USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 970 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 52 CYS SG : rot 40:sc= -2.19! USER MOD Set 1.2: B 34 GLN : amide:sc= -3.69! C(o=-5.9!,f=-5.9!) USER MOD Set 2.1: B 3 LYS NZ :NH3+ 135:sc= 0.805 (180deg=-1.12!) USER MOD Set 2.2: B 7 THR OG1 : rot 180:sc= 0.792 USER MOD Set 3.1: B 1 MET N :NH3+ 143:sc= -0.181! (180deg=-2.52!) USER MOD Set 3.2: B 2 THR OG1 : rot 74:sc= 0.836 USER MOD Set 4.1: A 34 GLN : amide:sc= -1.24 K(o=-2.8,f=-6.6!) USER MOD Set 4.2: B 52 CYS SG : rot -174:sc= -1.57 USER MOD Set 5.1: A 1 MET N :NH3+ -146:sc= -0.139 (180deg=-0.463) USER MOD Set 5.2: A 2 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -0.139 (180deg=-0.876) USER MOD Single : A 4 GLN : amide:sc= -1.28! C(o=-1.3!,f=-5.3!) USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= 0.776 (180deg=-1.24) USER MOD Single : A 7 THR OG1 : rot -160:sc= -0.315 USER MOD Single : A 10 ASN : amide:sc= 0.0817 K(o=0.082,f=-5.8!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.006 USER MOD Single : A 18 GLN : amide:sc= -0.731 K(o=-0.73,f=-5.8!) USER MOD Single : A 19 THR OG1 : rot 85:sc= 0.971 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 25 LYS NZ :NH3+ -134:sc= -4.44! (180deg=-6.29!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0675 F(o=-2.2,f=-0.068) USER MOD Single : A 38 CYS SG : rot 70:sc= -0.403 USER MOD Single : A 40 SER OG : rot 130:sc= -0.0699 USER MOD Single : A 42 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-4.8!) USER MOD Single : A 44 HIS : no HE2:sc= 0.168 K(o=0.17,f=-2.6!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0529 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.975 F(o=-2.6!,f=-0.98) USER MOD Single : B 1 MET CE :methyl 165:sc= -0.72 (180deg=-0.868) USER MOD Single : B 4 GLN : amide:sc= -0.0378 K(o=-0.038,f=-2!) USER MOD Single : B 6 LYS NZ :NH3+ 178:sc= -1.23 (180deg=-1.24) USER MOD Single : B 10 ASN :FLIP amide:sc= -1.47 F(o=-3!,f=-1.5) USER MOD Single : B 11 MET CE :methyl -119:sc= 0 (180deg=-0.00703) USER MOD Single : B 17 SER OG : rot 180:sc= 0.0341 USER MOD Single : B 18 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.4) USER MOD Single : B 19 THR OG1 : rot -120:sc= 0.277 USER MOD Single : B 21 THR OG1 : rot 93:sc= 0.833 USER MOD Single : B 25 LYS NZ :NH3+ -114:sc= -3.04 (180deg=-6.11!) USER MOD Single : B 27 ASN :FLIP amide:sc= -0.31 F(o=-3.3,f=-0.31) USER MOD Single : B 38 CYS SG : rot -124:sc= -2.64 USER MOD Single : B 40 SER OG : rot -170:sc= -0.454 USER MOD Single : B 42 HIS : no HE2:sc= -3.57! C(o=-3.6!,f=-3.5!) USER MOD Single : B 44 HIS : no HD1:sc= -0.0624 K(o=-0.062,f=-3.6!) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0.127 USER MOD Single : B 62 ASN :FLIP amide:sc= -0.852 F(o=-3.2!,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.343 -5.719 0.137 1.00 3.37 N ATOM 2 CA MET A 1 -21.125 -6.686 -0.676 1.00 3.57 C ATOM 3 C MET A 1 -22.253 -5.864 -1.259 1.00 3.47 C ATOM 4 O MET A 1 -23.367 -5.867 -0.777 1.00 4.06 O ATOM 5 CB MET A 1 -21.700 -7.810 0.189 1.00 3.97 C ATOM 6 CG MET A 1 -20.522 -8.621 0.743 1.00 4.33 C ATOM 7 SD MET A 1 -20.903 -10.147 1.638 1.00 4.83 S ATOM 8 CE MET A 1 -20.851 -11.277 0.224 1.00 5.37 C ATOM 0 H1 MET A 1 -19.334 -5.969 0.099 1.00 3.37 H new ATOM 0 H2 MET A 1 -20.476 -4.760 -0.242 1.00 3.37 H new ATOM 0 H3 MET A 1 -20.670 -5.750 1.124 1.00 3.37 H new ATOM 0 HA MET A 1 -20.505 -7.165 -1.434 1.00 3.57 H new ATOM 0 HB2 MET A 1 -22.298 -7.399 1.003 1.00 3.97 H new ATOM 0 HB3 MET A 1 -22.359 -8.447 -0.400 1.00 3.97 H new ATOM 0 HG2 MET A 1 -19.867 -8.875 -0.091 1.00 4.33 H new ATOM 0 HG3 MET A 1 -19.952 -7.974 1.410 1.00 4.33 H new ATOM 0 HE1 MET A 1 -21.063 -12.292 0.561 1.00 5.37 H new ATOM 0 HE2 MET A 1 -21.598 -10.975 -0.510 1.00 5.37 H new ATOM 0 HE3 MET A 1 -19.861 -11.245 -0.231 1.00 5.37 H new ATOM 20 N THR A 2 -21.897 -5.179 -2.303 1.00 2.92 N ATOM 21 CA THR A 2 -22.821 -4.284 -3.010 1.00 2.99 C ATOM 22 C THR A 2 -22.399 -4.388 -4.479 1.00 2.72 C ATOM 23 O THR A 2 -21.939 -5.434 -4.896 1.00 2.84 O ATOM 24 CB THR A 2 -22.590 -2.931 -2.359 1.00 3.22 C ATOM 25 OG1 THR A 2 -21.577 -3.247 -1.406 1.00 3.49 O ATOM 26 CG2 THR A 2 -23.803 -2.528 -1.505 1.00 4.02 C ATOM 0 H THR A 2 -20.960 -5.211 -2.705 1.00 2.92 H new ATOM 0 HA THR A 2 -23.888 -4.499 -2.961 1.00 2.99 H new ATOM 0 HB THR A 2 -22.378 -2.150 -3.089 1.00 3.22 H new ATOM 0 HG1 THR A 2 -21.332 -2.439 -0.909 1.00 3.49 H new ATOM 0 HG21 THR A 2 -23.619 -1.556 -1.047 1.00 4.02 H new ATOM 0 HG22 THR A 2 -24.689 -2.469 -2.137 1.00 4.02 H new ATOM 0 HG23 THR A 2 -23.962 -3.272 -0.725 1.00 4.02 H new ATOM 34 N LYS A 3 -22.553 -3.334 -5.228 1.00 2.63 N ATOM 35 CA LYS A 3 -22.146 -3.396 -6.656 1.00 2.60 C ATOM 36 C LYS A 3 -20.680 -2.973 -6.830 1.00 2.17 C ATOM 37 O LYS A 3 -19.789 -3.793 -6.739 1.00 2.07 O ATOM 38 CB LYS A 3 -23.060 -2.469 -7.476 1.00 3.03 C ATOM 39 CG LYS A 3 -24.538 -2.916 -7.386 1.00 3.61 C ATOM 40 CD LYS A 3 -24.720 -4.309 -8.020 1.00 3.98 C ATOM 41 CE LYS A 3 -26.225 -4.645 -8.047 1.00 4.65 C ATOM 42 NZ LYS A 3 -26.985 -3.612 -8.813 1.00 4.95 N ATOM 0 H LYS A 3 -22.939 -2.442 -4.918 1.00 2.63 H new ATOM 0 HA LYS A 3 -22.243 -4.423 -7.007 1.00 2.60 H new ATOM 0 HB2 LYS A 3 -22.964 -1.446 -7.113 1.00 3.03 H new ATOM 0 HB3 LYS A 3 -22.741 -2.468 -8.518 1.00 3.03 H new ATOM 0 HG2 LYS A 3 -24.854 -2.941 -6.343 1.00 3.61 H new ATOM 0 HG3 LYS A 3 -25.175 -2.192 -7.895 1.00 3.61 H new ATOM 0 HD2 LYS A 3 -24.312 -4.321 -9.031 1.00 3.98 H new ATOM 0 HD3 LYS A 3 -24.175 -5.059 -7.447 1.00 3.98 H new ATOM 0 HE2 LYS A 3 -26.376 -5.625 -8.501 1.00 4.65 H new ATOM 0 HE3 LYS A 3 -26.608 -4.703 -7.028 1.00 4.65 H new ATOM 0 HZ1 LYS A 3 -27.871 -4.025 -9.169 1.00 4.95 H new ATOM 0 HZ2 LYS A 3 -27.204 -2.809 -8.190 1.00 4.95 H new ATOM 0 HZ3 LYS A 3 -26.411 -3.282 -9.615 1.00 4.95 H new ATOM 56 N GLN A 4 -20.460 -1.711 -7.072 1.00 2.02 N ATOM 57 CA GLN A 4 -19.068 -1.217 -7.281 1.00 1.74 C ATOM 58 C GLN A 4 -18.309 -0.989 -5.985 1.00 1.34 C ATOM 59 O GLN A 4 -17.310 -0.297 -5.987 1.00 1.25 O ATOM 60 CB GLN A 4 -19.092 0.113 -8.061 1.00 1.87 C ATOM 61 CG GLN A 4 -19.483 -0.105 -9.526 1.00 2.66 C ATOM 62 CD GLN A 4 -20.924 -0.599 -9.623 1.00 3.34 C ATOM 63 OE1 GLN A 4 -21.792 -0.147 -8.901 1.00 3.63 O ATOM 64 NE2 GLN A 4 -21.221 -1.522 -10.495 1.00 4.09 N ATOM 0 H GLN A 4 -21.186 -0.997 -7.134 1.00 2.02 H new ATOM 0 HA GLN A 4 -18.553 -1.998 -7.840 1.00 1.74 H new ATOM 0 HB2 GLN A 4 -19.798 0.799 -7.593 1.00 1.87 H new ATOM 0 HB3 GLN A 4 -18.110 0.584 -8.011 1.00 1.87 H new ATOM 0 HG2 GLN A 4 -19.373 0.827 -10.081 1.00 2.66 H new ATOM 0 HG3 GLN A 4 -18.811 -0.831 -9.984 1.00 2.66 H new ATOM 0 HE21 GLN A 4 -20.495 -1.903 -11.102 1.00 4.09 H new ATOM 0 HE22 GLN A 4 -22.179 -1.863 -10.570 1.00 4.09 H new ATOM 73 N GLU A 5 -18.750 -1.545 -4.898 1.00 1.21 N ATOM 74 CA GLU A 5 -17.960 -1.274 -3.679 1.00 0.96 C ATOM 75 C GLU A 5 -16.687 -2.083 -3.883 1.00 0.95 C ATOM 76 O GLU A 5 -15.603 -1.683 -3.501 1.00 0.82 O ATOM 77 CB GLU A 5 -18.783 -1.723 -2.435 1.00 1.13 C ATOM 78 CG GLU A 5 -18.493 -3.144 -1.900 1.00 1.56 C ATOM 79 CD GLU A 5 -19.096 -4.223 -2.769 1.00 1.97 C ATOM 80 OE1 GLU A 5 -19.606 -3.894 -3.819 1.00 2.53 O ATOM 81 OE2 GLU A 5 -19.026 -5.355 -2.329 1.00 2.36 O ATOM 0 H GLU A 5 -19.573 -2.140 -4.801 1.00 1.21 H new ATOM 0 HA GLU A 5 -17.723 -0.223 -3.511 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -18.603 -1.011 -1.630 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -19.842 -1.661 -2.685 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -17.415 -3.292 -1.838 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -18.886 -3.235 -0.888 1.00 1.56 H new ATOM 88 N LYS A 6 -16.859 -3.218 -4.500 1.00 1.22 N ATOM 89 CA LYS A 6 -15.676 -4.071 -4.768 1.00 1.36 C ATOM 90 C LYS A 6 -14.759 -3.289 -5.664 1.00 1.20 C ATOM 91 O LYS A 6 -13.561 -3.357 -5.518 1.00 1.18 O ATOM 92 CB LYS A 6 -16.049 -5.342 -5.507 1.00 1.75 C ATOM 93 CG LYS A 6 -16.698 -6.305 -4.526 1.00 2.49 C ATOM 94 CD LYS A 6 -17.342 -7.491 -5.259 1.00 2.98 C ATOM 95 CE LYS A 6 -18.557 -6.989 -6.063 1.00 3.67 C ATOM 96 NZ LYS A 6 -19.484 -6.234 -5.179 1.00 3.78 N ATOM 0 H LYS A 6 -17.754 -3.585 -4.825 1.00 1.22 H new ATOM 0 HA LYS A 6 -15.220 -4.343 -3.816 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -16.734 -5.116 -6.324 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -15.162 -5.795 -5.950 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -15.950 -6.671 -3.822 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -17.454 -5.780 -3.943 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -16.618 -7.959 -5.926 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -17.653 -8.251 -4.543 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -18.222 -6.350 -6.880 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -19.079 -7.834 -6.512 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -20.454 -6.309 -5.548 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -19.447 -6.630 -4.218 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -19.201 -5.234 -5.152 1.00 3.78 H new ATOM 110 N THR A 7 -15.344 -2.572 -6.571 1.00 1.23 N ATOM 111 CA THR A 7 -14.511 -1.789 -7.497 1.00 1.25 C ATOM 112 C THR A 7 -13.610 -0.848 -6.688 1.00 0.98 C ATOM 113 O THR A 7 -12.435 -0.726 -6.971 1.00 0.93 O ATOM 114 CB THR A 7 -15.485 -1.059 -8.409 1.00 1.53 C ATOM 115 OG1 THR A 7 -16.380 -2.107 -8.771 1.00 1.77 O ATOM 116 CG2 THR A 7 -14.803 -0.616 -9.713 1.00 1.82 C ATOM 0 H THR A 7 -16.352 -2.497 -6.708 1.00 1.23 H new ATOM 0 HA THR A 7 -13.839 -2.398 -8.102 1.00 1.25 H new ATOM 0 HB THR A 7 -15.918 -0.180 -7.932 1.00 1.53 H new ATOM 0 HG1 THR A 7 -16.860 -1.859 -9.588 1.00 1.77 H new ATOM 0 HG21 THR A 7 -15.525 -0.097 -10.343 1.00 1.82 H new ATOM 0 HG22 THR A 7 -13.976 0.055 -9.481 1.00 1.82 H new ATOM 0 HG23 THR A 7 -14.424 -1.491 -10.241 1.00 1.82 H new ATOM 124 N ALA A 8 -14.164 -0.207 -5.698 1.00 0.87 N ATOM 125 CA ALA A 8 -13.311 0.723 -4.906 1.00 0.79 C ATOM 126 C ALA A 8 -12.192 -0.052 -4.236 1.00 0.62 C ATOM 127 O ALA A 8 -11.020 0.212 -4.422 1.00 0.70 O ATOM 128 CB ALA A 8 -14.139 1.409 -3.822 1.00 0.81 C ATOM 0 H ALA A 8 -15.139 -0.281 -5.408 1.00 0.87 H new ATOM 0 HA ALA A 8 -12.899 1.472 -5.583 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -13.503 2.085 -3.251 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -14.947 1.975 -4.285 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -14.559 0.657 -3.154 1.00 0.81 H new ATOM 134 N LEU A 9 -12.588 -1.011 -3.459 1.00 0.59 N ATOM 135 CA LEU A 9 -11.573 -1.821 -2.743 1.00 0.73 C ATOM 136 C LEU A 9 -10.735 -2.644 -3.702 1.00 0.60 C ATOM 137 O LEU A 9 -9.714 -3.176 -3.322 1.00 0.61 O ATOM 138 CB LEU A 9 -12.307 -2.722 -1.756 1.00 1.09 C ATOM 139 CG LEU A 9 -12.257 -2.124 -0.325 1.00 1.65 C ATOM 140 CD1 LEU A 9 -12.572 -0.608 -0.300 1.00 1.96 C ATOM 141 CD2 LEU A 9 -13.312 -2.839 0.532 1.00 2.37 C ATOM 0 H LEU A 9 -13.560 -1.269 -3.288 1.00 0.59 H new ATOM 0 HA LEU A 9 -10.884 -1.161 -2.217 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -13.344 -2.843 -2.069 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -11.856 -3.714 -1.757 1.00 1.09 H new ATOM 0 HG LEU A 9 -11.246 -2.264 0.057 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -12.523 -0.243 0.726 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -11.843 -0.075 -0.910 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -13.572 -0.438 -0.698 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -13.294 -2.434 1.544 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -14.299 -2.685 0.097 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -13.092 -3.906 0.565 1.00 2.37 H new ATOM 153 N ASN A 10 -11.151 -2.744 -4.928 1.00 0.60 N ATOM 154 CA ASN A 10 -10.335 -3.554 -5.866 1.00 0.63 C ATOM 155 C ASN A 10 -9.071 -2.788 -6.111 1.00 0.57 C ATOM 156 O ASN A 10 -8.028 -3.356 -6.360 1.00 0.57 O ATOM 157 CB ASN A 10 -11.040 -3.748 -7.200 1.00 0.76 C ATOM 158 CG ASN A 10 -11.571 -5.181 -7.255 1.00 1.34 C ATOM 159 OD1 ASN A 10 -11.334 -5.896 -8.210 1.00 1.67 O ATOM 160 ND2 ASN A 10 -12.282 -5.646 -6.264 1.00 2.15 N ATOM 0 H ASN A 10 -11.993 -2.316 -5.313 1.00 0.60 H new ATOM 0 HA ASN A 10 -10.155 -4.538 -5.434 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -11.858 -3.035 -7.305 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -10.351 -3.566 -8.024 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -12.634 -6.603 -6.294 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -12.485 -5.053 -5.460 1.00 2.15 H new ATOM 167 N MET A 11 -9.200 -1.499 -6.034 1.00 0.60 N ATOM 168 CA MET A 11 -7.996 -0.678 -6.265 1.00 0.65 C ATOM 169 C MET A 11 -7.078 -0.943 -5.088 1.00 0.62 C ATOM 170 O MET A 11 -5.881 -1.085 -5.235 1.00 0.68 O ATOM 171 CB MET A 11 -8.380 0.793 -6.317 1.00 0.77 C ATOM 172 CG MET A 11 -9.572 0.943 -7.271 1.00 1.18 C ATOM 173 SD MET A 11 -9.462 0.129 -8.885 1.00 1.98 S ATOM 174 CE MET A 11 -8.974 1.564 -9.872 1.00 2.42 C ATOM 0 H MET A 11 -10.061 -0.993 -5.827 1.00 0.60 H new ATOM 0 HA MET A 11 -7.510 -0.926 -7.209 1.00 0.65 H new ATOM 0 HB2 MET A 11 -8.642 1.153 -5.322 1.00 0.77 H new ATOM 0 HB3 MET A 11 -7.539 1.394 -6.662 1.00 0.77 H new ATOM 0 HG2 MET A 11 -10.459 0.563 -6.763 1.00 1.18 H new ATOM 0 HG3 MET A 11 -9.734 2.007 -7.442 1.00 1.18 H new ATOM 0 HE1 MET A 11 -8.854 1.265 -10.913 1.00 2.42 H new ATOM 0 HE2 MET A 11 -9.743 2.333 -9.801 1.00 2.42 H new ATOM 0 HE3 MET A 11 -8.030 1.960 -9.497 1.00 2.42 H new ATOM 184 N ALA A 12 -7.674 -1.009 -3.933 1.00 0.58 N ATOM 185 CA ALA A 12 -6.852 -1.264 -2.719 1.00 0.62 C ATOM 186 C ALA A 12 -6.235 -2.641 -2.836 1.00 0.56 C ATOM 187 O ALA A 12 -5.147 -2.886 -2.357 1.00 0.57 O ATOM 188 CB ALA A 12 -7.719 -1.227 -1.466 1.00 0.67 C ATOM 0 H ALA A 12 -8.676 -0.900 -3.777 1.00 0.58 H new ATOM 0 HA ALA A 12 -6.084 -0.495 -2.643 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -7.100 -1.416 -0.589 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -8.186 -0.246 -1.376 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.492 -1.992 -1.536 1.00 0.67 H new ATOM 194 N ARG A 13 -6.957 -3.512 -3.477 1.00 0.53 N ATOM 195 CA ARG A 13 -6.439 -4.890 -3.633 1.00 0.50 C ATOM 196 C ARG A 13 -5.163 -4.772 -4.436 1.00 0.49 C ATOM 197 O ARG A 13 -4.165 -5.394 -4.132 1.00 0.51 O ATOM 198 CB ARG A 13 -7.422 -5.745 -4.409 1.00 0.51 C ATOM 199 CG ARG A 13 -6.999 -7.212 -4.324 1.00 0.61 C ATOM 200 CD ARG A 13 -7.833 -8.004 -5.332 1.00 1.07 C ATOM 201 NE ARG A 13 -7.551 -7.464 -6.693 1.00 1.86 N ATOM 202 CZ ARG A 13 -8.557 -7.018 -7.405 1.00 2.52 C ATOM 203 NH1 ARG A 13 -9.476 -7.883 -7.787 1.00 3.15 N ATOM 204 NH2 ARG A 13 -8.604 -5.736 -7.701 1.00 3.08 N ATOM 0 H ARG A 13 -7.870 -3.331 -3.894 1.00 0.53 H new ATOM 0 HA ARG A 13 -6.279 -5.352 -2.659 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -8.427 -5.621 -4.005 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.456 -5.425 -5.450 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -5.936 -7.315 -4.544 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -7.155 -7.596 -3.316 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -7.583 -9.064 -5.284 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -8.894 -7.916 -5.100 1.00 1.07 H new ATOM 0 HE ARG A 13 -6.600 -7.442 -7.060 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -9.391 -8.866 -7.527 1.00 3.15 H new ATOM 0 HH12 ARG A 13 -10.272 -7.569 -8.342 1.00 3.15 H new ATOM 0 HH21 ARG A 13 -7.866 -5.110 -7.377 1.00 3.08 H new ATOM 0 HH22 ARG A 13 -9.378 -5.368 -8.254 1.00 3.08 H new ATOM 218 N PHE A 14 -5.230 -3.966 -5.456 1.00 0.52 N ATOM 219 CA PHE A 14 -4.016 -3.823 -6.287 1.00 0.54 C ATOM 220 C PHE A 14 -2.908 -3.255 -5.437 1.00 0.57 C ATOM 221 O PHE A 14 -1.776 -3.652 -5.602 1.00 0.59 O ATOM 222 CB PHE A 14 -4.262 -2.875 -7.461 1.00 0.62 C ATOM 223 CG PHE A 14 -5.369 -3.415 -8.375 1.00 1.17 C ATOM 224 CD1 PHE A 14 -5.462 -4.759 -8.694 1.00 2.02 C ATOM 225 CD2 PHE A 14 -6.300 -2.540 -8.899 1.00 1.81 C ATOM 226 CE1 PHE A 14 -6.468 -5.211 -9.522 1.00 2.69 C ATOM 227 CE2 PHE A 14 -7.306 -2.991 -9.726 1.00 2.50 C ATOM 228 CZ PHE A 14 -7.393 -4.328 -10.039 1.00 2.71 C ATOM 0 H PHE A 14 -6.043 -3.420 -5.740 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.746 -4.804 -6.677 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -4.542 -1.890 -7.087 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -3.342 -2.750 -8.032 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -4.743 -5.457 -8.292 1.00 2.02 H new ATOM 0 HD2 PHE A 14 -6.239 -1.489 -8.658 1.00 1.81 H new ATOM 0 HE1 PHE A 14 -6.532 -6.261 -9.767 1.00 2.69 H new ATOM 0 HE2 PHE A 14 -8.027 -2.295 -10.129 1.00 2.50 H new ATOM 0 HZ PHE A 14 -8.181 -4.684 -10.686 1.00 2.71 H new ATOM 238 N ILE A 15 -3.219 -2.353 -4.550 1.00 0.58 N ATOM 239 CA ILE A 15 -2.110 -1.813 -3.726 1.00 0.63 C ATOM 240 C ILE A 15 -1.487 -2.981 -2.979 1.00 0.59 C ATOM 241 O ILE A 15 -0.281 -3.069 -2.870 1.00 0.62 O ATOM 242 CB ILE A 15 -2.658 -0.764 -2.733 1.00 0.69 C ATOM 243 CG1 ILE A 15 -3.212 0.404 -3.576 1.00 0.79 C ATOM 244 CG2 ILE A 15 -1.529 -0.265 -1.813 1.00 0.82 C ATOM 245 CD1 ILE A 15 -3.513 1.619 -2.690 1.00 0.93 C ATOM 0 H ILE A 15 -4.151 -1.981 -4.366 1.00 0.58 H new ATOM 0 HA ILE A 15 -1.363 -1.324 -4.351 1.00 0.63 H new ATOM 0 HB ILE A 15 -3.436 -1.193 -2.102 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -2.490 0.679 -4.345 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -4.120 0.089 -4.090 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -1.926 0.474 -1.117 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -1.117 -1.105 -1.254 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -0.743 0.190 -2.416 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -3.902 2.430 -3.305 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -4.253 1.346 -1.938 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -2.597 1.945 -2.196 1.00 0.93 H new ATOM 257 N ARG A 16 -2.308 -3.861 -2.478 1.00 0.58 N ATOM 258 CA ARG A 16 -1.722 -5.011 -1.747 1.00 0.58 C ATOM 259 C ARG A 16 -0.848 -5.781 -2.726 1.00 0.55 C ATOM 260 O ARG A 16 0.196 -6.288 -2.367 1.00 0.56 O ATOM 261 CB ARG A 16 -2.847 -5.928 -1.210 1.00 0.60 C ATOM 262 CG ARG A 16 -2.215 -7.207 -0.649 1.00 0.82 C ATOM 263 CD ARG A 16 -3.280 -8.105 -0.004 1.00 1.04 C ATOM 264 NE ARG A 16 -2.698 -9.464 0.210 1.00 1.57 N ATOM 265 CZ ARG A 16 -2.509 -9.905 1.435 1.00 2.08 C ATOM 266 NH1 ARG A 16 -3.560 -10.245 2.149 1.00 2.60 N ATOM 267 NH2 ARG A 16 -1.276 -9.985 1.885 1.00 2.68 N ATOM 0 H ARG A 16 -3.326 -3.836 -2.540 1.00 0.58 H new ATOM 0 HA ARG A 16 -1.133 -4.663 -0.898 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.414 -5.415 -0.433 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -3.548 -6.172 -2.008 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -1.711 -7.750 -1.449 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -1.455 -6.949 0.089 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -3.607 -7.681 0.945 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -4.159 -8.168 -0.645 1.00 1.04 H new ATOM 0 HE ARG A 16 -2.449 -10.047 -0.589 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -4.495 -10.164 1.750 1.00 2.60 H new ATOM 0 HH12 ARG A 16 -3.440 -10.590 3.101 1.00 2.60 H new ATOM 0 HH21 ARG A 16 -0.496 -9.709 1.288 1.00 2.68 H new ATOM 0 HH22 ARG A 16 -1.099 -10.323 2.831 1.00 2.68 H new ATOM 281 N SER A 17 -1.287 -5.849 -3.947 1.00 0.57 N ATOM 282 CA SER A 17 -0.487 -6.601 -4.939 1.00 0.60 C ATOM 283 C SER A 17 0.861 -5.906 -5.134 1.00 0.56 C ATOM 284 O SER A 17 1.887 -6.545 -5.240 1.00 0.55 O ATOM 285 CB SER A 17 -1.254 -6.640 -6.253 1.00 0.68 C ATOM 286 OG SER A 17 -2.586 -6.974 -5.879 1.00 0.72 O ATOM 0 H SER A 17 -2.147 -5.425 -4.295 1.00 0.57 H new ATOM 0 HA SER A 17 -0.310 -7.619 -4.591 1.00 0.60 H new ATOM 0 HB2 SER A 17 -1.215 -5.678 -6.764 1.00 0.68 H new ATOM 0 HB3 SER A 17 -0.836 -7.380 -6.935 1.00 0.68 H new ATOM 0 HG SER A 17 -3.149 -7.017 -6.680 1.00 0.72 H new ATOM 292 N GLN A 18 0.839 -4.608 -5.174 1.00 0.57 N ATOM 293 CA GLN A 18 2.120 -3.896 -5.385 1.00 0.57 C ATOM 294 C GLN A 18 2.992 -4.109 -4.160 1.00 0.51 C ATOM 295 O GLN A 18 4.200 -4.179 -4.256 1.00 0.51 O ATOM 296 CB GLN A 18 1.848 -2.413 -5.576 1.00 0.65 C ATOM 297 CG GLN A 18 0.935 -2.205 -6.777 1.00 0.91 C ATOM 298 CD GLN A 18 0.646 -0.709 -6.876 1.00 1.11 C ATOM 299 OE1 GLN A 18 -0.317 -0.213 -6.324 1.00 1.80 O ATOM 300 NE2 GLN A 18 1.455 0.050 -7.564 1.00 1.05 N ATOM 0 H GLN A 18 0.011 -4.022 -5.072 1.00 0.57 H new ATOM 0 HA GLN A 18 2.626 -4.278 -6.272 1.00 0.57 H new ATOM 0 HB2 GLN A 18 1.384 -2.001 -4.680 1.00 0.65 H new ATOM 0 HB3 GLN A 18 2.786 -1.878 -5.724 1.00 0.65 H new ATOM 0 HG2 GLN A 18 1.412 -2.565 -7.689 1.00 0.91 H new ATOM 0 HG3 GLN A 18 0.009 -2.768 -6.658 1.00 0.91 H new ATOM 0 HE21 GLN A 18 2.265 -0.359 -8.030 1.00 1.05 H new ATOM 0 HE22 GLN A 18 1.277 1.052 -7.636 1.00 1.05 H new ATOM 309 N THR A 19 2.360 -4.207 -3.030 1.00 0.48 N ATOM 310 CA THR A 19 3.154 -4.419 -1.805 1.00 0.44 C ATOM 311 C THR A 19 3.823 -5.786 -1.937 1.00 0.43 C ATOM 312 O THR A 19 4.880 -6.016 -1.383 1.00 0.46 O ATOM 313 CB THR A 19 2.184 -4.348 -0.627 1.00 0.46 C ATOM 314 OG1 THR A 19 1.558 -3.084 -0.820 1.00 0.56 O ATOM 315 CG2 THR A 19 2.933 -4.218 0.713 1.00 0.48 C ATOM 0 H THR A 19 1.349 -4.151 -2.905 1.00 0.48 H new ATOM 0 HA THR A 19 3.933 -3.672 -1.651 1.00 0.44 H new ATOM 0 HB THR A 19 1.538 -5.225 -0.592 1.00 0.46 H new ATOM 0 HG1 THR A 19 0.811 -3.181 -1.447 1.00 0.56 H new ATOM 0 HG21 THR A 19 2.212 -4.170 1.529 1.00 0.48 H new ATOM 0 HG22 THR A 19 3.582 -5.082 0.852 1.00 0.48 H new ATOM 0 HG23 THR A 19 3.535 -3.309 0.707 1.00 0.48 H new ATOM 323 N LEU A 20 3.191 -6.661 -2.669 1.00 0.45 N ATOM 324 CA LEU A 20 3.801 -8.001 -2.839 1.00 0.51 C ATOM 325 C LEU A 20 5.095 -7.705 -3.576 1.00 0.53 C ATOM 326 O LEU A 20 6.156 -8.122 -3.164 1.00 0.57 O ATOM 327 CB LEU A 20 2.881 -8.890 -3.693 1.00 0.57 C ATOM 328 CG LEU A 20 3.226 -10.399 -3.562 1.00 0.69 C ATOM 329 CD1 LEU A 20 2.158 -11.206 -4.314 1.00 1.31 C ATOM 330 CD2 LEU A 20 4.594 -10.732 -4.194 1.00 1.25 C ATOM 0 H LEU A 20 2.301 -6.509 -3.144 1.00 0.45 H new ATOM 0 HA LEU A 20 3.961 -8.530 -1.899 1.00 0.51 H new ATOM 0 HB2 LEU A 20 1.845 -8.730 -3.393 1.00 0.57 H new ATOM 0 HB3 LEU A 20 2.960 -8.592 -4.738 1.00 0.57 H new ATOM 0 HG LEU A 20 3.260 -10.647 -2.501 1.00 0.69 H new ATOM 0 HD11 LEU A 20 2.382 -12.270 -4.234 1.00 1.31 H new ATOM 0 HD12 LEU A 20 1.179 -11.008 -3.878 1.00 1.31 H new ATOM 0 HD13 LEU A 20 2.154 -10.914 -5.364 1.00 1.31 H new ATOM 0 HD21 LEU A 20 4.797 -11.797 -4.081 1.00 1.25 H new ATOM 0 HD22 LEU A 20 4.577 -10.476 -5.253 1.00 1.25 H new ATOM 0 HD23 LEU A 20 5.375 -10.158 -3.695 1.00 1.25 H new ATOM 342 N THR A 21 4.976 -6.978 -4.649 1.00 0.59 N ATOM 343 CA THR A 21 6.197 -6.667 -5.421 1.00 0.70 C ATOM 344 C THR A 21 7.255 -6.056 -4.503 1.00 0.63 C ATOM 345 O THR A 21 8.434 -6.294 -4.680 1.00 0.69 O ATOM 346 CB THR A 21 5.816 -5.699 -6.525 1.00 0.85 C ATOM 347 OG1 THR A 21 4.625 -6.263 -7.066 1.00 0.87 O ATOM 348 CG2 THR A 21 6.856 -5.774 -7.667 1.00 1.02 C ATOM 0 H THR A 21 4.105 -6.595 -5.015 1.00 0.59 H new ATOM 0 HA THR A 21 6.619 -7.574 -5.854 1.00 0.70 H new ATOM 0 HB THR A 21 5.733 -4.677 -6.156 1.00 0.85 H new ATOM 0 HG1 THR A 21 4.298 -5.697 -7.796 1.00 0.87 H new ATOM 0 HG21 THR A 21 6.579 -5.077 -8.458 1.00 1.02 H new ATOM 0 HG22 THR A 21 7.841 -5.511 -7.280 1.00 1.02 H new ATOM 0 HG23 THR A 21 6.883 -6.787 -8.069 1.00 1.02 H new ATOM 356 N LEU A 22 6.837 -5.281 -3.543 1.00 0.54 N ATOM 357 CA LEU A 22 7.873 -4.696 -2.660 1.00 0.52 C ATOM 358 C LEU A 22 8.553 -5.830 -1.927 1.00 0.45 C ATOM 359 O LEU A 22 9.760 -5.852 -1.836 1.00 0.49 O ATOM 360 CB LEU A 22 7.266 -3.759 -1.613 1.00 0.59 C ATOM 361 CG LEU A 22 6.614 -2.523 -2.268 1.00 0.89 C ATOM 362 CD1 LEU A 22 6.005 -1.659 -1.144 1.00 1.71 C ATOM 363 CD2 LEU A 22 7.681 -1.691 -3.018 1.00 1.25 C ATOM 0 H LEU A 22 5.868 -5.037 -3.339 1.00 0.54 H new ATOM 0 HA LEU A 22 8.567 -4.124 -3.276 1.00 0.52 H new ATOM 0 HB2 LEU A 22 6.520 -4.299 -1.030 1.00 0.59 H new ATOM 0 HB3 LEU A 22 8.042 -3.437 -0.918 1.00 0.59 H new ATOM 0 HG LEU A 22 5.851 -2.839 -2.979 1.00 0.89 H new ATOM 0 HD11 LEU A 22 5.536 -0.776 -1.578 1.00 1.71 H new ATOM 0 HD12 LEU A 22 5.257 -2.239 -0.604 1.00 1.71 H new ATOM 0 HD13 LEU A 22 6.792 -1.351 -0.455 1.00 1.71 H new ATOM 0 HD21 LEU A 22 7.209 -0.822 -3.476 1.00 1.25 H new ATOM 0 HD22 LEU A 22 8.445 -1.360 -2.315 1.00 1.25 H new ATOM 0 HD23 LEU A 22 8.142 -2.304 -3.793 1.00 1.25 H new ATOM 375 N LEU A 23 7.763 -6.737 -1.430 1.00 0.43 N ATOM 376 CA LEU A 23 8.343 -7.883 -0.679 1.00 0.44 C ATOM 377 C LEU A 23 9.463 -8.481 -1.505 1.00 0.48 C ATOM 378 O LEU A 23 10.551 -8.708 -1.018 1.00 0.52 O ATOM 379 CB LEU A 23 7.289 -8.963 -0.448 1.00 0.53 C ATOM 380 CG LEU A 23 7.863 -10.091 0.426 1.00 0.73 C ATOM 381 CD1 LEU A 23 8.034 -9.596 1.869 1.00 1.08 C ATOM 382 CD2 LEU A 23 6.903 -11.285 0.389 1.00 1.05 C ATOM 0 H LEU A 23 6.746 -6.736 -1.510 1.00 0.43 H new ATOM 0 HA LEU A 23 8.708 -7.527 0.284 1.00 0.44 H new ATOM 0 HB2 LEU A 23 6.414 -8.529 0.035 1.00 0.53 H new ATOM 0 HB3 LEU A 23 6.957 -9.368 -1.404 1.00 0.53 H new ATOM 0 HG LEU A 23 8.838 -10.395 0.044 1.00 0.73 H new ATOM 0 HD11 LEU A 23 8.441 -10.399 2.483 1.00 1.08 H new ATOM 0 HD12 LEU A 23 8.717 -8.746 1.884 1.00 1.08 H new ATOM 0 HD13 LEU A 23 7.066 -9.290 2.266 1.00 1.08 H new ATOM 0 HD21 LEU A 23 7.301 -12.091 1.006 1.00 1.05 H new ATOM 0 HD22 LEU A 23 5.929 -10.981 0.773 1.00 1.05 H new ATOM 0 HD23 LEU A 23 6.795 -11.634 -0.638 1.00 1.05 H new ATOM 394 N GLU A 24 9.138 -8.709 -2.744 1.00 0.57 N ATOM 395 CA GLU A 24 10.125 -9.307 -3.672 1.00 0.71 C ATOM 396 C GLU A 24 11.432 -8.526 -3.644 1.00 0.67 C ATOM 397 O GLU A 24 12.446 -9.004 -3.181 1.00 0.69 O ATOM 398 CB GLU A 24 9.596 -9.264 -5.085 1.00 0.90 C ATOM 399 CG GLU A 24 8.241 -9.920 -5.232 1.00 1.37 C ATOM 400 CD GLU A 24 7.748 -9.568 -6.636 1.00 1.52 C ATOM 401 OE1 GLU A 24 8.508 -8.916 -7.340 1.00 1.83 O ATOM 402 OE2 GLU A 24 6.636 -9.963 -6.927 1.00 1.84 O ATOM 0 H GLU A 24 8.226 -8.505 -3.153 1.00 0.57 H new ATOM 0 HA GLU A 24 10.298 -10.336 -3.355 1.00 0.71 H new ATOM 0 HB2 GLU A 24 9.527 -8.226 -5.409 1.00 0.90 H new ATOM 0 HB3 GLU A 24 10.306 -9.759 -5.748 1.00 0.90 H new ATOM 0 HG2 GLU A 24 8.315 -11.000 -5.105 1.00 1.37 H new ATOM 0 HG3 GLU A 24 7.548 -9.557 -4.473 1.00 1.37 H new ATOM 409 N LYS A 25 11.342 -7.326 -4.147 1.00 0.67 N ATOM 410 CA LYS A 25 12.542 -6.450 -4.245 1.00 0.72 C ATOM 411 C LYS A 25 13.293 -6.396 -2.922 1.00 0.68 C ATOM 412 O LYS A 25 14.504 -6.416 -2.890 1.00 0.75 O ATOM 413 CB LYS A 25 12.134 -5.012 -4.615 1.00 0.81 C ATOM 414 CG LYS A 25 11.111 -4.907 -5.796 1.00 0.95 C ATOM 415 CD LYS A 25 11.684 -5.153 -7.215 1.00 1.36 C ATOM 416 CE LYS A 25 11.983 -6.640 -7.487 1.00 1.57 C ATOM 417 NZ LYS A 25 10.835 -7.524 -7.146 1.00 1.86 N ATOM 0 H LYS A 25 10.479 -6.911 -4.498 1.00 0.67 H new ATOM 0 HA LYS A 25 13.184 -6.874 -5.017 1.00 0.72 H new ATOM 0 HB2 LYS A 25 11.704 -4.533 -3.736 1.00 0.81 H new ATOM 0 HB3 LYS A 25 13.030 -4.450 -4.877 1.00 0.81 H new ATOM 0 HG2 LYS A 25 10.309 -5.624 -5.620 1.00 0.95 H new ATOM 0 HG3 LYS A 25 10.662 -3.914 -5.774 1.00 0.95 H new ATOM 0 HD2 LYS A 25 10.974 -4.788 -7.957 1.00 1.36 H new ATOM 0 HD3 LYS A 25 12.599 -4.574 -7.338 1.00 1.36 H new ATOM 0 HE2 LYS A 25 12.237 -6.770 -8.539 1.00 1.57 H new ATOM 0 HE3 LYS A 25 12.856 -6.944 -6.908 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 11.177 -8.344 -6.605 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 10.147 -6.994 -6.574 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 10.378 -7.852 -8.021 1.00 1.86 H new ATOM 431 N LEU A 26 12.565 -6.325 -1.851 1.00 0.65 N ATOM 432 CA LEU A 26 13.247 -6.254 -0.536 1.00 0.67 C ATOM 433 C LEU A 26 13.999 -7.540 -0.270 1.00 0.65 C ATOM 434 O LEU A 26 15.090 -7.523 0.256 1.00 0.73 O ATOM 435 CB LEU A 26 12.208 -6.026 0.565 1.00 0.68 C ATOM 436 CG LEU A 26 12.004 -4.508 0.820 1.00 0.80 C ATOM 437 CD1 LEU A 26 11.718 -3.718 -0.474 1.00 1.21 C ATOM 438 CD2 LEU A 26 10.794 -4.347 1.752 1.00 1.22 C ATOM 0 H LEU A 26 11.545 -6.313 -1.826 1.00 0.65 H new ATOM 0 HA LEU A 26 13.956 -5.426 -0.545 1.00 0.67 H new ATOM 0 HB2 LEU A 26 11.261 -6.482 0.278 1.00 0.68 H new ATOM 0 HB3 LEU A 26 12.532 -6.514 1.484 1.00 0.68 H new ATOM 0 HG LEU A 26 12.924 -4.114 1.253 1.00 0.80 H new ATOM 0 HD11 LEU A 26 11.584 -2.663 -0.234 1.00 1.21 H new ATOM 0 HD12 LEU A 26 12.556 -3.830 -1.162 1.00 1.21 H new ATOM 0 HD13 LEU A 26 10.811 -4.102 -0.942 1.00 1.21 H new ATOM 0 HD21 LEU A 26 10.625 -3.288 1.950 1.00 1.22 H new ATOM 0 HD22 LEU A 26 9.910 -4.773 1.277 1.00 1.22 H new ATOM 0 HD23 LEU A 26 10.987 -4.865 2.691 1.00 1.22 H new ATOM 450 N ASN A 27 13.414 -8.640 -0.636 1.00 0.60 N ATOM 451 CA ASN A 27 14.121 -9.921 -0.372 1.00 0.66 C ATOM 452 C ASN A 27 15.373 -9.962 -1.219 1.00 0.68 C ATOM 453 O ASN A 27 16.435 -10.326 -0.760 1.00 0.79 