3.966 -16.518 -2.471 1.00 0.00 N ATOM 1338 CA VAL A 86 2.520 -16.518 -2.656 1.00 0.00 C ATOM 1339 C VAL A 86 1.996 -15.104 -2.881 1.00 0.00 C ATOM 1340 O VAL A 86 2.642 -14.123 -2.511 1.00 0.00 O ATOM 1341 CB VAL A 86 1.799 -17.134 -1.443 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.092 -16.334 -0.183 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.301 -17.213 -1.698 1.00 0.00 C ATOM 0 H VAL A 86 4.360 -15.610 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 86 2.313 -17.124 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 86 2.174 -18.147 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.574 -16.785 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.165 -16.334 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.747 -15.308 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.193 -17.651 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.092 -16.211 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.113 -17.834 -2.574 1.00 0.00 H new ATOM 1353 N THR A 87 0.818 -15.005 -3.489 1.00 0.00 N ATOM 1354 CA THR A 87 0.205 -13.712 -3.764 1.00 0.00 C ATOM 1355 C THR A 87 -0.573 -13.204 -2.556 1.00 0.00 C ATOM 1356 O THR A 87 -0.936 -13.977 -1.669 1.00 0.00 O ATOM 1357 CB THR A 87 -0.741 -13.784 -4.977 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.199 -14.662 -5.970 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.958 -12.404 -5.578 1.00 0.00 C ATOM 0 H THR A 87 0.269 -15.806 -3.801 1.00 0.00 H new ATOM 0 HA THR A 87 1.017 -13.019 -3.987 1.00 0.00 H new ATOM 0 HB THR A 87 -1.702 -14.170 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.807 -14.704 -6.737 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.630 -12.481 -6.433 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.398 -11.746 -4.829 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.002 -11.994 -5.903 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.829 -11.901 -2.528 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.564 -11.290 -1.426 1.00 0.00 C ATOM 1369 C TYR A 88 -2.452 -10.155 -1.928 1.00 0.00 C ATOM 1370 O TYR A 88 -1.960 -9.139 -2.419 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.593 -10.763 -0.368 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.227 -11.788 0.681 1.00 0.00 C ATOM 1373 CD1 TYR A 88 0.828 -12.670 0.481 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -0.936 -11.875 1.873 1.00 0.00 C ATOM 1375 CE1 TYR A 88 1.165 -13.609 1.437 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -0.605 -12.809 2.835 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.446 -13.674 2.612 1.00 0.00 C ATOM 1378 OH TYR A 88 0.780 -14.607 3.567 1.00 0.00 O ATOM 0 H TYR A 88 -0.539 -11.247 -3.255 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.199 -12.054 -0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.316 -10.419 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.038 -9.897 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.394 -12.621 -0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.760 -11.200 2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.987 -14.288 1.265 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.166 -12.862 3.756 1.00 0.00 H new ATOM 0 HH TYR A 88 0.177 -14.520 4.334 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.762 -10.336 -1.799 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.719 -9.328 -2.239 1.00 0.00 C ATOM 1390 C GLU A 89 -4.897 -8.247 -1.177 1.00 0.00 C ATOM 1391 O GLU A 89 -5.187 -8.542 -0.017 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.069 -9.977 -2.552 1.00 0.00 C ATOM 1393 CG GLU A 89 -6.964 -9.124 -3.435 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.371 -9.678 -3.548 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.519 -10.842 -3.974 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.325 -8.946 -3.210 1.00 0.00 O ATOM 0 H GLU A 89 -4.185 -11.171 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.328 -8.863 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.897 -10.936 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.588 -10.185 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.007 -8.112 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.525 -9.053 -4.430 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.720 -6.994 -1.582 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.860 -5.868 -0.667 1.00 0.00 C ATOM 1405 C ILE A 90 -5.632 -4.724 -1.317 1.00 0.00 C ATOM 1406 O ILE A 90 -5.534 -4.501 -2.523 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.488 -5.347 -0.200 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.571 -6.516 0.164 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.653 -4.407 0.984 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.102 -6.219 -0.043 1.00 0.00 C ATOM 0 H ILE A 90 -4.479 -6.733 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.414 -6.232 0.198 