USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 797 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 53 GLN : amide:sc= -2.65 X(o=-4.4,f=-4.1) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= -1.79 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= -0.222 (180deg=-1.4!) 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 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.655 X(o=-0.66,f=-0.19) USER MOD Single : A 22 HIS : no HD1:sc= -2.73! K(o=-2.7!,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 91:sc= 0.00697 USER MOD Single : A 34 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-5.2!) USER MOD Single : A 35 ASN : amide:sc= -7.21! C(o=-7.2!,f=-4.2!) USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.026) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 40 SER OG : rot 180:sc= -0.383 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 58:sc= 1.21 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.29! C(o=-1.3!,f=-2.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= -1.99 (180deg=-3.09) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= 1.87 (180deg=1.21) USER MOD Single : A 85 MET CE :methyl 174:sc= -13.2! (180deg=-13.7!) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0367) USER MOD Single : A 91 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ 142:sc= -2.24 (180deg=-5.17!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.671 -40.212 -1.837 1.00 0.00 N ATOM 2 CA MET A 1 -15.703 -40.683 -0.867 1.00 0.00 C ATOM 3 C MET A 1 -14.391 -39.930 -1.037 1.00 0.00 C ATOM 4 O MET A 1 -13.848 -39.860 -2.137 1.00 0.00 O ATOM 5 CB MET A 1 -15.491 -42.183 -1.048 1.00 0.00 C ATOM 6 CG MET A 1 -15.147 -42.476 -2.506 1.00 0.00 C ATOM 7 SD MET A 1 -16.307 -43.600 -3.323 1.00 0.00 S ATOM 8 CE MET A 1 -16.184 -42.964 -5.014 1.00 0.00 C ATOM 0 H1 MET A 1 -17.269 -41.006 -2.145 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.267 -39.477 -1.404 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.173 -39.814 -2.659 1.00 0.00 H new ATOM 0 HA MET A 1 -16.076 -40.500 0.141 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.688 -42.529 -0.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.391 -42.726 -0.759 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.117 -41.536 -3.058 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.146 -42.905 -2.554 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.838 -43.541 -5.668 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.486 -41.917 -5.032 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.155 -43.051 -5.361 1.00 0.00 H new ATOM 20 N SER A 2 -13.881 -39.365 0.060 1.00 0.00 N ATOM 21 CA SER A 2 -12.636 -38.623 0.028 1.00 0.00 C ATOM 22 C SER A 2 -12.735 -37.492 -0.986 1.00 0.00 C ATOM 23 O SER A 2 -12.422 -37.679 -2.161 1.00 0.00 O ATOM 24 CB SER A 2 -11.490 -39.568 -0.324 1.00 0.00 C ATOM 25 OG SER A 2 -10.847 -39.987 0.859 1.00 0.00 O ATOM 0 H SER A 2 -14.319 -39.412 0.980 1.00 0.00 H new ATOM 0 HA SER A 2 -12.442 -38.188 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.871 -40.432 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.778 -39.066 -0.979 1.00 0.00 H new ATOM 0 HG SER A 2 -10.112 -40.595 0.634 1.00 0.00 H new ATOM 31 N SER A 3 -13.170 -36.316 -0.530 1.00 0.00 N ATOM 32 CA SER A 3 -13.306 -35.164 -1.397 1.00 0.00 C ATOM 33 C SER A 3 -12.755 -33.926 -0.702 1.00 0.00 C ATOM 34 O SER A 3 -12.794 -33.830 0.524 1.00 0.00 O ATOM 35 CB SER A 3 -14.775 -34.971 -1.760 1.00 0.00 C ATOM 36 OG SER A 3 -14.994 -35.412 -3.081 1.00 0.00 O ATOM 0 H SER A 3 -13.433 -36.145 0.441 1.00 0.00 H new ATOM 0 HA SER A 3 -12.737 -35.325 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.408 -35.529 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.049 -33.920 -1.666 1.00 0.00 H new ATOM 0 HG SER A 3 -15.938 -35.290 -3.314 1.00 0.00 H new ATOM 42 N ASP A 4 -12.242 -32.978 -1.487 1.00 0.00 N ATOM 43 CA ASP A 4 -11.687 -31.753 -0.946 1.00 0.00 C ATOM 44 C ASP A 4 -12.394 -30.553 -1.559 1.00 0.00 C ATOM 45 O ASP A 4 -13.150 -30.697 -2.517 1.00 0.00 O ATOM 46 CB ASP A 4 -10.190 -31.704 -1.233 1.00 0.00 C ATOM 47 CG ASP A 4 -9.468 -30.838 -0.210 1.00 0.00 C ATOM 48 OD1 ASP A 4 -9.369 -31.293 0.950 1.00 0.00 O ATOM 49 OD2 ASP A 4 -9.029 -29.737 -0.607 1.00 0.00 O ATOM 0 H ASP A 4 -12.203 -33.043 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.837 -31.726 0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.779 -32.713 -1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.021 -31.308 -2.234 1.00 0.00 H new ATOM 54 N GLY A 5 -12.147 -29.364 -1.003 1.00 0.00 N ATOM 55 CA GLY A 5 -12.761 -28.149 -1.500 1.00 0.00 C ATOM 56 C GLY A 5 -11.772 -26.994 -1.437 1.00 0.00 C ATOM 57 O GLY A 5 -10.641 -27.162 -0.989 1.00 0.00 O ATOM 0 H GLY A 5 -11.524 -29.226 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.094 -28.296 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.645 -27.912 -0.909 1.00 0.00 H new ATOM 61 N GLY A 6 -12.203 -25.814 -1.891 1.00 0.00 N ATOM 62 CA GLY A 6 -11.355 -24.640 -1.884 1.00 0.00 C ATOM 63 C GLY A 6 -11.834 -23.636 -2.924 1.00 0.00 C ATOM 64 O GLY A 6 -11.235 -23.509 -3.990 1.00 0.00 O ATOM 0 H GLY A 6 -13.138 -25.656 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.365 -24.182 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.324 -24.926 -2.093 1.00 0.00 H new ATOM 68 N PRO A 7 -12.918 -22.924 -2.611 1.00 0.00 N ATOM 69 CA PRO A 7 -13.516 -21.926 -3.472 1.00 0.00 C ATOM 70 C PRO A 7 -12.628 -20.690 -3.513 1.00 0.00 C ATOM 71 O PRO A 7 -11.634 -20.613 -2.795 1.00 0.00 O ATOM 72 CB PRO A 7 -14.864 -21.611 -2.829 1.00 0.00 C ATOM 73 CG PRO A 7 -14.596 -21.854 -1.345 1.00 0.00 C ATOM 74 CD PRO A 7 -13.646 -23.049 -1.367 1.00 0.00 C ATOM 0 HA PRO A 7 -13.634 -22.268 -4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.174 -20.584 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.654 -22.258 -3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.143 -20.985 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -15.513 -22.076 -0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.971 -23.033 -0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.194 -23.990 -1.323 1.00 0.00 H new ATOM 82 N VAL A 8 -12.990 -19.722 -4.357 1.00 0.00 N ATOM 83 CA VAL A 8 -12.226 -18.498 -4.490 1.00 0.00 C ATOM 84 C VAL A 8 -13.133 -17.298 -4.251 1.00 0.00 C ATOM 85 O VAL A 8 -14.310 -17.329 -4.608 1.00 0.00 O ATOM 86 CB VAL A 8 -11.600 -18.436 -5.880 1.00 0.00 C ATOM 87 CG1 VAL A 8 -10.823 -17.131 -6.031 1.00 0.00 C ATOM 88 CG2 VAL A 8 -10.652 -19.617 -6.063 1.00 0.00 C ATOM 0 H VAL A 8 -13.813 -19.771 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.428 -18.480 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.385 -18.480 -6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.376 -17.087 -7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.500 -16.287 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.037 -17.086 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.204 -19.574 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.867 -19.573 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.207 -20.549 -5.956 1.00 0.00 H new ATOM 98 N LEU A 9 -12.581 -16.243 -3.650 1.00 0.00 N ATOM 99 CA LEU A 9 -13.342 -15.029 -3.352 1.00 0.00 C ATOM 100 C LEU A 9 -12.465 -13.947 -2.716 1.00 0.00 C ATOM 101 O LEU A 9 -11.544 -14.240 -1.956 1.00 0.00 O ATOM 102 CB LEU A 9 -14.508 -15.370 -2.420 1.00 0.00 C ATOM 103 CG LEU A 9 -15.902 -14.989 -2.962 1.00 0.00 C ATOM 104 CD1 LEU A 9 -16.923 -16.090 -2.690 1.00 0.00 C ATOM 105 CD2 LEU A 9 -16.378 -13.671 -2.361 1.00 0.00 C ATOM 0 H LEU A 9 -11.604 -16.205 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.722 -14.632 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.492 -16.441 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.353 -14.864 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.811 -14.868 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.894 -15.791 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.602 -17.012 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.003 -16.255 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.362 -13.424 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.438 -13.766 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.674 -12.879 -2.617 1.00 0.00 H new ATOM 117 N GLY A 10 -12.763 -12.687 -3.041 1.00 0.00 N ATOM 118 CA GLY A 10 -12.010 -11.567 -2.513 1.00 0.00 C ATOM 119 C GLY A 10 -12.925 -10.641 -1.724 1.00 0.00 C ATOM 120 O GLY A 10 -14.078 -10.976 -1.459 1.00 0.00 O ATOM 0 H GLY A 10 -13.523 -12.425 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.207 -11.930 -1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.542 -11.018 -3.330 1.00 0.00 H new ATOM 124 N GLY A 11 -12.406 -9.470 -1.348 1.00 0.00 N ATOM 125 CA GLY A 11 -13.178 -8.503 -0.591 1.00 0.00 C ATOM 126 C GLY A 11 -12.356 -7.247 -0.346 1.00 0.00 C ATOM 127 O GLY A 11 -11.185 -7.327 0.021 1.00 0.00 O ATOM 0 H GLY A 11 -11.453 -9.175 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.089 -8.250 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.484 -8.937 0.361 1.00 0.00 H new ATOM 131 N VAL A 12 -12.973 -6.080 -0.552 1.00 0.00 N ATOM 132 CA VAL A 12 -12.299 -4.814 -0.353 1.00 0.00 C ATOM 133 C VAL A 12 -12.976 -4.040 0.770 1.00 0.00 C ATOM 134 O VAL A 12 -14.078 -3.524 0.594 1.00 0.00 O ATOM 135 CB VAL A 12 -12.327 -4.014 -1.653 1.00 0.00 C ATOM 136 CG1 VAL A 12 -11.684 -2.650 -1.426 1.00 0.00 C ATOM 137 CG2 VAL A 12 -11.552 -4.769 -2.730 1.00 0.00 C ATOM 0 H VAL A 12 -13.942 -5.996 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.261 -4.991 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.360 -3.879 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.704 -2.079 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.236 -2.111 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.651 -2.784 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.571 -4.199 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.519 -4.904 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.011 -5.744 -2.893 1.00 0.00 H new ATOM 147 N GLU A 13 -12.314 -3.961 1.925 1.00 0.00 N ATOM 148 CA GLU A 13 -12.855 -3.251 3.068 1.00 0.00 C ATOM 149 C GLU A 13 -12.168 -1.901 3.212 1.00 0.00 C ATOM 150 O GLU A 13 -11.101 -1.804 3.816 1.00 0.00 O ATOM 151 CB GLU A 13 -12.665 -4.092 4.325 1.00 0.00 C ATOM 152 CG GLU A 13 -14.007 -4.680 4.753 1.00 0.00 C ATOM 153 CD GLU A 13 -14.996 -3.576 5.102 1.00 0.00 C ATOM 154 OE1 GLU A 13 -14.775 -2.925 6.145 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.954 -3.405 4.318 1.00 0.00 O ATOM 0 H GLU A 13 -11.400 -4.384 2.087 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.921 -3.078 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.950 -4.892 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.253 -3.479 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.412 -5.296 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.865 -5.332 5.615 1.00 0.00 H new ATOM 162 N PRO A 14 -12.783 -0.854 2.656 1.00 0.00 N ATOM 163 CA PRO A 14 -12.282 0.502 2.695 1.00 0.00 C ATOM 164 C PRO A 14 -12.441 1.066 4.100 1.00 0.00 C ATOM 165 O PRO A 14 -13.560 1.281 4.561 1.00 0.00 O ATOM 166 CB PRO A 14 -13.147 1.268 1.696 1.00 0.00 C ATOM 167 CG PRO A 14 -14.477 0.520 1.757 1.00 0.00 C ATOM 168 CD PRO A 14 -14.037 -0.932 1.938 1.00 0.00 C ATOM 0 HA PRO A 14 -11.224 0.570 2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.259 2.315 1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.719 1.251 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.096 0.862 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.060 0.656 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.778 -1.503 2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.911 -1.430 0.976 1.00 0.00 H new ATOM 176 N VAL A 15 -11.318 1.303 4.781 1.00 0.00 N ATOM 177 CA VAL A 15 -11.338 1.837 6.128 1.00 0.00 C ATOM 178 C VAL A 15 -9.915 2.114 6.593 1.00 0.00 C ATOM 179 O VAL A 15 -8.998 2.193 5.780 1.00 0.00 O ATOM 180 CB VAL A 15 -12.028 0.844 7.058 1.00 0.00 C ATOM 181 CG1 VAL A 15 -11.032 -0.232 7.482 1.00 0.00 C ATOM 182 CG2 VAL A 15 -12.542 1.576 8.293 1.00 0.00 C ATOM 0 H VAL A 15 -10.383 1.130 4.412 