O ATOM 454 CB ASN A 27 13.255 -11.119 -0.756 1.00 0.76 C ATOM 455 CG ASN A 27 12.018 -11.219 0.142 1.00 1.02 C ATOM 456 OD1 ASN A 27 11.723 -10.255 0.973 1.00 1.70 O flip ATOM 457 ND2 ASN A 27 11.296 -12.196 0.095 1.00 1.70 N flip ATOM 0 H ASN A 27 12.505 -8.712 -1.093 1.00 0.60 H new ATOM 0 HA ASN A 27 14.352 -9.975 0.692 1.00 0.66 H new ATOM 0 HB2 ASN A 27 12.945 -11.028 -1.797 1.00 0.76 H new ATOM 0 HB3 ASN A 27 13.841 -12.035 -0.676 1.00 0.76 H new ATOM 0 HD21 ASN A 27 11.511 -12.958 -0.548 1.00 1.70 H new ATOM 0 HD22 ASN A 27 10.476 -12.253 0.698 1.00 1.70 H new ATOM 464 N GLU A 28 15.198 -9.582 -2.447 1.00 0.70 N ATOM 465 CA GLU A 28 16.329 -9.587 -3.404 1.00 0.83 C ATOM 466 C GLU A 28 17.478 -8.716 -2.920 1.00 0.86 C ATOM 467 O GLU A 28 18.624 -9.117 -2.955 1.00 0.97 O ATOM 468 CB GLU A 28 15.814 -9.076 -4.735 1.00 1.00 C ATOM 469 CG GLU A 28 14.708 -10.004 -5.226 1.00 1.12 C ATOM 470 CD GLU A 28 13.938 -9.246 -6.290 1.00 1.86 C ATOM 471 OE1 GLU A 28 14.589 -8.559 -7.058 1.00 2.61 O ATOM 472 OE2 GLU A 28 12.730 -9.386 -6.278 1.00 2.24 O ATOM 0 H GLU A 28 14.309 -9.264 -2.833 1.00 0.70 H new ATOM 0 HA GLU A 28 16.715 -10.602 -3.500 1.00 0.83 H new ATOM 0 HB2 GLU A 28 15.434 -8.060 -4.627 1.00 1.00 H new ATOM 0 HB3 GLU A 28 16.624 -9.037 -5.463 1.00 1.00 H new ATOM 0 HG2 GLU A 28 15.128 -10.923 -5.634 1.00 1.12 H new ATOM 0 HG3 GLU A 28 14.051 -10.291 -4.405 1.00 1.12 H new ATOM 479 N LEU A 29 17.149 -7.540 -2.474 1.00 0.84 N ATOM 480 CA LEU A 29 18.223 -6.626 -2.014 1.00 0.98 C ATOM 481 C LEU A 29 18.538 -6.797 -0.534 1.00 1.03 C ATOM 482 O LEU A 29 19.030 -5.877 0.088 1.00 1.19 O ATOM 483 CB LEU A 29 17.798 -5.172 -2.293 1.00 1.02 C ATOM 484 CG LEU A 29 17.979 -4.812 -3.799 1.00 1.07 C ATOM 485 CD1 LEU A 29 17.093 -5.660 -4.731 1.00 1.79 C ATOM 486 CD2 LEU A 29 17.625 -3.335 -4.001 1.00 1.43 C ATOM 0 H LEU A 29 16.198 -7.177 -2.409 1.00 0.84 H new ATOM 0 HA LEU A 29 19.131 -6.873 -2.564 1.00 0.98 H new ATOM 0 HB2 LEU A 29 16.756 -5.033 -2.006 1.00 1.02 H new ATOM 0 HB3 LEU A 29 18.391 -4.493 -1.680 1.00 1.02 H new ATOM 0 HG LEU A 29 19.018 -5.018 -4.057 1.00 1.07 H new ATOM 0 HD11 LEU A 29 17.264 -5.363 -5.766 1.00 1.79 H new ATOM 0 HD12 LEU A 29 17.343 -6.714 -4.610 1.00 1.79 H new ATOM 0 HD13 LEU A 29 16.044 -5.504 -4.477 1.00 1.79 H new ATOM 0 HD21 LEU A 29 17.748 -3.072 -5.052 1.00 1.43 H new ATOM 0 HD22 LEU A 29 16.590 -3.165 -3.703 1.00 1.43 H new ATOM 0 HD23 LEU A 29 18.284 -2.716 -3.392 1.00 1.43 H new ATOM 498 N ASP A 30 18.239 -7.962 -0.027 1.00 0.98 N ATOM 499 CA ASP A 30 18.514 -8.298 1.400 1.00 1.11 C ATOM 500 C ASP A 30 18.026 -7.214 2.330 1.00 1.16 C ATOM 501 O ASP A 30 18.776 -6.476 2.933 1.00 1.63 O ATOM 502 CB ASP A 30 20.013 -8.483 1.654 1.00 1.35 C ATOM 503 CG ASP A 30 20.206 -8.942 3.108 1.00 1.82 C ATOM 504 OD1 ASP A 30 19.286 -9.562 3.622 1.00 2.45 O ATOM 505 OD2 ASP A 30 21.270 -8.649 3.626 1.00 2.23 O ATOM 0 H ASP A 30 17.803 -8.716 -0.558 1.00 0.98 H new ATOM 0 HA ASP A 30 17.981 -9.228 1.598 1.00 1.11 H new ATOM 0 HB2 ASP A 30 20.426 -9.220 0.966 1.00 1.35 H new ATOM 0 HB3 ASP A 30 20.546 -7.549 1.477 1.00 1.35 H new ATOM 510 N ALA A 31 16.735 -7.162 2.399 1.00 0.84 N ATOM 511 CA ALA A 31 16.065 -6.181 3.288 1.00 0.87 C ATOM 512 C ALA A 31 15.025 -7.027 3.977 1.00 0.76 C ATOM 513 O ALA A 31 13.839 -6.788 3.859 1.00 0.75 O ATOM 514 CB ALA A 31 15.376 -5.084 2.485 1.00 0.89 C ATOM 0 H ALA A 31 16.104 -7.765 1.871 1.00 0.84 H new ATOM 0 HA ALA A 31 16.759 -5.676 3.960 1.00 0.87 H new ATOM 0 HB1 ALA A 31 14.895 -4.382 3.166 1.00 0.89 H new ATOM 0 HB2 ALA A 31 16.115 -4.556 1.882 1.00 0.89 H new ATOM 0 HB3 ALA A 31 14.625 -5.528 1.832 1.00 0.89 H new ATOM 520 N ASP A 32 15.521 -8.008 4.675 1.00 0.85 N ATOM 521 CA ASP A 32 14.612 -8.940 5.395 1.00 0.87 C ATOM 522 C ASP A 32 13.774 -8.255 6.445 1.00 0.79 C ATOM 523 O ASP A 32 12.583 -8.461 6.512 1.00 0.74 O ATOM 524 CB ASP A 32 15.380 -10.024 6.110 1.00 1.11 C ATOM 525 CG ASP A 32 14.341 -10.810 6.904 1.00 2.05 C ATOM 526 OD1 ASP A 32 13.494 -11.389 6.243 1.00 2.83 O ATOM 527 OD2 ASP A 32 14.456 -10.782 8.118 1.00 2.57 O ATOM 0 H ASP A 32 16.516 -8.205 4.778 1.00 0.85 H new ATOM 0 HA ASP A 32 13.971 -9.351 4.615 1.00 0.87 H new ATOM 0 HB2 ASP A 32 15.900 -10.668 5.401 1.00 1.11 H new ATOM 0 HB3 ASP A 32 16.137 -9.598 6.769 1.00 1.11 H new ATOM 532 N GLU A 33 14.386 -7.450 7.257 1.00 0.86 N ATOM 533 CA GLU A 33 13.564 -6.788 8.299 1.00 0.90 C ATOM 534 C GLU A 33 12.472 -5.971 7.627 1.00 0.78 C ATOM 535 O GLU A 33 11.340 -5.939 8.071 1.00 0.79 O ATOM 536 CB GLU A 33 14.441 -5.858 9.180 1.00 1.07 C ATOM 537 CG GLU A 33 15.876 -5.665 8.648 1.00 1.58 C ATOM 538 CD GLU A 33 15.845 -4.777 7.411 1.00 1.74 C ATOM 539 OE1 GLU A 33 15.896 -3.582 7.628 1.00 2.11 O ATOM 540 OE2 GLU A 33 15.769 -5.325 6.327 1.00 2.15 O ATOM 0 H GLU A 33 15.381 -7.226 7.250 1.00 0.86 H new ATOM 0 HA GLU A 33 13.120 -7.552 8.938 1.00 0.90 H new ATOM 0 HB2 GLU A 33 13.958 -4.884 9.256 1.00 1.07 H new ATOM 0 HB3 GLU A 33 14.490 -6.269 10.188 1.00 1.07 H new ATOM 0 HG2 GLU A 33 16.503 -5.213 9.417 1.00 1.58 H new ATOM 0 HG3 GLU A 33 16.318 -6.631 8.404 1.00 1.58 H new ATOM 547 N GLN A 34 12.820 -5.319 6.559 1.00 0.71 N ATOM 548 CA GLN A 34 11.771 -4.520 5.889 1.00 0.67 C ATOM 549 C GLN A 34 10.837 -5.486 5.205 1.00 0.57 C ATOM 550 O GLN A 34 9.704 -5.152 4.928 1.00 0.53 O ATOM 551 CB GLN A 34 12.377 -3.596 4.841 1.00 0.72 C ATOM 552 CG GLN A 34 13.423 -2.715 5.506 1.00 0.88 C ATOM 553 CD GLN A 34 12.761 -2.059 6.717 1.00 1.49 C ATOM 554 OE1 GLN A 34 11.733 -1.421 6.593 1.00 2.26 O ATOM 555 NE2 GLN A 34 13.301 -2.186 7.898 1.00 1.80 N ATOM 0 H GLN A 34 13.748 -5.303 6.135 1.00 0.71 H new ATOM 0 HA GLN A 34 11.250 -3.907 6.625 1.00 0.67 H new ATOM 0 HB2 GLN A 34 12.830 -4.180 4.040 1.00 0.72 H new ATOM 0 HB3 GLN A 34 11.600 -2.981 4.386 1.00 0.72 H new ATOM 0 HG2 GLN A 34 14.285 -3.307 5.813 1.00 0.88 H new ATOM 0 HG3 GLN A 34 13.787 -1.959 4.810 1.00 0.88 H new ATOM 0 HE21 GLN A 34 14.163 -2.720 8.010 1.00 1.80 H new ATOM 0 HE22 GLN A 34 12.861 -1.752 8.709 1.00 1.80 H new ATOM 564 N ALA A 35 11.323 -6.663 4.935 1.00 0.58 N ATOM 565 CA ALA A 35 10.428 -7.636 4.266 1.00 0.56 C ATOM 566 C ALA A 35 9.359 -7.970 5.279 1.00 0.56 C ATOM 567 O ALA A 35 8.202 -8.006 4.934 1.00 0.54 O ATOM 568 CB ALA A 35 11.161 -8.927 3.894 1.00 0.65 C ATOM 0 H ALA A 35 12.269 -6.984 5.141 1.00 0.58 H new ATOM 0 HA ALA A 35 10.035 -7.208 3.344 1.00 0.56 H new ATOM 0 HB1 ALA A 35 10.467 -9.612 3.406 1.00 0.65 H new ATOM 0 HB2 ALA A 35 11.982 -8.697 3.215 1.00 0.65 H new ATOM 0 HB3 ALA A 35 11.557 -9.393 4.796 1.00 0.65 H new ATOM 574 N ASP A 36 9.756 -8.203 6.498 1.00 0.62 N ATOM 575 CA ASP A 36 8.733 -8.539 7.530 1.00 0.67 C ATOM 576 C ASP A 36 7.698 -7.454 7.618 1.00 0.60 C ATOM 577 O ASP A 36 6.516 -7.704 7.517 1.00 0.62 O ATOM 578 CB ASP A 36 9.320 -8.655 8.914 1.00 0.79 C ATOM 579 CG ASP A 36 8.120 -8.631 9.862 1.00 1.21 C ATOM 580 OD1 ASP A 36 7.351 -9.576 9.794 1.00 1.67 O ATOM 581 OD2 ASP A 36 8.038 -7.664 10.600 1.00 1.65 O ATOM 0 H ASP A 36 10.723 -8.177 6.822 1.00 0.62 H new ATOM 0 HA ASP A 36 8.310 -9.494 7.218 1.00 0.67 H new ATOM 0 HB2 ASP A 36 9.890 -9.577 9.024 1.00 0.79 H new ATOM 0 HB3 ASP A 36 10.003 -7.831 9.122 1.00 0.79 H new ATOM 586 N ILE A 37 8.174 -6.261 7.811 1.00 0.55 N ATOM 587 CA ILE A 37 7.214 -5.138 7.910 1.00 0.52 C ATOM 588 C ILE A 37 6.401 -5.122 6.619 1.00 0.47 C ATOM 589 O ILE A 37 5.241 -4.768 6.610 1.00 0.50 O ATOM 590 CB ILE A 37 7.999 -3.822 8.082 1.00 0.53 C ATOM 591 CG1 ILE A 37 8.901 -3.892 9.341 1.00 0.68 C ATOM 592 CG2 ILE A 37 7.027 -2.610 8.179 1.00 0.57 C ATOM 593 CD1 ILE A 37 8.068 -4.085 10.615 1.00 1.12 C ATOM 0 H ILE A 37 9.161 -6.019 7.902 1.00 0.55 H new ATOM 0 HA ILE A 37 6.548 -5.251 8.765 1.00 0.52 H new ATOM 0 HB ILE A 37 8.633 -3.684 7.206 1.00 0.53 H new ATOM 0 HG12 ILE A 37 9.608 -4.715 9.239 1.00 0.68 H new ATOM 0 HG13 ILE A 37 9.487 -2.976 9.422 1.00 0.68 H new ATOM 0 HG21 ILE A 37 7.602 -1.692 8.300 1.00 0.57 H new ATOM 0 HG22 ILE A 37 6.431 -2.548 7.269 1.00 0.57 H new ATOM 0 HG23 ILE A 37 6.367 -2.741 9.037 1.00 0.57 H new ATOM 0 HD11 ILE A 37 8.730 -4.130 11.479 1.00 1.12 H new ATOM 0 HD12 ILE A 37 7.379 -3.248 10.729 1.00 1.12 H new ATOM 0 HD13 ILE A 37 7.502 -5.014 10.543 1.00 1.12 H new ATOM 605 N CYS A 38 7.020 -5.510 5.544 1.00 0.45 N ATOM 606 CA CYS A 38 6.262 -5.496 4.270 1.00 0.47 C ATOM 607 C CYS A 38 5.233 -6.610 4.284 1.00 0.50 C ATOM 608 O CYS A 38 4.207 -6.459 3.658 1.00 0.57 O ATOM 609 CB CYS A 38 7.201 -5.712 3.071 1.00 0.48 C ATOM 610 SG CYS A 38 6.472 -5.594 1.418 1.00 0.70 S ATOM 0 H CYS A 38 7.988 -5.827 5.491 1.00 0.45 H new ATOM 0 HA CYS A 38 5.776 -4.525 4.172 1.00 0.47 H new ATOM 0 HB2 CYS A 38 8.007 -4.982 3.138 1.00 0.48 H new ATOM 0 HB3 CYS A 38 7.655 -6.698 3.171 1.00 0.48 H new ATOM 0 HG CYS A 38 6.153 -4.358 1.172 1.00 0.70 H new ATOM 616 N GLU A 39 5.508 -7.681 4.976 1.00 0.54 N ATOM 617 CA GLU A 39 4.530 -8.804 5.014 1.00 0.62 C ATOM 618 C GLU A 39 3.364 -8.421 5.898 1.00 0.58 C ATOM 619 O GLU A 39 2.216 -8.486 5.513 1.00 0.57 O ATOM 620 CB GLU A 39 5.169 -10.069 5.602 1.00 0.75 C ATOM 621 CG GLU A 39 6.313 -10.585 4.732 1.00 1.35 C ATOM 622 CD GLU A 39 5.742 -11.430 3.594 1.00 2.07 C ATOM 623 OE1 GLU A 39 4.793 -10.977 2.977 1.00 2.39 O ATOM 624 OE2 GLU A 39 6.297 -12.498 3.410 1.00 2.82 O ATOM 0 H GLU A 39 6.362 -7.827 5.514 1.00 0.54 H new ATOM 0 HA GLU A 39 4.203 -9.002 3.993 1.00 0.62 H new ATOM 0 HB2 GLU A 39 5.542 -9.855 6.604 1.00 0.75 H new ATOM 0 HB3 GLU A 39 4.411 -10.846 5.703 1.00 0.75 H new ATOM 0 HG2 GLU A 39 6.884 -9.749 4.328 1.00 1.35 H new ATOM 0 HG3 GLU A 39 7.001 -11.180 5.332 1.00 1.35 H new ATOM 631 N SER A 40 3.687 -8.025 7.088 1.00 0.63 N ATOM 632 CA SER A 40 2.607 -7.642 8.013 1.00 0.64 C ATOM 633 C SER A 40 1.794 -6.542 7.342 1.00 0.58 C ATOM 634 O SER A 40 0.595 -6.445 7.505 1.00 0.63 O ATOM 635 CB SER A 40 3.284 -7.188 9.296 1.00 0.72 C ATOM 636 OG SER A 40 4.417 -6.484 8.809 1.00 0.77 O ATOM 0 H SER A 40 4.636 -7.951 7.454 1.00 0.63 H new ATOM 0 HA SER A 40 1.919 -8.453 8.252 1.00 0.64 H new ATOM 0 HB2 SER A 40 2.634 -6.549 9.894 1.00 0.72 H new ATOM 0 HB3 SER A 40 3.569 -8.031 9.925 1.00 0.72 H new ATOM 0 HG SER A 40 4.467 -5.606 9.241 1.00 0.77 H new ATOM 642 N LEU A 41 2.481 -5.734 6.591 1.00 0.54 N ATOM 643 CA LEU A 41 1.776 -4.633 5.894 1.00 0.53 C ATOM 644 C LEU A 41 1.013 -5.223 4.725 1.00 0.50 C ATOM 645 O LEU A 41 -0.063 -4.778 4.383 1.00 0.55 O ATOM 646 CB LEU A 41 2.769 -3.641 5.356 1.00 0.56 C ATOM 647 CG LEU A 41 2.059 -2.371 4.878 1.00 0.63 C ATOM 648 CD1 LEU A 41 1.586 -1.548 6.095 1.00 1.05 C ATOM 649 CD2 LEU A 41 3.051 -1.556 4.059 1.00 1.22 C ATOM 0 H LEU A 41 3.487 -5.787 6.431 1.00 0.54 H new ATOM 0 HA LEU A 41 1.105 -4.132 6.592 1.00 0.53 H new ATOM 0 HB2 LEU A 41 3.495 -3.389 6.129 1.00 0.56 H new ATOM 0 HB3 LEU A 41 3.325 -4.086 4.530 1.00 0.56 H new ATOM 0 HG LEU A 41 1.190 -2.628 4.273 1.00 0.63 H new ATOM 0 HD11 LEU A 41 1.082 -0.645 5.750 1.00 1.05 H new ATOM 0 HD12 LEU A 41 0.895 -2.144 6.691 1.00 1.05 H new ATOM 0 HD13 LEU A 41 2.447 -1.272 6.704 1.00 1.05 H new ATOM 0 HD21 LEU A 41 2.569 -0.644 3.706 1.00 1.22 H new ATOM 0 HD22 LEU A 41 3.909 -1.296 4.680 1.00 1.22 H new ATOM 0 HD23 LEU A 41 3.386 -2.143 3.204 1.00 1.22 H new ATOM 661 N HIS A 42 1.620 -6.216 4.149 1.00 0.50 N ATOM 662 CA HIS A 42 1.024 -6.901 2.966 1.00 0.53 C ATOM 663 C HIS A 42 -0.398 -7.277 3.317 1.00 0.55 C ATOM 664 O HIS A 42 -1.308 -7.055 2.542 1.00 0.63 O ATOM 665 CB HIS A 42 1.817 -8.176 2.633 1.00 0.54 C ATOM 666 CG HIS A 42 1.465 -8.737 1.258 1.00 0.60 C ATOM 667 ND1 HIS A 42 0.724 -8.176 0.358 1.00 0.61 N ATOM 668 CD2 HIS A 42 1.856 -9.935 0.687 1.00 1.21 C ATOM 669 CE1 HIS A 42 0.656 -8.947 -0.681 1.00 0.64 C ATOM 670 NE2 HIS A 42 1.343 -10.050 -0.521 1.00 1.13 N ATOM 0 H HIS A 42 2.519 -6.591 4.450 1.00 0.50 H new ATOM 0 HA HIS A 42 1.051 -6.239 2.100 1.00 0.53 H new ATOM 0 HB2 HIS A 42 2.884 -7.957 2.671 1.00 0.54 H new ATOM 0 HB3 HIS A 42 1.619 -8.932 3.393 1.00 0.54 H new ATOM 0 HD2 HIS A 42 2.490 -10.669 1.162 1.00 1.21 H new ATOM 0 HE1 HIS A 42 0.098 -8.708 -1.574 1.00 0.64 H new ATOM 0 HE2 HIS A 42 1.455 -10.821 -1.180 1.00 1.13 H new ATOM 678 N ASP A 43 -0.550 -7.835 4.483 1.00 0.56 N ATOM 679 CA ASP A 43 -1.911 -8.250 4.911 1.00 0.64 C ATOM 680 C ASP A 43 -2.627 -7.166 5.667 1.00 0.60 C ATOM 681 O ASP A 43 -3.836 -7.185 5.748 1.00 0.62 O ATOM 682 CB ASP A 43 -1.823 -9.474 5.796 1.00 0.80 C ATOM 683 CG ASP A 43 -1.376 -10.605 4.890 1.00 1.22 C ATOM 684 OD1 ASP A 43 -0.187 -10.660 4.639 1.00 1.86 O ATOM 685 OD2 ASP A 43 -2.242 -11.354 4.476 1.00 1.51 O ATOM 0 H ASP A 43 0.199 -8.020 5.150 1.00 0.56 H new ATOM 0 HA ASP A 43 -2.475 -8.467 4.004 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -1.113 -9.319 6.608 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -2.787 -9.697 6.253 1.00 0.80 H new ATOM 690 N HIS A 44 -1.900 -6.238 6.215 1.00 0.60 N ATOM 691 CA HIS A 44 -2.605 -5.155 6.957 1.00 0.63 C ATOM 692 C HIS A 44 -3.439 -4.415 5.927 1.00 0.60 C ATOM 693 O HIS A 44 -4.564 -4.017 6.153 1.00 0.68 O ATOM 694 CB HIS A 44 -1.598 -4.192 7.573 1.00 0.65 C ATOM 695 CG HIS A 44 -2.345 -3.052 8.270 1.00 1.02 C ATOM 696 ND1 HIS A 44 -3.557 -3.105 8.717 1.00 1.67 N ATOM 697 CD2 HIS A 44 -1.927 -1.764 8.571 1.00 1.54 C ATOM 698 CE1 HIS A 44 -3.876 -1.969 9.247 1.00 2.24 C ATOM 699 NE2 HIS A 44 -2.894 -1.105 9.179 1.00 2.16 N ATOM 0 H HIS A 44 -0.882 -6.178 6.186 1.00 0.60 H new ATOM 0 HA HIS A 44 -3.215 -5.565 7.762 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -0.966 -4.718 8.288 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -0.941 -3.792 6.801 1.00 0.65 H new ATOM 0 HD1 HIS A 44 -4.169 -3.919 8.660 1.00 1.67 H new ATOM 0 HD2 HIS A 44 -0.952 -1.360 8.341 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -4.837 -1.758 9.692 1.00 2.24 H new ATOM 707 N ALA A 45 -2.833 -4.257 4.787 1.00 0.57 N ATOM 708 CA ALA A 45 -3.524 -3.547 3.683 1.00 0.62 C ATOM 709 C ALA A 45 -4.651 -4.432 3.199 1.00 0.59 C ATOM 710 O ALA A 45 -5.532 -3.991 2.490 1.00 0.61 O ATOM 711 CB ALA A 45 -2.565 -3.297 2.527 1.00 0.70 C ATOM 0 H ALA A 45 -1.892 -4.588 4.573 1.00 0.57 H new ATOM 0 HA ALA A 45 -3.898 -2.587 4.040 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -3.089 -2.775 1.726 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -1.730 -2.687 2.872 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -2.188 -4.250 2.154 1.00 0.70 H new ATOM 