USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 916 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 55 THR OG1 : rot 43:sc= 0.684 USER MOD Set 1.2: A 95 LYS NZ :NH3+ -152:sc= 2.06 (180deg=0.634) USER MOD Set 2.1: A 84 GLN : amide:sc= -0.732 K(o=-0.62,f=-1.8) USER MOD Set 2.2: A 87 CYS SG : rot 61:sc= 0.116 USER MOD Set 3.1: A 69 LYS NZ :NH3+ 152:sc= 0.341 (180deg=-1.49!) USER MOD Set 3.2: A 76 THR OG1 : rot -160:sc= 0.602 USER MOD Set 4.1: A 39 ASN : amide:sc= 0.405 K(o=0.96,f=-4.6!) USER MOD Set 4.2: A 40 SER OG : rot 70:sc= 0.555 USER MOD Set 5.1: A 26 ASN : amide:sc=-0.00354 K(o=-0.63,f=-1.1) USER MOD Set 5.2: B 208 HIS : no HD1:sc= -0.624 K(o=-0.63,f=-2.3!) USER MOD Set 6.1: A 10 THR OG1 : rot 180:sc= 1.04 USER MOD Set 6.2: A 19 SER OG : rot -153:sc= 1.41 USER MOD Set 7.1: A 3 LYS NZ :NH3+ 155:sc= 1.87 (180deg=-0.115) USER MOD Set 7.2: A 9 GLN : amide:sc= 1.49 K(o=3.4,f=-8.4!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0142 (180deg=-0.266) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.135 (180deg=-0.151) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 155:sc= -0.12 (180deg=-0.596) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -160:sc= -0.31 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00505 USER MOD Single : A 24 HIS : +bothHN:sc= 1.28 K(o=1.3,f=-6.7!) USER MOD Single : A 25 SER OG : rot 160:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 79:sc= -0.404 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 37 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.012) USER MOD Single : A 45 GLN : amide:sc= 0.393 K(o=0.39,f=-5.3!) USER MOD Single : A 49 GLN : amide:sc= 0.698 K(o=0.7,f=-0.56) USER MOD Single : A 62 GLN : amide:sc= -3.32! C(o=-3.3!,f=-3.9!) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0209 (180deg=-0.221) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 2.19 (180deg=2.03) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 1.26 (180deg=0.65) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -53:sc= 0.872 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -5.07! C(o=-5.1!,f=-7!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.328 X(o=0.33,f=-0.041) USER MOD Single : B 192 TYR OH : rot 180:sc= 0 USER MOD Single : B 196 ASN : amide:sc= -0.0089 X(o=-0.0089,f=-0.28) USER MOD Single : B 199 LYS NZ :NH3+ -156:sc= -0.218 (180deg=-0.923) USER MOD Single : B 201 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0496) USER MOD Single : B 204 MET CE :methyl -140:sc= 0 (180deg=-1.04) USER MOD Single : B 205 THR OG1 : rot 180:sc= -0.337 USER MOD Single : B 206 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.091) USER MOD Single : B 207 SER OG : rot 28:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.551 -14.422 -10.241 1.00 1.79 N ATOM 2 CA MET A 1 -4.107 -13.023 -10.036 1.00 1.50 C ATOM 3 C MET A 1 -5.299 -12.075 -9.943 1.00 1.45 C ATOM 4 O MET A 1 -5.143 -10.903 -9.595 1.00 2.06 O ATOM 5 CB MET A 1 -3.185 -12.574 -11.173 1.00 1.78 C ATOM 6 CG MET A 1 -3.856 -12.571 -12.538 1.00 2.07 C ATOM 7 SD MET A 1 -2.797 -11.910 -13.837 1.00 2.89 S ATOM 8 CE MET A 1 -2.786 -10.166 -13.416 1.00 2.97 C ATOM 0 H1 MET A 1 -3.720 -15.040 -10.334 1.00 1.79 H new ATOM 0 H2 MET A 1 -5.120 -14.728 -9.426 1.00 1.79 H new ATOM 0 H3 MET A 1 -5.125 -14.481 -11.106 1.00 1.79 H new ATOM 0 HA MET A 1 -3.558 -12.989 -9.095 1.00 1.50 H new ATOM 0 HB2 MET A 1 -2.817 -11.571 -10.956 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.316 -13.232 -11.206 1.00 1.78 H new ATOM 0 HG2 MET A 1 -4.147 -13.589 -12.796 1.00 2.07 H new ATOM 0 HG3 MET A 1 -4.771 -11.981 -12.486 1.00 2.07 H new ATOM 0 HE1 MET A 1 -2.404 -9.591 -14.259 1.00 2.97 H new ATOM 0 HE2 MET A 1 -3.800 -9.841 -13.185 1.00 2.97 H new ATOM 0 HE3 MET A 1 -2.147 -10.005 -12.548 1.00 2.97 H new ATOM 20 N ALA A 2 -6.488 -12.578 -10.254 1.00 1.41 N ATOM 21 CA ALA A 2 -7.690 -11.765 -10.201 1.00 1.47 C ATOM 22 C ALA A 2 -8.196 -11.651 -8.768 1.00 1.31 C ATOM 23 O ALA A 2 -9.092 -12.387 -8.350 1.00 1.40 O ATOM 24 CB ALA A 2 -8.770 -12.345 -11.106 1.00 1.83 C ATOM 0 H ALA A 2 -6.642 -13.544 -10.545 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.444 -10.765 -10.559 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.663 -11.722 -11.053 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.408 -12.372 -12.134 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -9.013 -13.356 -10.780 1.00 1.83 H new ATOM 30 N LYS A 3 -7.601 -10.749 -8.007 1.00 1.21 N ATOM 31 CA LYS A 3 -8.011 -10.546 -6.630 1.00 1.10 C ATOM 32 C LYS A 3 -9.183 -9.581 -6.580 1.00 1.05 C ATOM 33 O LYS A 3 -9.050 -8.444 -6.130 1.00 1.21 O ATOM 34 CB LYS A 3 -6.858 -10.023 -5.775 1.00 1.11 C ATOM 35 CG LYS A 3 -6.901 -10.550 -4.353 1.00 1.22 C ATOM 36 CD LYS A 3 -5.971 -9.783 -3.429 1.00 1.18 C ATOM 37 CE LYS A 3 -6.677 -8.622 -2.752 1.00 1.23 C ATOM 38 NZ LYS A 3 -6.361 -8.550 -1.299 1.00 1.47 N ATOM 0 H LYS A 3 -6.837 -10.149 -8.318 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.316 -11.509 -6.220 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -5.911 -10.307 -6.235 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -6.890 -8.934 -5.756 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.921 -10.486 -3.974 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -6.625 -11.605 -4.350 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.574 -10.458 -2.671 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.121 -9.408 -3.999 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -6.385 -7.689 -3.234 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.754 -8.725 -2.884 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -6.485 -7.573 -0.965 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -7.000 -9.180 -0.773 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.377 -8.847 -1.143 1.00 1.47 H new ATOM 52 N THR A 4 -10.316 -10.036 -7.088 1.00 1.06 N ATOM 53 CA THR A 4 -11.528 -9.241 -7.114 1.00 1.06 C ATOM 54 C THR A 4 -12.661 -9.980 -6.418 1.00 1.13 C ATOM 55 O THR A 4 -13.104 -9.588 -5.336 1.00 1.27 O ATOM 56 CB THR A 4 -11.943 -8.918 -8.560 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.514 -9.977 -9.428 1.00 1.22 O ATOM 58 CG2 THR A 4 -11.347 -7.596 -9.021 1.00 1.23 C ATOM 0 H THR A 4 -10.420 -10.966 -7.493 1.00 1.06 H new ATOM 0 HA THR A 4 -11.326 -8.308 -6.588 1.00 1.06 H new ATOM 0 HB THR A 4 -13.029 -8.829 -8.596 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.779 -9.773 -10.349 1.00 1.22 H new ATOM 0 HG21 THR A 4 -11.658 -7.395 -10.046 1.00 1.23 H new ATOM 0 HG22 THR A 4 -11.696 -6.793 -8.372 1.00 1.23 H new ATOM 0 HG23 THR A 4 -10.259 -7.652 -8.976 1.00 1.23 H new ATOM 66 N GLU A 5 -13.102 -11.069 -7.040 1.00 1.20 N ATOM 67 CA GLU A 5 -14.190 -11.882 -6.514 1.00 1.33 C ATOM 68 C GLU A 5 -13.700 -12.803 -5.397 1.00 1.31 C ATOM 69 O GLU A 5 -13.357 -13.963 -5.638 1.00 1.58 O ATOM 70 CB GLU A 5 -14.805 -12.723 -7.631 1.00 1.56 C ATOM 71 CG GLU A 5 -15.148 -11.932 -8.884 1.00 1.73 C ATOM 72 CD GLU A 5 -15.486 -12.826 -10.057 1.00 1.94 C ATOM 73 OE1 GLU A 5 -14.551 -13.303 -10.732 1.00 2.37 O ATOM 74 OE2 GLU A 5 -16.690 -13.063 -10.307 1.00 2.15 O ATOM 0 H GLU A 5 -12.716 -11.411 -7.920 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.943 -11.208 -6.105 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -14.111 -13.520 -7.896 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -15.710 -13.200 -7.256 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -15.993 -11.276 -8.676 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -14.306 -11.293 -9.149 1.00 1.73 H new ATOM 81 N GLU A 6 -13.655 -12.281 -4.179 1.00 1.20 N ATOM 82 CA GLU A 6 -13.211 -13.063 -3.030 1.00 1.19 C ATOM 83 C GLU A 6 -14.051 -12.735 -1.797 1.00 1.14 C ATOM 84 O GLU A 6 -14.795 -13.582 -1.299 1.00 1.26 O ATOM 85 CB GLU A 6 -11.725 -12.805 -2.729 1.00 1.16 C ATOM 86 CG GLU A 6 -10.801 -13.064 -3.912 1.00 1.41 C ATOM 87 CD GLU A 6 -9.381 -13.410 -3.504 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.914 -12.930 -2.449 1.00 1.83 O ATOM 89 OE2 GLU A 6 -8.722 -14.168 -4.246 1.00 1.64 O ATOM 0 H GLU A 6 -13.920 -11.321 -3.960 1.00 1.20 H new ATOM 0 HA GLU A 6 -13.340 -14.117 -3.277 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.604 -11.771 -2.406 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -11.418 -13.437 -1.896 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -11.208 -13.880 -4.510 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.783 -12.180 -4.549 1.00 1.41 H new ATOM 96 N MET A 7 -13.923 -11.497 -1.318 1.00 1.05 N ATOM 97 CA MET A 7 -14.655 -11.023 -0.137 1.00 1.09 C ATOM 98 C MET A 7 -14.357 -11.898 1.089 1.00 1.12 C ATOM 99 O MET A 7 -15.185 -12.041 1.987 1.00 1.32 O ATOM 100 CB MET A 7 -16.165 -10.992 -0.413 1.00 1.22 C ATOM 101 CG MET A 7 -16.923 -9.973 0.426 1.00 1.44 C ATOM 102 SD MET A 7 -18.690 -10.330 0.518 1.00 1.75 S ATOM 103 CE MET A 7 -18.686 -11.819 1.514 1.00 2.16 C ATOM 0 H MET A 7 -13.312 -10.795 -1.734 1.00 1.05 H new ATOM 0 HA MET A 7 -14.317 -10.009 0.079 1.00 1.09 H new ATOM 0 HB2 MET A 7 -16.327 -10.773 -1.468 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.579 -11.983 -0.226 1.00 1.22 H new ATOM 0 HG2 MET A 7 -16.506 -9.955 1.433 1.00 1.44 H new ATOM 0 HG3 MET A 7 -16.778 -8.979 0.003 1.00 1.44 H new ATOM 0 HE1 MET A 7 -19.644 -11.918 2.024 1.00 2.16 H new ATOM 0 HE2 MET A 7 -18.525 -12.685 0.872 1.00 2.16 H new ATOM 0 HE3 MET A 7 -17.886 -11.761 2.252 1.00 2.16 H new ATOM 113 N VAL A 8 -13.164 -12.482 1.120 1.00 1.13 N ATOM 114 CA VAL A 8 -12.757 -13.338 2.227 1.00 1.22 C ATOM 115 C VAL A 8 -11.397 -12.912 2.766 1.00 1.14 C ATOM 116 O VAL A 8 -10.423 -13.661 2.727 1.00 1.34 O ATOM 117 CB VAL A 8 -12.710 -14.826 1.814 1.00 1.45 C ATOM 118 CG1 VAL A 8 -14.104 -15.436 1.853 1.00 1.70 C ATOM 119 CG2 VAL A 8 -12.095 -14.986 0.429 1.00 1.49 C ATOM 0 H VAL A 8 -12.461 -12.377 0.389 1.00 1.13 H new ATOM 0 HA VAL A 8 -13.506 -13.226 3.011 1.00 1.22 H new ATOM 0 HB VAL A 8 -12.081 -15.357 2.528 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.051 -16.484 1.559 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -14.505 -15.362 2.864 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -14.756 -14.899 1.164 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -12.073 -16.042 0.161 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -12.693 -14.439 -0.300 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -11.079 -14.592 0.434 1.00 1.49 H new ATOM 129 N GLN A 9 -11.333 -11.680 3.236 1.00 0.97 N ATOM 130 CA GLN A 9 -10.103 -11.132 3.783 1.00 0.93 C ATOM 131 C GLN A 9 -10.299 -10.758 5.251 1.00 0.91 C ATOM 132 O GLN A 9 -11.132 -11.351 5.934 1.00 0.98 O ATOM 133 CB GLN A 9 -9.685 -9.914 2.961 1.00 0.89 C ATOM 134 CG GLN A 9 -9.701 -10.168 