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.894 2.775 6.144 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.865 0.380 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.524 -0.942 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.665 -0.756 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.195 0.232 8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.035 0.867 8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.706 2.041 8.815 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.253 2.345 7.991 1.00 0.00 H new ATOM 192 N GLY A 16 -9.733 2.261 7.907 1.00 0.00 N ATOM 193 CA GLY A 16 -8.425 2.527 8.468 1.00 0.00 C ATOM 194 C GLY A 16 -7.930 3.897 8.026 1.00 0.00 C ATOM 195 O GLY A 16 -8.109 4.284 6.873 1.00 0.00 O ATOM 0 H GLY A 16 -10.482 2.199 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.473 2.484 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.721 1.758 8.149 1.00 0.00 H new ATOM 199 N ASN A 17 -7.303 4.632 8.949 1.00 0.00 N ATOM 200 CA ASN A 17 -6.786 5.952 8.650 1.00 0.00 C ATOM 201 C ASN A 17 -5.297 6.008 8.961 1.00 0.00 C ATOM 202 O ASN A 17 -4.583 5.023 8.778 1.00 0.00 O ATOM 203 CB ASN A 17 -7.548 6.991 9.468 1.00 0.00 C ATOM 204 CG ASN A 17 -9.050 6.817 9.305 1.00 0.00 C ATOM 205 OD1 ASN A 17 -9.597 7.094 8.240 1.00 0.00 O ATOM 206 ND2 ASN A 17 -9.718 6.352 10.364 1.00 0.00 N ATOM 0 H ASN A 17 -7.146 4.326 9.909 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.923 6.169 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.280 6.899 10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.258 7.993 9.151 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.727 6.213 10.310 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.219 6.136 11.227 1.00 0.00 H new ATOM 213 N GLU A 18 -4.829 7.166 9.431 1.00 0.00 N ATOM 214 CA GLU A 18 -3.429 7.343 9.764 1.00 0.00 C ATOM 215 C GLU A 18 -3.190 6.960 11.217 1.00 0.00 C ATOM 216 O GLU A 18 -2.069 6.628 11.600 1.00 0.00 O ATOM 217 CB GLU A 18 -3.028 8.794 9.515 1.00 0.00 C ATOM 218 CG GLU A 18 -3.803 9.707 10.461 1.00 0.00 C ATOM 219 CD GLU A 18 -3.669 11.164 10.042 1.00 0.00 C ATOM 220 OE1 GLU A 18 -4.309 11.525 9.031 1.00 0.00 O ATOM 221 OE2 GLU A 18 -2.930 11.889 10.741 1.00 0.00 O ATOM 0 H GLU A 18 -5.407 7.992 9.587 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.818 6.696 9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.956 8.918 9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.234 9.067 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.855 9.422 10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.433 9.582 11.478 1.00 0.00 H new ATOM 228 N ASN A 19 -4.248 7.006 12.030 1.00 0.00 N ATOM 229 CA ASN A 19 -4.147 6.664 13.434 1.00 0.00 C ATOM 230 C ASN A 19 -3.620 5.244 13.585 1.00 0.00 C ATOM 231 O ASN A 19 -2.984 4.917 14.584 1.00 0.00 O ATOM 232 CB ASN A 19 -5.520 6.802 14.089 1.00 0.00 C ATOM 233 CG ASN A 19 -5.645 8.139 14.806 1.00 0.00 C ATOM 234 OD1 ASN A 19 -6.649 8.832 14.658 1.00 0.00 O ATOM 235 ND2 ASN A 19 -4.624 8.498 15.588 1.00 0.00 N ATOM 0 H ASN A 19 -5.184 7.279 11.730 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.451 7.342 13.927 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.299 6.716 13.332 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.673 5.988 14.798 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.656 9.382 16.095 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.812 7.888 15.678 1.00 0.00 H new ATOM 242 N ASP A 20 -3.886 4.399 12.586 1.00 0.00 N ATOM 243 CA ASP A 20 -3.440 3.021 12.610 1.00 0.00 C ATOM 244 C ASP A 20 -1.990 2.941 12.151 1.00 0.00 C ATOM 245 O ASP A 20 -1.726 2.740 10.965 1.00 0.00 O ATOM 246 CB ASP A 20 -4.340 2.179 11.711 1.00 0.00 C ATOM 247 CG ASP A 20 -5.749 2.751 11.663 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.968 3.651 10.823 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.581 2.280 12.467 1.00 0.00 O ATOM 0 H ASP A 20 -4.411 4.655 11.750 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.501 2.632 13.627 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.924 2.143 10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.372 1.154 12.080 1.00 0.00 H new ATOM 254 N LEU A 21 -1.057 3.098 13.088 1.00 0.00 N ATOM 255 CA LEU A 21 0.374 3.057 12.781 1.00 0.00 C ATOM 256 C LEU A 21 0.712 1.949 11.780 1.00 0.00 C ATOM 257 O LEU A 21 1.470 2.169 10.836 1.00 0.00 O ATOM 258 CB LEU A 21 1.171 2.855 14.072 1.00 0.00 C ATOM 259 CG LEU A 21 0.799 1.588 14.872 1.00 0.00 C ATOM 260 CD1 LEU A 21 1.995 0.650 15.012 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.253 1.954 16.247 1.00 0.00 C ATOM 0 H LEU A 21 -1.267 3.256 14.074 1.00 0.00 H new ATOM 0 HA LEU A 21 0.645 4.008 12.322 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.232 2.813 13.825 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.027 3.726 14.711 1.00 0.00 H new ATOM 0 HG LEU A 21 0.020 1.066 14.316 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.701 -0.233 15.580 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.338 0.347 14.023 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.802 1.165 15.534 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.002 1.045 16.791 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.009 2.510 16.802 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.639 2.570 16.132 1.00 0.00 H new ATOM 273 N HIS A 22 0.142 0.761 12.006 1.00 0.00 N ATOM 274 CA HIS A 22 0.360 -0.396 11.136 1.00 0.00 C ATOM 275 C HIS A 22 0.064 -0.030 9.670 1.00 0.00 C ATOM 276 O HIS A 22 0.946 -0.174 8.821 1.00 0.00 O ATOM 277 CB HIS A 22 -0.504 -1.577 11.594 1.00 0.00 C ATOM 278 CG HIS A 22 -0.369 -2.783 10.714 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.425 -4.074 11.194 1.00 0.00 N ATOM 280 CD2 HIS A 22 -0.169 -2.889 9.378 1.00 0.00 C ATOM 281 CE1 HIS A 22 -0.266 -4.922 10.194 1.00 0.00 C ATOM 282 NE2 HIS A 22 -0.110 -4.229 9.083 1.00 0.00 N ATOM 0 H HIS A 22 -0.480 0.576 12.793 1.00 0.00 H new ATOM 0 HA HIS A 22 1.406 -0.694 11.204 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.229 -1.846 12.614 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.549 -1.267 11.617 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.074 -2.073 8.677 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.264 -5.999 10.273 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.032 -4.625 8.154 1.00 0.00 H new ATOM 291 N LEU A 23 -1.156 0.420 9.381 1.00 0.00 N ATOM 292 CA LEU A 23 -1.558 0.773 8.020 1.00 0.00 C ATOM 293 C LEU A 23 -0.584 1.760 7.372 1.00 0.00 C ATOM 294 O LEU A 23 -0.042 1.507 6.299 1.00 0.00 O ATOM 295 CB LEU A 23 -2.969 1.368 8.037 1.00 0.00 C ATOM 296 CG LEU A 23 -4.073 0.401 8.513 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.766 -0.274 7.333 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.506 -0.649 9.462 1.00 0.00 C ATOM 0 H LEU A 23 -1.889 0.550 10.078 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.546 -0.139 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.970 2.245 8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.215 1.712 7.032 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.815 0.992 9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.538 -0.949 7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.221 0.484 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.034 -0.840 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.304 -1.318 9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.735 -1.224 8.950 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.073 -0.157 10.333 1.00 0.00 H new ATOM 310 N VAL A 24 -0.371 2.895 8.042 1.00 0.00 N ATOM 311 CA VAL A 24 0.522 3.922 7.544 1.00 0.00 C ATOM 312 C VAL A 24 1.900 3.326 7.292 1.00 0.00 C ATOM 313 O VAL A 24 2.484 3.534 6.231 1.00 0.00 O ATOM 314 CB VAL A 24 0.603 5.061 8.557 1.00 0.00 C ATOM 315 CG1 VAL A 24 1.940 5.780 8.408 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.536 6.045 8.306 1.00 0.00 C ATOM 0 H VAL A 24 -0.811 3.119 8.934 1.00 0.00 H new ATOM 0 HA VAL A 24 0.140 4.318 6.603 1.00 0.00 H new ATOM 0 HB VAL A 24 0.519 4.658 9.566 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.998 6.593 9.131 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.753 5.077 8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.025 6.184 7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.479 6.859 9.029 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.452 6.449 7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.491 5.531 8.413 1.00 0.00 H new ATOM 326 N ASP A 25 2.420 2.582 8.271 1.00 0.00 N ATOM 327 CA ASP A 25 3.724 1.962 8.151 1.00 0.00 C ATOM 328 C ASP A 25 3.897 1.396 6.749 1.00 0.00 C ATOM 329 O ASP A 25 4.945 1.582 6.129 1.00 0.00 O ATOM 330 CB ASP A 25 3.861 0.861 9.198 1.00 0.00 C ATOM 331 CG ASP A 25 5.271 0.288 9.204 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.208 1.090 9.412 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.386 -0.939 9.000 1.00 0.00 O ATOM 0 H ASP A 25 1.948 2.399 9.157 1.00 0.00 H new ATOM 0 HA ASP A 25 4.502 2.706 8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.622 1.260 10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.143 0.067 8.993 1.00 0.00 H new ATOM 338 N LEU A 26 2.870 0.707 6.251 1.00 0.00 N ATOM 339 CA LEU A 26 2.909 0.100 4.920 1.00 0.00 C ATOM 340 C LEU A 26 3.142 1.140 3.823 1.00 0.00 C ATOM 341 O LEU A 26 4.090 1.041 3.045 1.00 0.00 O ATOM 342 CB LEU A 26 1.599 -0.649 4.659 1.00 0.00 C ATOM 343 CG LEU A 26 1.263 -1.747 5.691 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.886 -3.056 5.003 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.429 -1.972 6.645 1.00 0.00 C ATOM 0 H LEU A 26 1.995 0.555 6.753 1.00 0.00 H new ATOM 0 HA LEU A 26 3.748 -0.596 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.782 0.073 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.648 -1.103 3.669 1.00 0.00 H new ATOM 0 HG LEU A 26 0.404 -1.403 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.655 -3.809 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.013 -2.896 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.720 -3.399 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.167 -2.750 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.308 -2.281 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.647 -1.046 7.177 1.00 0.00 H new ATOM 357 N ALA A 27 2.260 2.140 3.766 1.00 0.00 N ATOM 358 CA ALA A 27 2.357 3.190 2.773 1.00 0.00 C ATOM 359 C ALA A 27 3.702 3.891 2.894 1.00 0.00 C ATOM 360 O ALA A 27 4.416 4.044 1.905 1.00 0.00 O ATOM 361 CB ALA A 27 1.212 4.180 2.968 1.00 0.00 C ATOM 0 H ALA A 27 1.470 2.237 4.403 1.00 0.00 H new ATOM 0 HA ALA A 27 2.282 2.760 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.284 4.971 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.260 3.661 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.274 4.616 3.965 1.00 0.00 H new ATOM 367 N ARG A 28 4.047 4.319 4.110 1.00 0.00 N ATOM 368 CA ARG A 28 5.302 5.001 4.354 1.00 0.00 C ATOM 369 C ARG A 28 6.463 4.110 3.938 1.00 0.00 C ATOM 370 O ARG A 28 7.490 4.600 3.473 1.00 0.00 O ATOM 371 CB ARG A 28 5.403 5.365 5.833 1.00 0.00 C ATOM 372 CG ARG A 28 4.801 6.749 6.058 1.00 0.00 C ATOM 373 CD ARG A 28 5.758 7.588 6.901 1.00 0.00 C ATOM 374 NE ARG A 28 6.025 8.878 6.263 1.00 0.00 N ATOM 375 CZ ARG A 28 6.359 9.975 6.957 1.00 0.00 C ATOM 376 NH1 ARG A 28 6.462 9.918 8.292 1.00 0.00 N ATOM 377 NH2 ARG A 28 6.591 11.128 6.316 1.00 0.00 N ATOM 0 H ARG A 28 3.466 4.200 4.940 1.00 0.00 H new ATOM 0 HA ARG A 28 5.343 5.917 3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.878 4.625 6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.446 5.354 6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.618 7.238 5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.838 6.661 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.331 7.749 7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.694 7.047 7.042 1.00 0.00 H new ATOM 0 HE ARG A 28 5.954 8.945 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.286 9.040 8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.716 10.753 8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.513 11.171 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.845 11.963 6.844 1.00 0.00 H new ATOM 391 N PHE A 29 