717 N ASP A 46 -4.597 -5.671 3.587 1.00 0.60 N ATOM 718 CA ASP A 46 -5.677 -6.583 3.143 1.00 0.65 C ATOM 719 C ASP A 46 -6.815 -6.432 4.114 1.00 0.65 C ATOM 720 O ASP A 46 -7.960 -6.623 3.773 1.00 0.65 O ATOM 721 CB ASP A 46 -5.275 -8.025 3.189 1.00 0.76 C ATOM 722 CG ASP A 46 -6.284 -8.788 2.331 1.00 0.88 C ATOM 723 OD1 ASP A 46 -7.288 -9.212 2.872 1.00 1.04 O ATOM 724 OD2 ASP A 46 -5.986 -8.904 1.155 1.00 1.45 O ATOM 0 H ASP A 46 -3.873 -6.083 4.176 1.00 0.60 H new ATOM 0 HA ASP A 46 -5.930 -6.323 2.115 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -4.263 -8.157 2.806 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -5.279 -8.396 4.214 1.00 0.76 H new ATOM 729 N GLU A 47 -6.510 -6.091 5.328 1.00 0.71 N ATOM 730 CA GLU A 47 -7.641 -5.953 6.272 1.00 0.81 C ATOM 731 C GLU A 47 -8.566 -4.866 5.762 1.00 0.75 C ATOM 732 O GLU A 47 -9.767 -5.047 5.689 1.00 0.81 O ATOM 733 CB GLU A 47 -7.131 -5.559 7.645 1.00 0.97 C ATOM 734 CG GLU A 47 -6.140 -6.605 8.127 1.00 1.17 C ATOM 735 CD GLU A 47 -5.702 -6.192 9.524 1.00 1.52 C ATOM 736 OE1 GLU A 47 -5.475 -5.004 9.672 1.00 2.02 O ATOM 737 OE2 GLU A 47 -5.625 -7.080 10.353 1.00 1.97 O ATOM 0 H GLU A 47 -5.576 -5.910 5.695 1.00 0.71 H new ATOM 0 HA GLU A 47 -8.169 -6.904 6.347 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.653 -4.580 7.602 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -7.962 -5.477 8.346 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -6.600 -7.593 8.143 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -5.283 -6.663 7.456 1.00 1.17 H new ATOM 744 N LEU A 48 -7.990 -3.751 5.414 1.00 0.72 N ATOM 745 CA LEU A 48 -8.860 -2.658 4.915 1.00 0.77 C ATOM 746 C LEU A 48 -9.474 -3.055 3.587 1.00 0.68 C ATOM 747 O LEU A 48 -10.346 -2.387 3.073 1.00 0.93 O ATOM 748 CB LEU A 48 -8.026 -1.360 4.773 1.00 0.85 C ATOM 749 CG LEU A 48 -6.762 -1.509 3.895 1.00 0.87 C ATOM 750 CD1 LEU A 48 -7.091 -1.416 2.390 1.00 1.52 C ATOM 751 CD2 LEU A 48 -5.771 -0.395 4.263 1.00 1.40 C ATOM 0 H LEU A 48 -6.990 -3.554 5.451 1.00 0.72 H new ATOM 0 HA LEU A 48 -9.668 -2.477 5.624 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -8.659 -0.580 4.349 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -7.727 -1.024 5.766 1.00 0.85 H new ATOM 0 HG LEU A 48 -6.332 -2.493 4.082 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -6.175 -1.526 1.810 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -7.788 -2.209 2.120 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -7.542 -0.447 2.175 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -4.874 -0.489 3.650 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -6.233 0.576 4.084 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -5.502 -0.481 5.316 1.00 1.40 H new ATOM 763 N TYR A 49 -8.995 -4.143 3.057 1.00 0.59 N ATOM 764 CA TYR A 49 -9.536 -4.625 1.768 1.00 0.54 C ATOM 765 C TYR A 49 -10.627 -5.647 2.038 1.00 0.59 C ATOM 766 O TYR A 49 -11.798 -5.347 1.946 1.00 0.82 O ATOM 767 CB TYR A 49 -8.417 -5.274 0.949 1.00 0.61 C ATOM 768 CG TYR A 49 -9.030 -5.992 -0.250 1.00 0.64 C ATOM 769 CD1 TYR A 49 -9.751 -5.297 -1.193 1.00 1.33 C ATOM 770 CD2 TYR A 49 -8.869 -7.353 -0.394 1.00 1.29 C ATOM 771 CE1 TYR A 49 -10.305 -5.951 -2.270 1.00 1.40 C ATOM 772 CE2 TYR A 49 -9.421 -8.010 -1.470 1.00 1.32 C ATOM 773 CZ TYR A 49 -10.145 -7.313 -2.417 1.00 0.85 C ATOM 774 OH TYR A 49 -10.701 -7.959 -3.502 1.00 0.99 O ATOM 0 H TYR A 49 -8.254 -4.715 3.462 1.00 0.59 H new ATOM 0 HA TYR A 49 -9.948 -3.786 1.208 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -7.709 -4.517 0.612 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -7.860 -5.979 1.566 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -9.883 -4.230 -1.088 1.00 1.33 H new ATOM 0 HD2 TYR A 49 -8.306 -7.908 0.342 1.00 1.29 H new ATOM 0 HE1 TYR A 49 -10.868 -5.394 -3.004 1.00 1.40 H new ATOM 0 HE2 TYR A 49 -9.287 -9.077 -1.574 1.00 1.32 H new ATOM 0 HH TYR A 49 -10.494 -8.916 -3.455 1.00 0.99 H new ATOM 784 N ARG A 50 -10.233 -6.840 2.373 1.00 0.71 N ATOM 785 CA ARG A 50 -11.236 -7.901 2.616 1.00 0.95 C ATOM 786 C ARG A 50 -12.100 -7.723 3.858 1.00 1.15 C ATOM 787 O ARG A 50 -13.312 -7.739 3.746 1.00 1.19 O ATOM 788 CB ARG A 50 -10.527 -9.257 2.729 1.00 1.20 C ATOM 789 CG ARG A 50 -11.570 -10.390 2.860 1.00 1.44 C ATOM 790 CD ARG A 50 -12.422 -10.503 1.568 1.00 1.54 C ATOM 791 NE ARG A 50 -13.687 -11.224 1.879 1.00 1.70 N ATOM 792 CZ ARG A 50 -14.807 -10.542 1.783 1.00 1.79 C ATOM 793 NH1 ARG A 50 -15.007 -9.569 2.646 1.00 2.21 N ATOM 794 NH2 ARG A 50 -15.667 -10.857 0.836 1.00 2.29 N ATOM 0 H ARG A 50 -9.260 -7.124 2.488 1.00 0.71 H new ATOM 0 HA ARG A 50 -11.911 -7.842 1.762 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -9.904 -9.425 1.851 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -9.865 -9.259 3.595 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -11.064 -11.336 3.052 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -12.219 -10.197 3.714 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -12.642 -9.510 1.175 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -11.866 -11.035 0.796 1.00 1.54 H new ATOM 0 HE ARG A 50 -13.685 -12.206 2.155 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -14.305 -9.366 3.358 1.00 2.21 H new ATOM 0 HH12 ARG A 50 -15.864 -9.017 2.603 1.00 2.21 H new ATOM 0 HH21 ARG A 50 -15.459 -11.620 0.191 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -16.541 -10.338 0.747 1.00 2.29 H new ATOM 808 N SER A 51 -11.489 -7.571 5.001 1.00 1.40 N ATOM 809 CA SER A 51 -12.318 -7.431 6.227 1.00 1.77 C ATOM 810 C SER A 51 -13.372 -6.365 5.987 1.00 1.70 C ATOM 811 O SER A 51 -14.535 -6.540 6.290 1.00 1.91 O ATOM 812 CB SER A 51 -11.415 -7.040 7.386 1.00 2.04 C ATOM 813 OG SER A 51 -10.329 -7.946 7.242 1.00 2.11 O ATOM 0 H SER A 51 -10.479 -7.538 5.137 1.00 1.40 H new ATOM 0 HA SER A 51 -12.815 -8.371 6.467 1.00 1.77 H new ATOM 0 HB2 SER A 51 -11.091 -6.002 7.317 1.00 2.04 H new ATOM 0 HB3 SER A 51 -11.915 -7.154 8.348 1.00 2.04 H new ATOM 0 HG SER A 51 -9.670 -7.782 7.949 1.00 2.11 H new ATOM 819 N CYS A 52 -12.931 -5.279 5.435 1.00 1.50 N ATOM 820 CA CYS A 52 -13.902 -4.202 5.158 1.00 1.60 C ATOM 821 C CYS A 52 -14.873 -4.707 4.124 1.00 1.30 C ATOM 822 O CYS A 52 -16.060 -4.578 4.318 1.00 1.42 O ATOM 823 CB CYS A 52 -13.151 -2.997 4.637 1.00 1.71 C ATOM 824 SG CYS A 52 -12.024 -2.217 5.815 1.00 2.41 S ATOM 0 H CYS A 52 -11.964 -5.093 5.169 1.00 1.50 H new ATOM 0 HA CYS A 52 -14.446 -3.916 6.058 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -12.580 -3.298 3.759 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -13.876 -2.253 4.307 1.00 1.71 H new ATOM 0 HG CYS A 52 -11.410 -3.135 6.501 1.00 2.41 H new ATOM 830 N LEU A 53 -14.367 -5.273 3.068 1.00 1.00 N ATOM 831 CA LEU A 53 -15.269 -5.768 1.991 1.00 0.95 C ATOM 832 C LEU A 53 -16.404 -6.612 2.549 1.00 1.09 C ATOM 833 O LEU A 53 -17.414 -6.769 1.889 1.00 1.19 O ATOM 834 CB LEU A 53 -14.460 -6.603 0.984 1.00 0.98 C ATOM 835 CG LEU A 53 -15.345 -7.086 -0.185 1.00 1.21 C ATOM 836 CD1 LEU A 53 -16.060 -5.893 -0.861 1.00 1.56 C ATOM 837 CD2 LEU A 53 -14.433 -7.755 -1.217 1.00 1.58 C ATOM 0 H LEU A 53 -13.371 -5.415 2.902 1.00 1.00 H new ATOM 0 HA LEU A 53 -15.706 -4.900 1.497 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -13.634 -6.007 0.595 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -14.022 -7.463 1.491 1.00 0.98 H new ATOM 0 HG LEU A 53 -16.099 -7.777 0.193 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -16.678 -6.257 -1.682 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -16.689 -5.385 -0.131 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -15.317 -5.195 -1.248 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -15.031 -8.108 -2.057 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -13.697 -7.035 -1.573 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -13.921 -8.600 -0.757 1.00 1.58 H new ATOM 849 N ALA A 54 -16.217 -7.144 3.729 1.00 1.32 N ATOM 850 CA ALA A 54 -17.317 -7.945 4.337 1.00 1.66 C ATOM 851 C ALA A 54 -18.544 -7.049 4.254 1.00 1.77 C ATOM 852 O ALA A 54 -19.560 -7.416 3.705 1.00 2.00 O ATOM 853 CB ALA A 54 -17.018 -8.248 5.798 1.00 1.85 C ATOM 0 H ALA A 54 -15.368 -7.061 4.288 1.00 1.32 H new ATOM 0 HA ALA A 54 -17.449 -8.898 3.825 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -17.834 -8.833 6.222 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -16.089 -8.814 5.869 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -16.917 -7.314 6.350 1.00 1.85 H new ATOM 859 N ARG A 55 -18.404 -5.882 4.811 1.00 1.75 N ATOM 860 CA ARG A 55 -19.528 -4.915 4.763 1.00 1.93 C ATOM 861 C ARG A 55 -19.252 -4.132 3.491 1.00 1.58 C ATOM 862 O ARG A 55 -19.867 -4.302 2.455 1.00 1.71 O ATOM 863 CB ARG A 55 -19.486 -3.970 5.999 1.00 2.36 C ATOM 864 CG ARG A 55 -20.552 -2.863 5.802 1.00 2.73 C ATOM 865 CD ARG A 55 -20.599 -1.906 7.021 1.00 3.04 C ATOM 866 NE ARG A 55 -21.411 -0.705 6.672 1.00 2.92 N ATOM 867 CZ ARG A 55 -20.827 0.386 6.217 1.00 3.13 C ATOM 868 NH1 ARG A 55 -19.720 0.273 5.510 1.00 3.41 N ATOM 869 NH2 ARG A 55 -21.376 1.547 6.493 1.00 3.65 N ATOM 0 H ARG A 55 -17.566 -5.558 5.294 1.00 1.75 H new ATOM 0 HA ARG A 55 -20.508 -5.392 4.774 1.00 1.93 H new ATOM 0 HB2 ARG A 55 -19.685 -4.531 6.912 1.00 2.36 H new ATOM 0 HB3 ARG A 55 -18.495 -3.528 6.106 1.00 2.36 H new ATOM 0 HG2 ARG A 55 -20.328 -2.295 4.899 1.00 2.73 H new ATOM 0 HG3 ARG A 55 -21.531 -3.319 5.657 1.00 2.73 H new ATOM 0 HD2 ARG A 55 -21.033 -2.415 7.882 1.00 3.04 H new ATOM 0 HD3 ARG A 55 -19.589 -1.607 7.303 1.00 3.04 H new ATOM 0 HE ARG A 55 -22.424 -0.728 6.786 1.00 2.92 H new ATOM 0 HH11 ARG A 55 -19.327 -0.649 5.322 1.00 3.41 H new ATOM 0 HH12 ARG A 55 -19.257 1.108 5.151 1.00 3.41 H new ATOM 0 HH21 ARG A 55 -22.232 1.588 7.046 1.00 3.65 H new ATOM 0 HH22 ARG A 55 -20.946 2.408 6.154 1.00 3.65 H new ATOM 883 N PHE A 56 -18.280 -3.298 3.686 1.00 1.42 N ATOM 884 CA PHE A 56 -17.712 -2.351 2.713 1.00 1.63 C ATOM 885 C PHE A 56 -17.184 -1.342 3.701 1.00 2.45 C ATOM 886 O PHE A 56 -17.661 -0.230 3.774 1.00 3.11 O ATOM 887 CB PHE A 56 -18.740 -1.644 1.836 1.00 1.48 C ATOM 888 CG PHE A 56 -17.896 -0.695 0.989 1.00 1.19 C ATOM 889 CD1 PHE A 56 -16.941 -1.213 0.141 1.00 1.30 C ATOM 890 CD2 PHE A 56 -18.054 0.676 1.067 1.00 1.63 C ATOM 891 CE1 PHE A 56 -16.156 -0.383 -0.618 1.00 1.24 C ATOM 892 CE2 PHE A 56 -17.266 1.510 0.305 1.00 1.51 C ATOM 893 CZ PHE A 56 -16.315 0.981 -0.540 1.00 0.99 C ATOM 0 H PHE A 56 -17.811 -3.238 4.590 1.00 1.42 H new ATOM 0 HA PHE A 56 -17.032 -2.820 2.002 1.00 1.63 H new ATOM 0 HB2 PHE A 56 -19.293 -2.351 1.217 1.00 1.48 H new ATOM 0 HB3 PHE A 56 -19.473 -1.103 2.434 1.00 1.48 H new ATOM 0 HD1 PHE A 56 -16.809 -2.283 0.073 1.00 1.30 H new ATOM 0 HD2 PHE A 56 -18.798 1.095 1.728 1.00 1.63 H new ATOM 0 HE1 PHE A 56 -15.411 -0.802 -1.279 1.00 1.24 H new ATOM 0 HE2 PHE A 56 -17.394 2.580 0.370 1.00 1.51 H new ATOM 0 HZ PHE A 56 -15.697 1.634 -1.138 1.00 0.99 H new ATOM 903 N GLY A 57 -16.217 -1.790 4.445 1.00 2.70 N ATOM 904 CA GLY A 57 -15.605 -0.921 5.476 1.00 3.77 C ATOM 905 C GLY A 57 -16.709 -0.282 6.273 1.00 4.43 C ATOM 906 O GLY A 57 -17.712 -0.925 6.498 1.00 4.85 O ATOM 0 H GLY A 57 -15.823 -2.729 4.381 1.00 2.70 H new ATOM 0 HA2 GLY A 57 -14.956 -1.505 6.128 1.00 3.77 H new ATOM 0 HA3 GLY A 57 -14.984 -0.157 5.008 1.00 3.77 H new ATOM 910 N ASP A 58 -16.426 0.941 6.629 1.00 4.82 N ATOM 911 CA ASP A 58 -17.284 1.890 7.404 1.00 5.78 C ATOM 912 C ASP A 58 -18.401 1.315 8.265 1.00 6.31 C ATOM 913 O ASP A 58 -18.429 0.165 8.651 1.00 6.58 O ATOM 914 CB ASP A 58 -17.919 2.894 6.429 1.00 6.24 C ATOM 915 CG ASP A 58 -17.027 3.027 5.197 1.00 6.76 C ATOM 916 OD1 ASP A 58 -15.931 3.550 5.323 1.00 7.19 O ATOM 917 OD2 ASP A 58 -17.511 2.579 4.172 1.00 6.88 O ATOM 0 H ASP A 58 -15.531 1.363 6.382 1.00 4.82 H new ATOM 0 HA ASP A 58 -16.587 2.327 8.119 1.00 5.78 H new ATOM 0 HB2 ASP A 58 -18.914 2.558 6.138 1.00 6.24 H new ATOM 0 HB3 ASP A 58 -18.039 3.863 6.913 1.00 6.24 H new ATOM 922 N ASP A 59 -19.323 2.193 8.546 1.00 6.74 N ATOM 923 CA ASP A 59 -20.509 1.850 9.379 1.00 7.58 C ATOM 924 C ASP A 59 -21.467 2.987 9.073 1.00 8.01 C ATOM 925 O ASP A 59 -21.217 3.723 8.139 1.00 8.18 O ATOM 926 CB ASP A 59 -20.127 1.854 10.864 1.00 8.09 C ATOM 927 CG ASP A 59 -21.350 1.558 11.725 1.00 8.40 C ATOM 928 OD1 ASP A 59 -22.110 0.679 11.353 1.00 8.56 O ATOM 929 OD2 ASP A 59 -21.462 2.249 12.720 1.00 8.62 O ATOM 0 H ASP A 59 -19.302 3.161 8.224 1.00 6.74 H new ATOM 0 HA ASP A 59 -20.925 0.864 9.171 1.00 7.58 H new ATOM 0 HB2 ASP A 59 -19.354 1.108 11.050 1.00 8.09 H new ATOM 0 HB3 ASP A 59 -19.708 2.823 11.136 1.00 8.09 H new ATOM 934 N GLY A 60 -22.518 3.135 9.819 1.00 8.32 N ATOM 935 CA GLY A 60 -23.471 4.230 9.555 1.00 8.93 C ATOM 936 C GLY A 60 -24.830 3.619 9.814 1.00 9.28 C ATOM 937 O GLY A 60 -25.818 4.308 9.977 1.00 9.74 O ATOM 0 H GLY A 60 -22.757 2.535 10.609 1.00 8.32 H new ATOM 0 HA2 GLY A 60 -23.288 5.082 10.209 1.00 8.93 H new ATOM 0 HA3 GLY A 60 -23.387 4.591 8.530 1.00 8.93 H new ATOM 941 N GLU A 61 -24.827 2.318 9.845 1.00 9.25 N ATOM 942 CA GLU A 61 -26.089 1.593 10.080 1.00 9.85 C ATOM 943 C GLU A 61 -26.179 1.330 11.571 1.00 10.44 C ATOM 944 O GLU A 61 -27.254 1.292 12.138 1.00 10.96 O ATOM 945 CB GLU A 61 -26.067 0.269 9.312 1.00 9.95 C ATOM 946 CG GLU A 61 -25.814 0.517 7.805 1.00 9.52 C ATOM 947 CD GLU A 61 -24.376 0.978 7.573 1.00 9.36 C ATOM 948 OE1 GLU A 61 -23.501 0.367 8.158 1.00 9.60 O ATOM 949 OE2 GLU A 61 -24.207 1.922 6.825 1.00 9.14 O ATOM 0 H GLU A 61 -24.003 1.731 9.717 1.00 9.25 H new ATOM 0 HA GLU A 61 -26.948 2.172 9.739 1.00 9.85 H new ATOM 0 HB2 GLU A 61 -25.288 -0.379 9.715 1.00 9.95 H new ATOM 0 HB3 GLU A 61 -27.015 -0.251 9.446 1.00 9.95 H new ATOM 0 HG2 GLU A 61 -26.004 -0.397 7.243 1.00 9.52 H new ATOM 0 HG3 GLU A 61 -26.508 1.270 7.433 1.00 9.52 H new ATOM 956 N ASN A 62 -25.042 1.147 12.179 1.00 10.52 N ATOM 957 CA ASN A 62 -25.067 0.883 13.641 1.00 11.24 C ATOM 958 C ASN A 62 -25.186 2.239 14.302 1.00 11.48 C ATOM 959 O ASN A 62 -24.802 3.230 13.714 1.00 11.62 O ATOM 960 CB ASN A 62 -23.773 0.219 14.089 1.00 11.72 C ATOM 961 CG ASN A 62 -23.925 -0.210 15.549 1.00 12.30 C ATOM 962 OD1 ASN A 62 -23.796 0.677 16.495 1.00 12.60 O flip ATOM 963 ND2 ASN A 62 -24.166 -1.366 15.839 1.00 12.60 N flip ATOM 0 H ASN A 62 -24.121 1.168 11.742 1.00 10.52 H new ATOM 0 HA ASN A 62 -25.889 0.218 13.905 1.00 11.24 H new ATOM 0 HB2 ASN A 62 -23.554 -0.645 13.462 1.00 11.72 H new ATOM 0 