1.464 1.00 1.00 C ATOM 135 CD GLN A 9 -8.436 -10.839 0.976 1.00 1.20 C ATOM 136 OE1 GLN A 9 -7.542 -10.182 0.448 1.00 1.49 O ATOM 137 NE2 GLN A 9 -8.341 -12.146 1.162 1.00 1.43 N ATOM 0 H GLN A 9 -12.123 -11.035 3.250 1.00 0.97 H new ATOM 0 HA GLN A 9 -9.313 -11.881 3.730 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -10.353 -9.083 3.189 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.682 -9.608 3.260 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -10.559 -10.792 1.214 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.832 -9.221 0.940 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -9.106 -12.655 1.605 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -7.503 -12.644 0.863 1.00 1.43 H new ATOM 146 N THR A 10 -9.531 -9.787 5.732 1.00 0.91 N ATOM 147 CA THR A 10 -9.638 -9.338 7.114 1.00 0.91 C ATOM 148 C THR A 10 -11.006 -8.699 7.352 1.00 0.88 C ATOM 149 O THR A 10 -11.450 -7.851 6.576 1.00 0.82 O ATOM 150 CB THR A 10 -8.525 -8.329 7.453 1.00 0.89 C ATOM 151 OG1 THR A 10 -7.320 -8.681 6.752 1.00 0.98 O ATOM 152 CG2 THR A 10 -8.258 -8.299 8.949 1.00 0.96 C ATOM 0 H THR A 10 -8.826 -9.295 5.183 1.00 0.91 H new ATOM 0 HA THR A 10 -9.526 -10.206 7.764 1.00 0.91 H new ATOM 0 HB THR A 10 -8.853 -7.337 7.141 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.615 -8.036 6.969 1.00 0.98 H new ATOM 0 HG21 THR A 10 -7.468 -7.579 9.163 1.00 0.96 H new ATOM 0 HG22 THR A 10 -9.167 -8.008 9.475 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.947 -9.289 9.283 1.00 0.96 H new ATOM 160 N GLU A 11 -11.673 -9.114 8.416 1.00 0.99 N ATOM 161 CA GLU A 11 -12.997 -8.603 8.725 1.00 1.04 C ATOM 162 C GLU A 11 -12.927 -7.366 9.614 1.00 1.02 C ATOM 163 O GLU A 11 -11.971 -7.177 10.370 1.00 1.03 O ATOM 164 CB GLU A 11 -13.829 -9.690 9.404 1.00 1.19 C ATOM 165 CG GLU A 11 -15.326 -9.462 9.297 1.00 1.29 C ATOM 166 CD GLU A 11 -16.129 -10.612 9.855 1.00 1.51 C ATOM 167 OE1 GLU A 11 -16.230 -11.657 9.177 1.00 1.58 O ATOM 168 OE2 GLU A 11 -16.654 -10.481 10.976 1.00 1.89 O ATOM 0 H GLU A 11 -11.319 -9.803 9.080 1.00 0.99 H new ATOM 0 HA GLU A 11 -13.472 -8.313 7.788 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.584 -10.655 8.960 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -13.552 -9.744 10.457 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -15.590 -8.548 9.829 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.593 -9.311 8.251 1.00 1.29 H new ATOM 175 N GLU A 12 -13.947 -6.525 9.507 1.00 1.07 N ATOM 176 CA GLU A 12 -14.033 -5.309 10.294 1.00 1.10 C ATOM 177 C GLU A 12 -15.490 -5.028 10.643 1.00 1.22 C ATOM 178 O GLU A 12 -16.391 -5.709 10.147 1.00 1.54 O ATOM 179 CB GLU A 12 -13.429 -4.137 9.519 1.00 1.07 C ATOM 180 CG GLU A 12 -13.159 -2.904 10.367 1.00 1.18 C ATOM 181 CD GLU A 12 -12.461 -3.240 11.667 1.00 1.74 C ATOM 182 OE1 GLU A 12 -11.225 -3.394 11.667 1.00 2.23 O ATOM 183 OE2 GLU A 12 -13.155 -3.364 12.697 1.00 2.22 O ATOM 0 H GLU A 12 -14.734 -6.668 8.874 1.00 1.07 H new ATOM 0 HA GLU A 12 -13.468 -5.436 11.218 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -12.495 -4.461 9.061 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -14.104 -3.866 8.707 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -12.547 -2.203 9.800 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -14.102 -2.401 10.583 1.00 1.18 H new ATOM 190 N MET A 13 -15.713 -4.036 11.498 1.00 1.20 N ATOM 191 CA MET A 13 -17.059 -3.657 11.924 1.00 1.31 C ATOM 192 C MET A 13 -17.962 -3.310 10.741 1.00 1.28 C ATOM 193 O MET A 13 -19.155 -3.601 10.762 1.00 1.46 O ATOM 194 CB MET A 13 -16.991 -2.475 12.888 1.00 1.40 C ATOM 195 CG MET A 13 -16.398 -2.835 14.238 1.00 1.63 C ATOM 196 SD MET A 13 -16.140 -1.397 15.294 1.00 1.83 S ATOM 197 CE MET A 13 -15.660 -2.191 16.826 1.00 2.25 C ATOM 0 H MET A 13 -14.971 -3.473 11.915 1.00 1.20 H new ATOM 0 HA MET A 13 -17.494 -4.520 12.429 1.00 1.31 H new ATOM 0 HB2 MET A 13 -16.395 -1.681 12.437 1.00 1.40 H new ATOM 0 HB3 MET A 13 -17.995 -2.076 13.034 1.00 1.40 H new ATOM 0 HG2 MET A 13 -17.060 -3.538 14.744 1.00 1.63 H new ATOM 0 HG3 MET A 13 -15.446 -3.345 14.087 1.00 1.63 H new ATOM 0 HE1 MET A 13 -15.465 -1.432 17.584 1.00 2.25 H new ATOM 0 HE2 MET A 13 -16.464 -2.844 17.165 1.00 2.25 H new ATOM 0 HE3 MET A 13 -14.758 -2.781 16.663 1.00 2.25 H new ATOM 207 N GLU A 14 -17.393 -2.691 9.713 1.00 1.19 N ATOM 208 CA GLU A 14 -18.168 -2.319 8.534 1.00 1.18 C ATOM 209 C GLU A 14 -17.663 -3.049 7.297 1.00 1.09 C ATOM 210 O GLU A 14 -18.449 -3.593 6.525 1.00 1.18 O ATOM 211 CB GLU A 14 -18.112 -0.806 8.303 1.00 1.19 C ATOM 212 CG GLU A 14 -18.964 -0.335 7.132 1.00 1.29 C ATOM 213 CD GLU A 14 -18.850 1.156 6.893 1.00 1.54 C ATOM 214 OE1 GLU A 14 -19.081 1.930 7.844 1.00 2.02 O ATOM 215 OE2 GLU A 14 -18.523 1.565 5.759 1.00 2.13 O ATOM 0 H GLU A 14 -16.406 -2.438 9.671 1.00 1.19 H new ATOM 0 HA GLU A 14 -19.203 -2.611 8.713 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -18.441 -0.296 9.209 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -17.077 -0.512 8.130 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.663 -0.868 6.230 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -20.007 -0.591 7.320 1.00 1.29 H new ATOM 222 N THR A 15 -16.349 -3.049 7.113 1.00 0.98 N ATOM 223 CA THR A 15 -15.734 -3.704 5.972 1.00 0.90 C ATOM 224 C THR A 15 -16.021 -5.211 5.971 1.00 0.94 C ATOM 225 O THR A 15 -15.622 -5.931 6.893 1.00 0.98 O ATOM 226 CB THR A 15 -14.217 -3.457 5.968 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.900 -2.399 6.888 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.739 -3.076 4.581 1.00 0.91 C ATOM 0 H THR A 15 -15.687 -2.599 7.745 1.00 0.98 H new ATOM 0 HA THR A 15 -16.169 -3.276 5.069 1.00 0.90 H new ATOM 0 HB THR A 15 -13.715 -4.376 6.271 1.00 0.84 H new ATOM 0 HG1 THR A 15 -13.021 -2.026 6.667 1.00 0.83 H new ATOM 0 HG21 THR A 15 -12.663 -2.906 4.601 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.966 -3.882 3.884 1.00 0.91 H new ATOM 0 HG23 THR A 15 -14.244 -2.165 4.259 1.00 0.91 H new ATOM 236 N PRO A 16 -16.711 -5.704 4.926 1.00 0.97 N ATOM 237 CA PRO A 16 -17.077 -7.118 4.806 1.00 1.04 C ATOM 238 C PRO A 16 -15.919 -7.997 4.339 1.00 0.96 C ATOM 239 O PRO A 16 -15.940 -8.532 3.230 1.00 0.96 O ATOM 240 CB PRO A 16 -18.196 -7.094 3.766 1.00 1.12 C ATOM 241 CG PRO A 16 -17.883 -5.925 2.896 1.00 1.07 C ATOM 242 CD PRO A 16 -17.184 -4.914 3.771 1.00 0.98 C ATOM 0 HA PRO A 16 -17.369 -7.547 5.764 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -18.221 -8.020 3.191 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -19.172 -6.985 4.238 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -17.247 -6.222 2.062 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.793 -5.505 2.469 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -16.355 -4.438 3.247 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.862 -4.119 4.082 1.00 0.98 H new ATOM 250 N ARG A 17 -14.913 -8.135 5.198 1.00 0.95 N ATOM 251 CA ARG A 17 -13.737 -8.950 4.906 1.00 0.92 C ATOM 252 C ARG A 17 -13.010 -8.448 3.658 1.00 0.82 C ATOM 253 O ARG A 17 -12.863 -9.172 2.671 1.00 0.83 O ATOM 254 CB ARG A 17 -14.126 -10.425 4.748 1.00 1.01 C ATOM 255 CG ARG A 17 -14.626 -11.065 6.033 1.00 1.13 C ATOM 256 CD ARG A 17 -14.927 -12.544 5.839 1.00 1.19 C ATOM 257 NE ARG A 17 -15.273 -13.205 7.098 1.00 1.38 N ATOM 258 CZ ARG A 17 -15.186 -14.522 7.297 1.00 1.67 C ATOM 259 NH1 ARG A 17 -14.760 -15.323 6.325 1.00 1.84 N ATOM 260 NH2 ARG A 17 -15.511 -15.035 8.477 1.00 1.94 N ATOM 0 H ARG A 17 -14.890 -7.686 6.114 1.00 0.95 H new ATOM 0 HA ARG A 17 -13.053 -8.862 5.750 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.901 -10.508 3.986 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -13.262 -10.983 4.387 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -13.877 -10.945 6.816 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -15.526 -10.551 6.371 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.750 -12.657 5.133 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -14.059 -13.035 5.399 1.00 1.19 H new ATOM 0 HE ARG A 17 -15.600 -12.624 7.870 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -14.497 -14.932 5.420 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -14.696 -16.328 6.484 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -15.827 -14.423 9.230 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -15.445 -16.041 8.631 1.00 1.94 H new ATOM 274 N LEU A 18 -12.546 -7.204 3.721 1.00 0.75 N ATOM 275 CA LEU A 18 -11.838 -6.584 2.610 1.00 0.67 C ATOM 276 C LEU A 18 -10.420 -6.200 3.028 1.00 0.63 C ATOM 277 O LEU A 18 -10.211 -5.639 4.104 1.00 0.66 O ATOM 278 CB LEU A 18 -12.586 -5.336 2.137 1.00 0.65 C ATOM 279 CG LEU A 18 -13.385 -5.488 0.840 1.00 0.64 C ATOM 280 CD1 LEU A 18 -14.530 -6.470 1.014 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.914 -4.136 0.388 1.00 0.66 C ATOM 0 H LEU A 18 -12.650 -6.602 4.538 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.785 -7.304 1.793 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.269 -5.024 2.927 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.863 -4.531 2.004 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.717 -5.882 0.074 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -15.080 -6.558 0.077 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -14.133 -7.446 1.295 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -15.200 -6.113 1.796 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.480 -4.257 -0.535 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.563 -3.722 1.160 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -13.078 -3.458 0.215 1.00 0.66 H new ATOM 293 N SER A 19 -9.449 -6.515 2.184 1.00 0.63 N ATOM 294 CA SER A 19 -8.055 -6.201 2.463 1.00 0.64 C ATOM 295 C SER A 19 -7.296 -5.955 1.168 1.00 0.61 C ATOM 296 O SER A 19 -7.590 -6.561 0.133 1.00 0.70 O ATOM 297 CB SER A 19 -7.396 -7.325 3.262 1.00 0.77 C ATOM 298 OG SER A 19 -8.130 -7.591 4.444 1.00 1.44 O ATOM 0 H SER A 19 -9.602 -6.991 1.295 1.00 0.63 H new ATOM 0 HA SER A 19 -8.024 -5.291 3.063 1.00 0.64 H new ATOM 0 HB2 SER A 19 -7.338 -8.227 2.652 1.00 0.77 H new ATOM 0 HB3 SER A 19 -6.373 -7.047 3.517 1.00 0.77 H new ATOM 0 HG SER A 19 -7.529 -7.954 5.128 1.00 1.44 H new ATOM 304 N VAL A 20 -6.318 -5.078 1.238 1.00 0.55 N ATOM 305 CA VAL A 20 -5.525 -4.713 0.078 1.00 0.56 C ATOM 306 C VAL A 20 -4.089 -5.222 0.204 1.00 0.67 C ATOM 307 O VAL A 20 -3.572 -5.395 1.311 1.00 0.73 O ATOM 308 CB VAL A 20 -5.511 -3.179 -0.100 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.623 -2.522 0.944 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.068 -2.799 -1.503 1.00 0.53 C ATOM 0 H VAL A 20 -6.049 -4.598 2.097 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.983 -5.179 -0.795 