6.298 2.795 4.105 1.00 0.00 N ATOM 392 CA PHE A 29 7.331 1.846 3.745 1.00 0.00 C ATOM 393 C PHE A 29 7.520 1.834 2.235 1.00 0.00 C ATOM 394 O PHE A 29 8.648 1.819 1.747 1.00 0.00 O ATOM 395 CB PHE A 29 6.945 0.459 4.254 1.00 0.00 C ATOM 396 CG PHE A 29 7.562 -0.667 3.459 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.942 -0.685 3.226 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.754 -1.693 2.955 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.515 -1.728 2.488 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.326 -2.736 2.217 1.00 0.00 C ATOM 401 CZ PHE A 29 8.706 -2.754 1.984 1.00 0.00 C ATOM 0 H PHE A 29 5.453 2.372 4.489 1.00 0.00 H new ATOM 0 HA PHE A 29 8.275 2.138 4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.248 0.366 5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.860 0.360 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.565 0.106 3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.689 -1.680 3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.580 -1.741 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.702 -3.527 1.827 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.147 -3.559 1.415 1.00 0.00 H new ATOM 411 N ALA A 30 6.410 1.841 1.494 1.00 0.00 N ATOM 412 CA ALA A 30 6.457 1.829 0.046 1.00 0.00 C ATOM 413 C ALA A 30 7.398 2.919 -0.447 1.00 0.00 C ATOM 414 O ALA A 30 8.460 2.626 -0.991 1.00 0.00 O ATOM 415 CB ALA A 30 5.050 2.038 -0.509 1.00 0.00 C ATOM 0 H ALA A 30 5.467 1.855 1.883 1.00 0.00 H new ATOM 0 HA ALA A 30 6.832 0.867 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.084 2.029 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.398 1.237 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.662 2.997 -0.166 1.00 0.00 H new ATOM 421 N VAL A 31 7.005 4.181 -0.257 1.00 0.00 N ATOM 422 CA VAL A 31 7.812 5.307 -0.682 1.00 0.00 C ATOM 423 C VAL A 31 9.276 5.039 -0.363 1.00 0.00 C ATOM 424 O VAL A 31 10.155 5.352 -1.162 1.00 0.00 O ATOM 425 CB VAL A 31 7.327 6.573 0.018 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.923 7.796 -0.673 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.804 6.641 -0.052 1.00 0.00 C ATOM 0 H VAL A 31 6.126 4.440 0.192 1.00 0.00 H new ATOM 0 HA VAL A 31 7.715 5.445 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 31 7.642 6.555 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.577 8.701 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.011 7.748 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.608 7.814 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.457 7.545 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.488 6.659 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.378 5.767 0.441 1.00 0.00 H new ATOM 437 N THR A 32 9.536 4.460 0.812 1.00 0.00 N ATOM 438 CA THR A 32 10.890 4.155 1.226 1.00 0.00 C ATOM 439 C THR A 32 11.491 3.103 0.306 1.00 0.00 C ATOM 440 O THR A 32 12.428 3.385 -0.439 1.00 0.00 O ATOM 441 CB THR A 32 10.881 3.666 2.672 1.00 0.00 C ATOM 442 OG1 THR A 32 10.755 4.769 3.541 1.00 0.00 O ATOM 443 CG2 THR A 32 12.184 2.930 2.969 1.00 0.00 C ATOM 0 H THR A 32 8.819 4.196 1.488 1.00 0.00 H new ATOM 0 HA THR A 32 11.502 5.054 1.162 1.00 0.00 H new ATOM 0 HB THR A 32 10.040 2.989 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.807 4.932 3.727 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.177 2.581 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.281 2.077 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.026 3.606 2.820 1.00 0.00 H new ATOM 451 N GLU A 33 10.947 1.885 0.357 1.00 0.00 N ATOM 452 CA GLU A 33 11.429 0.799 -0.472 1.00 0.00 C ATOM 453 C GLU A 33 11.678 1.298 -1.888 1.00 0.00 C ATOM 454 O GLU A 33 12.756 1.074 -2.441 1.00 0.00 O ATOM 455 CB GLU A 33 10.409 -0.335 -0.469 1.00 0.00 C ATOM 456 CG GLU A 33 10.918 -1.481 -1.337 1.00 0.00 C ATOM 457 CD GLU A 33 11.435 -2.626 -0.476 1.00 0.00 C ATOM 458 OE1 GLU A 33 12.432 -2.391 0.241 1.00 0.00 O ATOM 459 OE2 GLU A 33 10.824 -3.713 -0.550 1.00 0.00 O ATOM 0 H GLU A 33 10.170 1.634 0.969 1.00 0.00 H new ATOM 0 HA GLU A 33 12.371 0.424 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.241 -0.684 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.451 0.023 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.115 -1.839 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.714 -1.123 -1.989 1.00 0.00 H new ATOM 466 N HIS A 34 10.679 1.971 -2.469 1.00 0.00 N ATOM 467 CA HIS A 34 10.780 2.520 -3.821 1.00 0.00 C ATOM 468 C HIS A 34 11.949 3.519 -3.910 1.00 0.00 C ATOM 469 O HIS A 34 12.781 3.399 -4.807 1.00 0.00 O ATOM 470 CB HIS A 34 9.458 3.182 -4.227 1.00 0.00 C ATOM 471 CG HIS A 34 9.390 3.518 -5.687 1.00 0.00 C ATOM 472 ND1 HIS A 34 8.250 3.350 -6.444 1.00 0.00 N ATOM 473 CD2 HIS A 34 10.332 4.004 -6.531 1.00 0.00 C ATOM 474 CE1 HIS A 34 8.492 3.717 -7.690 1.00 0.00 C ATOM 475 NE2 HIS A 34 9.746 4.120 -7.768 1.00 0.00 N ATOM 0 H HIS A 34 9.783 2.149 -2.016 1.00 0.00 H new ATOM 0 HA HIS A 34 10.979 1.705 -4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.633 2.516 -3.975 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.321 4.093 -3.644 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.358 2.997 -6.096 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.352 4.253 -6.279 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.784 3.691 -8.505 1.00 0.00 H new ATOM 484 N ASN A 35 11.997 4.495 -3.001 1.00 0.00 N ATOM 485 CA ASN A 35 13.049 5.493 -3.008 1.00 0.00 C ATOM 486 C ASN A 35 14.404 4.818 -2.851 1.00 0.00 C ATOM 487 O ASN A 35 15.423 5.354 -3.284 1.00 0.00 O ATOM 488 CB ASN A 35 12.808 6.491 -1.879 1.00 0.00 C ATOM 489 CG ASN A 35 11.670 7.438 -2.225 1.00 0.00 C ATOM 490 OD1 ASN A 35 11.568 8.523 -1.656 1.00 0.00 O ATOM 491 ND2 ASN A 35 10.813 7.028 -3.162 1.00 0.00 N ATOM 0 H ASN A 35 11.314 4.609 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 35 13.041 6.028 -3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.574 5.956 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.718 7.062 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.031 7.624 -3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.939 6.118 -3.606 1.00 0.00 H new ATOM 498 N LYS A 36 14.415 3.636 -2.231 1.00 0.00 N ATOM 499 CA LYS A 36 15.643 2.895 -2.022 1.00 0.00 C ATOM 500 C LYS A 36 16.202 2.430 -3.360 1.00 0.00 C ATOM 501 O LYS A 36 17.409 2.477 -3.581 1.00 0.00 O ATOM 502 CB LYS A 36 15.367 1.704 -1.108 1.00 0.00 C ATOM 503 CG LYS A 36 16.069 1.916 0.229 1.00 0.00 C ATOM 504 CD LYS A 36 15.757 0.748 1.159 1.00 0.00 C ATOM 505 CE LYS A 36 17.037 -0.033 1.445 1.00 0.00 C ATOM 506 NZ LYS A 36 17.931 0.728 2.332 1.00 0.00 N ATOM 0 H LYS A 36 13.580 3.177 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 36 16.384 3.538 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.294 1.591 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.720 0.784 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.145 1.997 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.740 2.852 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.328 1.116 2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.014 0.094 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.789 -0.989 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.549 -0.254 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.691 0.107 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.345 1.525 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.389 1.091 3.142 1.00 0.00 H new ATOM 520 N LYS A 37 15.317 1.979 -4.252 1.00 0.00 N ATOM 521 CA LYS A 37 15.726 1.510 -5.561 1.00 0.00 C ATOM 522 C LYS A 37 15.723 2.666 -6.551 1.00 0.00 C ATOM 523 O LYS A 37 16.767 3.029 -7.088 1.00 0.00 O ATOM 524 CB LYS A 37 14.780 0.404 -6.021 1.00 0.00 C ATOM 525 CG LYS A 37 15.297 -0.944 -5.526 1.00 0.00 C ATOM 526 CD LYS A 37 16.573 -1.308 -6.279 1.00 0.00 C ATOM 527 CE LYS A 37 16.413 -2.687 -6.915 1.00 0.00 C ATOM 528 NZ LYS A 37 17.151 -3.707 -6.155 1.00 0.00 N ATOM 0 H LYS A 37 14.312 1.932 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 37 16.738 1.109 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.777 0.585 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.708 0.401 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.495 -0.899 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.540 -1.714 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.780 -0.563 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.423 -1.307 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.357 -2.952 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.775 -2.662 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.026 -4.635 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.162 -3.463 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.787 -3.745 -5.181 1.00 0.00 H new ATOM 542 N ALA A 38 14.545 3.245 -6.790 1.00 0.00 N ATOM 543 CA ALA A 38 14.411 4.355 -7.712 1.00 0.00 C ATOM 544 C ALA A 38 15.161 5.565 -7.174 1.00 0.00 C ATOM 545 O ALA A 38 14.860 6.699 -7.542 1.00 0.00 O ATOM 546 CB ALA A 38 12.933 4.678 -7.907 1.00 0.00 C ATOM 0 H ALA A 38 13.671 2.956 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 38 14.840 4.085 -8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.831 5.513 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.420 3.806 -8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.490 4.947 -6.948 1.00 0.00 H new ATOM 552 N ASN A 39 16.140 5.323 -6.301 1.00 0.00 N ATOM 553 CA ASN A 39 16.926 6.392 -5.718 1.00 0.00 C ATOM 554 C ASN A 39 16.019 7.551 -5.332 1.00 0.00 C ATOM 555 O ASN A 39 16.422 8.710 -5.402 1.00 0.00 O ATOM 556 CB ASN A 39 17.986 6.845 -6.719 1.00 0.00 C ATOM 557 CG ASN A 39 19.381 6.729 -6.122 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.680 7.362 -5.111 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.235 5.918 -6.749 1.00 0.00 N ATOM 0 H ASN A 39 16.402 4.389 -5.986 1.00 0.00 H new ATOM 0 HA ASN A 39 17.423 6.033 -4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.921 6.239 -7.623 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.797 7.877 -7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.184 5.802 -6.392 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.939 5.414 -7.585 1.00 0.00 H new ATOM 566 N SER A 40 14.788 7.235 -4.924 1.00 0.00 N ATOM 567 CA SER A 40 13.831 8.248 -4.527 1.00 0.00 C ATOM 568 C SER A 40 13.298 8.965 -5.760 1.00 0.00 C ATOM 569 O SER A 40 13.985 9.048 -6.779 1.00 0.00 O ATOM 570 CB SER A 40 14.501 9.236 -3.576 1.00 0.00 C ATOM 571 OG SER A 40 15.382 8.540 -2.722 1.00 0.00 O ATOM 0 H SER A 40 14.438 6.279 -4.863 1.00 0.00 H new ATOM 0 HA SER A 40 12.993 7.779 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.047 9.990 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.747 9.761 -2.989 1.00 0.00 H new ATOM 0 HG SER A 40 15.814 9.173 -2.112 1.00 0.00 H new ATOM 577 N LEU A 41 12.073 9.484 -5.665 1.00 0.00 N ATOM 578 CA LEU A 41 11.435 10.188 -6.777 1.00 0.00 C ATOM 579 C LEU A 41 10.291 11.088 -6.303 1.00 0.00 C ATOM 580 O LEU A 41 9.957 12.082 -6.948 1.00 0.00 O ATOM 581 CB LEU A 41 10.912 9.173 -7.796 1.00 0.00 C ATOM 582 CG LEU A 41 9.522 8.585 -7.472 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.031 7.673 -8.592 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.547 7.829 -6.149 1.00 0.00 C ATOM 0 H LEU A 41 11.500 9.429 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 41 12.185 10.828 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.869 9.651 -8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.628 8.355 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 41 8.826 9.419 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.050 7.275 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.959 8.242 -9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.733 6.850 -8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.556 7.424 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.267 7.013 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.836 8.509 -5.347 1.00 0.00 H new ATOM 596 N LEU A 42 9.693 10.724 -5.168 1.00 0.00 N ATOM 597 CA LEU A 42 8.573 11.473 -4.599 1.00 0.00 C ATOM 598 C LEU A 42 8.704 11.635 -3.082 1.00 0.00 C ATOM 599 O LEU A 42 9.666 11.169 -2.475 1.00 0.00 O ATOM 600 CB LEU A 42 7.257 