HB3 ASN A 62 -22.937 0.910 13.983 1.00 11.72 H new ATOM 0 HD21 ASN A 62 -24.268 -2.066 15.104 1.00 12.60 H new ATOM 0 HD22 ASN A 62 -24.266 -1.636 16.817 1.00 12.60 H new ATOM 970 N LEU A 63 -25.708 2.263 15.494 1.00 11.67 N ATOM 971 CA LEU A 63 -25.856 3.548 16.216 1.00 12.09 C ATOM 972 C LEU A 63 -25.883 3.238 17.700 1.00 12.33 C ATOM 973 O LEU A 63 -25.604 2.084 17.978 1.00 12.50 O ATOM 974 CB LEU A 63 -27.167 4.244 15.767 1.00 12.49 C ATOM 975 CG LEU A 63 -28.364 3.263 15.588 1.00 12.64 C ATOM 976 CD1 LEU A 63 -28.766 2.571 16.904 1.00 12.78 C ATOM 977 CD2 LEU A 63 -29.570 4.063 15.069 1.00 12.96 C ATOM 978 OXT LEU A 63 -26.174 4.146 18.455 1.00 12.46 O ATOM 0 H LEU A 63 -26.040 1.442 16.000 1.00 11.67 H new ATOM 0 HA LEU A 63 -25.029 4.223 15.997 1.00 12.09 H new ATOM 0 HB2 LEU A 63 -27.436 5.002 16.502 1.00 12.49 H new ATOM 0 HB3 LEU A 63 -26.989 4.763 14.825 1.00 12.49 H new ATOM 0 HG LEU A 63 -28.057 2.486 14.888 1.00 12.64 H new ATOM 0 HD11 LEU A 63 -29.604 1.899 16.720 1.00 12.78 H new ATOM 0 HD12 LEU A 63 -27.921 2.000 17.288 1.00 12.78 H new ATOM 0 HD13 LEU A 63 -29.058 3.324 17.636 1.00 12.78 H new ATOM 0 HD21 LEU A 63 -30.420 3.394 14.936 1.00 12.96 H new ATOM 0 HD22 LEU A 63 -29.828 4.840 15.789 1.00 12.96 H new ATOM 0 HD23 LEU A 63 -29.318 4.523 14.113 1.00 12.96 H new TER 990 LEU A 63 ATOM 991 N MET B 1 24.276 -0.023 -2.558 1.00 3.37 N ATOM 992 CA MET B 1 24.964 1.289 -2.552 1.00 3.57 C ATOM 993 C MET B 1 24.961 1.696 -4.007 1.00 3.47 C ATOM 994 O MET B 1 25.987 1.970 -4.594 1.00 4.06 O ATOM 995 CB MET B 1 26.413 1.168 -2.070 1.00 3.97 C ATOM 996 CG MET B 1 26.455 0.738 -0.593 1.00 4.33 C ATOM 997 SD MET B 1 25.609 -0.789 -0.110 1.00 4.83 S ATOM 998 CE MET B 1 24.128 -0.058 0.631 1.00 5.37 C ATOM 0 H1 MET B 1 24.722 -0.652 -1.860 1.00 3.37 H new ATOM 0 H2 MET B 1 23.274 0.109 -2.314 1.00 3.37 H new ATOM 0 H3 MET B 1 24.349 -0.449 -3.504 1.00 3.37 H new ATOM 0 HA MET B 1 24.474 1.999 -1.886 1.00 3.57 H new ATOM 0 HB2 MET B 1 26.947 0.441 -2.682 1.00 3.97 H new ATOM 0 HB3 MET B 1 26.924 2.123 -2.192 1.00 3.97 H new ATOM 0 HG2 MET B 1 27.502 0.641 -0.306 1.00 4.33 H new ATOM 0 HG3 MET B 1 26.036 1.551 0.000 1.00 4.33 H new ATOM 0 HE1 MET B 1 23.364 -0.826 0.749 1.00 5.37 H new ATOM 0 HE2 MET B 1 24.377 0.359 1.607 1.00 5.37 H new ATOM 0 HE3 MET B 1 23.750 0.733 -0.016 1.00 5.37 H new ATOM 1010 N THR B 2 23.779 1.717 -4.539 1.00 2.92 N ATOM 1011 CA THR B 2 23.592 2.068 -5.953 1.00 2.99 C ATOM 1012 C THR B 2 22.339 2.940 -5.963 1.00 2.72 C ATOM 1013 O THR B 2 21.771 3.181 -4.914 1.00 2.84 O ATOM 1014 CB THR B 2 23.432 0.749 -6.665 1.00 3.22 C ATOM 1015 OG1 THR B 2 23.601 -0.166 -5.584 1.00 3.49 O ATOM 1016 CG2 THR B 2 24.626 0.473 -7.590 1.00 4.02 C ATOM 0 H THR B 2 22.919 1.500 -4.036 1.00 2.92 H new ATOM 0 HA THR B 2 24.398 2.615 -6.441 1.00 2.99 H new ATOM 0 HB THR B 2 22.509 0.700 -7.243 1.00 3.22 H new ATOM 0 HG1 THR B 2 22.800 -0.156 -5.019 1.00 3.49 H new ATOM 0 HG21 THR B 2 24.484 -0.485 -8.091 1.00 4.02 H new ATOM 0 HG22 THR B 2 24.700 1.265 -8.335 1.00 4.02 H new ATOM 0 HG23 THR B 2 25.543 0.443 -7.001 1.00 4.02 H new ATOM 1024 N LYS B 3 21.936 3.397 -7.114 1.00 2.63 N ATOM 1025 CA LYS B 3 20.705 4.226 -7.131 1.00 2.60 C ATOM 1026 C LYS B 3 19.560 3.251 -7.332 1.00 2.17 C ATOM 1027 O LYS B 3 18.455 3.501 -6.905 1.00 2.07 O ATOM 1028 CB LYS B 3 20.694 5.208 -8.301 1.00 3.03 C ATOM 1029 CG LYS B 3 19.661 6.310 -7.970 1.00 3.61 C ATOM 1030 CD LYS B 3 19.361 7.177 -9.204 1.00 3.98 C ATOM 1031 CE LYS B 3 18.327 6.455 -10.098 1.00 4.65 C ATOM 1032 NZ LYS B 3 17.061 6.203 -9.346 1.00 4.95 N ATOM 0 H LYS B 3 22.388 3.239 -8.014 1.00 2.63 H new ATOM 0 HA LYS B 3 20.635 4.805 -6.210 1.00 2.60 H new ATOM 0 HB2 LYS B 3 21.683 5.641 -8.448 1.00 3.03 H new ATOM 0 HB3 LYS B 3 20.428 4.699 -9.227 1.00 3.03 H new ATOM 0 HG2 LYS B 3 18.739 5.852 -7.611 1.00 3.61 H new ATOM 0 HG3 LYS B 3 20.040 6.938 -7.164 1.00 3.61 H new ATOM 0 HD2 LYS B 3 18.976 8.149 -8.895 1.00 3.98 H new ATOM 0 HD3 LYS B 3 20.277 7.361 -9.765 1.00 3.98 H new ATOM 0 HE2 LYS B 3 18.117 7.060 -10.980 1.00 4.65 H new ATOM 0 HE3 LYS B 3 18.741 5.510 -10.450 1.00 4.65 H new ATOM 0 HZ1 LYS B 3 16.247 6.455 -9.942 1.00 4.95 H new ATOM 0 HZ2 LYS B 3 17.004 5.197 -9.090 1.00 4.95 H new ATOM 0 HZ3 LYS B 3 17.050 6.781 -8.482 1.00 4.95 H new ATOM 1046 N GLN B 4 19.865 2.165 -7.988 1.00 2.02 N ATOM 1047 CA GLN B 4 18.828 1.131 -8.273 1.00 1.74 C ATOM 1048 C GLN B 4 17.975 0.850 -7.050 1.00 1.34 C ATOM 1049 O GLN B 4 16.768 0.950 -7.090 1.00 1.25 O ATOM 1050 CB GLN B 4 19.488 -0.173 -8.698 1.00 1.87 C ATOM 1051 CG GLN B 4 20.356 0.044 -9.934 1.00 2.66 C ATOM 1052 CD GLN B 4 20.969 -1.318 -10.260 1.00 3.34 C ATOM 1053 OE1 GLN B 4 20.398 -2.340 -9.936 1.00 3.63 O ATOM 1054 NE2 GLN B 4 22.112 -1.388 -10.885 1.00 4.09 N ATOM 0 H GLN B 4 20.796 1.947 -8.342 1.00 2.02 H new ATOM 0 HA GLN B 4 18.197 1.520 -9.072 1.00 1.74 H new ATOM 0 HB2 GLN B 4 20.098 -0.561 -7.882 1.00 1.87 H new ATOM 0 HB3 GLN B 4 18.724 -0.922 -8.910 1.00 1.87 H new ATOM 0 HG2 GLN B 4 19.761 0.414 -10.769 1.00 2.66 H new ATOM 0 HG3 GLN B 4 21.132 0.785 -9.741 1.00 2.66 H new ATOM 0 HE21 GLN B 4 22.596 -0.533 -11.160 1.00 4.09 H new ATOM 0 HE22 GLN B 4 22.521 -2.297 -11.099 1.00 4.09 H new ATOM 1063 N GLU B 5 18.649 0.503 -5.998 1.00 1.21 N ATOM 1064 CA GLU B 5 17.953 0.186 -4.731 1.00 0.96 C ATOM 1065 C GLU B 5 17.024 1.337 -4.333 1.00 0.95 C ATOM 1066 O GLU B 5 15.911 1.140 -3.888 1.00 0.82 O ATOM 1067 CB GLU B 5 19.071 -0.084 -3.720 1.00 1.13 C ATOM 1068 CG GLU B 5 19.956 1.157 -3.597 1.00 1.56 C ATOM 1069 CD GLU B 5 21.300 0.760 -3.007 1.00 1.97 C ATOM 1070 OE1 GLU B 5 21.819 -0.233 -3.476 1.00 2.36 O ATOM 1071 OE2 GLU B 5 21.769 1.460 -2.127 1.00 2.53 O ATOM 0 H GLU B 5 19.665 0.425 -5.962 1.00 1.21 H new ATOM 0 HA GLU B 5 17.299 -0.683 -4.801 1.00 0.96 H new ATOM 0 HB2 GLU B 5 18.645 -0.338 -2.749 1.00 1.13 H new ATOM 0 HB3 GLU B 5 19.667 -0.939 -4.040 1.00 1.13 H new ATOM 0 HG2 GLU B 5 20.097 1.616 -4.576 1.00 1.56 H new ATOM 0 HG3 GLU B 5 19.473 1.901 -2.963 1.00 1.56 H new ATOM 1078 N LYS B 6 17.509 2.531 -4.511 1.00 1.22 N ATOM 1079 CA LYS B 6 16.672 3.701 -4.145 1.00 1.36 C ATOM 1080 C LYS B 6 15.445 3.680 -5.041 1.00 1.20 C ATOM 1081 O LYS B 6 14.352 3.989 -4.612 1.00 1.18 O ATOM 1082 CB LYS B 6 17.443 5.004 -4.386 1.00 1.75 C ATOM 1083 CG LYS B 6 18.801 4.984 -3.650 1.00 2.49 C ATOM 1084 CD LYS B 6 18.565 4.966 -2.134 1.00 2.98 C ATOM 1085 CE LYS B 6 19.916 5.051 -1.412 1.00 3.67 C ATOM 1086 NZ LYS B 6 20.823 3.947 -1.839 1.00 3.78 N ATOM 0 H LYS B 6 18.432 2.745 -4.887 1.00 1.22 H new ATOM 0 HA LYS B 6 16.397 3.650 -3.091 1.00 1.36 H new ATOM 0 HB2 LYS B 6 17.606 5.143 -5.455 1.00 1.75 H new ATOM 0 HB3 LYS B 6 16.850 5.851 -4.041 1.00 1.75 H new ATOM 0 HG2 LYS B 6 19.375 4.107 -3.949 1.00 2.49 H new ATOM 0 HG3 LYS B 6 19.389 5.859 -3.926 1.00 2.49 H new ATOM 0 HD2 LYS B 6 17.930 5.803 -1.843 1.00 2.98 H new ATOM 0 HD3 LYS B 6 18.042 4.054 -1.846 1.00 2.98 H new ATOM 0 HE2 LYS B 6 20.384 6.013 -1.622 1.00 3.67 H new ATOM 0 HE3 LYS B 6 19.760 5.001 -0.334 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 21.741 4.048 -1.361 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 20.399 3.032 -1.585 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 20.962 3.991 -2.869 1.00 3.78 H new ATOM 1100 N THR B 7 15.667 3.311 -6.265 1.00 1.23 N ATOM 1101 CA THR B 7 14.547 3.271 -7.226 1.00 1.25 C ATOM 1102 C THR B 7 13.539 2.226 -6.748 1.00 0.98 C ATOM 1103 O THR B 7 12.348 2.379 -6.939 1.00 0.93 O ATOM 1104 CB THR B 7 15.125 2.909 -8.589 1.00 1.53 C ATOM 1105 OG1 THR B 7 16.397 3.548 -8.580 1.00 1.77 O ATOM 1106 CG2 THR B 7 14.354 3.634 -9.703 1.00 1.82 C ATOM 0 H THR B 7 16.575 3.036 -6.639 1.00 1.23 H new ATOM 0 HA THR B 7 14.034 4.230 -7.300 1.00 1.25 H new ATOM 0 HB THR B 7 15.113 1.831 -8.752 1.00 1.53 H new ATOM 0 HG1 THR B 7 16.858 3.372 -9.427 1.00 1.77 H new ATOM 0 HG21 THR B 7 14.777 3.367 -10.671 1.00 1.82 H new ATOM 0 HG22 THR B 7 13.305 3.339 -9.671 1.00 1.82 H new ATOM 0 HG23 THR B 7 14.432 4.711 -9.558 1.00 1.82 H new ATOM 1114 N ALA B 8 14.029 1.186 -6.135 1.00 0.87 N ATOM 1115 CA ALA B 8 13.069 0.157 -5.663 1.00 0.79 C ATOM 1116 C ALA B 8 12.179 0.859 -4.666 1.00 0.62 C ATOM 1117 O ALA B 8 10.973 0.720 -4.690 1.00 0.70 O ATOM 1118 CB ALA B 8 13.790 -0.990 -4.962 1.00 0.81 C ATOM 0 H ALA B 8 15.015 1.008 -5.946 1.00 0.87 H new ATOM 0 HA ALA B 8 12.516 -0.267 -6.501 1.00 0.79 H new ATOM 0 HB1 ALA B 8 13.061 -1.728 -4.628 1.00 0.81 H new ATOM 0 HB2 ALA B 8 14.488 -1.459 -5.655 1.00 0.81 H new ATOM 0 HB3 ALA B 8 14.337 -0.604 -4.102 1.00 0.81 H new ATOM 1124 N LEU B 9 12.788 1.609 -3.797 1.00 0.59 N ATOM 1125 CA LEU B 9 11.929 2.316 -2.817 1.00 0.73 C ATOM 1126 C LEU B 9 11.074 3.343 -3.543 1.00 0.60 C ATOM 1127 O LEU B 9 9.987 3.655 -3.103 1.00 0.61 O ATOM 1128 CB LEU B 9 12.782 3.043 -1.763 1.00 1.09 C ATOM 1129 CG LEU B 9 13.197 2.165 -0.569 1.00 1.65 C ATOM 1130 CD1 LEU B 9 12.034 1.335 0.004 1.00 1.96 C ATOM 1131 CD2 LEU B 9 14.302 1.240 -1.003 1.00 2.37 C ATOM 0 H LEU B 9 13.794 1.760 -3.722 1.00 0.59 H new ATOM 0 HA LEU B 9 11.300 1.578 -2.318 1.00 0.73 H new ATOM 0 HB2 LEU B 9 13.680 3.430 -2.244 1.00 1.09 H new ATOM 0 HB3 LEU B 9 12.224 3.902 -1.391 1.00 1.09 H new ATOM 0 HG LEU B 9 13.531 2.834 0.224 1.00 1.65 H new ATOM 0 HD11 LEU B 9 12.392 0.738 0.843 1.00 1.96 H new ATOM 0 HD12 LEU B 9 11.244 2.003 0.345 1.00 1.96 H new ATOM 0 HD13 LEU B 9 11.642 0.675 -0.770 1.00 1.96 H new ATOM 0 HD21 LEU B 9 14.603 0.614 -0.163 1.00 2.37 H new ATOM 0 HD22 LEU B 9 13.949 0.609 -1.818 1.00 2.37 H new ATOM 0 HD23 LEU B 9 15.156 1.827 -1.342 1.00 2.37 H new ATOM 1143 N ASN B 10 11.549 3.862 -4.638 1.00 0.60 N ATOM 1144 CA ASN B 10 10.702 4.868 -5.340 1.00 0.63 C ATOM 1145 C ASN B 10 9.422 4.174 -5.737 1.00 0.57 C ATOM 1146 O ASN B 10 8.373 4.782 -5.785 1.00 0.57 O ATOM 1147 CB ASN B 10 11.375 5.393 -6.614 1.00 0.76 C ATOM 1148 CG ASN B 10 12.667 6.140 -6.262 1.00 1.34 C ATOM 1149 OD1 ASN B 10 12.986 6.333 -5.010 1.00 1.67 O flip ATOM 1150 ND2 ASN B 10 13.407 6.560 -7.132 1.00 2.15 N flip ATOM 0 H ASN B 10 12.450 3.647 -5.066 1.00 0.60 H new ATOM 0 HA ASN B 10 10.532 5.714 -4.675 1.00 0.63 H new ATOM 0 HB2 ASN B 10 11.598 4.563 -7.285 1.00 0.76 H new ATOM 0 HB3 ASN B 10 10.695 6.059 -7.145 1.00 0.76 H new ATOM 0 HD21 ASN B 10 13.172 6.417 -8.114 1.00 2.15 H new ATOM 0 HD22 ASN B 10 14.262 7.055 -6.879 1.00 2.15 H new ATOM 1157 N MET B 11 9.528 2.906 -6.012 1.00 0.60 N ATOM 1158 CA MET B 11 8.294 2.184 -6.396 1.00 0.65 C ATOM 1159 C MET B 11 7.365 2.266 -5.199 1.00 0.62 C ATOM 1160 O MET B 11 6.188 2.524 -5.335 1.00 0.68 O ATOM 1161 CB MET B 11 8.607 0.718 -6.705 1.00 0.77 C ATOM 1162 CG MET B 11 7.335 0.021 -7.198 1.00 1.18 C ATOM 1163 SD MET B 11 6.472 0.768 -8.604 1.00 1.98 S ATOM 1164 CE MET B 11 7.679 0.359 -9.888 1.00 2.42 C ATOM 0 H MET B 11 10.387 2.356 -5.989 1.00 0.60 H new ATOM 0 HA MET B 11 7.845 2.622 -7.288 1.00 0.65 H new ATOM 0 HB2 MET B 11 9.388 0.653 -7.463 1.00 0.77 H new ATOM 0 HB3 MET B 11 8.986 0.219 -5.813 1.00 0.77 H new ATOM 0 HG2 MET B 11 7.594 -1.003 -7.466 1.00 1.18 H new ATOM 0 HG3 MET B 11 6.636 -0.035 -6.364 1.00 1.18 H new ATOM 0 HE1 MET B 11 8.060 1.277 -10.335 1.00 2.42 H new ATOM 0 HE2 MET B 11 8.504 -0.200 -9.447 1.00 2.42 H new ATOM 0 HE3 MET B 11 7.201 -0.247 -10.657 1.00 2.42 H new ATOM 1174 N ALA B 12 7.921 2.049 -4.041 1.00 0.58 N ATOM 1175 CA ALA B 12 7.066 2.104 -2.825 1.00 0.62 C ATOM 1176 C ALA B 12 6.426 3.472 -2.716 1.00 0.56 C ATOM 1177 O ALA B 12 5.307 3.588 -2.254 1.00 0.57 O ATOM 1178 CB ALA B 12 7.892 1.861 -1.560 1.00 0.67 C ATOM 0 H ALA B 12 8.907 1.841 -3.885 1.00 0.58 H new ATOM 0 HA ALA B 12 6.307 1.327 -2.914 1.00 0.62 H new ATOM 0 HB1 ALA B 12 7.242 1.907 -0.686 1.00 0.67 H new ATOM 0 HB2 ALA B 12 8.359 0.877 -1.614 1.00 0.67 H new ATOM 0 HB3 ALA B 12 8.665 2.625 -1.478 1.00 0.67 H new ATOM 1184 N ARG B 13 7.141 4.477 -3.139 1.00 0.53 N ATOM 1185 CA ARG B 13 6.554 5.838 -3.054 1.00 0.50 C ATOM 1186 C ARG B 13 5.352 5.873 -3.971 1.00 0.49 C ATOM 1187 O ARG B 13 4.340 6.451 -3.634 1.00 0.51 O ATOM 1188 CB ARG B 13 7.580 6.904 -3.510 1.00 0.51 C ATOM 1189 CG ARG B 13 6.938 8.298 -3.776 1.00 0.61 C ATOM 1190 CD ARG B 13 6.524 9.048 -2.489 1.00 1.07 C ATOM 1191 NE ARG B 13 5.610 8.223 -1.655 1.00 1.86 N ATOM 1192 CZ ARG B 13 5.869 8.175 -0.368 1.00 2.52 C ATOM 1193 NH1 ARG B 13 7.070 7.767 -0.028 1.00 3.15 N ATOM 1194 NH2 ARG B 13 4.948 8.534 0.504 1.00 3.08 N ATOM 0 H ARG B 13 8.081 4.417 -3.530 1.00 0.53 H new ATOM 0 HA ARG B 13 6.271 6.058 -2.025 1.00 0.50 H new ATOM 0 HB2 ARG B 13 8.352 7.006 -2.747 1.00 0.51 H new ATOM 0 HB3 ARG B 13 8.074 6.559 -4.419 1.00 0.51 H new ATOM 0 HG2 ARG B 13 7.645 8.913 -4.333 1.00 0.61 H new ATOM 0 HG3 ARG B 13 6.060 8.169 -4.409 1.00 0.61 H new ATOM 0 HD2 ARG B 13 7.413 9.305 -1.913 1.00 1.07 H new ATOM 0 HD3 ARG B 13 6.033 9.985 -2.753 1.00 1.07 H new ATOM 0 HE ARG B 13 4.822 7.720 -2.062 1.00 1.86 H new ATOM 0 HH11 ARG B 13 7.744 7.508 -0.749 1.00 3.15 H new ATOM 0 HH12 ARG B 13 7.329 7.709 0.957 1.00 3.15 H new ATOM 0 HH21 ARG B 13 4.034 8.849 0.180 1.00 3.08 H new ATOM 0 HH22 ARG B 13 5.150 8.497 1.503 1.00 3.08 H new ATOM 1208 N PHE B 14 5.475 5.258 -5.110 1.00 0.52 N ATOM 1209 CA PHE B 14 4.320 5.284 -6.044 1.00 0.54 C ATOM 1210 C PHE B 14 3.166 4.530 -5.446 1.00 0.57 C ATOM 1211 O PHE B 14 2.044 4.973 -5.532 1.00 0.59 O ATOM 1212 CB PHE B 14 4.679 4.630 -7.357 1.00 0.62 C ATOM 1213 CG PHE B 14 5.942 5.276 -7.920 1.00 1.17 C ATOM 1214 CD1 PHE B 14 6.271 6.599 -7.670 1.00 2.02 C ATOM 1215 CD2 PHE B 14 6.776 4.506 -8.695 1.00 1.81 C ATOM 1216 CE1 PHE B 14 7.427 7.137 -8.196 1.00 2.69 C ATOM 1217 CE2 PHE B 14 7.932 5.042 -9.220 1.00 2.50 C ATOM 1218 CZ PHE B 14 8.258 6.358 -8.971 1.00 2.71 C ATOM 0 H PHE B 14 6.301 4.751 -5.429 1.00 0.52 H new ATOM 0 HA PHE B 14 4.050 6.326 -6.216 1.00 0.54 H new ATOM 0 HB2 PHE B 14 4.838 3.562 -7.212 1.00 0.62 H new ATOM 0 HB3 PHE B 14 3.857 4.736 -8.065 1.00 0.62 H new ATOM 0 HD1 PHE B 14 5.621 7.210 -7.062 1.00 2.02 H new ATOM 0 HD2 PHE B 14 6.524 3.475 -8.894 1.00 1.81 H new ATOM 0 HE1 PHE B 14 7.681 8.168 -8.000 1.00 2.69 H new ATOM 0 HE2 PHE B 14 8.583 4.430 -9.827 1.00 2.50 H new ATOM 0 HZ PHE B 14 9.164 6.778 -9.383 1.00 2.71 H new ATOM 1228 N ILE B 15 3.451 3.411 -4.853 1.00 0.58 N ATOM 1229 CA ILE B 15 2.347 2.626 -4.251 1.00 0.63 C ATOM 1230 C ILE B 15 1.739 3.499 -3.157 1.00 0.59 C ATOM 1231 O ILE B 15 0.591 3.361 -2.786 1.00 0.62 O ATOM 1232 CB ILE B 15 2.942 1.328 -3.683 1.00 0.69 C ATOM 1233 CG1 ILE B 15 3.626 0.575 -4.836 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.810 0.442 -3.133 1.00 0.82 C ATOM 1235 CD1 ILE B 15 4.388 -0.633 -4.287 1.00 0.93 C ATOM 0 H ILE B 15 4.384 3.011 -4.759 1.00 0.58 H new ATOM 0 HA ILE B 15 1.573 2.355 -4.969 1.00 0.63 H new ATOM 0 HB ILE B 15 3.650 1.559 -2.887 1.00 0.69 H new ATOM 0 HG12 ILE B 15 2.881 0.248 -5.561 1.00 0.79 H new ATOM 0 HG13 ILE B 15 4.311 1.241 -5.361 1.00 0.79 H new ATOM 0 HG21 ILE B 15 2.232 -0.479 -2.730 1.00 0.82 H new ATOM 0 HG22 ILE B 15 1.282 0.975 -2.343 1.00 0.82 H new ATOM 0 HG23 ILE B 15 1.114 0.201 -3.936 1.00 0.82 H new ATOM 0 HD11 ILE B 15 4.871 -1.163 -5.108 1.00 0.93 H new ATOM 0 HD12 ILE B 15 5.145 -0.295 -3.579 1.00 0.93 H new ATOM 0 HD13 ILE B 15 3.692 -1.303 -3.782 1.00 0.93 H new ATOM 1247 N ARG B 16 2.537 4.394 -2.657 1.00 0.58 N ATOM 1248 CA ARG B 16 2.028 5.281 -1.588 1.00 0.58 C ATOM 1249 C ARG B 16 1.098 6.269 -2.244 1.00 0.55 C ATOM 1250 O ARG B 16 0.048 6.585 -1.723 1.00 0.56 O ATOM 1251 CB ARG B 16 3.196 6.001 -0.951 1.00 0.60 C ATOM 1252 CG ARG B 16 3.077 5.922 0.558 1.00 0.82 C ATOM 1253 CD ARG B 16 2.944 4.468 1.005 1.00 1.04 C ATOM 1254 NE ARG B 16 3.482 3.551 -0.048 1.00 1.57 N ATOM 1255 CZ ARG B 16 2.875 2.407 -0.286 1.00 2.08 C ATOM 1256 NH1 ARG B 16 1.553 2.361 -0.299 1.00 2.68 N ATOM 1257 NH2 ARG B 16 3.627 1.347 -0.501 1.00 2.60 N ATOM 0 H ARG B 16 3.505 4.547 -2.938 1.00 0.58 H new ATOM 0 HA ARG B 16 1.503 4.722 -0.813 1.00 0.58 H new ATOM 0 HB2 ARG B 16 4.135 5.552 -1.276 1.00 0.60 H new ATOM 0 HB3 ARG B 16 3.213 7.043 -1.271 1.00 0.60 H new ATOM 0 HG2 ARG B 16 3.954 6.373 1.023 1.00 0.82 H new ATOM 0 HG3 ARG B 16 2.210 6.493 0.891 1.00 0.82 H new ATOM 0 HD2 ARG B 16 3.484 4.317 1.940 1.00 1.04 H new ATOM 0 HD3 ARG B 16 1.897 4.235 1.200 1.00 1.04 H new ATOM 0 HE ARG B 16 4.314 3.811 -0.578 1.00 1.57 H new ATOM 0 HH11 ARG B 16 1.012 3.208 -0.125 1.00 2.68 H new ATOM 0 HH12 ARG B 16 1.075 1.479 -0.483 1.00 2.68 H new ATOM 0 HH21 ARG B 16 4.643 1.430 -0.480 1.00 2.60 H new ATOM 0 HH22 ARG B 16 3.193 0.443 -0.689 1.00 2.60 H new ATOM 1271 N SER B 17 1.516 6.732 -3.381 1.00 0.57 N ATOM 1272 CA SER B 17 0.670 7.700 -4.095 1.00 0.60 C ATOM 1273 C SER B 17 -0.641 6.979 -4.363 1.00 0.56 C ATOM 1274 O SER B 17 -1.696 7.561 -4.237 1.00 0.55 O ATOM 1275 CB SER B 17 1.393 8.079 -5.369 1.00 0.68 C ATOM 1276 OG SER B 17 2.697 8.371 -4.878 1.00 0.72 O ATOM 0 H SER B 17 2.394 6.484 -3.837 1.00 0.57 H new ATOM 0 HA SER B 17 0.472 8.617 -3.541 1.00 0.60 H new ATOM 0 HB2 SER B 17 1.400 7.265 -6.094 1.00 0.68 H new ATOM 0 HB3 SER B 17 0.937 8.939 -5.859 1.00 0.68 H new ATOM 0 HG SER B 17 3.276 8.634 -5.624 1.00 0.72 H new ATOM 1282 N GLN B 18 -0.545 5.730 -4.724 1.00 0.57 N ATOM 1283 CA GLN B 18 -1.797 4.970 -4.986 1.00 0.57 C ATOM 1284 C GLN B 18 -2.687 5.072 -3.762 1.00 0.51 C ATOM 1285 O GLN B 18 -3.870 5.309 -3.876 1.00 0.51 O ATOM 1286 CB GLN B 18 -1.513 3.484 -5.229 1.00 0.65 C ATOM 1287 CG GLN B 18 -0.657 3.293 -6.469 1.00 0.91 C ATOM 1288 CD GLN B 18 -1.550 3.562 -7.672 1.00 1.11 C ATOM 1289 OE1 GLN B 18 -1.611 4.666 -8.174 1.00 1.80 O ATOM 1290 NE2 GLN B 18 -2.258 2.580 -8.157 1.00 1.05 N ATOM 0 H GLN B 18 0.325 5.212 -4.847 1.00 0.57 H new ATOM 0 HA GLN B 18 -2.270 5.391 -5.873 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -1.005 3.060 -4.363 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -2.453 2.944 -5.344 1.00 0.65 H new ATOM 0 HG2 GLN B 18 0.193 3.975 -6.460 1.00 0.91 H new ATOM 0 HG3 GLN B 18 -0.253 2.281 -6.507 1.00 0.91 H new ATOM 0 HE21 GLN B 18 -2.204 1.654 -7.733 1.00 1.05 H new ATOM 0 HE22 GLN B 18 -2.866 2.738 -8.961 1.00 1.05 H new ATOM 1299 N THR B 19 -2.079 4.892 -2.624 1.00 0.48 N ATOM 1300 CA THR B 19 -2.864 4.948 -1.373 1.00 0.44 C ATOM 1301 C THR B 19 -3.607 6.291 -1.328 1.00 0.43 C ATOM 1302 O THR B 19 -4.808 6.334 -1.149 1.00 0.46 O ATOM 1303 CB THR B 19 -1.878 4.799 -0.195 1.00 0.46 C ATOM 1304 OG1 THR B 19 -0.953 3.783 -0.593 1.00 0.56 O ATOM 1305 CG2 THR B 19 -2.582 4.188 1.024 1.00 0.48 C ATOM 0 H THR B 19 -1.082 4.710 -2.511 1.00 0.48 H new ATOM 0 HA THR B 19 -3.604 4.150 -1.315 1.00 0.44 H new ATOM 0 HB THR B 19 -1.445 5.771 0.042 1.00 0.46 H new ATOM 0 HG1 THR B 19 -0.990 3.039 0.044 1.00 0.56 H new ATOM 0 HG21 THR B 19 -1.871 4.091 1.844 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.404 4.834 1.331 1.00 0.48 H new ATOM 0 HG23 THR B 19 -2.972 3.204 0.764 1.00 0.48 H new ATOM 1313 N LEU B 20 -2.864 7.344 -1.508 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.483 8.693 -1.458 1.00 0.51 C ATOM 1315 C LEU B 20 -4.604 8.808 -2.489 1.00 0.53 C ATOM 1316 O LEU B 20 -5.640 9.383 -2.232 1.00 0.57 O ATOM 1317 CB LEU B 20 -2.412 9.747 -1.751 1.00 0.57 C ATOM 1318 CG LEU B 20 -2.961 11.169 -1.499 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -3.213 11.383 0.010 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -1.932 12.196 -1.996 1.00 1.25 C ATOM 0 H LEU B 20 -1.860 7.329 -1.687 1.00 0.45 H new ATOM 0 HA LEU B 20 -3.905 8.852 -0.466 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -1.540 9.572 -1.121 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -2.081 9.658 -2.786 1.00 0.57 H new ATOM 0 HG LEU B 20 -3.902 11.293 -2.034 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -3.600 12.389 0.175 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -3.939 10.652 0.365 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -2.278 11.260 0.556 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -2.310 13.203 -1.823 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -0.995 12.062 -1.456 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -1.760 12.052 -3.063 1.00 1.25 H new ATOM 1332 N THR B 21 -4.385 8.260 -3.646 1.00 0.59 N ATOM 1333 CA THR B 21 -5.435 8.367 -4.679 1.00 0.70 C ATOM 1334 C THR B 21 -6.684 7.635 -4.193 1.00 0.63 C ATOM 1335 O THR B 21 -7.796 8.004 -4.517 1.00 0.69 O ATOM 1336 CB THR B 21 -4.872 7.750 -5.946 1.00 0.85 C ATOM 1337 OG1 THR B 21 -3.566 8.309 -6.004 1.00 0.87 O ATOM 1338 CG2 THR B 21 -5.579 8.324 -7.184 1.00 1.02 C ATOM 0 H THR B 21 -3.542 7.753 -3.915 1.00 0.59 H new ATOM 0 HA THR B 21 -5.720 9.401 -4.876 1.00 0.70 H new ATOM 0 HB THR B 21 -4.953 6.663 -5.935 1.00 0.85 H new ATOM 0 HG1 THR B 21 -2.931 7.703 -5.568 1.00 0.87 H new ATOM 0 HG21 THR B 21 -5.163 7.871 -8.084 1.00 1.02 H new ATOM 0 HG22 THR B 21 -6.645 8.106 -7.128 1.00 1.02 H new ATOM 0 HG23 THR B 21 -5.431 9.403 -7.220 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.498 6.603 -3.422 1.00 0.54 N ATOM 1347 CA LEU B 22 -7.725 5.918 -2.965 1.00 0.52 C ATOM 1348 C LEU B 22 -8.349 6.798 -1.915 1.00 0.45 C ATOM 1349 O LEU B 22 -9.554 6.892 -1.874 1.00 0.49 O ATOM 1350 CB LEU B 22 -7.421 4.562 -2.337 1.00 0.59 C ATOM 1351 CG LEU B 22 -6.704 3.638 -3.343 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -6.757 2.203 -2.809 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -7.354 3.688 -4.739 1.00 1.25 C ATOM 0 H LEU B 22 -5.605 6.224 -3.106 1.00 0.54 H new ATOM 0 HA LEU B 22 -8.381 5.748 -3.819 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -6.797 4.698 -1.453 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -8.348 4.095 -2.005 1.00 0.59 H new ATOM 0 HG LEU B 22 -5.674 3.979 -3.449 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -6.254 1.536 -3.509 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -6.258 2.156 -1.841 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -7.796 1.895 -2.697 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -6.817 3.022 -5.415 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -8.394 3.370 -4.668 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -7.312 4.707 -5.124 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.537 7.418 -1.103 1.00 0.43 N ATOM 1366 CA LEU B 23 -8.104 8.304 -0.047 1.00 0.44 C ATOM 1367 C LEU B 23 -9.131 9.202 -0.701 1.00 0.48 C ATOM 1368 O LEU B 23 -10.258 9.310 -0.261 1.00 0.52 O ATOM 1369 CB LEU B 23 -7.013 9.196 0.572 1.00 0.53 C ATOM 1370 CG LEU B 23 -7.639 10.221 1.549 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -8.138 9.516 2.812 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -6.592 11.292 1.896 1.00 1.05 C ATOM 0 H LEU B 23 -6.519 7.351 -1.123 1.00 0.43 H new ATOM 0 HA LEU B 23 -8.541 7.688 0.739 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -6.287 8.578 1.100 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -6.473 9.720 -0.217 1.00 0.53 H new ATOM 0 HG LEU B 23 -8.495 10.702 1.075 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -8.575 10.249 3.489 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -8.892 8.776 2.542 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -7.303 9.019 3.306 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -7.027 12.017 2.584 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -5.729 10.819 2.365 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -6.276 11.801 0.985 1.00 1.05 H new ATOM 1384 N GLU B 24 -8.675 9.809 -1.754 1.00 0.57 N ATOM 1385 CA GLU B 24 -9.513 10.754 -2.521 1.00 0.71 C ATOM 1386 C GLU B 24 -10.858 10.129 -2.841 1.00 0.67 C ATOM 1387 O GLU B 24 -11.889 10.524 -2.338 1.00 0.69 O ATOM 1388 CB GLU B 24 -8.759 11.100 -3.805 1.00 0.90 C ATOM 1389 CG GLU B 24 -9.530 12.086 -4.682 1.00 1.37 C ATOM 1390 CD GLU B 24 -8.835 12.143 -6.041 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -7.932 11.346 -6.233 1.00 1.83 O ATOM 1392 OE2 GLU B 24 -9.251 12.977 -6.822 1.00 1.84 O ATOM 0 H GLU B 24 -7.732 9.684 -2.122 1.00 0.57 H new ATOM 0 HA GLU B 24 -9.703 11.656 -1.940 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -7.788 11.526 -3.550 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -8.569 10.187 -4.369 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -10.566 11.767 -4.796 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -9.549 13.073 -4.221 1.00 1.37 H new ATOM 1399 N LYS B 25 -10.807 9.140 -3.677 1.00 0.67 N ATOM 1400 CA LYS B 25 -12.081 8.504 -4.093 1.00 0.72 C ATOM 1401 C LYS B 25 -12.836 7.838 -2.958 1.00 0.68 C ATOM 1402 O LYS B 25 -14.019 7.595 -3.072 1.00 0.75 O ATOM 1403 CB LYS B 25 -11.799 7.465 -5.195 1.00 0.81 C ATOM 1404 CG LYS B 25 -11.653 8.196 -6.556 1.00 0.95 C ATOM 1405 CD LYS B 25 -10.328 8.972 -6.708 1.00 1.36 C ATOM 1406 CE LYS B 25 -10.565 10.105 -7.724 1.00 1.57 C ATOM 1407 NZ LYS B 25 -11.482 11.121 -7.140 1.00 1.86 N ATOM 0 H LYS B 25 -9.958 8.749 -4.085 1.00 0.67 H new ATOM 0 HA LYS B 25 -12.720 9.307 -4.461 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -10.888 6.911 -4.966 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -12.610 6.738 -5.243 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -11.729 7.465 -7.361 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -12.485 8.890 -6.676 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -10.010 9.379 -5.748 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -9.534 8.309 -7.052 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -9.616 10.570 -7.993 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -10.993 9.700 -8.641 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -12.376 11.127 -7.671 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -11.672 10.886 -6.145 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -11.040 12.061 -7.196 1.00 1.86 H new ATOM 1421 N LEU B 26 -12.173 7.551 -1.881 1.00 0.65 N ATOM 1422 CA LEU B 26 -12.924 6.906 -0.780 1.00 0.67 C ATOM 1423 C LEU B 26 -13.671 8.030 -0.107 1.00 0.65 C ATOM 1424 O LEU B 26 -14.730 7.831 0.448 1.00 0.73 O ATOM 1425 CB LEU B 26 -11.959 6.240 0.204 1.00 0.68 C ATOM 1426 CG LEU B 26 -11.343 4.979 -0.461 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -10.182 4.473 0.407 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -12.397 3.858 -0.581 1.00 1.22 C ATOM 0 H LEU B 26 -11.182 7.726 -1.717 1.00 0.65 H new ATOM 0 HA LEU B 26 -13.595 6.127 -1.141 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -11.171 6.938 0.488 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -12.485 5.964 1.118 1.00 0.68 H new ATOM 0 HG LEU B 26 -10.991 5.245 -1.458 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -9.743 3.587 -0.053 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -9.424 5.252 0.491 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -10.553 4.220 1.400 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -11.946 2.983 -1.049 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -12.760 3.592 0.412 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -13.231 4.206 -1.190 1.00 1.22 H new ATOM 1440 N ASN B 27 -13.100 9.197 -0.171 1.00 0.60 N ATOM 1441 CA ASN B 27 -13.793 10.345 0.464 1.00 0.66 C ATOM 1442 C ASN B 27 -15.018 10.597 -0.378 1.00 0.68 C ATOM 1443 O ASN B 27 -16.082 10.871 0.134 1.00 0.79 O ATOM 1444 CB ASN B 27 -12.930 11.611 0.444 1.00 0.76 C ATOM 1445 CG ASN B 27 -11.664 11.422 1.285 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -11.476 10.309 1.939 1.00 1.70 O flip ATOM 1447 ND2 ASN B 27 -10.824 12.298 1.358 1.00 1.70 N flip ATOM 0 H ASN B 27 -12.209 9.403 -0.622 1.00 0.60 H new ATOM 0 HA ASN B 27 -14.020 10.116 1.505 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -12.657 11.853 -0.583 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -13.504 12.454 0.828 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -10.956 13.174 0.853 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -9.988 12.157 1.924 1.00 1.70 H new ATOM 1454 N GLU B 28 -14.832 10.496 -1.662 1.00 0.70 N ATOM 1455 CA GLU B 28 -15.975 10.727 -2.579 1.00 0.83 C ATOM 1456 C GLU B 28 -16.999 9.619 -2.393 1.00 0.86 C ATOM 1457 O GLU B 28 -18.178 9.809 -2.607 1.00 0.97 O ATOM 1458 CB GLU B 28 -15.477 10.717 -4.016 1.00 1.00 C ATOM 1459 CG GLU B 28 -14.404 11.794 -4.184 1.00 1.12 C ATOM 1460 CD GLU B 28 -13.875 11.725 -5.611 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -14.019 10.673 -6.208 1.00 2.24 O ATOM 1462 OE2 GLU B 28 -13.342 12.727 -6.047 1.00 2.61 O ATOM 0 H GLU B 28 -13.946 10.266 -2.112 1.00 0.70 H new ATOM 0 HA GLU B 28 -16.434 11.691 -2.358 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -15.068 9.738 -4.265 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -16.304 10.901 -4.701 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -14.821 12.780 -3.981 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -13.594 11.638 -3.471 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.513 8.479 -1.998 1.00 