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.528 -2.814 0.042 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.629 -1.442 0.799 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.998 -2.756 1.940 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.604 -2.896 0.843 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.067 -1.714 -1.603 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -4.063 -3.181 -1.683 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.756 -3.229 -2.231 1.00 0.53 H new ATOM 320 N ILE A 21 -3.459 -5.476 -0.933 1.00 0.73 N ATOM 321 CA ILE A 21 -2.081 -5.928 -0.950 1.00 0.86 C ATOM 322 C ILE A 21 -1.171 -4.744 -1.234 1.00 0.87 C ATOM 323 O ILE A 21 -1.079 -4.281 -2.374 1.00 0.88 O ATOM 324 CB ILE A 21 -1.832 -7.022 -2.014 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.744 -8.227 -1.771 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.370 -7.446 -2.007 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.552 -9.345 -2.777 1.00 1.10 C ATOM 0 H ILE A 21 -3.883 -5.376 -1.855 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.866 -6.361 0.027 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.067 -6.609 -2.995 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.560 -8.615 -0.769 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.783 -7.898 -1.800 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.211 -8.217 -2.761 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.260 -6.585 -2.230 1.00 1.11 H new ATOM 0 HG23 ILE A 21 -0.110 -7.841 -1.025 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -3.231 -10.165 -2.543 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.764 -8.973 -3.779 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.523 -9.702 -2.733 1.00 1.10 H new ATOM 339 N VAL A 22 -0.542 -4.229 -0.190 1.00 0.89 N ATOM 340 CA VAL A 22 0.362 -3.101 -0.325 1.00 0.93 C ATOM 341 C VAL A 22 1.731 -3.603 -0.748 1.00 1.07 C ATOM 342 O VAL A 22 2.435 -4.236 0.038 1.00 1.15 O ATOM 343 CB VAL A 22 0.494 -2.310 0.995 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.180 -0.973 0.757 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.869 -2.109 1.640 1.00 0.80 C ATOM 0 H VAL A 22 -0.642 -4.577 0.764 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.049 -2.430 -1.079 1.00 0.93 H new ATOM 0 HB VAL A 22 1.112 -2.891 1.679 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.262 -0.433 1.700 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.176 -1.143 0.348 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.594 -0.384 0.052 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.753 -1.550 2.568 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.515 -1.554 0.960 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.317 -3.079 1.854 1.00 0.80 H new ATOM 355 N THR A 23 2.102 -3.340 -1.987 1.00 1.12 N ATOM 356 CA THR A 23 3.380 -3.800 -2.494 1.00 1.26 C ATOM 357 C THR A 23 4.353 -2.653 -2.726 1.00 1.32 C ATOM 358 O THR A 23 4.012 -1.625 -3.317 1.00 1.28 O ATOM 359 CB THR A 23 3.205 -4.604 -3.794 1.00 1.33 C ATOM 360 OG1 THR A 23 1.929 -4.311 -4.383 1.00 1.89 O ATOM 361 CG2 THR A 23 3.313 -6.098 -3.521 1.00 1.63 C ATOM 0 H THR A 23 1.541 -2.814 -2.657 1.00 1.12 H new ATOM 0 HA THR A 23 3.802 -4.450 -1.727 1.00 1.26 H new ATOM 0 HB THR A 23 3.998 -4.317 -4.485 1.00 1.33 H new ATOM 0 HG1 THR A 23 1.825 -4.825 -5.211 1.00 1.89 H new ATOM 0 HG21 THR A 23 3.186 -6.648 -4.453 1.00 1.63 H new ATOM 0 HG22 THR A 23 4.293 -6.321 -3.098 1.00 1.63 H new ATOM 0 HG23 THR A 23 2.537 -6.396 -2.816 1.00 1.63 H new ATOM 369 N HIS A 24 5.565 -2.845 -2.237 1.00 1.45 N ATOM 370 CA HIS A 24 6.634 -1.871 -2.376 1.00 1.54 C ATOM 371 C HIS A 24 7.885 -2.592 -2.866 1.00 1.61 C ATOM 372 O HIS A 24 8.741 -2.982 -2.071 1.00 1.63 O ATOM 373 CB HIS A 24 6.876 -1.161 -1.030 1.00 1.58 C ATOM 374 CG HIS A 24 8.129 -0.332 -0.958 1.00 1.68 C ATOM 375 ND1 HIS A 24 8.948 -0.319 0.151 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.701 0.511 -1.854 1.00 1.75 C ATOM 377 CE1 HIS A 24 9.968 0.493 -0.065 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.842 1.007 -1.274 1.00 1.86 N ATOM 0 H HIS A 24 5.837 -3.686 -1.729 1.00 1.45 H new ATOM 0 HA HIS A 24 6.363 -1.105 -3.103 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.022 -0.518 -0.818 1.00 1.58 H new ATOM 0 HB3 HIS A 24 6.912 -1.913 -0.242 1.00 1.58 H new ATOM 0 HD1 HIS A 24 8.791 -0.853 1.006 1.00 1.78 H new ATOM 0 HD2 HIS A 24 8.328 0.748 -2.840 1.00 1.75 H new ATOM 0 HE1 HIS A 24 10.768 0.701 0.630 1.00 1.88 H new ATOM 0 HE2 HIS A 24 10.488 1.666 -1.708 1.00 1.86 H new ATOM 387 N SER A 25 7.954 -2.791 -4.179 1.00 1.68 N ATOM 388 CA SER A 25 9.068 -3.486 -4.819 1.00 1.77 C ATOM 389 C SER A 25 9.045 -4.971 -4.445 1.00 1.80 C ATOM 390 O SER A 25 8.529 -5.799 -5.197 1.00 1.90 O ATOM 391 CB SER A 25 10.414 -2.843 -4.442 1.00 1.78 C ATOM 392 OG SER A 25 11.503 -3.517 -5.050 1.00 1.90 O ATOM 0 H SER A 25 7.237 -2.474 -4.832 1.00 1.68 H new ATOM 0 HA SER A 25 8.955 -3.398 -5.899 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.416 -1.797 -4.748 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.535 -2.859 -3.359 1.00 1.78 H new ATOM 0 HG SER A 25 12.285 -2.927 -5.066 1.00 1.90 H new ATOM 398 N ASN A 26 9.581 -5.297 -3.278 1.00 1.77 N ATOM 399 CA ASN A 26 9.608 -6.673 -2.804 1.00 1.82 C ATOM 400 C ASN A 26 8.837 -6.778 -1.491 1.00 1.75 C ATOM 401 O ASN A 26 8.482 -7.865 -1.039 1.00 1.87 O ATOM 402 CB ASN A 26 11.053 -7.146 -2.623 1.00 1.95 C ATOM 403 CG ASN A 26 11.153 -8.636 -2.356 1.00 2.06 C ATOM 404 OD1 ASN A 26 11.235 -9.069 -1.208 1.00 2.28 O ATOM 405 ND2 ASN A 26 11.142 -9.429 -3.417 1.00 2.32 N ATOM 0 H ASN A 26 10.005 -4.624 -2.639 1.00 1.77 H new ATOM 0 HA ASN A 26 9.132 -7.316 -3.544 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.625 -6.902 -3.518 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.508 -6.602 -1.796 1.00 1.95 H new ATOM 0 HD21 ASN A 26 11.203 -10.440 -3.299 1.00 2.32 H new ATOM 0 HD22 ASN A 26 11.073 -9.028 -4.352 1.00 2.32 H new ATOM 412 N GLU A 27 8.578 -5.627 -0.894 1.00 1.66 N ATOM 413 CA GLU A 27 7.844 -5.548 0.359 1.00 1.60 C ATOM 414 C GLU A 27 6.353 -5.765 0.112 1.00 1.47 C ATOM 415 O GLU A 27 5.788 -5.204 -0.826 1.00 1.48 O ATOM 416 CB GLU A 27 8.095 -4.185 1.005 1.00 1.63 C ATOM 417 CG GLU A 27 7.137 -3.831 2.128 1.00 1.89 C ATOM 418 CD GLU A 27 7.019 -2.334 2.320 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.069 -1.648 2.343 1.00 2.14 O ATOM 420 OE2 GLU A 27 5.884 -1.830 2.424 1.00 2.24 O ATOM 0 H GLU A 27 8.870 -4.722 -1.263 1.00 1.66 H new ATOM 0 HA GLU A 27 8.190 -6.330 1.035 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.113 -4.164 1.394 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.032 -3.416 0.235 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.153 -4.248 1.911 1.00 1.89 H new ATOM 0 HG3 GLU A 27 7.480 -4.290 3.055 1.00 1.89 H new ATOM 427 N ARG A 28 5.722 -6.578 0.949 1.00 1.44 N ATOM 428 CA ARG A 28 4.304 -6.869 0.807 1.00 1.33 C ATOM 429 C ARG A 28 3.597 -6.784 2.154 1.00 1.28 C ATOM 430 O ARG A 28 3.855 -7.582 3.053 1.00 1.36 O ATOM 431 CB ARG A 28 4.112 -8.261 0.192 1.00 1.41 C ATOM 432 CG ARG A 28 2.667 -8.598 -0.158 1.00 1.45 C ATOM 433 CD ARG A 28 2.010 -9.459 0.913 1.00 1.48 C ATOM 434 NE ARG A 28 0.788 -10.107 0.434 1.00 1.48 N ATOM 435 CZ ARG A 28 -0.434 -9.871 0.918 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.620 -8.961 1.862 1.00 1.47 N ATOM 437 NH2 ARG A 28 -1.474 -10.548 0.448 1.00 1.92 N ATOM 0 H ARG A 28 6.172 -7.048 1.735 1.00 1.44 H new ATOM 0 HA ARG A 28 3.863 -6.125 0.144 1.00 1.33 H new ATOM 0 HB2 ARG A 28 4.719 -8.333 -0.711 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.488 -9.009 0.890 1.00 1.41 H new ATOM 0 HG2 ARG A 28 2.099 -7.676 -0.282 1.00 1.45 H new ATOM 0 HG3 ARG A 28 2.637 -9.122 -1.114 1.00 1.45 H new ATOM 0 HD2 ARG A 28 2.715 -10.220 1.247 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.775 -8.841 1.779 1.00 1.48 H new ATOM 0 HE ARG A 28 0.876 -10.786 -0.322 1.00 1.48 H new ATOM 0 HH11 ARG A 28 0.174 -8.434 2.225 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -1.557 -8.788 2.226 1.00 1.47 H new ATOM 0 HH21 ARG A 28 -1.339 -11.248 -0.282 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -2.408 -10.369 0.817 1.00 1.92 H new ATOM 451 N TYR A 29 2.712 -5.813 2.288 1.00 1.17 N ATOM 452 CA TYR A 29 1.960 -5.625 3.516 1.00 1.13 C ATOM 453 C TYR A 29 0.476 -5.833 3.256 1.00 1.01 C ATOM 454 O TYR A 29 0.015 -5.703 2.120 1.00 1.00 O ATOM 455 CB TYR A 29 2.203 -4.227 4.089 1.00 1.13 C ATOM 456 CG TYR A 29 2.983 -4.230 5.385 1.00 1.30 C ATOM 457 CD1 TYR A 29 2.340 -4.402 6.602 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.362 -4.063 5.387 1.00 1.60 C ATOM 459 CE1 TYR A 29 3.047 -4.407 7.787 1.00 1.82 C ATOM 460 CE2 TYR A 29 5.075 -4.067 6.569 1.00 1.88 C ATOM 461 CZ TYR A 29 4.415 -4.239 7.764 1.00 1.91 C ATOM 462 OH TYR A 29 5.123 -4.247 8.943 1.00 2.29 O ATOM 0 H TYR A 29 2.495 -5.137 1.555 1.00 1.17 H new ATOM 0 HA TYR A 29 2.300 -6.360 4.245 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.741 -3.630 3.352 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.242 -3.739 4.254 1.00 1.13 H new ATOM 0 HD1 TYR A 29 1.268 -4.534 6.622 1.00 1.52 H new ATOM 0 HD2 TYR A 29 4.883 -3.928 4.451 1.00 1.60 H new ATOM 0 HE1 TYR A 29 2.532 -4.542 8.727 1.00 1.82 H new ATOM 0 HE2 TYR A 29 6.147 -3.936 6.556 1.00 1.88 H new ATOM 0 HH TYR A 29 6.076 -4.117 8.753 1.00 2.29 H new ATOM 472 N ASP A 30 -0.263 -6.170 4.299 1.00 0.98 N ATOM 473 CA ASP A 30 -1.697 -6.396 4.179 1.00 0.90 C ATOM 474 C ASP A 30 -2.455 -5.388 5.024 1.00 0.84 C ATOM 475 O ASP A 30 -2.295 -5.346 6.244 1.00 0.96 O ATOM 476 CB ASP A 30 -2.053 -7.816 4.616 1.00 0.97 C ATOM 477 CG ASP A 30 -3.259 -8.361 3.882 1.00 1.07 C ATOM 478 OD1 ASP A 30 -3.122 -8.719 2.690 1.00 1.28 O ATOM 479 OD2 ASP A 30 -4.344 -8.455 4.492 1.00 1.34 O ATOM 0 H ASP A 30 0.106 -6.294 5.242 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.982 -6.271 3.134 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -1.199 -8.471 4.443 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -2.249 -7.825 5.688 1.00 0.97 H new ATOM 484 N LEU A 31 -3.272 -4.572 4.379 1.00 0.71 N ATOM 485 CA LEU A 31 -4.038 -3.555 5.087 1.00 0.66 C ATOM 486 C LEU A 31 -5.528 -3.719 4.830 1.00 0.58 C ATOM 487 O LEU A 31 -5.938 -4.227 3.787 1.00 0.59 O ATOM 488 CB LEU A 31 -3.577 -2.154 4.663 1.00 0.66 C ATOM 489 CG LEU A 31 -3.278 -1.173 5.807 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.561 -0.559 6.347 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.507 -1.860 6.927 1.00 0.98 C ATOM 0 H LEU A 31 -3.423 -4.592 3.370 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.862 -3.678 6.156 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.679 -2.257 4.054 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -4.346 -1.716 4.026 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.657 -0.373 5.404 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -4.322 0.131 7.156 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -5.071 -0.020 5.548 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -5.211 -1.348 6.724 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -2.308 -1.144 7.724 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -3.098 -2.687 7.321 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.563 -2.241 6.538 1.00 0.98 H new ATOM 503 N LEU A 32 -6.328 -3.293 5.792 1.00 0.55 N ATOM 504 CA LEU A 32 -7.772 -3.381 5.686 1.00 0.52 C ATOM 505 C LEU A 32 -8.321 -2.170 4.942 1.00 0.43 C ATOM 506 O LEU A 32 -7.794 -1.066 5.071 1.00 0.43 O ATOM 507 CB LEU A 32 -8.392 -3.465 7.082 1.00 0.60 C ATOM 508 CG LEU A 32 -9.917 -3.364 7.126 1.00 0.73 C ATOM 509 CD1 LEU A 32 -10.540 -4.734 7.333 1.00 0.94 C ATOM 510 CD2 LEU A 32 -10.351 -2.402 8.219 1.00 0.85 C ATOM 0 H LEU A 32 -5.996 -2.879 6.663 1.00 0.55 H new ATOM 0 HA LEU A 32 -8.030 -4.281 5.127 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -8.093 -4.409 7.538 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.973 -2.668 7.696 1.00 0.60 H new ATOM 0 HG LEU A 32 -10.266 -2.977 6.169 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -11.626 -4.640 7.361 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -10.254 -5.391 6.512 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -10.188 -5.155 8.275 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -11.439 -2.340 8.238 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.991 -2.760 9.183 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.935 -1.414 8.021 1.00 0.85 H new ATOM 522 N VAL A 33 -9.371 -2.388 4.158 1.00 0.41 N ATOM 523 CA VAL A 33 -9.997 -1.311 3.401 1.00 0.36 C ATOM 524 C VAL A 33 -10.662 -0.314 4.345 1.00 0.41 C ATOM 525 O VAL A 33 -11.341 -0.707 5.300 1.00 0.51 O ATOM 526 CB VAL A 33 -11.032 -1.862 2.393 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.948 -0.763 1.873 1.00 0.49 C ATOM 528 CG2 VAL A 33 -10.319 -2.543 1.239 1.00 0.56 C ATOM 0 H VAL A 33 -9.807 -3.301 4.030 1.00 0.41 H new ATOM 0 HA VAL A 33 -9.215 -0.800 2.839 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.654 -2.590 2.914 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.662 -1.188 1.167 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.486 -0.313 2.707 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.353 0.000 1.372 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -11.055 -2.928 0.533 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.674 -1.824 0.734 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.715 -3.367 1.620 1.00 0.56 H new ATOM 538 N THR A 34 -10.458 0.966 4.066 1.00 0.39 N ATOM 539 CA THR A 34 -11.003 2.038 4.885 1.00 0.48 C ATOM 540 C THR A 34 -12.532 2.099 4.799 1.00 0.59 C ATOM 541 O THR A 34 -13.094 2.384 3.743 1.00 0.65 O ATOM 542 CB THR A 34 -10.416 3.397 4.459 1.00 0.51 C ATOM 543 OG1 THR A 34 -9.066 3.226 4.001 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.435 4.386 5.616 1.00 0.64 C ATOM 0 H THR A 34 -9.912 1.289 3.268 1.00 0.39 H new ATOM 0 HA THR A 34 -10.724 1.825 5.917 1.00 0.48 H new ATOM 0 HB THR A 34 -11.031 3.793 3.651 1.00 0.51 H new ATOM 0 HG1 THR A 34 -9.073 2.873 3.087 1.00 0.49 H new ATOM 0 HG21 THR A 34 -10.015 5.337 5.289 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.462 4.538 5.948 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.841 3.992 6.441 1.00 0.64 H new ATOM 552 N PRO A 35 -13.223 1.837 5.924 1.00 0.73 N ATOM 553 CA PRO A 35 -14.684 1.855 5.982 1.00 0.89 C ATOM 554 C PRO A 35 -15.243 3.268 6.162 1.00 0.93 C ATOM 555 O PRO A 35 -14.612 4.248 5.755 1.00 0.93 O ATOM 556 CB PRO A 35 -14.972 0.996 7.212 1.00 1.07 C ATOM 557 CG PRO A 35 -13.816 1.249 8.121 1.00 1.07 C ATOM 558 CD PRO A 35 -12.626 1.506 7.234 1.00 0.82 C ATOM 0 HA PRO A 35 -15.147 1.492 5.064 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.915 1.277 7.681 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -15.048 -0.059 6.950 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -14.010 2.105 8.768 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.638 0.392 8.771 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -12.015 2.325 7.613 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.980 0.630 7.169 1.00 0.82 H new ATOM 566 N GLN A 36 -16.433 3.354 6.761 1.00 1.02 N ATOM 567 CA GLN A 36 -17.106 4.626 7.022 1.00 1.13 C ATOM 568 C GLN A 36 -17.618 5.247 5.730 1.00 1.16 C ATOM 569 O GLN A 36 -17.653 6.468 5.582 1.00 1.24 O ATOM 570 CB GLN A 36 -16.192 5.609 7.767 1.00 1.16 C ATOM 571 CG GLN A 36 -16.260 5.472 9.282 1.00 1.38 C ATOM 572 CD GLN A 36 -15.334 6.432 10.003 1.00 1.95 C ATOM 573 OE1 GLN A 36 -15.023 7.512 9.501 1.00 2.47 O ATOM 574 NE2 GLN A 36 -14.891 6.047 11.191 1.00 2.33 N ATOM 0 H GLN A 36 -16.958 2.539 7.079 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.960 4.414 7.665 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.163 5.454 7.442 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.464 6.627 7.490 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -17.284 5.646 9.612 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -16.005 4.450 9.561 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -15.172 5.144 11.572 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -14.269 6.654 11.724 1.00 2.33 H new ATOM 583 N GLN A 37 -18.039 4.395 4.801 1.00 1.15 N ATOM 584 CA GLN A 37 -18.563 4.862 3.526 1.00 1.23 C ATOM 585 C GLN A 37 -19.712 3.968 3.070 1.00 1.30 C ATOM 586 O GLN A 37 -20.868 4.212 3.421 1.00 1.64 O ATOM 587 CB GLN A 37 -17.459 4.922 2.463 1.00 1.16 C ATOM 588 CG GLN A 37 -17.525 6.160 1.572 1.00 1.33 C ATOM 589 CD GLN A 37 -18.807 6.251 0.767 1.00 1.52 C ATOM 590 OE1 GLN A 37 -18.902 5.724 -0.342 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.799 6.933 1.318 1.00 1.82 N ATOM 0 H GLN A 37 -18.027 3.381 4.908 1.00 1.15 H new ATOM 0 HA GLN A 37 -18.944 5.874 3.661 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.489 4.895 2.959 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -17.522 4.032 1.837 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.429 7.051 2.192 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.675 6.154 0.890 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.679 7.354 2.239 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.684 7.037 0.821 1.00 1.82 H new ATOM 600 N GLY A 38 -19.400 2.923 2.319 1.00 1.14 N ATOM 601 CA GLY A 38 -20.431 2.033 1.842 1.00 1.21 C ATOM 602 C GLY A 38 -19.940 0.614 1.681 1.00 1.14 C ATOM 603 O GLY A 38 -20.004 0.065 0.584 1.00 1.17 O ATOM 0 H GLY A 38 -18.452 2.678 2.033 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.270 2.047 2.538 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.805 2.396 0.885 1.00 1.21 H new ATOM 607 N ASN A 39 -19.453 0.035 2.788 1.00 1.13 N ATOM 608 CA ASN A 39 -18.936 -1.349 2.852 1.00 1.11 C ATOM 609 C ASN A 39 -17.992 -1.694 1.692 1.00 0.97 C ATOM 610 O ASN A 39 -16.778 -1.576 1.829 1.00 0.89 O ATOM 611 CB ASN A 39 -20.073 -2.398 2.986 1.00 1.30 C ATOM 612 CG ASN A 39 -21.208 -2.243 1.983 1.00 1.40 C ATOM 613 OD1 ASN A 39 -21.148 -2.770 0.870 1.00 1.84 O ATOM 614 ND2 ASN A 39 -22.260 -1.540 2.378 1.00 1.70 N ATOM 0 H ASN A 39 -19.404 0.521 3.684 1.00 1.13 H new ATOM 0 HA ASN A 39 -18.339 -1.394 3.763 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -19.644 -3.394 2.876 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -20.486 -2.338 3.993 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -23.057 -1.420 1.753 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -22.272 -1.119 3.307 1.00 1.70 H new ATOM 621 N SER A 40 -18.544 -2.123 0.563 1.00 1.02 N ATOM 622 CA SER A 40 -17.749 -2.480 -0.602 1.00 0.95 C ATOM 623 C SER A 40 -17.069 -1.245 -1.201 1.00 0.87 C ATOM 624 O SER A 40 -16.011 -1.346 -1.823 1.00 0.82 O ATOM 625 CB SER A 40 -18.641 -3.153 -1.648 1.00 1.07 C ATOM 626 OG SER A 40 -19.507 -4.107 -1.045 1.00 1.30 O ATOM 0 H SER A 40 -19.550 -2.232 0.431 1.00 1.02 H new ATOM 0 HA SER A 40 -16.970 -3.176 -0.291 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.232 -2.398 -2.167 1.00 1.07 H new ATOM 0 HB3 SER A 40 -18.021 -3.643 -2.398 1.00 1.07 H new ATOM 0 HG SER A 40 -20.180 -3.643 -0.505 1.00 1.30 H new ATOM 632 N GLU A 41 -17.692 -0.088 -1.014 1.00 0.92 N ATOM 633 CA GLU A 41 -17.153 1.172 -1.515 1.00 0.88 C ATOM 634 C GLU A 41 -16.551 1.972 -0.362 1.00 0.81 C ATOM 635 O GLU A 41 -17.272 2.428 0.528 1.00 0.90 O ATOM 636 CB GLU A 41 -18.249 1.986 -2.214 1.00 1.02 C ATOM 637 CG GLU A 41 -18.610 1.461 -3.596 1.00 1.34 C ATOM 638 CD GLU A 41 -19.828 2.145 -4.188 1.00 1.49 C ATOM 639 OE1 GLU A 41 -19.681 3.243 -4.768 1.00 1.73 O ATOM 640 OE2 GLU A 41 -20.942 1.585 -4.078 1.00 1.83 O ATOM 0 H GLU A 41 -18.577 0.005 -0.516 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.371 0.955 -2.243 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.143 1.987 -1.590 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -17.920 3.022 -2.302 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -17.761 1.600 -4.265 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -18.796 0.389 -3.535 1.00 1.34 H new ATOM 647 N PRO A 42 -15.218 2.118 -0.347 1.00 0.69 N ATOM 648 CA PRO A 42 -14.510 2.855 0.697 1.00 0.67 C ATOM 649 C PRO A 42 -14.446 4.359 0.429 1.00 0.69 C ATOM 650 O PRO A 42 -14.909 4.838 -0.610 1.00 0.77 O ATOM 651 CB PRO A 42 -13.113 2.251 0.645 1.00 0.60 C ATOM 652 CG PRO A 42 -12.920 1.840 -0.773 1.00 0.62 C ATOM 653 CD PRO A 42 -14.290 1.558 -1.344 1.00 0.64 C ATOM 0 HA PRO A 42 -15.006 2.769 1.664 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.359 2.976 0.951 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -13.027 1.398 1.318 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.422 2.628 -1.338 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.287 0.955 -0.835 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.420 2.029 -2.318 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.452 0.489 -1.483 1.00 0.64 H new ATOM 661 N VAL A 43 -13.857 5.096 1.367 1.00 0.67 N ATOM 662 CA VAL A 43 -13.726 6.544 1.244 1.00 0.72 C ATOM 663 C VAL A 43 -12.653 6.912 0.224 1.00 0.65 C ATOM 664 O VAL A 43 -11.897 6.057 -0.227 1.00 0.58 O ATOM 665 CB VAL A 43 -13.382 7.209 2.595 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.538 7.073 3.573 1.00 0.90 C ATOM 667 CG2 VAL A 43 -12.110 6.615 3.183 1.00 0.67 C ATOM 0 H VAL A 43 -13.461 4.711 2.225 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.694 6.915 0.908 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.210 8.270 