10.768 -4.937 1.00 0.00 C ATOM 601 CG LEU A 42 7.181 9.292 -4.493 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.687 9.171 -3.054 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.282 8.489 -5.427 1.00 0.00 C ATOM 0 H LEU A 42 9.969 9.908 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 42 8.583 12.471 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.438 11.316 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.101 10.817 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 42 8.190 8.883 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.644 8.119 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.371 9.698 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.692 9.609 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.244 7.452 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.277 8.910 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.681 8.530 -6.440 1.00 0.00 H new ATOM 615 N GLU A 43 7.722 12.308 -2.478 1.00 0.00 N ATOM 616 CA GLU A 43 7.723 12.537 -1.048 1.00 0.00 C ATOM 617 C GLU A 43 6.313 12.377 -0.495 1.00 0.00 C ATOM 618 O GLU A 43 5.398 13.090 -0.901 1.00 0.00 O ATOM 619 CB GLU A 43 8.262 13.935 -0.758 1.00 0.00 C ATOM 620 CG GLU A 43 8.833 13.977 0.656 1.00 0.00 C ATOM 621 CD GLU A 43 10.246 13.412 0.688 1.00 0.00 C ATOM 622 OE1 GLU A 43 10.413 12.274 0.200 1.00 0.00 O ATOM 623 OE2 GLU A 43 11.132 14.129 1.201 1.00 0.00 O ATOM 0 H GLU A 43 6.918 12.701 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 43 8.366 11.804 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.034 14.196 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.466 14.672 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.840 15.005 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.193 13.405 1.328 1.00 0.00 H new ATOM 630 N PHE A 44 6.141 11.437 0.436 1.00 0.00 N ATOM 631 CA PHE A 44 4.848 11.189 1.040 1.00 0.00 C ATOM 632 C PHE A 44 4.327 12.464 1.688 1.00 0.00 C ATOM 633 O PHE A 44 5.059 13.142 2.405 1.00 0.00 O ATOM 634 CB PHE A 44 4.974 10.070 2.070 1.00 0.00 C ATOM 635 CG PHE A 44 3.693 9.793 2.820 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.367 10.549 3.952 1.00 0.00 C ATOM 637 CD2 PHE A 44 2.831 8.780 2.384 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.180 10.291 4.648 1.00 0.00 C ATOM 639 CE2 PHE A 44 1.644 8.521 3.080 1.00 0.00 C ATOM 640 CZ PHE A 44 1.319 9.278 4.212 1.00 0.00 C ATOM 0 H PHE A 44 6.889 10.837 0.783 1.00 0.00 H new ATOM 0 HA PHE A 44 4.138 10.880 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.295 9.158 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.755 10.331 2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.031 11.331 4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.082 8.198 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.929 10.874 5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.980 7.738 2.744 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.403 9.080 4.749 1.00 0.00 H new ATOM 650 N GLU A 45 3.057 12.789 1.434 1.00 0.00 N ATOM 651 CA GLU A 45 2.448 13.978 1.995 1.00 0.00 C ATOM 652 C GLU A 45 1.601 13.607 3.204 1.00 0.00 C ATOM 653 O GLU A 45 1.717 14.224 4.261 1.00 0.00 O ATOM 654 CB GLU A 45 1.597 14.663 0.929 1.00 0.00 C ATOM 655 CG GLU A 45 0.665 15.672 1.593 1.00 0.00 C ATOM 656 CD GLU A 45 0.783 17.038 0.933 1.00 0.00 C ATOM 657 OE1 GLU A 45 0.495 17.107 -0.282 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.160 17.987 1.654 1.00 0.00 O ATOM 0 H GLU A 45 2.436 12.238 0.841 1.00 0.00 H new ATOM 0 HA GLU A 45 3.226 14.668 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.238 15.166 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.016 13.922 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.364 15.320 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.907 15.754 2.653 1.00 0.00 H new ATOM 665 N LYS A 46 0.748 12.593 3.047 1.00 0.00 N ATOM 666 CA LYS A 46 -0.112 12.145 4.124 1.00 0.00 C ATOM 667 C LYS A 46 -0.923 10.938 3.671 1.00 0.00 C ATOM 668 O LYS A 46 -0.684 10.398 2.591 1.00 0.00 O ATOM 669 CB LYS A 46 -1.032 13.286 4.548 1.00 0.00 C ATOM 670 CG LYS A 46 -1.959 13.649 3.391 1.00 0.00 C ATOM 671 CD LYS A 46 -2.936 14.731 3.841 1.00 0.00 C ATOM 672 CE LYS A 46 -4.308 14.465 3.228 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.987 15.725 2.888 1.00 0.00 N ATOM 0 H LYS A 46 0.640 12.070 2.178 1.00 0.00 H new ATOM 0 HA LYS A 46 0.496 11.849 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.618 12.991 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.441 14.154 4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.375 14.002 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.505 12.766 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.008 14.742 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.574 15.713 3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.198 13.854 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.919 13.896 3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.918 15.517 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.112 16.295 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.413 16.255 2.202 1.00 0.00 H new ATOM 687 N LEU A 47 -1.880 10.520 4.499 1.00 0.00 N ATOM 688 CA LEU A 47 -2.727 9.366 4.195 1.00 0.00 C ATOM 689 C LEU A 47 -4.173 9.776 3.908 1.00 0.00 C ATOM 690 O LEU A 47 -4.678 10.751 4.460 1.00 0.00 O ATOM 691 CB LEU A 47 -2.686 8.378 5.364 1.00 0.00 C ATOM 692 CG LEU A 47 -2.225 6.953 4.992 1.00 0.00 C ATOM 693 CD1 LEU A 47 -2.950 6.441 3.750 1.00 0.00 C ATOM 694 CD2 LEU A 47 -0.716 6.908 4.775 1.00 0.00 C ATOM 0 H LEU A 47 -2.089 10.967 5.392 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.337 8.893 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.019 8.772 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.680 8.319 5.806 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.477 6.300 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.603 5.435 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.023 6.419 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.742 7.103 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.416 5.893 4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.444 7.586 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.208 7.213 5.690 1.00 0.00 H new ATOM 706 N VAL A 48 -4.833 9.018 3.029 1.00 0.00 N ATOM 707 CA VAL A 48 -6.206 9.294 2.659 1.00 0.00 C ATOM 708 C VAL A 48 -7.107 8.171 3.153 1.00 0.00 C ATOM 709 O VAL A 48 -8.088 8.420 3.850 1.00 0.00 O ATOM 710 CB VAL A 48 -6.304 9.440 1.144 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.547 10.254 0.791 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.063 10.157 0.621 1.00 0.00 C ATOM 0 H VAL A 48 -4.428 8.206 2.563 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.532 10.226 3.121 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.373 8.453 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.618 10.359 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.435 9.744 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.477 11.241 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.132 10.262 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.994 11.144 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.175 9.578 0.873 1.00 0.00 H new ATOM 722 N SER A 49 -6.772 6.930 2.789 1.00 0.00 N ATOM 723 CA SER A 49 -7.551 5.779 3.196 1.00 0.00 C ATOM 724 C SER A 49 -6.786 4.501 2.882 1.00 0.00 C ATOM 725 O SER A 49 -5.720 4.546 2.274 1.00 0.00 O ATOM 726 CB SER A 49 -8.897 5.795 2.478 1.00 0.00 C ATOM 727 OG SER A 49 -9.835 6.505 3.254 1.00 0.00 O ATOM 0 H SER A 49 -5.962 6.706 2.211 1.00 0.00 H new ATOM 0 HA SER A 49 -7.728 5.817 4.271 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.793 6.261 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.244 4.775 2.311 1.00 0.00 H new ATOM 0 HG SER A 49 -9.504 7.413 3.418 1.00 0.00 H new ATOM 733 N VAL A 50 -7.336 3.358 3.298 1.00 0.00 N ATOM 734 CA VAL A 50 -6.707 2.075 3.060 1.00 0.00 C ATOM 735 C VAL A 50 -7.769 0.989 2.973 1.00 0.00 C ATOM 736 O VAL A 50 -8.866 1.146 3.505 1.00 0.00 O ATOM 737 CB VAL A 50 -5.718 1.777 4.184 1.00 0.00 C ATOM 738 CG1 VAL A 50 -6.342 2.157 5.523 1.00 0.00 C ATOM 739 CG2 VAL A 50 -5.383 0.288 4.184 1.00 0.00 C ATOM 0 H VAL A 50 -8.220 3.304 3.803 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.164 2.101 2.115 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.807 2.355 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.637 1.945 6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.583 3.220 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.253 1.578 5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.677 0.074 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.294 -0.290 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.938 0.015 3.227 1.00 0.00 H new ATOM 749 N LYS A 51 -7.442 -0.117 2.301 1.00 0.00 N ATOM 750 CA LYS A 51 -8.369 -1.221 2.149 1.00 0.00 C ATOM 751 C LYS A 51 -7.698 -2.521 2.570 1.00 0.00 C ATOM 752 O LYS A 51 -6.473 -2.611 2.598 1.00 0.00 O ATOM 753 CB LYS A 51 -8.834 -1.298 0.698 1.00 0.00 C ATOM 754 CG LYS A 51 -9.310 0.078 0.243 1.00 0.00 C ATOM 755 CD LYS A 51 -9.315 0.138 -1.282 1.00 0.00 C ATOM 756 CE LYS A 51 -8.869 1.523 -1.740 1.00 0.00 C ATOM 757 NZ LYS A 51 -10.026 2.355 -2.106 1.00 0.00 N ATOM 0 H LYS A 51 -6.537 -0.264 1.855 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.238 -1.061 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.019 -1.641 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.641 -2.024 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.311 0.274 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.656 0.852 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.649 -0.623 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.314 -0.078 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.304 2.009 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.199 1.429 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.696 3.292 -2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.549 1.900 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.651 2.462 -1.282 1.00 0.00 H new ATOM 771 N GLN A 52 -8.508 -3.531 2.899 1.00 0.00 N ATOM 772 CA GLN A 52 -7.991 -4.819 3.317 1.00 0.00 C ATOM 773 C GLN A 52 -8.616 -5.924 2.478 1.00 0.00 C ATOM 774 O GLN A 52 -9.818 -5.907 2.220 1.00 0.00 O ATOM 775 CB GLN A 52 -8.292 -5.028 4.798 1.00 0.00 C ATOM 776 CG GLN A 52 -9.802 -5.002 5.020 1.00 0.00 C ATOM 777 CD GLN A 52 -10.144 -5.342 6.463 1.00 0.00 C ATOM 778 OE1 GLN A 52 -11.097 -4.802 7.021 1.00 0.00 O ATOM 779 NE2 GLN A 52 -9.362 -6.240 7.069 1.00 0.00 N ATOM 0 H GLN A 52 -9.526 -3.472 2.881 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.911 -4.847 3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.881 -5.981 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.813 -4.249 5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.193 -4.015 4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.285 -5.714 4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.582 -6.661 6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.545 -6.505 8.037 1.00 0.00 H new ATOM 788 N GLN A 53 -7.796 -6.887 2.052 1.00 0.00 N ATOM 789 CA GLN A 53 -8.272 -7.994 1.246 1.00 0.00 C ATOM 790 C GLN A 53 -7.667 -9.297 1.747 1.00 0.00 C ATOM 791 O GLN A 53 -6.557 -9.305 2.275 1.00 0.00 O ATOM 792 CB GLN A 53 -7.902 -7.752 -0.216 1.00 0.00 C ATOM 793 CG GLN A 53 -8.066 -9.047 -1.004 1.00 0.00 C ATOM 794 CD GLN A 53 -8.710 -8.781 -2.357 1.00 0.00 C ATOM 795 OE1 GLN A 53 -9.658 -8.005 -2.453 1.00 0.00 O ATOM 796 NE2 GLN A 53 -8.193 -9.429 -3.404 1.00 0.00 N ATOM 0 H GLN A 53 -6.797 -6.915 2.257 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.357 -8.068 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.537 -6.974 -0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.874 -7.398 -0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.093 -9.517 -1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.678 -9.748 -0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.405 -10.063 -3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.586 -9.290 -4.335 1.00 0.00 H new ATOM 805 N VAL A 54 -8.400 -10.400 1.579 1.00 0.00 N ATOM 806 CA VAL A 54 -7.933 -11.701 2.013 1.00 0.00 C ATOM 807 C VAL A 54 -7.763 -12.615 0.808 1.00 0.00 C ATOM 808 O VAL A 54 -8.691 -12.791 0.023 1.00 0.00 O ATOM 809 CB VAL A 54 -8.931 -12.293 3.004 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.326 -12.283 2.388 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.530 -13.729 3.332 1.00 0.00 C ATOM 0 H VAL A 54 -9.322 -10.409 1.143 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.967 -11.600 2.507 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.933 -11.698 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.039 -12.706 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.613 -11.258 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.325 -12.878 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.242 -14.153 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.528 -14.324 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.533 -13.737 3.772 1.00 0.00 H new ATOM 821 N VAL A 55 -6.570 -13.198 0.664 1.00 0.00 N ATOM 822 CA VAL A 55 -6.284 -14.090 -0.443 1.00 0.00 C ATOM 823 C VAL A 55 -5.154 -15.036 -0.062 1.00 0.00 C ATOM 824 O VAL A 55 -5.282 -15.808 0.886 1.00 0.00 O ATOM 825 CB VAL A 55 -5.909 -13.268 -1.674 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.031 -12.283 -1.988 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.619 -12.501 -1.399 1.00 0.00 C ATOM 0 H VAL A 55 -5.790 -13.062 1.307 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.168 -14.684 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.761 -13.933 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.764 -11.696 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.952 -12.831 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.179 -11.617 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.350 -11.914 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.766 -11.835 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.818 -13.205 -1.175 1.00 0.00 H new ATOM 837 N ALA A 56 -4.045 -14.974 -0.804 1.00 0.00 N ATOM 838 CA ALA A 56 -2.902 -15.824 -0.541 1.00 0.00 C ATOM 839 C ALA A 56 -2.097 -15.262 0.623 1.00 0.00 C ATOM 840 O ALA A 56 -0.953 -15.653 0.837 1.00 0.00 O ATOM 841 CB ALA A 56 -2.041 -15.920 -1.797 1.00 0.00 C ATOM 0 H ALA A 56 -3.923 -14.338 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.242 -16.824 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.180 -16.559 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.630 -16.344 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.697 -14.925 -2.079 1.00 0.00 H new ATOM 847 N GLY A 57 -2.701 -14.340 1.376 1.00 0.00 N ATOM 848 CA GLY A 57 -2.036 -13.730 2.511 1.00 0.00 C ATOM 849 C GLY A 57 -2.859 -12.564 3.040 1.00 0.00 C ATOM 850 O GLY A 57 -4.057 -12.700 3.275 1.00 0.00 O ATOM 0 H GLY A 57 -3.650 -14.005 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.893 -14.470 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.046 -13.382 2.217 1.00 0.00 H new ATOM 854 N THR A 58 -2.210 -11.413 3.231 1.00 0.00 N ATOM 855 CA THR A 58 -2.884 -10.233 3.731 1.00 0.00 C ATOM 856 C THR A 58 -2.587 -9.044 2.829 1.00 0.00 C ATOM 857 O THR A 58 -1.503 -8.464 2.898 1.00 0.00 O ATOM 858 CB THR A 58 -2.427 -9.953 5.159 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.634 -11.101 5.952 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.228 -8.788 5.732 1.00 0.00 C ATOM 0 H THR A 58 -1.216 -11.282 3.044 1.00 0.00 H new ATOM 0 HA THR A 58 -3.961 -10.401 3.733 1.00 0.00 H new ATOM 0 HB THR A 58 -1.367 -9.698 5.157 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.339 -10.922 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.901 -8.589 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.068 -7.901 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.288 -9.041 5.734 1.00 0.00 H new ATOM 868 N LEU A 59 -3.552 -8.683 1.982 1.00 0.00 N ATOM 869 CA LEU A 59 -3.397 -7.567 1.050 1.00 0.00 C ATOM 870 C LEU A 59 -4.078 -6.295 1.561 1.00 0.00 C ATOM 871 O LEU A 59 -5.209 -6.330 2.043 1.00 0.00 O ATOM 872 CB LEU A 59 -3.972 -7.955 -0.316 1.00 0.00 C ATOM 873 CG LEU A 59 -3.293 -7.271 -1.521 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.581 -5.773 -1.545 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.788 -7.517 -1.510 1.00 0.00 C ATOM 0 H LEU A 59 -4.456 -9.152 1.923 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.332 -7.354 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.890 -9.035 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.035 -7.712 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.712 -7.713 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.088 -5.322 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.656 -5.610 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.204 -5.315 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.333 -7.025 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.360 -7.114 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.594 -8.588 -1.561 1.00 0.00 H new ATOM 887 N TYR A 60 -3.371 -5.168 1.453 1.00 0.00 N ATOM 888 CA TYR A 60 -3.893 -3.894 1.903 1.00 0.00 C ATOM 889 C TYR A 60 -3.673 -2.838 0.829 1.00 0.00 C ATOM 890 O TYR A 60 -2.559 -2.669 0.338 1.00 0.00 O ATOM 891 CB TYR A 60 -3.201 -3.494 3.204 1.00 0.00 C ATOM 892 CG TYR A 60 -3.849 -4.079 4.435 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.990 -3.476 4.979 1.00 0.00 C ATOM 894 CD2 TYR A 60 -3.311 -5.224 5.034 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.592 -4.018 6.121 1.00 0.00 C ATOM 896 CE2 TYR A 60 -3.914 -5.767 6.176 1.00 0.00 C ATOM 897 CZ TYR A 60 -5.053 -5.163 6.719 1.00 0.00 C ATOM 898 OH TYR A 60 -5.640 -5.692 7.832 1.00 0.00 O ATOM 0 H TYR A 60 -2.433 -5.121 1.055 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.964 -3.979 2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.159 -3.813 3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.199 -2.407 3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.406 -2.593 4.517 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.431 -5.689 4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.472 -3.553 6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.500 -6.651 6.637 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.141 -6.485 8.119 1.00 0.00 H new ATOM 908 N TYR A 61 -4.742 -2.125 0.466 1.00 0.00 N ATOM 909 CA TYR A 61 -4.661 -1.092 -0.548 1.00 0.00 C ATOM 910 C TYR A 61 -4.576 0.276 0.115 1.00 0.00 C ATOM 911 O TYR A 61 -5.594 0.847 0.499 1.00 0.00 O ATOM 912 CB TYR A 61 -5.883 -1.177 -1.457 1.00 0.00 C ATOM 913 CG TYR A 61 -6.265 -2.591 -1.824 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.608 -3.505 -0.820 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.275 -2.988 -3.166 1.00 0.00 C ATOM 916 CE1 TYR A 61 -6.962 -4.818 -1.159 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.628 -4.300 -3.505 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.971 -5.214 -2.502 1.00 0.00 C ATOM 919 OH TYR A 61 -7.316 -6.492 -2.832 1.00 0.00 O ATOM 0 H TYR A 61 -5.672 -2.251 0.865 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.765 -1.238 -1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.728 -0.698 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.687 -0.614 -2.369 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.600 -3.198 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.011 -2.283 -3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.227 -5.523 -0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.636 -4.607 -4.541 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.272 -6.602 -3.805 1.00 0.00 H new ATOM 929 N PHE A 62 -3.355 0.801 0.249 1.00 0.00 N ATOM 930 CA PHE A 62 -3.145 2.096 0.863 1.00 0.00 C ATOM 931 C PHE A 62 -3.266 3.192 -0.187 1.00 0.00 C ATOM 932 O PHE A 62 -2.611 3.135 -1.225 1.00 0.00 O ATOM 933 CB PHE A 62 -1.769 2.127 1.523 1.00 0.00 C ATOM 934 CG PHE A 62 -1.595 1.086 2.603 1.00 0.00 C ATOM 935 CD1 PHE A 62 -2.129 1.306 3.878 1.00 0.00 C ATOM 936 CD2 PHE A 62 -0.897 -0.096 2.330 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.965 0.343 4.880 1.00 0.00 C ATOM 938 CE2 PHE A 62 -0.733 -1.059 3.333 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.268 -0.840 4.608 1.00 0.00 C ATOM 0 H PHE A 62 -2.500 0.340 -0.064 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.904 2.268 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.005 1.978 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.603 3.115 1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.667 2.218 4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.485 -0.265 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.377 0.513 5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.194 -1.971 3.123 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.143 -1.583 5.381 1.00 0.00 H new ATOM 949 N THR A 63 -4.108 4.191 0.087 1.00 0.00 N ATOM 950 CA THR A 63 -4.307 5.291 -0.835 1.00 0.00 C ATOM 951 C THR A 63 -3.796 6.585 -0.217 1.00 0.00 C ATOM 952 O THR A 63 -4.572 7.365 0.330 1.00 0.00 O ATOM 953 CB THR A 63 -5.790 5.404 -1.178 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.242 4.182 -1.716 1.00 0.00 O ATOM 955 CG2 THR A 63 -5.992 6.518 -2.202 1.00 0.00 C ATOM 0 H THR A 63 -4.659 4.253 0.943 1.00 0.00 H new ATOM 0 HA THR A 63 -3.748 5.106 -1.752 1.00 0.00 H new ATOM 0 HB THR A 63 -6.356 5.634 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.195 4.253 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.051 6.599 -2.447 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.643 7.463 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.427 6.289 -3.105 1.00 0.00 H new ATOM 963 N ILE A 64 -2.483 6.809 -0.305 1.00 0.00 N ATOM 964 CA ILE A 64 -1.871 8.005 0.242 1.00 0.00 C ATOM 965 C ILE A 64 -1.418 8.915 -0.890 1.00 0.00 C ATOM 966 O ILE A 64 -1.174 8.452 -2.002 1.00 0.00 O ATOM 967 CB ILE A 64 -0.692 7.611 1.127 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.601 7.705 0.322 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.881 6.180 1.622 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.531 6.749 -0.866 1.00 0.00 C ATOM 0 H ILE A 64 -1.827 6.170 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.597 8.547 0.848 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.638 8.285 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.751 8.726 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.454 7.456 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.038 5.899 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.804 6.113 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.935 5.504 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.454 6.816 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.401 5.729 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.313 7.019 -1.501 1.00 0.00 H new ATOM 982 N GLU A 65 -1.306 10.215 -0.605 1.00 0.00 N ATOM 983 CA GLU A 65 -0.883 11.179 -1.600 1.00 0.00 C ATOM 984 C GLU A 65 0.565 11.580 -1.353 1.00 0.00 C ATOM 985 O GLU A 65 0.961 11.815 -0.213 1.00 0.00 O ATOM 986 CB GLU A 65 -1.799 12.399 -1.547 1.00 0.00 C ATOM 987 CG GLU A 65 -1.070 13.607 -2.128 1.00 0.00 C ATOM 988 CD GLU A 65 -2.035 14.512 -2.881 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.454 14.100 -3.985 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.334 15.598 -2.340 1.00 0.00 O ATOM 0 H GLU A 65 -1.505 10.616 0.312 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.949 10.733 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.712 12.206 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.096 12.600 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.590 14.168 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.280 13.272 -2.800 1.00 0.00 H new ATOM 997 N VAL A 66 1.355 11.658 -2.426 1.00 0.00 N ATOM 998 CA VAL A 66 2.751 12.030 -2.323 1.00 0.00 C ATOM 999 C VAL A 66 3.064 13.137 -3.320 1.00 0.00 C ATOM 1000 O VAL A 66 2.559 13.129 -4.440 1.00 0.00 O ATOM 1001 CB VAL A 66 3.623 10.805 -2.585 1.00 0.00 C ATOM 1002 CG1 VAL A 66 2.882 9.548 -2.140 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.934 10.711 -4.076 1.00 0.00 C ATOM 0 H VAL A 66 1.041 11.466 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 66 2.960 12.401 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 66 4.554 10.896 