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.029 -4.791 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.735 -6.785 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.846 -7.383 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.674 -4.047 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.274 -3.560 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.129 -4.939 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.512 -7.092 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.923 -5.979 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.811 -5.372 0.578 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.399 -4.001 -0.508 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.186 -2.877 -1.001 1.00 0.00 C ATOM 1424 C LYS A 91 -7.391 -1.835 0.093 1.00 0.00 C ATOM 1425 O LYS A 91 -7.624 -2.175 1.253 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.541 -3.365 -1.517 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.397 -4.025 -0.449 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.142 -5.521 -0.377 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.036 -6.189 0.657 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.424 -6.378 0.151 1.00 0.00 N ATOM 0 H LYS A 91 -6.492 -4.174 0.493 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.638 -2.413 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.086 -2.520 -1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.377 -4.074 -2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.186 -3.572 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.450 -3.844 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.318 -5.969 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.097 -5.702 -0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.614 -7.156 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.059 -5.583 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.002 -6.836 0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.836 -5.453 -0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.405 -6.977 -0.699 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.306 -0.563 -0.284 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.485 0.530 0.665 1.00 0.00 C ATOM 1446 C VAL A 92 -8.948 0.951 0.747 1.00 0.00 C ATOM 1447 O VAL A 92 -9.652 0.986 -0.262 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.630 1.752 0.282 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.877 2.901 1.248 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.155 1.381 0.248 1.00 0.00 C ATOM 0 H VAL A 92 -7.114 -0.264 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.161 0.161 1.638 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.922 2.079 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.264 3.756 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.930 3.183 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.615 2.589 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.566 2.257 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.846 1.027 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.995 0.593 -0.488 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.398 1.272 1.956 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.778 1.692 2.170 1.00 0.00 C ATOM 1462 C ARG A 93 -10.866 2.717 3.297 1.00 0.00 C ATOM 1463 O ARG A 93 -10.572 2.428 4.457 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.656 0.482 2.498 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.223 -0.263 3.750 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.008 -1.553 3.929 1.00 0.00 C ATOM 1467 NE ARG A 93 -11.612 -2.271 5.138 1.00 0.00 N ATOM 1468 CZ ARG A 93 -12.326 -3.253 5.677 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -13.467 -3.631 5.117 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -11.900 -3.859 6.777 1.00 0.00 N ATOM 0 H ARG A 93 -8.828 1.249 2.801 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.137 2.156 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.687 0.814 2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.642 -0.206 1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.158 -0.489 3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.365 0.375 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.073 -1.326 3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.856 -2.194 3.060 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.739 -2.004 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.798 -3.168 4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.014 -4.385 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.023 -3.571 7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.450 -4.613 7.189 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.278 3.945 2.949 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.414 5.038 3.916 1.00 0.00 C ATOM 1486 C PRO A 94 -12.572 4.816 4.883 1.00 0.00 C ATOM 1487 O PRO A 94 -13.738 4.954 