2.414 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.273 7.548 4.517 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.423 7.556 3.159 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.747 6.017 3.744 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.888 7.099 4.134 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.248 5.546 3.344 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.281 6.774 2.493 1.00 0.67 H new ATOM 677 N VAL A 44 -12.571 8.190 -0.124 1.00 0.72 N ATOM 678 CA VAL A 44 -11.584 8.645 -1.099 1.00 0.71 C ATOM 679 C VAL A 44 -10.174 8.633 -0.514 1.00 0.66 C ATOM 680 O VAL A 44 -9.194 8.504 -1.246 1.00 0.68 O ATOM 681 CB VAL A 44 -11.904 10.051 -1.642 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.012 9.984 -2.679 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.286 10.999 -0.516 1.00 0.98 C ATOM 0 H VAL A 44 -13.170 8.926 0.250 1.00 0.72 H new ATOM 0 HA VAL A 44 -11.631 7.940 -1.929 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.004 10.439 -2.120 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.224 10.987 -3.051 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -12.697 9.349 -3.507 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -13.911 9.568 -2.224 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -12.506 11.984 -0.928 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.167 10.616 -0.001 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -11.459 11.078 0.189 1.00 0.98 H new ATOM 693 N GLN A 45 -10.080 8.755 0.807 1.00 0.66 N ATOM 694 CA GLN A 45 -8.789 8.750 1.493 1.00 0.65 C ATOM 695 C GLN A 45 -8.257 7.328 1.642 1.00 0.57 C ATOM 696 O GLN A 45 -7.129 7.121 2.088 1.00 0.62 O ATOM 697 CB GLN A 45 -8.910 9.398 2.878 1.00 0.74 C ATOM 698 CG GLN A 45 -9.230 10.884 2.841 1.00 1.07 C ATOM 699 CD GLN A 45 -10.712 11.174 2.986 1.00 1.44 C ATOM 700 OE1 GLN A 45 -11.561 10.347 2.649 1.00 1.88 O ATOM 701 NE2 GLN A 45 -11.036 12.357 3.485 1.00 1.94 N ATOM 0 H GLN A 45 -10.884 8.859 1.426 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.090 9.327 0.887 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.688 8.883 3.442 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -7.975 9.252 3.419 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -8.687 11.387 3.641 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -8.873 11.304 1.900 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -10.304 13.015 3.753 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -12.017 12.610 3.602 1.00 1.94 H new ATOM 710 N ASP A 46 -9.074 6.356 1.252 1.00 0.49 N ATOM 711 CA ASP A 46 -8.709 4.943 1.346 1.00 0.42 C ATOM 712 C ASP A 46 -7.410 4.645 0.607 1.00 0.41 C ATOM 713 O ASP A 46 -6.502 4.028 1.159 1.00 0.46 O ATOM 714 CB ASP A 46 -9.829 4.072 0.772 1.00 0.38 C ATOM 715 CG ASP A 46 -9.387 2.642 0.540 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.398 1.855 1.513 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.021 2.308 -0.616 1.00 0.31 O ATOM 0 H ASP A 46 -10.003 6.521 0.864 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.562 4.713 2.401 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.678 4.081 1.455 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.173 4.501 -0.169 1.00 0.38 H new ATOM 722 N LEU A 47 -7.318 5.117 -0.633 1.00 0.46 N ATOM 723 CA LEU A 47 -6.137 4.891 -1.464 1.00 0.54 C ATOM 724 C LEU A 47 -4.853 5.355 -0.770 1.00 0.56 C ATOM 725 O LEU A 47 -3.773 4.829 -1.030 1.00 0.65 O ATOM 726 CB LEU A 47 -6.303 5.599 -2.813 1.00 0.66 C ATOM 727 CG LEU A 47 -6.658 7.088 -2.737 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.403 7.942 -2.744 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.568 7.479 -3.887 1.00 1.00 C ATOM 0 H LEU A 47 -8.051 5.661 -1.087 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.046 3.817 -1.629 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.376 5.493 -3.376 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.080 5.086 -3.379 1.00 0.66 H new ATOM 0 HG LEU A 47 -7.187 7.263 -1.800 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.679 8.995 -2.689 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.783 7.684 -1.885 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -4.845 7.761 -3.662 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.809 8.540 -3.816 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -7.063 7.284 -4.833 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -8.487 6.894 -3.839 1.00 1.00 H new ATOM 741 N ALA A 48 -4.981 6.330 0.113 1.00 0.58 N ATOM 742 CA ALA A 48 -3.837 6.857 0.836 1.00 0.69 C ATOM 743 C ALA A 48 -3.635 6.115 2.154 1.00 0.67 C ATOM 744 O ALA A 48 -2.513 5.751 2.507 1.00 0.76 O ATOM 745 CB ALA A 48 -4.018 8.345 1.082 1.00 0.83 C ATOM 0 H ALA A 48 -5.869 6.774 0.347 1.00 0.58 H new ATOM 0 HA ALA A 48 -2.945 6.707 0.228 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.155 8.732 1.625 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.108 8.863 0.127 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -4.920 8.509 1.671 1.00 0.83 H new ATOM 751 N GLN A 49 -4.735 5.876 2.861 1.00 0.60 N ATOM 752 CA GLN A 49 -4.697 5.191 4.149 1.00 0.62 C ATOM 753 C GLN A 49 -4.169 3.771 4.016 1.00 0.59 C ATOM 754 O GLN A 49 -3.454 3.290 4.894 1.00 0.66 O ATOM 755 CB GLN A 49 -6.089 5.175 4.789 1.00 0.62 C ATOM 756 CG GLN A 49 -6.540 6.533 5.305 1.00 0.95 C ATOM 757 CD GLN A 49 -5.373 7.430 5.665 1.00 1.27 C ATOM 758 OE1 GLN A 49 -4.919 8.230 4.849 1.00 1.86 O ATOM 759 NE2 GLN A 49 -4.871 7.290 6.881 1.00 1.43 N ATOM 0 H GLN A 49 -5.671 6.149 2.561 1.00 0.60 H new ATOM 0 HA GLN A 49 -4.013 5.744 4.792 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.812 4.816 4.056 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.092 4.463 5.615 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -7.151 7.023 4.546 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -7.172 6.394 6.182 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -5.279 6.614 7.526 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -4.076 7.858 7.173 1.00 1.43 H new ATOM 768 N LEU A 50 -4.518 3.112 2.917 1.00 0.52 N ATOM 769 CA LEU A 50 -4.079 1.743 2.661 1.00 0.53 C ATOM 770 C LEU A 50 -2.560 1.627 2.712 1.00 0.65 C ATOM 771 O LEU A 50 -2.018 0.634 3.194 1.00 0.72 O ATOM 772 CB LEU A 50 -4.574 1.273 1.291 1.00 0.46 C ATOM 773 CG LEU A 50 -6.085 1.072 1.170 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.439 0.522 -0.199 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.593 0.150 2.264 1.00 0.40 C ATOM 0 H LEU A 50 -5.108 3.506 2.184 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.503 1.112 3.442 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.261 2.000 0.542 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -4.079 0.332 1.049 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.571 2.041 1.289 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.518 0.385 -0.268 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.112 1.222 -0.968 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.941 -0.437 -0.346 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.670 0.020 2.160 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.101 -0.819 2.181 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.373 0.586 3.239 1.00 0.40 H new ATOM 787 N VAL A 51 -1.874 2.647 2.219 1.00 0.70 N ATOM 788 CA VAL A 51 -0.421 2.639 2.197 1.00 0.84 C ATOM 789 C VAL A 51 0.157 3.264 3.464 1.00 0.90 C ATOM 790 O VAL A 51 1.121 2.743 4.037 1.00 1.01 O ATOM 791 CB VAL A 51 0.127 3.381 0.960 1.00 0.90 C ATOM 792 CG1 VAL A 51 1.567 2.982 0.689 1.00 1.56 C ATOM 793 CG2 VAL A 51 -0.741 3.107 -0.258 1.00 1.37 C ATOM 0 H VAL A 51 -2.300 3.488 1.830 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.111 1.595 2.146 1.00 0.84 H new ATOM 0 HB VAL A 51 0.101 4.451 1.166 1.00 0.90 H new ATOM 0 HG11 VAL A 51 1.934 3.517 -0.187 1.00 1.56 H new ATOM 0 HG12 VAL A 51 2.183 3.234 1.552 1.00 1.56 H new ATOM 0 HG13 VAL A 51 1.619 1.909 0.507 1.00 1.56 H new ATOM 0 HG21 VAL A 51 -0.338 3.639 -1.119 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -0.751 2.037 -0.465 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -1.758 3.448 -0.064 1.00 1.37 H new ATOM 803 N GLU A 52 -0.446 4.365 3.908 1.00 0.86 N ATOM 804 CA GLU A 52 0.011 5.068 5.101 1.00 0.93 C ATOM 805 C GLU A 52 -0.058 4.170 6.334 1.00 0.95 C ATOM 806 O GLU A 52 0.943 3.970 7.024 1.00 1.07 O ATOM 807 CB GLU A 52 -0.819 6.343 5.325 1.00 0.91 C ATOM 808 CG GLU A 52 -0.485 7.073 6.620 1.00 1.13 C ATOM 809 CD GLU A 52 -1.193 8.410 6.756 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.412 8.419 7.020 1.00 1.37 O ATOM 811 OE2 GLU A 52 -0.523 9.459 6.626 1.00 1.40 O ATOM 0 H GLU A 52 -1.256 4.790 3.456 1.00 0.86 H new ATOM 0 HA GLU A 52 1.053 5.348 4.944 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.661 7.020 4.486 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.877 6.081 5.329 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.754 6.440 7.466 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.592 7.233 6.671 1.00 1.13 H new ATOM 818 N GLU A 53 -1.224 3.586 6.573 1.00 0.86 N ATOM 819 CA GLU A 53 -1.438 2.727 7.733 1.00 0.89 C ATOM 820 C GLU A 53 -0.739 1.380 7.594 1.00 0.93 C ATOM 821 O GLU A 53 -0.754 0.569 8.519 1.00 1.01 O ATOM 822 CB GLU A 53 -2.933 2.506 7.943 1.00 0.85 C ATOM 823 CG GLU A 53 -3.663 3.734 8.450 1.00 1.33 C ATOM 824 CD GLU A 53 -4.349 3.476 9.770 1.00 1.45 C ATOM 825 OE1 GLU A 53 -3.664 3.081 10.735 1.00 1.81 O ATOM 826 OE2 GLU A 53 -5.576 3.670 9.851 1.00 1.99 O ATOM 0 H GLU A 53 -2.043 3.692 5.975 1.00 0.86 H new ATOM 0 HA GLU A 53 -1.006 3.234 8.596 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -3.381 2.191 7.001 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -3.075 1.691 8.652 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -2.956 4.556 8.563 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -4.401 4.048 7.712 1.00 1.33 H new ATOM 833 N ALA A 54 -0.117 1.146 6.451 1.00 0.93 N ATOM 834 CA ALA A 54 0.568 -0.113 6.208 1.00 1.00 C ATOM 835 C ALA A 54 1.960 -0.135 6.831 1.00 1.15 C ATOM 836 O ALA A 54 2.608 -1.179 6.862 1.00 1.28 O ATOM 837 CB ALA A 54 0.662 -0.386 4.715 1.00 1.06 C ATOM 0 H ALA A 54 -0.072 1.810 5.678 1.00 0.93 H new ATOM 0 HA ALA A 54 -0.020 -0.898 6.683 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.177 -1.332 4.550 1.00 1.06 H new ATOM 0 HB2 ALA A 54 -0.341 -0.440 4.291 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.217 0.418 4.232 1.00 1.06 H new ATOM 843 N THR A 55 2.420 1.011 7.329 1.00 1.21 N ATOM 844 CA THR A 55 3.750 1.087 7.934 1.00 1.38 C ATOM 845 C THR A 55 3.935 2.348 8.775 1.00 1.40 C ATOM 846 O THR A 55 4.763 2.373 9.686 1.00 1.55 O ATOM 847 CB THR A 55 4.853 1.059 6.856 1.00 1.60 C ATOM 848 OG1 THR