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.505 8.673 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.660 9.614 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.951 9.457 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.557 9.836 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.004 10.621 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.464 11.609 -4.394 1.00 0.00 H new ATOM 1013 N LYS A 67 3.900 14.093 -2.908 1.00 0.00 N ATOM 1014 CA LYS A 67 4.274 15.200 -3.765 1.00 0.00 C ATOM 1015 C LYS A 67 5.385 14.769 -4.713 1.00 0.00 C ATOM 1016 O LYS A 67 6.524 14.580 -4.296 1.00 0.00 O ATOM 1017 CB LYS A 67 4.726 16.377 -2.906 1.00 0.00 C ATOM 1018 CG LYS A 67 5.938 15.966 -2.075 1.00 0.00 C ATOM 1019 CD LYS A 67 5.732 16.396 -0.626 1.00 0.00 C ATOM 1020 CE LYS A 67 6.522 17.673 -0.357 1.00 0.00 C ATOM 1021 NZ LYS A 67 5.862 18.496 0.668 1.00 0.00 N ATOM 0 H LYS A 67 4.327 14.115 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 67 3.415 15.508 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.978 17.228 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.915 16.696 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.079 14.887 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.841 16.426 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.673 16.564 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.058 15.605 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.530 17.419 -0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.620 18.245 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.419 19.359 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.909 18.756 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.791 17.956 1.554 1.00 0.00 H new ATOM 1035 N GLU A 68 5.047 14.612 -5.996 1.00 0.00 N ATOM 1036 CA GLU A 68 6.015 14.205 -6.994 1.00 0.00 C ATOM 1037 C GLU A 68 6.706 15.429 -7.577 1.00 0.00 C ATOM 1038 O GLU A 68 6.052 16.321 -8.112 1.00 0.00 O ATOM 1039 CB GLU A 68 5.311 13.409 -8.089 1.00 0.00 C ATOM 1040 CG GLU A 68 6.153 13.437 -9.361 1.00 0.00 C ATOM 1041 CD GLU A 68 5.576 12.503 -10.415 1.00 0.00 C ATOM 1042 OE1 GLU A 68 4.501 12.847 -10.951 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.223 11.463 -10.665 1.00 0.00 O ATOM 0 H GLU A 68 4.106 14.763 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 68 6.773 13.573 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.158 12.380 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.325 13.831 -8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.193 14.453 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.177 13.143 -9.131 1.00 0.00 H new ATOM 1050 N GLY A 69 8.037 15.470 -7.473 1.00 0.00 N ATOM 1051 CA GLY A 69 8.807 16.583 -7.990 1.00 0.00 C ATOM 1052 C GLY A 69 8.282 17.896 -7.424 1.00 0.00 C ATOM 1053 O GLY A 69 8.451 18.177 -6.239 1.00 0.00 O ATOM 0 H GLY A 69 8.596 14.739 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.858 16.460 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.750 16.599 -9.078 1.00 0.00 H new ATOM 1057 N ASP A 70 7.644 18.699 -8.277 1.00 0.00 N ATOM 1058 CA ASP A 70 7.099 19.976 -7.862 1.00 0.00 C ATOM 1059 C ASP A 70 5.579 19.924 -7.897 1.00 0.00 C ATOM 1060 O ASP A 70 4.927 20.930 -8.166 1.00 0.00 O ATOM 1061 CB ASP A 70 7.624 21.076 -8.781 1.00 0.00 C ATOM 1062 CG ASP A 70 8.997 21.553 -8.329 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.900 20.694 -8.252 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.117 22.770 -8.070 1.00 0.00 O ATOM 0 H ASP A 70 7.496 18.479 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 70 7.412 20.194 -6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.683 20.704 -9.804 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.927 21.914 -8.786 1.00 0.00 H new ATOM 1069 N ALA A 71 5.014 18.744 -7.625 1.00 0.00 N ATOM 1070 CA ALA A 71 3.575 18.568 -7.628 1.00 0.00 C ATOM 1071 C ALA A 71 3.187 17.493 -6.622 1.00 0.00 C ATOM 1072 O ALA A 71 4.002 17.088 -5.797 1.00 0.00 O ATOM 1073 CB ALA A 71 3.114 18.186 -9.032 1.00 0.00 C ATOM 0 H ALA A 71 5.540 17.900 -7.400 1.00 0.00 H new ATOM 0 HA ALA A 71 3.088 19.500 -7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.032 18.053 -9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.385 18.977 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.595 17.255 -9.332 1.00 0.00 H new ATOM 1079 N LYS A 72 1.935 17.034 -6.692 1.00 0.00 N ATOM 1080 CA LYS A 72 1.447 16.012 -5.788 1.00 0.00 C ATOM 1081 C LYS A 72 0.269 15.282 -6.420 1.00 0.00 C ATOM 1082 O LYS A 72 -0.554 15.894 -7.097 1.00 0.00 O ATOM 1083 CB LYS A 72 1.037 16.656 -4.467 1.00 0.00 C ATOM 1084 CG LYS A 72 0.040 17.779 -4.737 1.00 0.00 C ATOM 1085 CD LYS A 72 0.762 19.123 -4.695 1.00 0.00 C ATOM 1086 CE LYS A 72 -0.260 20.253 -4.760 1.00 0.00 C ATOM 1087 NZ LYS A 72 0.145 21.381 -3.905 1.00 0.00 N ATOM 0 H LYS A 72 1.246 17.360 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 72 2.237 15.286 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.591 15.910 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.915 17.050 -3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.429 17.637 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.757 17.759 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.350 19.203 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.458 19.200 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.366 20.593 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.236 19.884 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.567 22.137 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.223 21.059 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.065 21.746 -4.224 1.00 0.00 H new ATOM 1101 N LYS A 73 0.191 13.969 -6.195 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.883 13.164 -6.741 1.00 0.00 C ATOM 1103 C LYS A 73 -1.228 12.036 -5.778 1.00 0.00 C ATOM 1104 O LYS A 73 -0.961 12.138 -4.580 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.460 12.605 -8.097 1.00 0.00 C ATOM 1106 CG LYS A 73 0.185 13.714 -8.924 1.00 0.00 C ATOM 1107 CD LYS A 73 0.819 13.112 -10.176 1.00 0.00 C ATOM 1108 CE LYS A 73 -0.028 13.467 -11.395 1.00 0.00 C ATOM 1109 NZ LYS A 73 0.783 13.448 -12.623 1.00 0.00 N ATOM 0 H LYS A 73 0.865 13.447 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.771 13.782 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.242 11.783 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.326 12.201 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.563 14.456 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.941 14.230 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.833 13.491 -10.301 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.894 12.029 -10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.852 12.760 -11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.469 14.455 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.185 13.693 -13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.555 14.140 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.183 12.498 -12.760 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.821 10.965 -6.303 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.216 9.814 -5.490 1.00 0.00 C ATOM 1125 C LEU A 74 -1.416 8.559 -5.846 1.00 0.00 C ATOM 1126 O LEU A 74 -1.053 8.343 -7.001 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.713 9.548 -5.671 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.289 8.441 -4.763 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -5.221 9.024 -3.703 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -5.022 7.389 -5.585 1.00 0.00 C ATOM 0 H LEU A 74 -2.040 10.870 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.003 10.052 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.257 10.473 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.896 9.277 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.450 7.964 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.611 8.220 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.669 9.730 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.049 9.539 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.418 6.620 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.843 7.858 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.330 6.935 -6.294 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.142 7.732 -4.834 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.387 6.511 -5.029 1.00 0.00 C ATOM 1144 C TYR A 75 -1.013 5.384 -4.221 1.00 0.00 C ATOM 1145 O TYR A 75 -1.102 5.466 -2.997 1.00 0.00 O ATOM 1146 CB TYR A 75 1.062 6.738 -4.608 1.00 0.00 C ATOM 1147 CG TYR A 75 1.834 7.622 -5.558 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.465 8.961 -5.726 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.920 7.100 -6.271 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.181 9.780 -6.608 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.637 7.919 -7.154 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.267 9.259 -7.322 1.00 0.00 C ATOM 1153 OH TYR A 75 3.964 10.056 -8.181 1.00 0.00 O ATOM 0 H TYR A 75 -1.437 7.895 -3.871 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.406 6.230 -6.082 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.077 7.186 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.565 5.774 -4.531 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.628 9.363 -5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.205 6.067 -6.141 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.895 10.814 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.475 7.517 -7.705 1.00 0.00 H new ATOM 0 HH TYR A 75 4.687 9.539 -8.594 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.448 4.326 -4.909 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.061 3.188 -4.253 1.00 0.00 C ATOM 1165 C GLU A 76 -0.987 2.211 -3.795 1.00 0.00 C ATOM 1166 O GLU A 76 -0.570 1.341 -4.555 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.034 2.511 -5.214 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.621 3.552 -6.161 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.817 2.988 -6.914 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.912 2.976 -6.313 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -4.614 2.580 -8.079 1.00 0.00 O ATOM 0 H GLU A 76 -1.383 4.242 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.612 3.525 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.520 1.736 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.832 2.021 -4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.925 4.433 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.859 3.875 -6.870 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.540 2.358 -2.545 1.00 0.00 N ATOM 1179 CA ALA A 77 0.481 1.493 -1.992 1.00 0.00 C ATOM 1180 C ALA A 77 -0.131 0.152 -1.610 1.00 0.00 C ATOM 1181 O ALA A 77 -0.962 0.080 -0.707 1.00 0.00 O ATOM 1182 CB ALA A 77 1.112 2.165 -0.775 1.00 0.00 C ATOM 0 H ALA A 77 -0.877 3.074 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 77 1.257 1.317 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.881 1.514 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.561 3.112 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.345 2.349 -0.023 1.00 0.00 H new ATOM 1188 N LYS A 78 0.281 -0.912 -2.303 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.229 -2.242 -2.034 1.00 0.00 C ATOM 1190 C LYS A 78 0.862 -3.096 -1.403 1.00 0.00 C ATOM 1191 O LYS A 78 1.905 -3.325 -2.011 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.722 -2.869 -3.334 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.610 -1.874 -4.074 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.672 -1.332 -3.121 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.423 -0.187 -3.794 1.00 0.00 C ATOM 1196 NZ LYS A 78 -3.502 -0.389 -5.248 1.00 0.00 N ATOM 0 H LYS A 78 0.969 -0.869 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.064 -2.181 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.126 -3.151 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.279 -3.782 -3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.007 -1.055 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.085 -2.359 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.367 -2.125 -2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.205 -0.983 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.428 -0.113 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.920 0.757 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.219 0.249 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.577 -0.184 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.766 -1.375 -5.448 1.00 0.00 H new ATOM 1210 N VAL A 79 0.616 -3.568 -0.177 1.00 0.00 N ATOM 1211 CA VAL A 79 1.574 -4.393 0.530 1.00 0.00 C ATOM 1212 C VAL A 79 0.977 -5.768 0.791 1.00 0.00 C ATOM 1213 O VAL A 79 -0.240 -5.937 0.749 1.00 0.00 O ATOM 1214 CB VAL A 79 1.960 -3.713 1.841 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.600 -4.735 2.775 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.954 -2.589 1.557 1.00 0.00 C ATOM 0 H VAL A 79 -0.244 -3.387 0.340 1.00 0.00 H new ATOM 0 HA VAL A 79 2.471 -4.518 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 79 1.069 -3.299 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.876 -4.250 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.891 -5.537 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.492 -5.149 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.230 -2.103 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.846 -3.002 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.496 -1.859 0.890 1.00 0.00 H new ATOM 1226 N TRP A 80 1.835 -6.753 1.062 1.00 0.00 N ATOM 1227 CA TRP A 80 1.385 -8.104 1.330 1.00 0.00 C ATOM 1228 C TRP A 80 2.014 -8.615 2.618 1.00 0.00 C ATOM 1229 O TRP A 80 3.093 -9.200 2.597 1.00 0.00 O ATOM 1230 CB TRP A 80 1.754 -9.004 0.154 1.00 0.00 C ATOM 1231 CG TRP A 80 0.952 -10.261 0.048 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.237 -10.483 0.650 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.256 -11.482 -0.693 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.686 -11.747 0.334 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.197 -12.409 -0.493 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.318 -11.902 -1.515 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.191 -13.680 -1.074 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.322 -13.175 -2.103 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.263 -14.064 -1.885 1.00 0.00 C ATOM 0 H TRP A 80 2.847 -6.631 1.100 1.00 0.00 H new ATOM 0 HA TRP A 80 0.302 -8.112 1.452 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.637 -8.437 -0.769 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.808 -9.269 0.235 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.756 -9.778 1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.563 -12.144 0.670 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.145 -11.232 -1.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.632 -14.357 -0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.150 -13.472 -2.730 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.274 -15.043 -2.342 1.00 0.00 H new ATOM 1250 N GLU A 81 1.331 -8.391 3.744 1.00 0.00 N ATOM 1251 CA GLU A 81 1.826 -8.829 5.034 1.00 0.00 C ATOM 1252 C GLU A 81 1.361 -10.251 5.312 1.00 0.00 C ATOM 1253 O GLU A 81 0.395 -10.722 4.715 1.00 0.00 O ATOM 1254 CB GLU A 81 1.328 -7.877 6.118 1.00 0.00 C ATOM 1255 CG GLU A 81 2.511 -7.113 6.707 1.00 0.00 C ATOM 1256 CD GLU A 81 3.301 -7.993 7.665 1.00 0.00 C ATOM 1257 OE1 GLU A 81 3.470 -9.186 7.334 1.00 0.00 O ATOM 1258 OE2 GLU A 81 3.723 -7.454 8.712 1.00 0.00 O ATOM 0 H GLU A 81 0.434 -7.908 3.779 1.00 0.00 H new ATOM 0 HA GLU A 81 2.916 -8.819 5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.603 -7.179 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.816 -8.436 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.162 -6.766 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.153 -6.227 7.232 1.00 0.00 H new ATOM 1265 N LYS A 82 2.056 -10.939 6.222 1.00 0.00 N ATOM 1266 CA LYS A 82 1.712 -12.301 6.575 1.00 0.00 C ATOM 1267 C LYS A 82 2.164 -12.599 7.997 1.00 0.00 C ATOM 1268 O LYS A 82 3.358 -12.741 8.255 1.00 0.00 O ATOM 1269 CB LYS A 82 2.368 -13.262 5.587 1.00 0.00 C ATOM 1270 CG LYS A 82 2.312 -12.665 4.184 1.00 0.00 C ATOM 1271 CD LYS A 82 3.046 -13.583 3.211 1.00 0.00 C ATOM 1272 CE LYS A 82 2.162 -13.844 1.993 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.973 -14.204 0.820 1.00 0.00 N ATOM 0 H LYS A 82 2.861 -10.565 6.724 1.00 0.00 H new ATOM 0 HA LYS A 82 0.631 -12.430 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.403 -13.446 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.857 -14.224 5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.275 -12.540 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.767 -11.675 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.985 -13.125 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.296 -14.524 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.460 -14.648 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.570 -12.956 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.489 -13.891 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.902 -13.740 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.102 -15.235 0.791 1.00 0.00 H new ATOM 1287 N PRO A 83 1.206 -12.691 8.923 1.00 0.00 N ATOM 1288 CA PRO A 83 1.447 -12.969 10.322 1.00 0.00 C ATOM 1289 C PRO A 83 1.850 -14.426 10.491 1.00 0.00 C ATOM 1290 O PRO A 83 2.793 -14.733 11.217 1.00 0.00 O ATOM 1291 CB PRO A 83 0.115 -12.685 11.012 1.00 0.00 C ATOM 1292 CG PRO A 83 -0.906 -13.009 9.922 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.206 -12.528 8.653 1.00 0.00 C ATOM 0 HA PRO A 83 2.252 -12.366 10.742 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.024 -13.309 11.895 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.042 -11.648 11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.131 -14.075 9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.851 -12.490 10.085 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.513 -13.113 7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.450 -11.488 8.437 1.00 0.00 H new ATOM 1301 N TRP A 84 1.130 -15.328 9.819 1.00 0.00 N ATOM 1302 CA TRP A 84 1.418 -16.746 9.901 1.00 0.00 C ATOM 1303 C TRP A 84 2.917 -16.978 9.778 1.00 0.00 C ATOM 1304 O TRP A 84 3.417 -18.041 10.140 1.00 0.00 O ATOM 1305 CB TRP A 84 0.664 -17.481 8.798 1.00 0.00 C ATOM 1306 CG TRP A 84 1.206 -17.277 7.419 1.00 0.00 C ATOM 1307 CD1 TRP A 84 2.271 -17.923 6.896 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.735 -16.373 6.374 1.00 0.00 C ATOM 1309 NE1 TRP A 84 2.489 -17.485 5.606 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.569 -16.527 5.233 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.312 -15.439 6.273 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 1.376 -15.796 4.058 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.513 -14.701 5.097 1.00 0.00 C ATOM 1314 CH2 TRP A 84 0.326 -14.876 3.991 1.00 0.00 C ATOM 0 H TRP A 84 0.344 -15.092 9.213 1.00 0.00 H new ATOM 0 HA TRP A 84 1.091 -17.132 10.866 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.672 -18.548 9.021 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.378 -17.160 8.814 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.861 -18.668 7.409 1.00 0.00 H new ATOM 0 HE1 TRP A 84 3.237 -17.827 5.003 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.972 -15.288 7.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.031 -15.940 3.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.324 -13.990 5.045 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.163 -14.303 3.090 1.00 0.00 H new ATOM 1325 N MET A 85 3.635 -15.978 9.264 1.00 0.00 N ATOM 1326 CA MET A 85 5.071 -16.078 9.093 1.00 0.00 C ATOM 1327 C MET A 85 5.720 -14.727 9.356 1.00 0.00 C ATOM 1328 O MET A 85 6.919 -14.559 9.146 1.00 0.00 O ATOM 1329 CB MET A 85 5.381 -16.560 7.679 1.00 0.00 C ATOM 1330 CG MET A 85 5.098 -15.438 6.685 1.00 0.00 C ATOM 1331 SD MET A 85 5.863 -15.682 5.063 1.00 0.00 S ATOM 1332 CE MET A 85 4.639 -16.793 4.329 1.00 0.00 C ATOM 0 H MET A 85 3.236 -15.090 8.960 1.00 0.00 H new ATOM 0 HA MET A 85 5.476 -16.796 9.806 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.424 -16.868 7.609 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.774 -17.433 7.440 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.020 -15.344 6.556 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.452 -14.497 7.105 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.889 -16.969 3.283 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.639 -17.741 4.867 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.650 -16.339 4.394 1.00 0.00 H new ATOM 1342 N ASP A 86 4.921 -13.762 9.818 1.00 0.00 N ATOM 1343 CA ASP A 86 5.419 -12.432 10.108 1.00 0.00 C ATOM 1344 C ASP A 86 6.370 -11.987 9.005 1.00 0.00 C ATOM 1345 O ASP A 86 7.559 -11.798 9.247 1.00 0.00 O ATOM 1346 CB ASP A 86 6.124 -12.436 11.461 1.00 0.00 C ATOM 1347 CG ASP A 86 5.953 -11.099 12.167 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.783 -10.717 12.384 1.00 0.00 O ATOM 1349 OD2 ASP A 86 6.995 -10.484 12.477 1.00 0.00 O ATOM 0 H ASP A 86 3.925 -13.886 9.997 1.00 0.00 H new ATOM 0 HA ASP A 86 4.587 -11.729 10.150 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.720 -13.235 12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.185 -12.645 11.322 1.00 0.00 H new ATOM 1354 N PHE A 87 5.842 -11.820 7.790 1.00 0.00 N ATOM 1355 CA PHE A 87 6.646 -11.400 6.660 1.00 0.00 C ATOM 1356 C PHE A 87 5.842 -10.458 5.776 1.00 0.00 C ATOM 1357 O PHE A 87 4.667 -10.702 5.510 1.00 0.00 O ATOM 1358 CB PHE A 87 7.098 -12.627 5.874 1.00 0.00 C ATOM 1359 CG PHE A 87 7.410 -12.334 4.425 1.00 0.00 C ATOM 1360 CD1 PHE A 87 6.372 -12.054 3.529 1.00 0.00 C ATOM 1361 CD2 PHE A 87 8.736 -12.346 3.979 1.00 0.00 C ATOM 1362 CE1 PHE A 87 6.660 -11.785 2.186 1.00 0.00 C ATOM 1363 CE2 PHE A 87 9.025 -12.076 2.636 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.987 -11.795 1.739 1.00 0.00 C ATOM 0 H PHE A 87 4.857 -11.972 7.572 1.00 0.00 H new ATOM 0 HA PHE A 87 7.528 -10.867 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.984 -13.048 6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.318 -13.387 5.923 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.349 -12.045 3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.537 -12.564 4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.859 -11.570 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 87 10.049 -12.084 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 87 8.210 -11.586 0.703 1.00 0.00 H new ATOM 1374 N LYS A 88 6.479 -9.377 5.319 1.00 0.00 N ATOM 1375 CA LYS A 88 5.821 -8.406 4.469 1.00 0.00 C ATOM 1376 C LYS A 88 6.694 -8.102 3.259 1.00 0.00 C ATOM 1377 O LYS A 88 7.918 -8.136 3.348 1.00 0.00 O ATOM 1378 CB LYS A 88 5.545 -7.135 5.268 1.00 0.00 C ATOM 1379 CG LYS A 88 6.866 -6.523 5.723 1.00 0.00 C ATOM 1380 CD LYS A 88 6.677 -5.030 5.972 1.00 0.00 C ATOM 1381 CE LYS A 88 6.931 -4.724 7.445 1.00 0.00 C ATOM 1382 NZ LYS A 88 5.895 -5.329 8.296 1.00 0.00 N ATOM 0 H LYS A 88 7.453 -9.160 5.529 1.00 0.00 H new ATOM 0 HA LYS A 88 4.873 -8.811 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.993 -6.421 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.921 -7.364 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.212 -7.013 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.633 -6.682 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.362 -4.457 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.666 -4.729 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.911 -5.102 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.948 -3.645 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.990 -4.970 9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.955 -5.082 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.006 -6.363 8.297 1.00 0.00 H new ATOM 1396 N GLU A 89 6.057 -7.804 2.124 1.00 0.00 N ATOM 1397 CA GLU A 89 6.777 -7.495 0.905 1.00 0.00 C ATOM 1398 C GLU A 89 5.975 -6.511 0.063 1.00 0.00 C ATOM 1399 O GLU A 89 4.826 -6.782 -0.285 1.00 0.00 O ATOM 1400 CB GLU A 89 7.037 -8.783 0.130 1.00 0.00 C ATOM 1401 CG GLU A 89 8.067 -8.519 -0.965 1.00 0.00 C ATOM 1402 CD GLU A 89 8.916 -9.755 -1.223 1.00 0.00 C ATOM 1403 OE1 GLU A 89 8.382 -10.686 -1.866 1.00 0.00 O ATOM 1404 OE2 GLU A 89 10.082 -9.746 -0.772 1.00 0.00 O ATOM 0 H GLU A 89 5.042 -7.772 2.033 1.00 0.00 H new ATOM 0 HA GLU A 89 7.733 -7.034 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.398 -9.559 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.109 -9.149 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.559 -8.224 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.708 -7.687 -0.673 1.00 0.00 H new ATOM 1411 N LEU A 90 6.584 -5.372 -0.264 1.00 0.00 N ATOM 1412 CA LEU A 90 5.928 -4.335 -1.059 1.00 0.00 C ATOM 1413 C LEU A 90 5.635 -4.806 -2.484 1.00 0.00 C ATOM 1414 O LEU A 90 6.506 -5.333 -3.171 1.00 0.00 O ATOM 1415 CB LEU A 90 6.807 -3.081 -1.094 1.00 0.00 C ATOM 1416 CG LEU A 90 6.096 -1.806 -1.594 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.361 -2.060 -2.907 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.129 -1.274 -0.544 1.00 0.00 C ATOM 0 H LEU A 90 7.539 -5.143 0.012 1.00 0.00 H new ATOM 0 HA LEU A 90 4.973 -4.107 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.192 -2.896 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.667 -3.275 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 90 6.863 -1.053 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.871 -1.143 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.074 -2.380 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.613 -2.839 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.641 -0.375 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.376 -2.031 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.677 -1.034 0.367 1.00 0.00 H new ATOM 1430 N GLN A 91 4.387 -4.612 -2.920 1.00 0.00 N ATOM 1431 CA GLN A 91 3.970 -5.015 -4.247 1.00 0.00 C ATOM 1432 C GLN A 91 4.104 -3.844 -5.210 1.00 0.00 C ATOM 1433 O GLN A 91 4.611 -4.001 -6.318 1.00 0.00 O ATOM 1434 CB GLN A 91 2.528 -5.512 -4.197 1.00 0.00 C ATOM 1435 CG GLN A 91 2.475 -6.855 -3.476 1.00 0.00 C ATOM 1436 CD GLN A 91 3.152 -7.941 -4.301 1.00 0.00 C ATOM 1437 OE1 GLN A 91 3.061 -7.936 -5.528 1.00 0.00 O ATOM 1438 NE2 GLN A 91 3.828 -8.871 -3.626 1.00 0.00 N ATOM 0 H GLN A 91 3.652 -4.176 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 91 4.608 -5.825 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.900 -4.786 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.133 -5.614 -5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.965 -6.771 -2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.437 -7.130 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.873 -8.830 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.300 -9.623 -4.128 1.00 0.00 H new ATOM 1447 N GLU A 92 3.647 -2.664 -4.783 1.00 0.00 N ATOM 1448 CA GLU A 92 3.721 -1.475 -5.607 1.00 0.00 C ATOM 1449 C GLU A 92 2.812 -0.392 -5.041 1.00 0.00 C ATOM 1450 O GLU A 92 1.705 -0.679 -4.593 1.00 0.00 O ATOM 1451 CB GLU A 92 3.320 -1.824 -7.038 1.00 0.00 C ATOM 1452 CG GLU A 92 4.565 -1.863 -7.919 1.00 0.00 C ATOM 1453 CD GLU A 92 4.372 -2.817 -9.090 1.00 0.00 C ATOM 1454 OE1 GLU A 92 4.633 -4.022 -8.889 1.00 0.00 O ATOM 1455 OE2 GLU A 92 3.965 -2.322 -10.163 1.00 0.00 O ATOM 0 H GLU A 92 3.222 -2.516 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 92 4.743 -1.095 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.815 -2.790 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.614 -1.086 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.783 -0.862 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.425 -2.177 -7.327 1.00 0.00 H new ATOM 1462 N PHE A 93 3.284 0.856 -5.064 1.00 0.00 N ATOM 1463 CA PHE A 93 2.514 1.972 -4.555 1.00 0.00 C ATOM 1464 C PHE A 93 2.480 3.090 -5.588 1.00 0.00 C ATOM 1465 O PHE A 93 3.366 3.940 -5.617 1.00 0.00 O ATOM 1466 CB PHE A 93 3.132 2.462 -3.248 1.00 0.00 C ATOM 1467 CG PHE A 93 4.172 3.539 -3.440 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.409 3.223 -4.016 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.899 4.854 -3.044 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.372 4.223 -4.195 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.863 5.853 -3.223 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.099 5.538 -3.799 1.00 0.00 C ATOM 0 H PHE A 93 4.200 1.111 -5.433 1.00 0.00 H new ATOM 0 HA PHE A 93 1.490 1.653 -4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.341 2.843 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.587 1.617 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.620 2.209 -4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.945 5.097 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.326 3.980 -4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.653 6.867 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.842 6.309 -3.938 1.00 0.00 H new ATOM 1482 N LYS A 94 1.450 3.086 -6.439 1.00 0.00 N ATOM 1483 CA LYS A 94 1.307 4.097 -7.467 1.00 0.00 C ATOM 1484 C LYS A 94 -0.139 4.151 -7.942 1.00 0.00 C ATOM 1485 O LYS A 94 -0.915 3.234 -7.683 1.00 0.00 O ATOM 1486 CB LYS A 94 2.245 3.779 -8.627 1.00 0.00 C ATOM 1487 CG LYS A 94 3.629 4.348 -8.331 1.00 0.00 C ATOM 1488 CD LYS A 94 4.388 4.550 -9.640 1.00 0.00 C ATOM 1489 CE LYS A 94 4.809 3.194 -10.198 1.00 0.00 C ATOM 1490 NZ LYS A 94 3.653 2.460 -10.733 1.00 0.00 N ATOM 0 H LYS A 94 0.706 2.388 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 94 1.571 5.073 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.307 2.701 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.855 4.205 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.538 5.296 -7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.181 3.670 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.759 5.072 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.266 5.174 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.550 3.335 -10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.285 2.606 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.934 1.950 -11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.315 1.779 -10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.891 3.130 -10.960 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.498 5.231 -8.640 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.825 5.453 -9.172 1.00 0.00 C ATOM 1506 C PRO A 95 -2.064 4.524 -10.353 1.00 0.00 C ATOM 1507 O PRO A 95 -3.101 4.602 -11.007 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.829 6.914 -9.617 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.368 7.156 -9.997 1.00 0.00 C ATOM 1510 CD PRO A 95 0.389 6.328 -8.962 1.00 0.00 C ATOM 0 HA PRO A 95 -2.612 5.253 -8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.499 7.078 -10.461 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.155 7.580 -8.818 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.154 6.827 -11.014 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.105 8.212 -9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.336 5.966 -9.362 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.623 6.920 -8.077 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.099 3.642 -10.625 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.207 2.705 -11.725 1.00 0.00 C ATOM 1520 C VAL A 96 -1.494 3.458 -13.017 1.00 0.00 C ATOM 1521 O VAL A 96 -2.631 3.488 -13.480 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.315 1.700 -11.428 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.436 0.716 -12.589 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.981 0.937 -10.148 1.00 0.00 C ATOM 0 H VAL A 96 -0.234 3.564 -10.091 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.267 2.166 -11.843 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.259 2.229 -11.300 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.228 -0.002 -12.376 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.675 1.259 -13.503 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.492 0.187 -12.718 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.773 0.219 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.036 0.409 -10.275 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.895 1.638 -9.318 1.00 0.00 H new ATOM 1534 N ASP A 97 -0.457 4.064 -13.598 1.00 0.00 N ATOM 1535 CA ASP A 97 -0.602 4.812 -14.831 1.00 0.00 C ATOM 1536 C ASP A 97 -0.604 3.857 -16.016 1.00 0.00 C ATOM 1537 O ASP A 97 0.451 3.517 -16.542 1.00 0.00 O ATOM 1538 CB ASP A 97 0.538 5.820 -14.951 1.00 0.00 C ATOM 1539 CG ASP A 97 0.559 6.455 -16.333 1.00 0.00 C ATOM 1540 OD1 ASP A 97 -0.408 7.186 -16.637 1.00 0.00 O ATOM 1541 OD2 ASP A 97 1.542 6.197 -17.062 1.00 0.00 O ATOM 0 H ASP A 97 0.493 4.046 -13.226 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.548 5.353 -14.824 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.425 6.595 -14.192 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.489 5.323 -14.760 1.00 0.00 H new ATOM 1546 N ALA A 98 -1.796 3.426 -16.433 1.00 0.00 N ATOM 1547 CA ALA A 98 -1.931 2.512 -17.550 1.00 0.00 C ATOM 1548 C ALA A 98 -3.322 2.636 -18.153 1.00 0.00 C ATOM 1549 O ALA A 98 -4.251 3.091 -17.489 1.00 0.00 O ATOM 1550 CB ALA A 98 -1.671 1.086 -17.075 1.00 0.00 C ATOM 0 H ALA A 98 -2.681 3.701 -16.006 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.201 2.762 -18.319 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.772 0.399 -17.915 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.662 1.016 -16.669 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.393 0.823 -16.302 1.00 0.00 H new ATOM 1556 N SER A 99 -3.465 2.227 -19.417 1.00 0.00 N ATOM 1557 CA SER A 99 -4.741 2.294 -20.101 1.00 0.00 C ATOM 1558 C SER A 99 -5.141 3.747 -20.310 1.00 0.00 C ATOM 1559 O SER A 99 -5.045 4.267 -21.419 1.00 0.00 O ATOM 1560 CB SER A 99 -5.795 1.555 -19.281 1.00 0.00 C ATOM 1561 OG SER A 99 -5.970 0.256 -19.800 1.00 0.00 O ATOM 0 H SER A 99 -2.705 1.846 -19.981 1.00 0.00 H new ATOM 0 HA SER A 99 -4.659 1.818 -21.078 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.487 1.502 -18.237 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.739 2.099 -19.308 1.00 0.00 H new ATOM 0 HG SER A 99 -6.646 -0.219 -19.272 1.00 0.00 H new ATOM 1567 N ALA A 100 -5.588 4.404 -19.237 1.00 0.00 N ATOM 1568 CA ALA A 100 -5.999 5.792 -19.306 1.00 0.00 C ATOM 1569 C ALA A 100 -7.119 5.947 -20.325 1.00 0.00 C ATOM 1570 O ALA A 100 -7.301 7.023 -20.892 1.00 0.00 O ATOM 1571 CB ALA A 100 -4.802 6.658 -19.683 1.00 0.00 C ATOM 0 H ALA A 100 -5.672 3.987 -18.310 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.371 6.114 -18.334 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.110 7.702 -19.735 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.021 6.547 -18.930 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.417 6.344 -20.653 1.00 0.00 H new ATOM 1577 N ASN A 101 -7.870 4.869 -20.558 1.00 0.00 N ATOM 1578 CA ASN A 101 -8.966 4.891 -21.506 1.00 0.00 C ATOM 1579 C ASN A 101 -8.449 5.271 -22.886 1.00 0.00 C ATOM 1580 O ASN A 101 -7.265 5.553 -23.055 1.00 0.00 O ATOM 1581 CB ASN A 101 -10.024 5.883 -21.033 1.00 0.00 C ATOM 1582 CG ASN A 101 -11.151 5.168 -20.301 1.00 0.00 C ATOM 1583 OD1 ASN A 101 -11.095 5.002 -19.085 1.00 0.00 O ATOM 1584 ND2 ASN A 101 -12.176 4.747 -21.046 1.00 0.00 N ATOM 0 H ASN A 101 -7.732 3.970 -20.097 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.416 3.901 -21.570 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.567 6.621 -20.373 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.427 6.426 -21.888 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.960 4.263 -20.608 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.175 4.909 -22.053 1.00 0.00 H new ATOM 1591 N ALA A 102 -9.345 5.281 -23.877 1.00 0.00 N ATOM 1592 CA ALA A 102 -8.979 5.624 -25.235 1.00 0.00 C ATOM 1593 C ALA A 102 -10.192 6.170 -25.974 1.00 0.00 C ATOM 1594 O ALA A 102 -11.314 5.730 -25.738 1.00 0.00 O ATOM 1595 CB ALA A 102 -8.426 4.389 -25.941 1.00 0.00 C ATOM 1596 OXT ALA A 102 -10.063 7.059 -26.815 1.00 0.00 O ATOM 0 H ALA A 102 -10.331 5.053 -23.753 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.208 6.395 -25.224 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.150 4.647 -26.963 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.546 4.029 -25.408 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.186 3.608 -25.956 1.00 0.00 H new TER 1602 ALA A 102