4.512 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.681 6.261 3.034 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.283 5.706 1.790 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.645 4.360 1.584 1.00 0.00 C ATOM 0 HA PRO A 94 -10.531 5.135 4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.358 6.962 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.760 6.804 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.365 5.614 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.094 6.361 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.335 3.655 1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.772 4.424 0.935 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.244 4.473 6.123 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.257 4.230 7.143 1.00 0.00 C ATOM 1500 C TYR A 95 -13.307 5.379 8.145 1.00 0.00 C ATOM 1501 O TYR A 95 -12.320 6.088 8.345 1.00 0.00 O ATOM 1502 CB TYR A 95 -12.973 2.916 7.871 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.050 3.068 9.059 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.548 3.417 10.309 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.682 2.866 8.932 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.709 3.558 11.398 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.836 3.004 10.015 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.354 3.350 11.246 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.514 3.490 12.327 1.00 0.00 O ATOM 0 H TYR A 95 -11.284 4.357 6.447 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.226 4.161 6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.916 2.486 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.533 2.209 7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.609 3.581 10.431 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.272 2.596 7.970 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.112 3.829 12.363 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.775 2.842 9.899 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.592 3.308 12.050 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.464 5.557 8.774 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.646 6.620 9.756 1.00 0.00 C ATOM 1521 C PHE A 96 -14.822 6.041 11.157 1.00 0.00 C ATOM 1522 O PHE A 96 -14.027 6.312 12.056 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.858 7.480 9.391 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.349 8.334 10.524 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.471 8.805 11.486 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.691 8.666 10.627 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.920 9.592 12.530 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -18.146 9.453 11.668 1.00 0.00 C ATOM 1529 CZ PHE A 96 -17.259 9.916 12.621 1.00 0.00 C ATOM 0 H PHE A 96 -15.290 4.979 8.621 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.752 7.244 9.749 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.598 8.122 8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.668 6.830 9.059 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.423 8.554 11.420 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.389 8.306 9.886 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.224 9.953 13.273 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -19.194 9.706 11.737 1.00 0.00 H new ATOM 0 HZ PHE A 96 -17.613 10.530 13.436 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.870 5.244 11.334 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.152 4.627 12.625 1.00 0.00 C ATOM 1541 C ASN A 97 -16.325 3.118 12.482 1.00 0.00 C ATOM 1542 O ASN A 97 -15.471 2.343 12.909 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.411 5.240 13.242 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.350 5.285 14.757 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -17.302 4.249 15.418 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -17.351 6.492 15.312 1.00 0.00 N ATOM 0 H ASN A 97 -16.538 5.010 10.600 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.304 4.816 13.283 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.546 6.251 12.856 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.282 4.662 12.933 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.311 6.587 16.327 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.392 7.324 14.723 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.436 2.710 11.877 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.721 1.294 11.677 1.00 0.00 C ATOM 1555 C GLU A 98 -17.842 0.968 10.191 1.00 0.00 C ATOM 1556 O GLU A 98 -17.484 -0.126 9.753 1.00 0.00 O ATOM 1557 CB GLU A 98 -19.010 0.903 12.403 1.00 0.00 C ATOM 1558 CG GLU A 98 -20.250 1.586 11.852 1.00 0.00 C ATOM 1559 CD GLU A 98 -21.483 1.325 12.694 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -21.529 1.807 13.845 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -22.403 