A 55 4.276 1.273 5.557 1.00 1.81 O ATOM 849 CG2 THR A 55 5.605 -0.263 6.874 1.00 1.77 C ATOM 0 H THR A 55 1.901 1.889 7.327 1.00 1.21 H new ATOM 0 HA THR A 55 3.834 0.215 8.582 1.00 1.38 H new ATOM 0 HB THR A 55 5.561 1.858 7.076 1.00 1.60 H new ATOM 0 HG1 THR A 55 3.612 1.992 5.609 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.376 -0.254 6.104 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.069 -0.404 7.850 1.00 1.77 H new ATOM 0 HG23 THR A 55 4.910 -1.080 6.681 1.00 1.77 H new ATOM 857 N GLY A 56 3.161 3.383 8.478 1.00 1.30 N ATOM 858 CA GLY A 56 3.290 4.634 9.197 1.00 1.34 C ATOM 859 C GLY A 56 4.110 5.623 8.401 1.00 1.42 C ATOM 860 O GLY A 56 4.953 6.336 8.944 1.00 1.55 O ATOM 0 H GLY A 56 2.445 3.378 7.751 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.302 5.049 9.396 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.762 4.457 10.164 1.00 1.34 H new ATOM 864 N VAL A 57 3.863 5.651 7.100 1.00 1.37 N ATOM 865 CA VAL A 57 4.579 6.535 6.195 1.00 1.46 C ATOM 866 C VAL A 57 3.704 7.719 5.815 1.00 1.37 C ATOM 867 O VAL A 57 2.526 7.543 5.510 1.00 1.26 O ATOM 868 CB VAL A 57 5.003 5.791 4.905 1.00 1.55 C ATOM 869 CG1 VAL A 57 6.148 6.512 4.208 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.382 4.348 5.208 1.00 1.63 C ATOM 0 H VAL A 57 3.164 5.064 6.644 1.00 1.37 H new ATOM 0 HA VAL A 57 5.472 6.884 6.713 1.00 1.46 H new ATOM 0 HB VAL A 57 4.147 5.784 4.230 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.425 5.967 3.305 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.834 7.521 3.941 1.00 1.70 H new ATOM 0 HG13 VAL A 57 7.006 6.565 4.878 1.00 1.70 H new ATOM 0 HG21 VAL A 57 5.676 3.848 4.285 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.215 4.330 5.911 1.00 1.63 H new ATOM 0 HG23 VAL A 57 4.527 3.831 5.645 1.00 1.63 H new ATOM 880 N PRO A 58 4.253 8.942 5.863 1.00 1.45 N ATOM 881 CA PRO A 58 3.512 10.149 5.488 1.00 1.41 C ATOM 882 C PRO A 58 3.101 10.129 4.013 1.00 1.35 C ATOM 883 O PRO A 58 3.807 9.570 3.173 1.00 1.39 O ATOM 884 CB PRO A 58 4.496 11.291 5.764 1.00 1.56 C ATOM 885 CG PRO A 58 5.841 10.653 5.834 1.00 1.67 C ATOM 886 CD PRO A 58 5.618 9.249 6.321 1.00 1.63 C ATOM 0 HA PRO A 58 2.581 10.246 6.046 1.00 1.41 H new ATOM 0 HB2 PRO A 58 4.458 12.040 4.973 1.00 1.56 H new ATOM 0 HB3 PRO A 58 4.254 11.800 6.697 1.00 1.56 H new ATOM 0 HG2 PRO A 58 6.323 10.653 4.856 1.00 1.67 H new ATOM 0 HG3 PRO A 58 6.496 11.200 6.512 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.348 8.557 5.901 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.703 9.182 7.406 1.00 1.63 H new ATOM 894 N LEU A 59 1.967 10.758 3.709 1.00 1.29 N ATOM 895 CA LEU A 59 1.434 10.798 2.344 1.00 1.26 C ATOM 896 C LEU A 59 2.465 11.253 1.297 1.00 1.34 C ATOM 897 O LEU A 59 2.645 10.567 0.292 1.00 1.35 O ATOM 898 CB LEU A 59 0.185 11.684 2.270 1.00 1.25 C ATOM 899 CG LEU A 59 -0.966 11.275 3.194 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.185 12.155 2.952 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.320 9.808 2.994 1.00 1.54 C ATOM 0 H LEU A 59 1.394 11.251 4.394 1.00 1.29 H new ATOM 0 HA LEU A 59 1.168 9.770 2.098 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.472 12.708 2.507 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.179 11.685 1.243 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.641 11.412 4.225 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -2.992 11.849 3.618 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -1.927 13.196 3.148 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.509 12.051 1.917 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.140 9.538 3.660 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.623 9.645 1.960 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.451 9.190 3.219 1.00 1.54 H new ATOM 913 N PRO A 60 3.174 12.390 1.499 1.00 1.42 N ATOM 914 CA PRO A 60 4.156 12.887 0.519 1.00 1.52 C ATOM 915 C PRO A 60 5.419 12.025 0.406 1.00 1.60 C ATOM 916 O PRO A 60 6.377 12.405 -0.270 1.00 1.79 O ATOM 917 CB PRO A 60 4.524 14.286 1.043 1.00 1.61 C ATOM 918 CG PRO A 60 3.486 14.613 2.061 1.00 1.56 C ATOM 919 CD PRO A 60 3.085 13.299 2.656 1.00 1.46 C ATOM 0 HA PRO A 60 3.729 12.876 -0.484 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.521 14.291 1.483 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.528 15.019 0.236 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.881 15.285 2.823 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.633 15.115 1.605 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.753 12.997 3.463 1.00 1.46 H new ATOM 0 HD3 PRO A 60 2.078 13.331 3.071 1.00 1.46 H new ATOM 927 N PHE A 61 5.431 10.872 1.064 1.00 1.55 N ATOM 928 CA PHE A 61 6.589 9.987 1.017 1.00 1.63 C ATOM 929 C PHE A 61 6.273 8.692 0.281 1.00 1.59 C ATOM 930 O PHE A 61 7.172 7.902 -0.010 1.00 1.70 O ATOM 931 CB PHE A 61 7.080 9.675 2.432 1.00 1.66 C ATOM 932 CG PHE A 61 8.073 10.675 2.959 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.699 11.987 3.203 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.384 10.300 3.209 1.00 2.00 C ATOM 935 CE1 PHE A 61 8.615 12.903 3.685 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.301 11.211 3.691 1.00 2.25 C ATOM 937 CZ PHE A 61 9.917 12.515 3.930 1.00 2.34 C ATOM 0 H PHE A 61 4.657 10.529 1.633 1.00 1.55 H new ATOM 0 HA PHE A 61 7.376 10.505 0.469 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.223 9.637 3.105 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.535 8.685 2.440 1.00 1.66 H new ATOM 0 HD1 PHE A 61 6.682 12.297 3.015 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.691 9.281 3.024 1.00 2.00 H new ATOM 0 HE1 PHE A 61 8.312 13.923 3.870 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.319 10.904 3.881 1.00 2.25 H new ATOM 0 HZ PHE A 61 10.633 13.230 4.308 1.00 2.34 H new ATOM 947 N GLN A 62 5.000 8.472 -0.024 1.00 1.47 N ATOM 948 CA GLN A 62 4.595 7.264 -0.729 1.00 1.44 C ATOM 949 C GLN A 62 3.793 7.610 -1.982 1.00 1.40 C ATOM 950 O GLN A 62 2.638 8.034 -1.909 1.00 1.55 O ATOM 951 CB GLN A 62 3.805 6.332 0.202 1.00 1.38 C ATOM 952 CG GLN A 62 2.550 6.952 0.798 1.00 1.35 C ATOM 953 CD GLN A 62 2.266 6.467 2.207 1.00 1.64 C ATOM 954 OE1 GLN A 62 2.657 5.365 2.594 1.00 2.14 O ATOM 955 NE2 GLN A 62 1.574 7.285 2.979 1.00 1.66 N ATOM 0 H GLN A 62 4.237 9.109 0.204 1.00 1.47 H new ATOM 0 HA GLN A 62 5.493 6.734 -1.047 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.524 5.437 -0.353 1.00 1.38 H new ATOM 0 HB3 GLN A 62 4.458 6.012 1.014 1.00 1.38 H new ATOM 0 HG2 GLN A 62 2.655 8.037 0.807 1.00 1.35 H new ATOM 0 HG3 GLN A 62 1.697 6.719 0.160 1.00 1.35 H new ATOM 0 HE21 GLN A 62 1.269 8.190 2.620 1.00 1.66 H new ATOM 0 HE22 GLN A 62 1.345 7.012 3.935 1.00 1.66 H new ATOM 964 N LYS A 63 4.424 7.444 -3.135 1.00 1.42 N ATOM 965 CA LYS A 63 3.780 7.736 -4.405 1.00 1.38 C ATOM 966 C LYS A 63 2.839 6.601 -4.793 1.00 1.27 C ATOM 967 O LYS A 63 3.174 5.753 -5.620 1.00 1.31 O ATOM 968 CB LYS A 63 4.828 7.957 -5.497 1.00 1.51 C ATOM 969 CG LYS A 63 4.329 8.790 -6.664 1.00 1.64 C ATOM 970 CD LYS A 63 5.467 9.166 -7.600 1.00 1.73 C ATOM 971 CE LYS A 63 5.048 10.250 -8.583 1.00 1.94 C ATOM 972 NZ LYS A 63 4.812 11.560 -7.917 1.00 2.29 N ATOM 0 H LYS A 63 5.384 7.108 -3.216 1.00 1.42 H new ATOM 0 HA LYS A 63 3.197 8.650 -4.297 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.698 8.446 -5.059 1.00 1.51 H new ATOM 0 HB3 LYS A 63 5.161 6.988 -5.870 1.00 1.51 H new ATOM 0 HG2 LYS A 63 3.572 8.232 -7.215 1.00 1.64 H new ATOM 0 HG3 LYS A 63 3.849 9.694 -6.289 1.00 1.64 H new ATOM 0 HD2 LYS A 63 6.320 9.513 -7.016 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.795 8.283 -8.149 1.00 1.73 H new ATOM 0 HE2 LYS A 63 5.821 10.366 -9.343 1.00 1.94 H new ATOM 0 HE3 LYS A 63 4.139 9.938 -9.098 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 4.797 12.315 -8.632 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 3.899 11.537 -7.419 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 5.574 11.745 -7.234 1.00 2.29 H new ATOM 986 N LEU A 64 1.679 6.575 -4.152 1.00 1.16 N ATOM 987 CA LEU A 64 0.666 5.558 -4.407 1.00 1.06 C ATOM 988 C LEU A 64 0.080 5.718 -5.807 1.00 1.05 C ATOM 989 O LEU A 64 -0.457 6.770 -6.143 1.00 1.06 O ATOM 990 CB LEU A 64 -0.443 5.654 -3.340 1.00 0.98 C ATOM 991 CG LEU A 64 -1.589 4.624 -3.418 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.712 5.113 -4.322 1.00 0.99 C ATOM 993 CD2 LEU A 64 -1.088 3.262 -3.883 1.00 1.06 C ATOM 0 H LEU A 64 1.413 7.257 -3.441 1.00 1.16 H new ATOM 0 HA LEU A 64 1.131 4.574 -4.350 1.00 1.06 H new ATOM 0 HB2 LEU A 64 0.024 5.566 -2.359 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -0.880 6.651 -3.397 1.00 0.98 H new ATOM 0 HG LEU A 64 -1.986 4.511 -2.409 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.504 4.365 -4.356 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.113 6.048 -3.931 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.324 5.277 -5.328 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -1.923 2.562 -3.926 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.643 3.357 -4.873 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.339 2.891 -3.183 1.00 1.06 H new ATOM 1005 N ILE A 65 0.201 4.672 -6.619 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.336 4.675 -7.975 1.00 1.08 C ATOM 1007 C ILE A 65 -0.861 3.284 -8.327 1.00 1.05 C ATOM 1008 O ILE A 65 -0.087 2.395 -8.687 1.00 1.15 O ATOM 1009 CB ILE A 65 0.715 5.101 -9.033 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.234 6.516 -8.750 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.113 5.031 -10.432 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.328 6.964 -9.696 1.00 1.42 C ATOM 0 H ILE A 65 0.670 3.805 -6.358 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.143 5.408 -7.995 1.00 1.08 H new ATOM 0 HB ILE A 65 1.557 4.411 -8.975 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.402 7.218 -8.812 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.610 6.558 -7.728 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.861 5.332 -11.165 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.208 4.010 -10.639 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.745 5.700 -10.493 1.00 1.42 H new ATOM 0 HD11 ILE A 65 2.645 7.974 -9.434 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.177 6.286 -9.617 1.00 1.42 H new ATOM 0 HD13 ILE A 65 1.951 6.956 -10.719 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.170 3.094 -8.198 1.00 0.93 N ATOM 1025 CA PHE A 66 -2.798 1.811 -8.504 1.00 0.91 C ATOM 1026 C PHE A 66 -4.313 1.961 -8.539 1.00 0.84 C ATOM 1027 O PHE A 66 -4.841 2.997 -8.139 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.401 0.741 -7.481 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.022 -0.575 -8.111 