0.84 N ATOM 1470 CA LEU B 29 -17.431 7.327 -1.801 1.00 0.98 C ATOM 1471 C LEU B 29 -17.938 7.326 -0.362 1.00 1.03 C ATOM 1472 O LEU B 29 -18.479 6.339 0.094 1.00 1.19 O ATOM 1473 CB LEU B 29 -16.636 6.048 -2.131 1.00 1.02 C ATOM 1474 CG LEU B 29 -17.495 4.760 -2.125 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -18.753 4.928 -2.999 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -16.644 3.640 -2.732 1.00 1.43 C ATOM 0 H LEU B 29 -15.529 8.295 -1.804 1.00 0.84 H new ATOM 0 HA LEU B 29 -18.304 7.387 -2.451 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -16.174 6.161 -3.112 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -15.827 5.938 -1.409 1.00 1.02 H new ATOM 0 HG LEU B 29 -17.805 4.538 -1.104 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -19.337 4.008 -2.976 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -19.356 5.751 -2.614 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -18.457 5.144 -4.025 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -17.218 2.713 -2.745 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -16.364 3.907 -3.751 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -15.744 3.501 -2.133 1.00 1.43 H new ATOM 1488 N ASP B 30 -17.748 8.430 0.310 1.00 0.98 N ATOM 1489 CA ASP B 30 -18.189 8.566 1.734 1.00 1.11 C ATOM 1490 C ASP B 30 -17.691 7.421 2.590 1.00 1.16 C ATOM 1491 O ASP B 30 -18.207 7.169 3.660 1.00 1.63 O ATOM 1492 CB ASP B 30 -19.721 8.594 1.845 1.00 1.35 C ATOM 1493 CG ASP B 30 -20.254 9.868 1.195 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -19.784 10.916 1.607 1.00 2.23 O ATOM 1495 OD2 ASP B 30 -21.101 9.722 0.329 1.00 2.45 O ATOM 0 H ASP B 30 -17.297 9.261 -0.074 1.00 0.98 H new ATOM 0 HA ASP B 30 -17.766 9.505 2.089 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -20.148 7.718 1.357 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -20.021 8.554 2.892 1.00 1.35 H new ATOM 1500 N ALA B 31 -16.692 6.748 2.103 1.00 0.84 N ATOM 1501 CA ALA B 31 -16.132 5.609 2.869 1.00 0.87 C ATOM 1502 C ALA B 31 -15.094 6.235 3.773 1.00 0.76 C ATOM 1503 O ALA B 31 -13.925 6.280 3.437 1.00 0.75 O ATOM 1504 CB ALA B 31 -15.478 4.620 1.920 1.00 0.89 C ATOM 0 H ALA B 31 -16.240 6.938 1.209 1.00 0.84 H new ATOM 0 HA ALA B 31 -16.892 5.063 3.428 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -15.069 3.786 2.489 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -16.220 4.248 1.214 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -14.675 5.116 1.375 1.00 0.89 H new ATOM 1510 N ASP B 32 -15.550 6.707 4.895 1.00 0.85 N ATOM 1511 CA ASP B 32 -14.620 7.374 5.842 1.00 0.87 C ATOM 1512 C ASP B 32 -13.658 6.384 6.458 1.00 0.79 C ATOM 1513 O ASP B 32 -12.483 6.668 6.556 1.00 0.74 O ATOM 1514 CB ASP B 32 -15.384 8.045 6.985 1.00 1.11 C ATOM 1515 CG ASP B 32 -16.013 6.971 7.870 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -16.853 6.260 7.345 1.00 2.83 O ATOM 1517 OD2 ASP B 32 -15.613 6.922 9.019 1.00 2.57 O ATOM 0 H ASP B 32 -16.523 6.660 5.197 1.00 0.85 H new ATOM 0 HA ASP B 32 -14.073 8.118 5.263 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -14.709 8.668 7.573 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -16.157 8.702 6.585 1.00 1.11 H new ATOM 1522 N GLU B 33 -14.150 5.252 6.861 1.00 0.86 N ATOM 1523 CA GLU B 33 -13.231 4.273 7.484 1.00 0.90 C ATOM 1524 C GLU B 33 -12.190 3.914 6.454 1.00 0.78 C ATOM 1525 O GLU B 33 -11.001 3.957 6.698 1.00 0.79 O ATOM 1526 CB GLU B 33 -14.007 3.024 7.881 1.00 1.07 C ATOM 1527 CG GLU B 33 -13.088 1.959 8.442 1.00 1.58 C ATOM 1528 CD GLU B 33 -13.901 0.676 8.487 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -14.868 0.671 9.224 1.00 2.15 O ATOM 1530 OE2 GLU B 33 -13.501 -0.224 7.771 1.00 2.11 O ATOM 0 H GLU B 33 -15.127 4.967 6.788 1.00 0.86 H new ATOM 0 HA GLU B 33 -12.766 4.693 8.376 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -14.762 3.283 8.623 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -14.535 2.630 7.013 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -12.205 1.838 7.815 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -12.738 2.233 9.437 1.00 1.58 H new ATOM 1537 N GLN B 34 -12.676 3.561 5.304 1.00 0.71 N ATOM 1538 CA GLN B 34 -11.719 3.168 4.248 1.00 0.67 C ATOM 1539 C GLN B 34 -10.763 4.308 4.000 1.00 0.57 C ATOM 1540 O GLN B 34 -9.609 4.092 3.702 1.00 0.53 O ATOM 1541 CB GLN B 34 -12.465 2.852 2.959 1.00 0.72 C ATOM 1542 CG GLN B 34 -13.575 1.843 3.246 1.00 0.88 C ATOM 1543 CD GLN B 34 -12.942 0.658 3.960 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -12.505 -0.289 3.339 1.00 2.26 O ATOM 1545 NE2 GLN B 34 -12.879 0.685 5.263 1.00 1.80 N ATOM 0 H GLN B 34 -13.664 3.528 5.055 1.00 0.71 H new ATOM 0 HA GLN B 34 -11.171 2.283 4.571 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -12.888 3.764 2.539 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -11.776 2.449 2.217 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -14.352 2.293 3.864 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -14.051 1.523 2.319 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -13.249 1.486 5.775 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -12.459 -0.095 5.770 1.00 1.80 H new ATOM 1554 N ALA B 35 -11.257 5.500 4.128 1.00 0.58 N ATOM 1555 CA ALA B 35 -10.362 6.652 3.875 1.00 0.56 C ATOM 1556 C ALA B 35 -9.238 6.741 4.885 1.00 0.56 C ATOM 1557 O ALA B 35 -8.083 6.716 4.513 1.00 0.54 O ATOM 1558 CB ALA B 35 -11.173 7.947 3.922 1.00 0.65 C ATOM 0 H ALA B 35 -12.217 5.724 4.390 1.00 0.58 H new ATOM 0 HA ALA B 35 -9.917 6.507 2.890 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -10.515 8.796 3.736 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -11.951 7.917 3.159 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -11.633 8.053 4.905 1.00 0.65 H new ATOM 1564 N ASP B 36 -9.586 6.839 6.133 1.00 0.62 N ATOM 1565 CA ASP B 36 -8.503 6.952 7.149 1.00 0.67 C ATOM 1566 C ASP B 36 -7.592 5.759 7.113 1.00 0.60 C ATOM 1567 O ASP B 36 -6.403 5.890 6.906 1.00 0.62 O ATOM 1568 CB ASP B 36 -9.055 7.022 8.548 1.00 0.79 C ATOM 1569 CG ASP B 36 -7.860 6.802 9.474 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -6.973 7.638 9.426 1.00 1.65 O ATOM 1571 OD2 ASP B 36 -7.912 5.805 10.174 1.00 1.67 O ATOM 0 H ASP B 36 -10.542 6.846 6.489 1.00 0.62 H new ATOM 0 HA ASP B 36 -7.963 7.866 6.902 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -9.524 7.988 8.736 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -9.819 6.261 8.706 1.00 0.79 H new ATOM 1576 N ILE B 37 -8.183 4.619 7.314 1.00 0.55 N ATOM 1577 CA ILE B 37 -7.360 3.394 7.317 1.00 0.52 C ATOM 1578 C ILE B 37 -6.530 3.319 6.043 1.00 0.47 C ATOM 1579 O ILE B 37 -5.423 2.816 6.075 1.00 0.50 O ATOM 1580 CB ILE B 37 -8.285 2.173 7.434 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -9.111 2.339 8.732 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -7.419 0.912 7.532 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -9.869 1.044 9.061 1.00 1.12 C ATOM 0 H ILE B 37 -9.182 4.487 7.473 1.00 0.55 H new ATOM 0 HA ILE B 37 -6.676 3.410 8.166 1.00 0.52 H new ATOM 0 HB ILE B 37 -8.946 2.090 6.571 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -8.450 2.600 9.559 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -9.818 3.161 8.617 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -8.061 0.035 7.616 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.801 0.825 6.639 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -6.778 0.978 8.411 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -10.444 1.181 9.977 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -10.545 0.800 8.242 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -9.157 0.230 9.198 1.00 1.12 H new ATOM 1595 N CYS B 38 -7.050 3.808 4.948 1.00 0.45 N ATOM 1596 CA CYS B 38 -6.217 3.725 3.720 1.00 0.47 C ATOM 1597 C CYS B 38 -4.946 4.488 4.005 1.00 0.50 C ATOM 1598 O CYS B 38 -3.857 3.995 3.793 1.00 0.57 O ATOM 1599 CB CYS B 38 -6.906 4.377 2.520 1.00 0.48 C ATOM 1600 SG CYS B 38 -5.965 4.460 0.977 1.00 0.70 S ATOM 0 H CYS B 38 -7.969 4.240 4.852 1.00 0.45 H new ATOM 0 HA CYS B 38 -6.038 2.678 3.476 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -7.830 3.834 2.324 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -7.186 5.392 2.801 1.00 0.48 H new ATOM 0 HG CYS B 38 -5.895 5.695 0.577 1.00 0.70 H new ATOM 1606 N GLU B 39 -5.102 5.681 4.492 1.00 0.54 N ATOM 1607 CA GLU B 39 -3.876 6.450 4.759 1.00 0.62 C ATOM 1608 C GLU B 39 -3.154 5.956 5.996 1.00 0.58 C ATOM 1609 O GLU B 39 -2.011 6.298 6.221 1.00 0.57 O ATOM 1610 CB GLU B 39 -4.261 7.908 4.891 1.00 0.75 C ATOM 1611 CG GLU B 39 -4.766 8.360 3.512 1.00 1.35 C ATOM 1612 CD GLU B 39 -3.643 8.232 2.472 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -2.740 9.043 2.551 1.00 2.39 O ATOM 1614 OE2 GLU B 39 -3.739 7.332 1.654 1.00 2.82 O ATOM 0 H GLU B 39 -5.988 6.138 4.708 1.00 0.54 H new ATOM 0 HA GLU B 39 -3.177 6.319 3.933 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -5.035 8.036 5.647 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -3.406 8.507 5.205 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -5.621 7.754 3.212 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -5.110 9.393 3.562 1.00 1.35 H new ATOM 1621 N SER B 40 -3.795 5.161 6.796 1.00 0.63 N ATOM 1622 CA SER B 40 -3.037 4.674 7.966 1.00 0.64 C ATOM 1623 C SER B 40 -2.031 3.723 7.322 1.00 0.58 C ATOM 1624 O SER B 40 -0.914 3.550 7.765 1.00 0.63 O ATOM 1625 CB SER B 40 -3.951 3.908 8.899 1.00 0.72 C ATOM 1626 OG SER B 40 -5.046 4.775 9.150 1.00 0.77 O ATOM 0 H SER B 40 -4.759 4.842 6.700 1.00 0.63 H new ATOM 0 HA SER B 40 -2.582 5.467 8.560 1.00 0.64 H new ATOM 0 HB2 SER B 40 -4.285 2.975 8.444 1.00 0.72 H new ATOM 0 HB3 SER B 40 -3.438 3.646 9.824 1.00 0.72 H new ATOM 0 HG SER B 40 -5.598 4.405 9.870 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.490 3.127 6.258 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.628 2.169 5.532 1.00 0.53 C ATOM 1634 C LEU B 41 -0.605 3.029 4.807 1.00 0.50 C ATOM 1635 O LEU B 41 0.532 2.638 4.662 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.508 1.380 4.542 1.00 0.56 C ATOM 1637 CG LEU B 41 -1.963 -0.026 4.171 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -0.571 0.046 3.532 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -1.912 -0.924 5.421 1.00 1.22 C ATOM 0 H LEU B 41 -3.421 3.264 5.865 1.00 0.54 H new ATOM 0 HA LEU B 41 -1.132 1.446 6.180 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.504 1.268 4.971 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -2.619 1.965 3.629 1.00 0.56 H new ATOM 0 HG LEU B 41 -2.646 -0.454 3.437 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -0.230 -0.960 3.289 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -0.619 0.643 2.621 1.00 1.05 H new ATOM 0 HD13 LEU B 41 0.127 0.507 4.231 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -1.528 -1.907 5.148 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -1.257 -0.473 6.166 1.00 1.22 H new ATOM 0 HD23 LEU B 41 -2.915 -1.028 5.835 1.00 1.22 H new ATOM 1651 N HIS B 42 -1.026 4.179 4.368 1.00 0.50 N ATOM 1652 CA HIS B 42 -0.075 5.068 3.643 1.00 0.53 C ATOM 1653 C HIS B 42 1.164 5.277 4.482 1.00 0.55 C ATOM 1654 O HIS B 42 2.254 4.972 4.044 1.00 0.63 O ATOM 1655 CB HIS B 42 -0.731 6.429 3.371 1.00 0.54 C ATOM 1656 CG HIS B 42 0.145 7.398 2.576 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.291 8.050 1.550 1.00 0.61 N ATOM 1658 CD2 HIS B 42 1.466 7.806 2.705 1.00 1.21 C ATOM 1659 CE1 HIS B 42 0.650 8.795 1.070 1.00 0.64 C ATOM 1660 NE2 HIS B 42 1.762 8.676 1.756 1.00 1.13 N ATOM 0 H HIS B 42 -1.974 4.540 4.476 1.00 0.50 H new ATOM 0 HA HIS B 42 0.194 4.599 2.696 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -1.662 6.269 2.828 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -0.993 6.891 4.323 1.00 0.54 H new ATOM 0 HD1 HIS B 42 -1.237 7.987 1.174 1.00 0.61 H new ATOM 0 HD2 HIS B 42 2.150 7.463 3.468 1.00 1.21 H new ATOM 0 HE1 HIS B 42 0.535 9.437 0.209 1.00 0.64 H new ATOM 1668 N ASP B 43 0.967 5.783 5.666 1.00 0.56 N ATOM 1669 CA ASP B 43 2.155 6.047 6.527 1.00 0.64 C ATOM 1670 C ASP B 43 3.037 4.840 6.757 1.00 0.60 C ATOM 1671 O ASP B 43 4.221 4.915 6.510 1.00 0.62 O ATOM 1672 CB ASP B 43 1.765 6.539 7.907 1.00 0.80 C ATOM 1673 CG ASP B 43 3.084 6.944 8.565 1.00 1.22 C ATOM 1674 OD1 ASP B 43 3.482 8.068 8.314 1.00 1.51 O ATOM 1675 OD2 ASP B 43 3.644 6.133 9.277 1.00 1.86 O ATOM 0 H ASP B 43 0.060 6.021 6.069 1.00 0.56 H new ATOM 0 HA ASP B 43 2.702 6.803 5.964 1.00 0.64 H new ATOM 0 HB2 ASP B 43 1.078 7.383 7.846 1.00 0.80 H new ATOM 0 HB3 ASP B 43 1.262 5.758 8.478 1.00 0.80 H new ATOM 1680 N HIS B 44 2.486 3.754 7.220 1.00 0.60 N ATOM 1681 CA HIS B 44 3.381 2.584 7.453 1.00 0.63 C ATOM 1682 C HIS B 44 4.021 2.134 6.162 1.00 0.60 C ATOM 1683 O HIS B 44 5.156 1.708 6.103 1.00 0.68 O ATOM 1684 CB HIS B 44 2.614 1.399 8.011 1.00 0.65 C ATOM 1685 CG HIS B 44 2.204 1.700 9.448 1.00 1.02 C ATOM 1686 ND1 HIS B 44 3.006 2.086 10.388 1.00 1.67 N ATOM 1687 CD2 HIS B 44 0.963 1.639 10.055 1.00 1.54 C ATOM 1688 CE1 HIS B 44 2.337 2.252 11.483 1.00 2.24 C ATOM 1689 NE2 HIS B 44 1.063 1.986 11.324 1.00 2.16 N ATOM 0 H HIS B 44 1.498 3.624 7.440 1.00 0.60 H new ATOM 0 HA HIS B 44 4.137 2.910 8.167 1.00 0.63 H new ATOM 0 HB2 HIS B 44 1.732 1.202 7.402 1.00 0.65 H new ATOM 0 HB3 HIS B 44 3.232 0.502 7.977 1.00 0.65 H new ATOM 0 HD2 HIS B 44 0.046 1.350 9.563 1.00 1.54 H new ATOM 0 HE1 HIS B 44 2.776 2.572 12.417 1.00 2.24 H new ATOM 0 HE2 HIS B 44 0.320 2.036 12.021 1.00 2.16 H new ATOM 1697 N ALA B 45 3.256 2.244 5.122 1.00 0.57 N ATOM 1698 CA ALA B 45 3.790 1.814 3.813 1.00 0.62 C ATOM 1699 C ALA B 45 4.842 2.814 3.399 1.00 0.59 C ATOM 1700 O ALA B 45 5.667 2.543 2.548 1.00 0.61 O ATOM 1701 CB ALA B 45 2.684 1.799 2.777 1.00 0.70 C ATOM 0 H ALA B 45 2.302 2.606 5.120 1.00 0.57 H new ATOM 0 HA ALA B 45 4.209 0.811 3.890 1.00 0.62 H new ATOM 0 HB1 ALA B 45 3.089 1.481 1.817 1.00 0.70 H new ATOM 0 HB2 ALA B 45 1.903 1.106 3.089 1.00 0.70 H new ATOM 0 HB3 ALA B 45 2.263 2.800 2.679 1.00 0.70 H new ATOM 1707 N ASP B 46 4.766 3.956 4.017 1.00 0.60 N ATOM 1708 CA ASP B 46 5.734 5.034 3.706 1.00 0.65 C ATOM 1709 C ASP B 46 6.906 4.849 4.659 1.00 0.65 C ATOM 1710 O ASP B 46 7.985 5.339 4.407 1.00 0.65 O ATOM 1711 CB ASP B 46 5.045 6.391 3.920 1.00 0.76 C ATOM 1712 CG ASP B 46 5.870 7.534 3.349 1.00 0.88 C ATOM 1713 OD1 ASP B 46 6.876 7.251 2.736 1.00 1.04 O ATOM 1714 OD2 ASP B 46 5.459 8.663 3.538 