0.638 12.202 1.00 0.00 O ATOM 0 H GLU A 98 -18.153 3.340 11.517 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.891 0.721 12.091 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.141 -0.177 12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.910 1.148 13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.074 2.660 11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.429 1.239 10.834 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.349 1.924 9.421 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.519 1.739 7.984 1.00 0.00 C ATOM 1570 C PHE A 99 -17.211 2.002 7.243 1.00 0.00 C ATOM 1571 O PHE A 99 -16.324 2.686 7.753 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.613 2.668 7.455 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.736 3.951 8.227 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.555 4.028 9.342 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -19.034 5.079 7.836 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -20.670 5.207 10.055 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -19.144 6.260 8.545 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.964 6.325 9.655 1.00 0.00 C ATOM 0 H PHE A 99 -18.650 2.835 9.767 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.814 0.704 7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.407 2.900 6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.568 2.144 7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -21.110 3.157 9.658 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.394 5.035 6.967 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -21.311 5.254 10.923 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.589 7.132 8.232 1.00 0.00 H new ATOM 0 HZ PHE A 99 -20.053 7.248 10.209 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.100 1.452 6.038 1.00 0.00 N ATOM 1589 CA GLN A 100 -15.900 1.626 5.228 1.00 0.00 C ATOM 1590 C GLN A 100 -16.248 2.194 3.856 1.00 0.00 C ATOM 1591 O GLN A 100 -17.184 1.736 3.202 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.168 0.292 5.070 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.038 -0.815 4.498 1.00 0.00 C ATOM 1594 CD GLN A 100 -16.229 -0.692 2.999 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -17.356 -0.711 2.502 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -15.127 -0.565 2.270 1.00 0.00 N ATOM 0 H GLN A 100 -17.825 0.883 5.602 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.246 2.333 5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.304 0.436 4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.788 -0.022 6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.586 -1.781 4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.012 -0.796 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.214 -0.554 2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.194 -0.478 1.256 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.487 3.196 3.425 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.731 3.811 2.133 1.00 0.00 C ATOM 1607 C GLY A 101 -15.387 2.890 0.979 1.00 0.00 C ATOM 1608 O GLY A 101 -14.698 1.887 1.161 1.00 0.00 O ATOM 0 H GLY A 101 -14.706 3.593 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.780 4.100 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.143 4.725 2.052 1.00 0.00 H new ATOM 1612 N MET A 102 -15.868 3.231 -0.212 1.00 0.00 N ATOM 1613 CA MET A 102 -15.607 2.427 -1.400 1.00 0.00 C ATOM 1614 C MET A 102 -14.204 1.832 -1.356 1.00 0.00 C ATOM 1615 O MET A 102 -13.257 2.481 -0.910 1.00 0.00 O ATOM 1616 CB MET A 102 -15.774 3.275 -2.662 1.00 0.00 C ATOM 1617 CG MET A 102 -14.849 4.481 -2.712 1.00 0.00 C ATOM 1618 SD MET A 102 -14.507 5.024 -4.396 1.00 0.00 S ATOM 1619 CE MET A 102 -16.147 5.493 -4.941 1.00 0.00 C ATOM 0 H MET A 102 -16.440 4.058 -0.380 1.00 0.00 H new ATOM 0 HA MET A 102 -16.328 1.610 -1.421 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.590 2.650 -3.536 1.00 0.00 H new ATOM 0 HB3 MET A 102 -16.807 3.617 -2.726 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.299 5.302 -2.154 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.910 4.235 -2.216 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.501 4.780 -5.686 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.827 5.495 -4.089 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.113 6.490 -5.381 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.076 0.593 -1.819 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.788 -0.090 -1.833 1.00 0.00 C ATOM 1631 C ASP A 103 -12.070 0.132 -3.160 1.00 0.00 C ATOM 1632 O ASP A 103 -12.662 -0.011 -4.230 1.00 0.00 O ATOM 1633 CB ASP A 103 -12.978 -1.587 -1.586 1.00 0.00 C ATOM 1634 CG ASP A 103 -13.900 -2.230 -2.603 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -13.457 -2.451 -3.749 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -15.064 -2.513 -2.252 1.00 0.00 O ATOM 0 H ASP A 103 -14.849 0.041 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.175 0.327 -1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.008 -2.083 -1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.384 -1.738 -0.586 1.00 0.00 H new ATOM 1641 N SER A 104 -10.790 0.483 -3.084 1.00 0.00 N ATOM 1642 CA SER A 104 -9.992 0.730 -4.279 1.00 0.00 C ATOM 1643 C SER A 104 -9.743 -0.567 -5.043 1.00 0.00 C ATOM 1644 O SER A 104 -10.027 -1.656 -4.546 1.00 0.00 O ATOM 1645 CB SER A 104 -8.658 1.377 -3.902 1.00 0.00 C ATOM 1646 OG SER A 104 -8.000 0.638 -2.888 1.00 0.00 O ATOM 0 H SER A 104 -10.283 0.603 -2.207 1.00 0.00 H new ATOM 0 HA SER A 104 -10.548 1.410 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.019 1.440 -4.783 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.829 2.397 -3.559 1.00 0.00 H new ATOM 0 HG SER A 104 -7.550 -0.136 -3.287 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.209 -0.440 -6.254 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.922 -1.602 -7.087 1.00 0.00 C ATOM 1654 C GLU A 105 -8.015 -2.587 -6.354 1.00 0.00 C ATOM 1655 O GLU A 105 -6.827 -2.328 -6.162 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.266 -1.167 -8.399 1.00 0.00 C ATOM 1657 CG GLU A 105 -8.984 -0.017 -9.086 1.00 0.00 C ATOM 1658 CD GLU A 105 -8.775 -0.014 -10.588 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -9.198 -0.985 -11.249 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -8.188 0.961 -11.102 1.00 0.00 O ATOM 0 H GLU A 105 -8.967 0.455 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.866 -2.100 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.235 -0.874 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.230 -2.019 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.051 -0.079 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.630 0.927 -8.672 1.00 0.00 H new ATOM 1667 N SER A 106 -8.584 -3.717 -5.947 1.00 0.00 N ATOM 1668 CA SER A 106 -7.829 -4.739 -5.232 1.00 0.00 C ATOM 1669 C SER A 106 -6.596 -5.159 -6.026 1.00 0.00 C ATOM 1670 O SER A 106 -6.706 -5.758 -7.096 1.00 0.00 O ATOM 1671 CB SER A 106 -8.713 -5.957 -4.957 1.00 0.00 C ATOM 1672 OG SER A 106 -9.874 -5.592 -4.233 1.00 0.00 O ATOM 0 H SER A 106 -9.566 -3.948 -6.100 1.00 0.00 H new ATOM 0 HA SER A 106 -7.501 -4.316 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.000 -6.422 -5.900 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.148 -6.700 -4.394 1.00 0.00 H new ATOM 0 HG SER A 106 -10.423 -6.388 -4.072 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.421 -4.840 -5.495 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.165 -5.184 -6.151 1.00 0.00 C ATOM 1680 C LYS A 107 -3.537 -6.418 -5.511 1.00 0.00 C ATOM 1681 O LYS A 107 -3.483 -6.536 -4.286 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.189 -4.007 -6.080 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.626 -2.805 -6.899 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.246 -2.959 -8.362 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.629 -1.729 -9.170 1.00 0.00 C ATOM 1686 NZ LYS A 107 -3.093 -1.788 -10.558 1.00 0.00 N ATOM 0 H LYS A 107 -5.312 -4.343 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.379 -5.408 -7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.073 -3.704 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.210 -4.336 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.705 -2.679 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.167 -1.902 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.173 -3.130 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.741 -3.837 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.715 -1.640 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.251 -0.836 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.376 -0.932 -11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.055 -1.847 -10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.473 -2.627 -11.042 1.00 0.00 H new ATOM 1700 N THR A 108 -3.061 -7.336 -6.347 1.00 0.00 N ATOM 1701 CA THR A 108 -2.436 -8.560 -5.862 1.00 0.00 C ATOM 1702 C THR A 108 -0.916 -8.456 -5.906 1.00 0.00 C ATOM 1703 O THR A 108 -0.337 -8.105 -6.934 1.00 0.00 O ATOM 1704 CB THR A 108 -2.880 -9.782 -6.689 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.992 -9.424 -8.071 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.212 -10.319 -6.188 1.00 0.00 C ATOM 0 H THR A 108 -3.097 -7.255 -7.363 1.00 0.00 H new ATOM 0 HA THR A 108 -2.758 -8.692 -4.829 1.00 0.00 H new ATOM 0 HB THR A 108 -2.127 -10.562 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.273 -10.206 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.505 -11.181 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.114 -10.618 -5.144 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.972 -9.543 -6.273 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.274 -8.764 -4.784 1.00 0.00 N ATOM 1715 CA VAL