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -0.724 -0.805 -8.534 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -2.965 -1.579 -8.283 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -0.373 -2.007 -9.117 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -2.617 -2.784 -8.864 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.319 -2.997 -9.282 1.00 1.16 C ATOM 0 H PHE A 66 -2.820 3.814 -7.883 1.00 0.93 H new ATOM 0 HA PHE A 66 -2.447 1.491 -9.485 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.562 1.108 -6.889 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.231 0.581 -6.793 1.00 0.89 H new ATOM 0 HD1 PHE A 66 0.023 -0.035 -8.407 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -3.982 -1.417 -7.959 1.00 1.20 H new ATOM 0 HE1 PHE A 66 0.643 -2.172 -9.444 1.00 1.32 H new ATOM 0 HE2 PHE A 66 -3.360 -3.558 -8.991 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.045 -3.937 -9.737 1.00 1.16 H new ATOM 1044 N LYS A 67 -4.984 0.907 -9.015 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.447 0.851 -9.150 1.00 0.89 C ATOM 1046 C LYS A 67 -7.026 2.128 -9.774 1.00 0.84 C ATOM 1047 O LYS A 67 -8.085 2.613 -9.367 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.158 0.473 -7.823 1.00 1.00 C ATOM 1049 CG LYS A 67 -6.900 1.379 -6.618 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.643 0.857 -5.388 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.463 1.750 -4.162 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.289 1.280 -3.007 1.00 0.54 N ATOM 0 H LYS A 67 -4.519 0.053 -9.323 1.00 0.87 H new ATOM 0 HA LYS A 67 -6.654 0.040 -9.849 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -8.232 0.452 -8.008 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -6.860 -0.541 -7.555 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -5.831 1.425 -6.412 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -7.225 2.395 -6.843 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -8.705 0.775 -5.619 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -7.289 -0.147 -5.155 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -6.412 1.765 -3.875 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -7.740 2.774 -4.414 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.247 1.983 -2.241 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -9.276 1.159 -3.312 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -7.919 0.371 -2.663 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.322 2.650 -10.781 1.00 0.89 N ATOM 1067 CA GLY A 68 -6.760 3.845 -11.488 1.00 0.93 C ATOM 1068 C GLY A 68 -6.772 5.088 -10.623 1.00 0.94 C ATOM 1069 O GLY A 68 -7.518 6.030 -10.897 1.00 1.05 O ATOM 0 H GLY A 68 -5.444 2.259 -11.122 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.104 4.013 -12.342 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -7.762 3.677 -11.883 1.00 0.93 H new ATOM 1073 N LYS A 69 -5.960 5.097 -9.578 1.00 0.89 N ATOM 1074 CA LYS A 69 -5.899 6.237 -8.679 1.00 0.93 C ATOM 1075 C LYS A 69 -4.461 6.556 -8.299 1.00 0.96 C ATOM 1076 O LYS A 69 -3.534 5.828 -8.653 1.00 1.05 O ATOM 1077 CB LYS A 69 -6.711 5.964 -7.411 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.045 5.288 -7.679 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.866 5.132 -6.416 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.886 6.250 -6.277 1.00 1.24 C ATOM 1081 NZ LYS A 69 -10.874 6.247 -7.388 1.00 1.50 N ATOM 0 H LYS A 69 -5.335 4.329 -9.332 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.323 7.094 -9.202 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.123 5.337 -6.741 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -6.888 6.906 -6.893 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -8.608 5.872 -8.407 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -7.872 4.307 -8.122 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.378 4.170 -6.429 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.206 5.130 -5.549 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.410 6.146 -5.327 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.370 7.210 -6.254 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.771 6.655 -7.056 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -10.508 6.814 -8.180 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.035 5.270 -7.707 1.00 1.50 H new ATOM 1095 N SER A 70 -4.287 7.650 -7.572 1.00 0.95 N ATOM 1096 CA SER A 70 -2.973 8.082 -7.129 1.00 1.00 C ATOM 1097 C SER A 70 -3.082 8.745 -5.761 1.00 0.93 C ATOM 1098 O SER A 70 -4.171 9.162 -5.366 1.00 0.89 O ATOM 1099 CB SER A 70 -2.362 9.046 -8.147 1.00 1.17 C ATOM 1100 OG SER A 70 -2.273 8.437 -9.424 1.00 1.46 O ATOM 0 H SER A 70 -5.049 8.259 -7.275 1.00 0.95 H new ATOM 0 HA SER A 70 -2.320 7.213 -7.046 1.00 1.00 H new ATOM 0 HB2 SER A 70 -2.970 9.949 -8.211 1.00 1.17 H new ATOM 0 HB3 SER A 70 -1.370 9.353 -7.815 1.00 1.17 H new ATOM 0 HG SER A 70 -1.881 9.070 -10.062 1.00 1.46 H new ATOM 1106 N LEU A 71 -1.960 8.819 -5.050 1.00 1.01 N ATOM 1107 CA LEU A 71 -1.906 9.411 -3.712 1.00 0.99 C ATOM 1108 C LEU A 71 -2.559 10.793 -3.670 1.00 1.00 C ATOM 1109 O LEU A 71 -2.208 11.689 -4.443 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.453 9.496 -3.213 1.00 1.11 C ATOM 1111 CG LEU A 71 0.439 10.530 -3.910 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.588 10.933 -3.005 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.970 9.988 -5.227 1.00 1.28 C ATOM 0 H LEU A 71 -1.061 8.471 -5.383 1.00 1.01 H new ATOM 0 HA LEU A 71 -2.472 8.757 -3.049 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -0.469 9.720 -2.146 1.00 1.11 H new ATOM 0 HB3 LEU A 71 0.007 8.514 -3.326 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.166 11.412 -4.123 1.00 1.24 H new ATOM 0 HD11 LEU A 71 2.212 11.667 -3.514 1.00 1.35 H new ATOM 0 HD12 LEU A 71 1.193 11.367 -2.087 1.00 1.35 H new ATOM 0 HD13 LEU A 71 2.186 10.054 -2.763 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.600 10.740 -5.702 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.557 9.089 -5.040 1.00 1.28 H new ATOM 0 HD23 LEU A 71 0.135 9.746 -5.884 1.00 1.28 H new ATOM 1125 N LYS A 72 -3.520 10.942 -2.763 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.248 12.188 -2.577 1.00 0.99 C ATOM 1127 C LYS A 72 -5.313 11.978 -1.508 1.00 0.95 C ATOM 1128 O LYS A 72 -5.630 10.840 -1.167 1.00 0.92 O ATOM 1129 CB LYS A 72 -4.908 12.638 -3.889 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.088 14.141 -4.001 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.310 14.558 -5.442 1.00 1.29 C ATOM 1132 CE LYS A 72 -5.587 16.047 -5.558 1.00 1.62 C ATOM 1133 NZ LYS A 72 -5.645 16.490 -6.977 1.00 1.90 N ATOM 0 H LYS A 72 -3.816 10.196 -2.134 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.551 12.966 -2.266 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -4.303 12.291 -4.727 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -5.882 12.157 -3.978 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -5.937 14.455 -3.393 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.208 14.646 -3.604 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -4.431 14.304 -6.034 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -6.148 13.998 -5.858 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -6.531 16.280 -5.066 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.809 16.603 -5.035 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -6.094 17.426 -7.030 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -4.681 16.546 -7.363 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -6.200 15.807 -7.531 1.00 1.90 H new ATOM 1147 N GLU A 73 -5.848 13.066 -0.970 1.00 1.00 N ATOM 1148 CA GLU A 73 -6.889 12.976 0.047 1.00 1.01 C ATOM 1149 C GLU A 73 -8.218 12.673 -0.627 1.00 0.98 C ATOM 1150 O GLU A 73 -9.066 11.965 -0.090 1.00 1.01 O ATOM 1151 CB GLU A 73 -6.998 14.284 0.839 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.685 15.039 0.967 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.490 16.071 -0.130 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -5.772 15.759 -1.305 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -5.057 17.200 0.184 1.00 1.98 O ATOM 0 H GLU A 73 -5.580 14.018 -1.219 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.631 12.178 0.743 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.731 14.930 0.356 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.377 14.062 1.837 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -5.650 15.535 1.937 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -4.859 14.329 0.942 1.00 1.33 H new ATOM 1162 N MET A 74 -8.377 13.228 -1.816 1.00 1.01 N ATOM 1163 CA MET A 74 -9.574 13.039 -2.614 1.00 1.03 C ATOM 1164 C MET A 74 -9.261 13.345 -4.067 1.00 1.05 C ATOM 1165 O MET A 74 -8.703 14.398 -4.382 1.00 1.16 O ATOM 1166 CB MET A 74 -10.722 13.920 -2.106 1.00 1.15 C ATOM 1167 CG MET A 74 -10.320 15.353 -1.793 1.00 1.26 C ATOM 1168 SD MET A 74 -11.645 16.278 -0.996 1.00 1.65 S ATOM 1169 CE MET A 74 -10.787 17.785 -0.555 1.00 1.77 C ATOM 0 H MET A 74 -7.676 13.825 -2.256 1.00 1.01 H new ATOM 0 HA MET A 74 -9.898 12.002 -2.527 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.514 13.933 -2.855 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.141 13.468 -1.207 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.443 15.349 -1.146 1.00 1.26 H new ATOM 0 HG3 MET A 74 -10.033 15.857 -2.716 1.00 1.26 H new ATOM 0 HE1 MET A 74 -11.477 18.462 -0.051 1.00 1.77 H new ATOM 0 HE2 MET A 74 -9.958 17.550 0.112 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.403 18.262 -1.457 1.00 1.77 H new ATOM 1179 N GLU A 75 -9.590 12.413 -4.948 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.325 12.585 -6.366 1.00 1.14 C ATOM 1181 C GLU A 75 -10.458 12.000 -7.203 1.00 1.13 C ATOM 1182 O GLU A 75 -11.412 12.697 -7.539 1.00 1.31 O ATOM 1183 CB GLU A 75 -7.986 11.935 -6.741 1.00 1.16 C ATOM 1184 CG GLU A 75 -7.536 12.226 -8.166 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.516 13.711 -8.483 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -8.589 14.271 -8.786 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -6.429 14.323 -8.439 1.00 1.89 O ATOM 0 H GLU A 75 -10.041 11.531 -4.705 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.264 13.653 -6.577 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.218 12.283 -6.050 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.068 10.856 -6.610 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -6.539 11.813 -8.319 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -8.202 11.719 -8.864 1.00 1.28 H new ATOM 1194 N THR A 76 -10.363 10.716 -7.520 1.00 1.06 N ATOM 1195 CA THR A 76 -11.377 10.054 -8.318 1.00 1.09 C ATOM 1196 C THR A 76 -12.514 9.540 -7.432 1.00 1.04 C ATOM 1197 O