1.00 1.45 O ATOM 0 H ASP B 46 4.071 4.188 4.727 1.00 0.60 H new ATOM 0 HA ASP B 46 6.085 4.998 2.675 1.00 0.65 H new ATOM 0 HB2 ASP B 46 4.063 6.379 3.448 1.00 0.76 H new ATOM 0 HB3 ASP B 46 4.885 6.554 4.986 1.00 0.76 H new ATOM 1719 N GLU B 47 6.706 4.155 5.746 1.00 0.71 N ATOM 1720 CA GLU B 47 7.866 3.947 6.659 1.00 0.81 C ATOM 1721 C GLU B 47 8.859 3.153 5.836 1.00 0.75 C ATOM 1722 O GLU B 47 10.027 3.484 5.771 1.00 0.81 O ATOM 1723 CB GLU B 47 7.482 3.115 7.872 1.00 0.97 C ATOM 1724 CG GLU B 47 6.530 3.893 8.770 1.00 1.17 C ATOM 1725 CD GLU B 47 6.052 2.944 9.865 1.00 1.52 C ATOM 1726 OE1 GLU B 47 5.852 1.789 9.533 1.00 2.02 O ATOM 1727 OE2 GLU B 47 5.909 3.420 10.974 1.00 1.97 O ATOM 0 H GLU B 47 5.822 3.736 6.035 1.00 0.71 H new ATOM 0 HA GLU B 47 8.249 4.900 7.025 1.00 0.81 H new ATOM 0 HB2 GLU B 47 7.011 2.187 7.550 1.00 0.97 H new ATOM 0 HB3 GLU B 47 8.377 2.841 8.431 1.00 0.97 H new ATOM 0 HG2 GLU B 47 7.033 4.757 9.204 1.00 1.17 H new ATOM 0 HG3 GLU B 47 5.685 4.272 8.195 1.00 1.17 H new ATOM 1734 N LEU B 48 8.330 2.120 5.237 1.00 0.72 N ATOM 1735 CA LEU B 48 9.173 1.250 4.372 1.00 0.77 C ATOM 1736 C LEU B 48 9.898 2.122 3.367 1.00 0.68 C ATOM 1737 O LEU B 48 10.954 1.770 2.886 1.00 0.93 O ATOM 1738 CB LEU B 48 8.316 0.257 3.593 1.00 0.85 C ATOM 1739 CG LEU B 48 7.591 -0.710 4.542 1.00 0.87 C ATOM 1740 CD1 LEU B 48 6.602 -1.563 3.734 1.00 1.52 C ATOM 1741 CD2 LEU B 48 8.620 -1.656 5.175 1.00 1.40 C ATOM 0 H LEU B 48 7.351 1.842 5.310 1.00 0.72 H new ATOM 0 HA LEU B 48 9.870 0.704 5.008 1.00 0.77 H new ATOM 0 HB2 LEU B 48 7.585 0.797 2.990 1.00 0.85 H new ATOM 0 HB3 LEU B 48 8.944 -0.307 2.903 1.00 0.85 H new ATOM 0 HG LEU B 48 7.068 -0.140 5.310 1.00 0.87 H new ATOM 0 HD11 LEU B 48 6.085 -2.251 4.402 1.00 1.52 H new ATOM 0 HD12 LEU B 48 5.874 -0.914 3.248 1.00 1.52 H new ATOM 0 HD13 LEU B 48 7.144 -2.131 2.978 1.00 1.52 H new ATOM 0 HD21 LEU B 48 8.113 -2.346 5.850 1.00 1.40 H new ATOM 0 HD22 LEU B 48 9.125 -2.221 4.392 1.00 1.40 H new ATOM 0 HD23 LEU B 48 9.353 -1.075 5.734 1.00 1.40 H new ATOM 1753 N TYR B 49 9.309 3.240 3.065 1.00 0.59 N ATOM 1754 CA TYR B 49 9.965 4.135 2.092 1.00 0.54 C ATOM 1755 C TYR B 49 10.965 5.026 2.801 1.00 0.59 C ATOM 1756 O TYR B 49 12.139 4.767 2.735 1.00 0.82 O ATOM 1757 CB TYR B 49 8.918 4.996 1.398 1.00 0.61 C ATOM 1758 CG TYR B 49 9.639 5.951 0.454 1.00 0.64 C ATOM 1759 CD1 TYR B 49 10.149 5.467 -0.725 1.00 1.33 C ATOM 1760 CD2 TYR B 49 9.792 7.288 0.753 1.00 1.29 C ATOM 1761 CE1 TYR B 49 10.805 6.298 -1.602 1.00 1.40 C ATOM 1762 CE2 TYR B 49 10.447 8.124 -0.121 1.00 1.32 C ATOM 1763 CZ TYR B 49 10.958 7.634 -1.306 1.00 0.85 C ATOM 1764 OH TYR B 49 11.610 8.474 -2.183 1.00 0.99 O ATOM 0 H TYR B 49 8.419 3.565 3.443 1.00 0.59 H new ATOM 0 HA TYR B 49 10.487 3.531 1.350 1.00 0.54 H new ATOM 0 HB2 TYR B 49 8.217 4.371 0.845 1.00 0.61 H new ATOM 0 HB3 TYR B 49 8.336 5.554 2.132 1.00 0.61 H new ATOM 0 HD1 TYR B 49 10.034 4.421 -0.967 1.00 1.33 H new ATOM 0 HD2 TYR B 49 9.396 7.681 1.678 1.00 1.29 H new ATOM 0 HE1 TYR B 49 11.201 5.902 -2.525 1.00 1.40 H new ATOM 0 HE2 TYR B 49 10.562 9.170 0.121 1.00 1.32 H new ATOM 0 HH TYR B 49 11.626 9.382 -1.815 1.00 0.99 H new ATOM 1774 N ARG B 50 10.471 6.037 3.456 1.00 0.71 N ATOM 1775 CA ARG B 50 11.310 7.038 4.185 1.00 0.95 C ATOM 1776 C ARG B 50 12.642 6.637 4.819 1.00 1.15 C ATOM 1777 O ARG B 50 13.680 6.707 4.186 1.00 1.19 O ATOM 1778 CB ARG B 50 10.423 7.672 5.281 1.00 1.20 C ATOM 1779 CG ARG B 50 9.310 8.500 4.629 1.00 1.44 C ATOM 1780 CD ARG B 50 8.207 8.816 5.666 1.00 1.54 C ATOM 1781 NE ARG B 50 7.520 7.549 6.056 1.00 1.70 N ATOM 1782 CZ ARG B 50 6.378 7.609 6.712 1.00 1.79 C ATOM 1783 NH1 ARG B 50 5.490 8.498 6.322 1.00 2.21 N ATOM 1784 NH2 ARG B 50 6.161 6.791 7.720 1.00 2.29 N ATOM 0 H ARG B 50 9.470 6.221 3.520 1.00 0.71 H new ATOM 0 HA ARG B 50 11.642 7.696 3.382 1.00 0.95 H new ATOM 0 HB2 ARG B 50 9.990 6.893 5.908 1.00 1.20 H new ATOM 0 HB3 ARG B 50 11.027 8.305 5.931 1.00 1.20 H new ATOM 0 HG2 ARG B 50 9.722 9.427 4.230 1.00 1.44 H new ATOM 0 HG3 ARG B 50 8.884 7.953 3.788 1.00 1.44 H new ATOM 0 HD2 ARG B 50 8.643 9.292 6.544 1.00 1.54 H new ATOM 0 HD3 ARG B 50 7.488 9.519 5.246 1.00 1.54 H new ATOM 0 HE ARG B 50 7.930 6.646 5.817 1.00 1.70 H new ATOM 0 HH11 ARG B 50 5.696 9.113 5.535 1.00 2.21 H new ATOM 0 HH12 ARG B 50 4.596 8.572 6.807 1.00 2.21 H new ATOM 0 HH21 ARG B 50 6.875 6.114 7.991 1.00 2.29 H new ATOM 0 HH22 ARG B 50 5.279 6.834 8.231 1.00 2.29 H new ATOM 1798 N SER B 51 12.578 6.238 6.055 1.00 1.40 N ATOM 1799 CA SER B 51 13.819 5.876 6.768 1.00 1.77 C ATOM 1800 C SER B 51 14.641 4.893 5.959 1.00 1.70 C ATOM 1801 O SER B 51 15.843 4.991 5.860 1.00 1.91 O ATOM 1802 CB SER B 51 13.411 5.287 8.093 1.00 2.04 C ATOM 1803 OG SER B 51 12.381 6.177 8.509 1.00 2.11 O ATOM 0 H SER B 51 11.719 6.148 6.598 1.00 1.40 H new ATOM 0 HA SER B 51 14.448 6.754 6.920 1.00 1.77 H new ATOM 0 HB2 SER B 51 13.049 4.264 7.990 1.00 2.04 H new ATOM 0 HB3 SER B 51 14.239 5.263 8.801 1.00 2.04 H new ATOM 0 HG SER B 51 12.030 5.888 9.377 1.00 2.11 H new ATOM 1809 N CYS B 52 13.984 3.949 5.374 1.00 1.50 N ATOM 1810 CA CYS B 52 14.766 2.970 4.593 1.00 1.60 C ATOM 1811 C CYS B 52 15.333 3.622 3.359 1.00 1.30 C ATOM 1812 O CYS B 52 16.378 3.236 2.896 1.00 1.42 O ATOM 1813 CB CYS B 52 13.864 1.829 4.172 1.00 1.71 C ATOM 1814 SG CYS B 52 13.007 0.932 5.488 1.00 2.41 S ATOM 0 H CYS B 52 12.974 3.812 5.398 1.00 1.50 H new ATOM 0 HA CYS B 52 15.582 2.597 5.212 1.00 1.60 H new ATOM 0 HB2 CYS B 52 13.114 2.225 3.488 1.00 1.71 H new ATOM 0 HB3 CYS B 52 14.463 1.114 3.609 1.00 1.71 H new ATOM 0 HG CYS B 52 12.385 -0.091 4.982 1.00 2.41 H new ATOM 1820 N LEU B 53 14.690 4.602 2.822 1.00 1.00 N ATOM 1821 CA LEU B 53 15.267 5.142 1.579 1.00 0.95 C ATOM 1822 C LEU B 53 16.591 5.757 1.953 1.00 1.09 C ATOM 1823 O LEU B 53 17.511 5.773 1.159 1.00 1.19 O ATOM 1824 CB LEU B 53 14.256 6.177 0.996 1.00 0.98 C ATOM 1825 CG LEU B 53 14.671 6.858 -0.341 1.00 1.21 C ATOM 1826 CD1 LEU B 53 15.679 8.010 -0.127 1.00 1.56 C ATOM 1827 CD2 LEU B 53 15.265 5.822 -1.305 1.00 1.58 C ATOM 0 H LEU B 53 13.833 5.036 3.166 1.00 1.00 H new ATOM 0 HA LEU B 53 15.439 4.388 0.811 1.00 0.95 H new ATOM 0 HB2 LEU B 53 13.300 5.675 0.844 1.00 0.98 H new ATOM 0 HB3 LEU B 53 14.093 6.955 1.742 1.00 0.98 H new ATOM 0 HG LEU B 53 13.767 7.288 -0.773 1.00 1.21 H new ATOM 0 HD11 LEU B 53 15.936 8.452 -1.090 1.00 1.56 H new ATOM 0 HD12 LEU B 53 15.232 8.770 0.513 1.00 1.56 H new ATOM 0 HD13 LEU B 53 16.581 7.621 0.347 1.00 1.56 H new ATOM 0 HD21 LEU B 53 15.551 6.313 -2.236 1.00 1.58 H new ATOM 0 HD22 LEU B 53 16.144 5.365 -0.851 1.00 1.58 H new ATOM 0 HD23 LEU B 53 14.523 5.052 -1.514 1.00 1.58 H new ATOM 1839 N ALA B 54 16.619 6.235 3.165 1.00 1.32 N ATOM 1840 CA ALA B 54 17.865 6.865 3.691 1.00 1.66 C ATOM 1841 C ALA B 54 19.102 6.095 3.251 1.00 1.77 C ATOM 1842 O ALA B 54 20.080 6.669 2.816 1.00 2.00 O ATOM 1843 CB ALA B 54 17.883 6.854 5.188 1.00 1.85 C ATOM 0 H ALA B 54 15.834 6.217 3.816 1.00 1.32 H new ATOM 0 HA ALA B 54 17.876 7.883 3.301 1.00 1.66 H new ATOM 0 HB1 ALA B 54 18.802 7.319 5.544 1.00 1.85 H new ATOM 0 HB2 ALA B 54 17.025 7.410 5.566 1.00 1.85 H new ATOM 0 HB3 ALA B 54 17.835 5.825 5.545 1.00 1.85 H new ATOM 1849 N ARG B 55 19.030 4.803 3.383 1.00 1.75 N ATOM 1850 CA ARG B 55 20.198 3.964 3.004 1.00 1.93 C ATOM 1851 C ARG B 55 19.771 3.039 1.889 1.00 1.58 C ATOM 1852 O ARG B 55 20.314 3.009 0.803 1.00 1.71 O ATOM 1853 CB ARG B 55 20.621 3.146 4.215 1.00 2.36 C ATOM 1854 CG ARG B 55 22.053 2.613 4.041 1.00 2.73 C ATOM 1855 CD ARG B 55 22.996 3.811 3.896 1.00 3.04 C ATOM 1856 NE ARG B 55 22.468 4.916 4.741 1.00 2.92 N ATOM 1857 CZ ARG B 55 23.235 5.399 5.686 1.00 3.13 C ATOM 1858 NH1 ARG B 55 24.326 6.026 5.308 1.00 3.65 N ATOM 1859 NH2 ARG B 55 22.885 5.234 6.942 1.00 3.41 N ATOM 0 H ARG B 55 18.219 4.293 3.734 1.00 1.75 H new ATOM 0 HA ARG B 55 21.032 4.583 2.674 1.00 1.93 H new ATOM 0 HB2 ARG B 55 20.564 3.761 5.113 1.00 2.36 H new ATOM 0 HB3 ARG B 55 19.933 2.313 4.355 1.00 2.36 H new ATOM 0 HG2 ARG B 55 22.339 2.006 4.900 1.00 2.73 H new ATOM 0 HG3 ARG B 55 22.116 1.972 3.162 1.00 2.73 H new ATOM 0 HD2 ARG B 55 24.005 3.542 4.208 1.00 3.04 H new ATOM 0 HD3 ARG B 55 23.057 4.124 2.854 1.00 3.04 H new ATOM 0 HE ARG B 55 21.531 5.288 4.588 1.00 2.92 H new ATOM 0 HH11 ARG B 55 24.543 6.119 4.316 1.00 3.65 H new ATOM 0 HH12 ARG B 55 24.956 6.420 6.007 1.00 3.65 H new ATOM 0 HH21 ARG B 55 22.025 4.735 7.171 1.00 3.41 H new ATOM 0 HH22 ARG B 55 23.473 5.605 7.688 1.00 3.41 H new ATOM 1873 N PHE B 56 18.775 2.323 2.291 1.00 1.42 N ATOM 1874 CA PHE B 56 18.052 1.282 1.538 1.00 1.63 C ATOM 1875 C PHE B 56 17.818 0.359 2.706 1.00 2.45 C ATOM 1876 O PHE B 56 18.547 -0.586 2.926 1.00 3.11 O ATOM 1877 CB PHE B 56 18.893 0.530 0.501 1.00 1.48 C ATOM 1878 CG PHE B 56 17.939 -0.514 -0.090 1.00 1.19 C ATOM 1879 CD1 PHE B 56 17.028 -0.162 -1.065 1.00 1.63 C ATOM 1880 CD2 PHE B 56 17.971 -1.819 0.354 1.00 1.30 C ATOM 1881 CE1 PHE B 56 16.166 -1.108 -1.583 1.00 1.51 C ATOM 1882 CE2 PHE B 56 17.112 -2.762 -0.162 1.00 1.24 C ATOM 1883 CZ PHE B 56 16.206 -2.408 -1.134 1.00 0.99 C ATOM 0 H PHE B 56 18.393 2.439 3.229 1.00 1.42 H new ATOM 0 HA PHE B 56 17.210 1.660 0.958 1.00 1.63 H new ATOM 0 HB2 PHE B 56 19.268 1.204 -0.269 1.00 1.48 H new ATOM 0 HB3 PHE B 56 19.761 0.058 0.962 1.00 1.48 H new ATOM 0 HD1 PHE B 56 16.989 0.856 -1.424 1.00 1.63 H new ATOM 0 HD2 PHE B 56 18.680 -2.105 1.117 1.00 1.30 H new ATOM 0 HE1 PHE B 56 15.455 -0.826 -2.346 1.00 1.51 H new ATOM 0 HE2 PHE B 56 17.149 -3.780 0.196 1.00 1.24 H new ATOM 0 HZ PHE B 56 15.531 -3.145 -1.542 1.00 0.99 H new ATOM 1893 N GLY B 57 16.808 0.668 3.456 1.00 2.70 N ATOM 1894 CA GLY B 57 16.513 -0.204 4.627 1.00 3.77 C ATOM 1895 C GLY B 57 17.059 0.481 5.868 1.00 4.43 C ATOM 1896 O GLY B 57 16.300 0.895 6.722 1.00 4.85 O ATOM 0 H GLY B 57 16.185 1.464 3.320 1.00 2.70 H new ATOM 0 HA2 GLY B 57 15.439 -0.366 4.722 1.00 3.77 H new ATOM 0 HA3 GLY B 57 16.973 -1.184 4.499 1.00 3.77 H new ATOM 1900 N ASP B 58 18.357 0.588 5.946 1.00 4.82 N ATOM 1901 CA ASP B 58 18.935 1.259 7.144 1.00 5.78 C ATOM 1902 C ASP B 58 18.518 2.708 7.076 1.00 6.31 C ATOM 1903 O ASP B 58 18.249 3.207 5.999 1.00 6.58 O ATOM 1904 CB ASP B 58 20.463 1.200 7.144 1.00 6.24 C ATOM 1905 CG ASP B 58 20.986 2.053 8.302 1.00 6.76 C ATOM 1906 OD1 ASP B 58 20.528 1.798 9.399 1.00 6.88 O ATOM 1907 OD2 ASP B 58 21.809 2.909 8.026 1.00 7.19 O ATOM 0 H ASP B 58 19.026 0.251 5.254 1.00 4.82 H new ATOM 0 HA ASP B 58 18.580 0.759 8.045 1.00 5.78 H new ATOM 0 HB2 ASP B 58 20.802 0.169 7.251 1.00 6.24 H new ATOM 0 HB3 ASP B 58 20.856 1.568 6.196 1.00 6.24 H new ATOM 1912 N ASP B 59 18.480 3.325 8.220 1.00 6.74 N ATOM 1913 CA ASP B 59 18.081 4.750 8.293 1.00 7.58 C ATOM 1914 C ASP B 59 19.354 5.545 8.504 1.00 8.01 C ATOM 1915 O ASP B 59 20.182 5.633 7.618 1.00 8.18 O ATOM 1916 CB ASP B 59 17.121 4.960 9.470 1.00 8.09 C ATOM 1917 CG ASP B 59 16.734 6.437 9.521 1.00 8.40 C ATOM 1918 OD1 ASP B 59 16.302 6.925 8.492 1.00 8.62 O ATOM 1919 OD2 ASP B 59 16.897 6.989 10.595 1.00 8.56 O ATOM 0 H ASP B 59 18.711 2.896 9.116 1.00 6.74 H new ATOM 0 HA ASP B 59 17.569 5.068 7.385 1.00 7.58 H new ATOM 0 HB2 ASP B 59 16.233 4.339 9.350 1.00 8.09 H new ATOM 0 HB3 ASP B 59 17.596 4.660 10.404 1.00 8.09 H new ATOM 1924 N GLY B 60 19.500 6.112 9.665 1.00 8.32 N ATOM 1925 CA GLY B 60 20.724 6.893 9.926 1.00 8.93 C ATOM 1926 C GLY B 60 21.782 5.874 10.299 1.00 9.28 C ATOM 1927 O GLY B 60 21.456 4.886 10.925 1.00 9.74 O ATOM 0 H GLY B 60 18.831 6.067 10.433 1.00 8.32 H new ATOM 0 HA2 GLY B 60 21.021 7.463 9.046 1.00 8.93 H new ATOM 0 HA3 GLY B 60 20.568 7.610 10.732 1.00 8.93 H new ATOM 1931 N GLU B 61 22.988 6.174 9.893 1.00 9.25 N ATOM 1932 CA GLU B 61 24.186 5.317 10.139 1.00 9.85 C ATOM 1933 C GLU B 61 24.028 4.306 11.271 1.00 10.44 C ATOM 1934 O GLU B 61 24.453 4.569 12.380 1.00 10.96 O ATOM 1935 CB GLU B 61 25.391 6.216 10.466 1.00 9.95 C ATOM 1936 CG GLU B 61 25.370 7.480 9.605 1.00 9.52 C ATOM 1937 CD GLU B 61 25.161 7.072 8.165 1.00 9.36 C ATOM 1938 OE1 GLU B 61 25.923 6.244 7.702 1.00 9.60 O ATOM 1939 OE2 GLU B 61 24.229 7.612 7.598 1.00 9.14 O ATOM 0 H GLU B 61 23.200 7.025 9.373 1.00 9.25 H new ATOM 0 HA GLU B 61 24.328 4.742 9.224 1.00 9.85 H new ATOM 0 HB2 GLU B 61 25.373 6.488 11.521 1.00 9.95 H new ATOM 0 HB3 GLU B 61 26.317 5.668 10.294 1.00 9.95 H new ATOM 0 HG2 GLU B 61 24.572 8.147 9.930 1.00 9.52 H new ATOM 0 HG3 GLU B 61 26.306 8.028 9.712 1.00 9.52 H new ATOM 1946 N ASN B 62 23.432 3.184 10.988 1.00 10.52 N ATOM 1947 CA ASN B 62 23.283 2.172 12.068 1.00 11.24 C ATOM 1948 C ASN B 62 24.040 0.981 11.543 1.00 11.48 C ATOM 1949 O ASN B 62 24.165 0.825 10.344 1.00 11.62 O ATOM 1950 CB ASN B 62 21.832 1.771 12.266 1.00 11.72 C ATOM 1951 CG ASN B 62 21.723 0.981 13.574 1.00 12.30 C ATOM 1952 OD1 ASN B 62 22.191 -0.236 13.645 1.00 12.60 O flip ATOM 1953 ND2 ASN B 62 21.202 1.472 14.558 1.00 12.60 N flip ATOM 0 H ASN B 62 23.049 2.927 10.078 1.00 10.52 H new ATOM 0 HA ASN B 62 23.640 2.552 13.025 1.00 11.24 H new ATOM 0 HB2 ASN B 62 21.196 2.655 12.303 1.00 11.72 H new ATOM 0 HB3 ASN B 62 21.488 1.166 11.427 1.00 11.72 H new ATOM 0 HD21 ASN B 62 20.832 2.422 14.519 1.00 12.60 H new ATOM 0 HD22 ASN B 62 21.136 0.934 15.422 1.00 12.60 H new ATOM 1960 N LEU B 63 24.533 0.174 12.433 1.00 11.67 N ATOM 1961 CA LEU B 63 25.287 -1.025 12.006 1.00 12.09 C ATOM 1962 C LEU B 63 25.175 -1.996 13.160 1.00 12.33 C ATOM 1963 O LEU B 63 24.594 -1.553 14.135 1.00 12.50 O ATOM 1964 CB LEU B 63 26.775 -0.692 11.752 1.00 12.49 C ATOM 1965 CG LEU B 63 27.546 -0.265 13.036 1.00 12.64 C ATOM 1966 CD1 LEU B 63 29.043 -0.184 12.687 1.00 12.78 C ATOM 1967 CD2 LEU B 63 27.107 1.124 13.549 1.00 12.96 C ATOM 1968 OXT LEU B 63 25.667 -3.096 13.003 1.00 12.46 O ATOM 0 H LEU B 63 24.445 0.295 13.442 1.00 11.67 H new ATOM 0 HA LEU B 63 24.889 -1.428 11.075 1.00 12.09 H new ATOM 0 HB2 LEU B 63 27.265 -1.563 11.317 1.00 12.49 H new ATOM 0 HB3 LEU B 63 26.839 0.110 11.016 1.00 12.49 H new ATOM 0 HG LEU B 63 27.337 -0.999 13.814 1.00 12.64 H new ATOM 0 HD11 LEU B 63 29.607 0.114 13.571 1.00 12.78 H new ATOM 0 HD12 LEU B 63 29.390 -1.159 12.346 1.00 12.78 H new ATOM 0 HD13 LEU B 63 29.193 0.551 11.896 1.00 12.78 H new ATOM 0 HD21 LEU B 63 27.673 1.376 14.445 1.00 12.96 H new ATOM 0 HD22 LEU B 63 27.294 1.872 12.779 1.00 12.96 H new ATOM 0 HD23 LEU B 63 26.043 1.105 13.785 1.00 12.96 H new TER 1980 LEU B 63