A 109 1.180 -8.707 -4.695 1.00 0.00 C ATOM 1716 C VAL A 109 1.779 -10.105 -4.582 1.00 0.00 C ATOM 1717 O VAL A 109 1.446 -10.862 -3.670 1.00 0.00 O ATOM 1718 CB VAL A 109 1.636 -7.866 -3.488 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.142 -8.484 -2.189 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.151 -7.725 -3.479 1.00 0.00 C ATOM 0 H VAL A 109 -0.738 -9.056 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 109 1.535 -8.236 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 109 1.202 -6.870 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.474 -7.876 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.053 -8.528 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.545 -9.492 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.456 -7.128 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.608 -8.713 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.476 -7.233 -4.396 1.00 0.00 H new ATOM 1730 N ARG A 110 2.665 -10.440 -5.514 1.00 0.00 N ATOM 1731 CA ARG A 110 3.311 -11.747 -5.519 1.00 0.00 C ATOM 1732 C ARG A 110 4.662 -11.689 -4.813 1.00 0.00 C ATOM 1733 O ARG A 110 5.642 -11.186 -5.363 1.00 0.00 O ATOM 1734 CB ARG A 110 3.495 -12.243 -6.955 1.00 0.00 C ATOM 1735 CG ARG A 110 3.465 -13.757 -7.085 1.00 0.00 C ATOM 1736 CD ARG A 110 3.484 -14.191 -8.542 1.00 0.00 C ATOM 1737 NE ARG A 110 4.817 -14.085 -9.128 1.00 0.00 N ATOM 1738 CZ ARG A 110 5.188 -14.724 -10.232 1.00 0.00 C ATOM 1739 NH1 ARG A 110 4.330 -15.510 -10.866 1.00 0.00 N ATOM 1740 NH2 ARG A 110 6.420 -14.576 -10.703 1.00 0.00 N ATOM 0 H ARG A 110 2.952 -9.825 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 110 2.669 -12.444 -4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.710 -11.817 -7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.445 -11.873 -7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.322 -14.185 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.571 -14.147 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.136 -15.221 -8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.788 -13.576 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 110 5.501 -13.487 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.382 -15.625 -10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.617 -16.000 -11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.082 -13.971 -10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.704 -15.067 -11.551 1.00 0.00 H new ATOM 1754 N THR A 111 4.707 -12.208 -3.589 1.00 0.00 N ATOM 1755 CA THR A 111 5.937 -12.214 -2.806 1.00 0.00 C ATOM 1756 C THR A 111 6.896 -13.292 -3.297 1.00 0.00 C ATOM 1757 O THR A 111 6.684 -14.482 -3.059 1.00 0.00 O ATOM 1758 CB THR A 111 5.649 -12.441 -1.310 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.973 -13.689 -1.126 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.802 -11.311 -0.744 1.00 0.00 C ATOM 0 H THR A 111 3.906 -12.629 -3.119 1.00 0.00 H new ATOM 0 HA THR A 111 6.399 -11.235 -2.935 1.00 0.00 H new ATOM 0 HB THR A 111 6.600 -12.461 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.919 -13.894 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.612 -11.494 0.314 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.332 -10.366 -0.859 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.854 -11.263 -1.280 1.00 0.00 H new ATOM 1768 N THR A 112 7.953 -12.869 -3.984 1.00 0.00 N ATOM 1769 CA THR A 112 8.945 -13.799 -4.509 1.00 0.00 C ATOM 1770 C THR A 112 9.418 -14.765 -3.429 1.00 0.00 C ATOM 1771 O THR A 112 9.194 -14.540 -2.241 1.00 0.00 O ATOM 1772 CB THR A 112 10.163 -13.054 -5.086 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.130 -13.995 -5.566 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.799 -12.159 -4.033 1.00 0.00 C ATOM 0 H THR A 112 8.144 -11.888 -4.190 1.00 0.00 H new ATOM 0 HA THR A 112 8.461 -14.361 -5.308 1.00 0.00 H new ATOM 0 HB THR A 112 9.822 -12.430 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.901 -13.514 -5.933 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.657 -11.643 -4.464 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.069 -11.425 -3.690 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.127 -12.766 -3.189 1.00 0.00 H new ATOM 1782 N GLU A 113 10.075 -15.842 -3.851 1.00 0.00 N ATOM 1783 CA GLU A 113 10.580 -16.842 -2.918 1.00 0.00 C ATOM 1784 C GLU A 113 12.063 -17.111 -3.159 1.00 0.00 C ATOM 1785 O GLU A 113 12.506 -17.221 -4.301 1.00 0.00 O ATOM 1786 CB GLU A 113 9.786 -18.143 -3.052 1.00 0.00 C ATOM 1787 CG GLU A 113 9.855 -18.759 -4.439 1.00 0.00 C ATOM 1788 CD GLU A 113 8.809 -18.195 -5.381 1.00 0.00 C ATOM 1789 OE1 GLU A 113 7.654 -18.668 -5.337 1.00 0.00 O ATOM 1790 OE2 GLU A 113 9.145 -17.279 -6.160 1.00 0.00 O ATOM 0 H GLU A 113 10.269 -16.043 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 113 10.459 -16.453 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.160 -18.864 -2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.743 -17.950 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.846 -18.589 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.723 -19.838 -4.360 1.00 0.00 H new ATOM 1797 N GLU A 114 12.823 -17.215 -2.073 1.00 0.00 N ATOM 1798 CA GLU A 114 14.256 -17.470 -2.167 1.00 0.00 C ATOM 1799 C GLU A 114 14.892 -16.609 -3.254 1.00 0.00 C ATOM 1800 O GLU A 114 15.774 -17.062 -3.983 1.00 0.00 O ATOM 1801 CB GLU A 114 14.516 -18.950 -2.456 1.00 0.00 C ATOM 1802 CG GLU A 114 15.838 -19.455 -1.904 1.00 0.00 C ATOM 1803 CD GLU A 114 15.922 -20.969 -1.885 1.00 0.00 C ATOM 1804 OE1 GLU A 114 15.187 -21.595 -1.094 1.00 0.00 O ATOM 1805 OE2 GLU A 114 16.724 -21.527 -2.663 1.00 0.00 O ATOM 0 H GLU A 114 12.471 -17.127 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 114 14.708 -17.209 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 114 13.705 -19.542 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.497 -19.110 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.655 -19.057 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.974 -19.075 -0.892 1.00 0.00 H new ATOM 1812 N SER A 115 14.437 -15.364 -3.356 1.00 0.00 N ATOM 1813 CA SER A 115 14.957 -14.440 -4.357 1.00 0.00 C ATOM 1814 C SER A 115 16.459 -14.236 -4.180 1.00 0.00 C ATOM 1815 O SER A 115 16.924 -13.867 -3.102 1.00 0.00 O ATOM 1816 CB SER A 115 14.234 -13.095 -4.265 1.00 0.00 C ATOM 1817 OG SER A 115 14.801 -12.279 -3.254 1.00 0.00 O ATOM 0 H SER A 115 13.710 -14.972 -2.758 1.00 0.00 H new ATOM 0 HA SER A 115 14.780 -14.873 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 115 14.290 -12.582 -5.225 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.178 -13.260 -4.053 1.00 0.00 H new ATOM 0 HG SER A 115 15.496 -12.781 -2.780 1.00 0.00 H new ATOM 1823 N GLY A 116 17.213 -14.479 -5.247 1.00 0.00 N ATOM 1824 CA GLY A 116 18.654 -14.318 -5.190 1.00 0.00 C ATOM 1825 C GLY A 116 19.066 -13.012 -4.540 1.00 0.00 C ATOM 1826 O GLY A 116 18.961 -11.938 -5.133 1.00 0.00 O ATOM 0 H GLY A 116 16.852 -14.785 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 116 19.088 -15.149 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 116 19.062 -14.362 -6.200 1.00 0.00 H new ATOM 1830 N PRO A 117 19.545 -13.094 -3.290 1.00 0.00 N ATOM 1831 CA PRO A 117 19.983 -11.918 -2.531 1.00 0.00 C ATOM 1832 C PRO A 117 21.266 -11.313 -3.089 1.00 0.00 C ATOM 1833 O PRO A 117 22.357 -11.843 -2.877 1.00 0.00 O ATOM 1834 CB PRO A 117 20.220 -12.473 -1.124 1.00 0.00 C ATOM 1835 CG PRO A 117 20.515 -13.918 -1.331 1.00 0.00 C ATOM 1836 CD PRO A 117 19.699 -14.341 -2.521 1.00 0.00 C ATOM 0 HA PRO A 117 19.250 -11.112 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 117 21.051 -11.966 -0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 117 19.343 -12.335 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 117 21.578 -14.077 -1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 117 20.250 -14.501 -0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 117 20.206 -15.112 -3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 117 18.734 -14.750 -2.222 1.00 0.00 H new ATOM 1844 N SER A 118 21.129 -10.200 -3.802 1.00 0.00 N ATOM 1845 CA SER A 118 22.278 -9.524 -4.393 1.00 0.00 C ATOM 1846 C SER A 118 21.927 -8.089 -4.775 1.00 0.00 C ATOM 1847 O SER A 118 20.819 -7.811 -5.235 1.00 0.00 O ATOM 1848 CB SER A 118 22.767 -10.287 -5.626 1.00 0.00 C ATOM 1849 OG SER A 118 23.479 -11.454 -5.253 1.00 0.00 O ATOM 0 H SER A 118 20.234 -9.747 -3.985 1.00 0.00 H new ATOM 0 HA SER A 118 23.075 -9.499 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 118 21.916 -10.560 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 118 23.408 -9.642 -6.226 1.00 0.00 H new ATOM 0 HG SER A 118 23.420 -11.577 -4.282 1.00 0.00 H new ATOM 1855 N SER A 119 22.879 -7.182 -4.581 1.00 0.00 N ATOM 1856 CA SER A 119 22.670 -5.775 -4.902 1.00 0.00 C ATOM 1857 C SER A 119 23.723 -5.280 -5.889 1.00 0.00 C ATOM 1858 O SER A 119 24.920 -5.491 -5.695 1.00 0.00 O ATOM 1859 CB SER A 119 22.712 -4.928 -3.628 1.00 0.00 C ATOM 1860 OG SER A 119 21.481 -4.998 -2.929 1.00 0.00 O ATOM 0 H SER A 119 23.802 -7.396 -4.203 1.00 0.00 H new ATOM 0 HA SER A 119 21.688 -5.676 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 119 23.520 -5.274 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 119 22.930 -3.891 -3.884 1.00 0.00 H new ATOM 0 HG SER A 119 21.534 -4.450 -2.118 1.00 0.00 H new ATOM 1866 N GLY A 120 23.267 -4.622 -6.950 1.00 0.00 N ATOM 1867 CA GLY A 120 24.182 -4.107 -7.953 1.00 0.00 C ATOM 1868 C GLY A 120 25.445 -3.531 -7.345 1.00 0.00 C ATOM 1869 O GLY A 120 25.824 -2.398 -7.643 1.00 0.00 O ATOM 0 H GLY A 120 22.281 -4.436 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 120 24.447 -4.908 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 120 23.679 -3.336 -8.537 1.00 0.00 H new TER 1873 GLY A 120