THR A 76 -12.303 9.284 -6.243 1.00 0.98 O ATOM 1198 CB THR A 76 -10.756 8.895 -9.120 1.00 1.13 C ATOM 1199 OG1 THR A 76 -9.538 8.468 -8.491 1.00 1.07 O ATOM 1200 CG2 THR A 76 -10.461 9.317 -10.551 1.00 1.29 C ATOM 0 H THR A 76 -9.591 10.114 -7.234 1.00 1.06 H new ATOM 0 HA THR A 76 -11.790 10.781 -9.018 1.00 1.09 H new ATOM 0 HB THR A 76 -11.472 8.074 -9.140 1.00 1.13 H new ATOM 0 HG1 THR A 76 -8.991 7.975 -9.138 1.00 1.07 H new ATOM 0 HG21 THR A 76 -10.023 8.480 -11.094 1.00 1.29 H new ATOM 0 HG22 THR A 76 -11.387 9.622 -11.039 1.00 1.29 H new ATOM 0 HG23 THR A 76 -9.761 10.153 -10.547 1.00 1.29 H new ATOM 1208 N PRO A 77 -13.726 9.386 -8.007 1.00 1.12 N ATOM 1209 CA PRO A 77 -14.926 8.921 -7.290 1.00 1.14 C ATOM 1210 C PRO A 77 -14.698 7.676 -6.429 1.00 1.01 C ATOM 1211 O PRO A 77 -13.803 6.863 -6.695 1.00 0.94 O ATOM 1212 CB PRO A 77 -15.930 8.609 -8.412 1.00 1.26 C ATOM 1213 CG PRO A 77 -15.163 8.715 -9.690 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.031 9.658 -9.415 1.00 1.24 C ATOM 0 HA PRO A 77 -15.262 9.679 -6.582 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.352 7.611 -8.292 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -16.763 9.312 -8.397 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -14.791 7.740 -10.004 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -15.796 9.089 -10.495 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -13.175 9.463 -10.061 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.320 10.697 -9.574 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.547 7.533 -5.415 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.480 6.419 -4.473 1.00 0.97 C ATOM 1224 C LEU A 78 -15.905 5.118 -5.137 1.00 0.95 C ATOM 1225 O LEU A 78 -15.428 4.042 -4.787 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.377 6.693 -3.267 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.296 8.112 -2.708 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -17.617 8.843 -2.908 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -15.922 8.082 -1.236 1.00 1.22 C ATOM 0 H LEU A 78 -16.304 8.189 -5.223 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.446 6.321 -4.142 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.410 6.488 -3.548 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.118 5.991 -2.474 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.520 8.652 -3.251 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -17.539 9.852 -2.503 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -17.846 8.896 -3.972 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.412 8.305 -2.392 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -15.869 9.101 -0.853 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -16.676 7.525 -0.680 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -14.952 7.598 -1.117 1.00 1.22 H new ATOM 1241 N SER A 79 -16.788 5.228 -6.113 1.00 1.07 N ATOM 1242 CA SER A 79 -17.279 4.067 -6.844 1.00 1.12 C ATOM 1243 C SER A 79 -16.175 3.475 -7.721 1.00 1.00 C ATOM 1244 O SER A 79 -16.350 2.433 -8.351 1.00 1.04 O ATOM 1245 CB SER A 79 -18.485 4.478 -7.677 1.00 1.31 C ATOM 1246 OG SER A 79 -19.438 5.143 -6.861 1.00 1.68 O ATOM 0 H SER A 79 -17.184 6.116 -6.422 1.00 1.07 H new ATOM 0 HA SER A 79 -17.583 3.293 -6.139 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.170 5.133 -8.489 1.00 1.31 H new ATOM 0 HB3 SER A 79 -18.937 3.598 -8.135 1.00 1.31 H new ATOM 0 HG SER A 79 -19.645 4.587 -6.081 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.040 4.158 -7.742 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.882 3.723 -8.497 1.00 0.88 C ATOM 1254 C ALA A 80 -12.697 3.574 -7.550 1.00 0.74 C ATOM 1255 O ALA A 80 -11.540 3.678 -7.950 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.571 4.718 -9.606 1.00 1.02 C ATOM 0 H ALA A 80 -14.899 5.031 -7.234 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.088 2.759 -8.963 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.699 4.379 -10.165 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.426 4.793 -10.278 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.365 5.696 -9.170 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.003 3.349 -6.275 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.979 3.192 -5.244 1.00 0.55 C ATOM 1264 C LEU A 81 -11.505 1.745 -5.175 1.00 0.52 C ATOM 1265 O LEU A 81 -10.714 1.382 -4.304 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.542 3.607 -3.876 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.748 4.660 -3.089 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.260 4.357 -3.096 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.022 6.053 -3.628 1.00 0.75 C ATOM 0 H LEU A 81 -13.959 3.271 -5.929 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.134 3.831 -5.501 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.553 3.986 -4.026 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.625 2.713 -3.258 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.084 4.622 -2.053 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.730 5.123 -2.530 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.085 3.382 -2.640 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.895 4.348 -4.123 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.450 6.783 -3.056 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.728 6.102 -4.676 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.085 6.275 -3.539 1.00 0.75 H new ATOM 1281 N GLY A 82 -11.980 0.929 -6.100 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.613 -0.466 -6.110 1.00 0.62 C ATOM 1283 C GLY A 82 -12.635 -1.300 -5.371 1.00 0.63 C ATOM 1284 O GLY A 82 -12.310 -1.972 -4.391 1.00 0.64 O ATOM 0 H GLY A 82 -12.616 1.211 -6.846 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.528 -0.816 -7.139 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.634 -0.591 -5.649 1.00 0.62 H new ATOM 1288 N MET A 83 -13.878 -1.239 -5.836 1.00 0.84 N ATOM 1289 CA MET A 83 -14.971 -1.982 -5.215 1.00 1.01 C ATOM 1290 C MET A 83 -14.838 -3.475 -5.498 1.00 0.98 C ATOM 1291 O MET A 83 -15.367 -3.993 -6.484 1.00 1.26 O ATOM 1292 CB MET A 83 -16.335 -1.459 -5.694 1.00 1.34 C ATOM 1293 CG MET A 83 -16.443 -1.270 -7.201 1.00 1.54 C ATOM 1294 SD MET A 83 -18.136 -0.997 -7.755 1.00 2.03 S ATOM 1295 CE MET A 83 -17.904 -1.032 -9.532 1.00 2.27 C ATOM 0 H MET A 83 -14.155 -0.681 -6.644 1.00 0.84 H new ATOM 0 HA MET A 83 -14.911 -1.830 -4.137 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.110 -2.153 -5.371 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.537 -0.506 -5.205 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.827 -0.422 -7.501 1.00 1.54 H new ATOM 0 HG3 MET A 83 -16.040 -2.150 -7.702 1.00 1.54 H new ATOM 0 HE1 MET A 83 -18.863 -0.877 -10.027 1.00 2.27 H new ATOM 0 HE2 MET A 83 -17.213 -0.242 -9.824 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.495 -1.999 -9.827 1.00 2.27 H new ATOM 1305 N GLN A 84 -14.103 -4.152 -4.635 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.875 -5.581 -4.759 1.00 0.89 C ATOM 1307 C GLN A 84 -13.582 -6.171 -3.382 1.00 0.84 C ATOM 1308 O GLN A 84 -14.284 -5.869 -2.422 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.732 -5.856 -5.753 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.577 -4.870 -5.657 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.723 -4.848 -6.909 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.711 -5.540 -6.999 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -11.128 -4.055 -7.889 1.00 1.38 N ATOM 0 H GLN A 84 -13.647 -3.727 -3.828 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.770 -6.063 -5.152 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -12.351 -6.863 -5.583 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -13.132 -5.833 -6.767 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.972 -3.871 -5.473 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.954 -5.129 -4.801 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -11.974 -3.496 -7.776 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -10.594 -4.003 -8.757 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.552 -6.996 -3.271 1.00 0.74 N ATOM 1323 CA ASN A 85 -12.205 -7.597 -1.991 1.00 0.78 C ATOM 1324 C ASN A 85 -11.106 -6.795 -1.302 1.00 0.72 C ATOM 1325 O ASN A 85 -10.559 -7.217 -0.283 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.760 -9.051 -2.179 1.00 0.91 C ATOM 1327 CG ASN A 85 -10.314 -9.185 -2.629 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -9.791 -8.348 -3.364 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -9.657 -10.241 -2.179 1.00 1.09 N ATOM 0 H ASN A 85 -11.945 -7.264 -4.046 1.00 0.74 H new ATOM 0 HA ASN A 85 -13.093 -7.585 -1.359 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.892 -9.588 -1.240 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.408 -9.530 -2.914 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -8.681 -10.384 -2.440 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -10.126 -10.913 -1.571 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.783 -5.642 -1.872 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.749 -4.798 -1.311 1.00 0.57 C ATOM 1338 C GLY A 86 -8.794 -4.290 -2.366 1.00 0.51 C ATOM 1339 O GLY A 86 -8.196 -3.226 -2.207 1.00 0.49 O ATOM 0 H GLY A 86 -11.222 -5.276 -2.717 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -10.210 -3.951 -0.802 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -9.193 -5.358 -0.559 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.651 -5.064 -3.442 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.773 -4.712 -4.556 1.00 0.62 C ATOM 1345 C CYS A 87 -6.301 -4.773 -4.138 1.00 0.65 C ATOM 1346 O CYS A 87 -5.939 -5.468 -3.183 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.120 -3.320 -5.101 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.622 -3.047 -6.818 1.00 0.79 S ATOM 0 H CYS A 87 -9.140 -5.951 -3.565 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.930 -5.443 -5.349 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.196 -3.169 -5.019 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.643 -2.568 -4.473 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.227 -3.903 -7.587 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.455 -4.062 -4.874 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.025 -4.019 -4.599 1.00 0.77 C ATOM 1356 C ARG A 88 -3.528 -2.587 -4.727 1.00 0.75 C ATOM 1357 O ARG A 88 -4.133 -1.782 -5.434 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.253 -4.923 -5.570 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.441 -6.414 -5.318 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.631 -6.975 -6.085 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.418 -6.964 -7.530 1.00 1.27 N ATOM 1362 CZ ARG A 88 -5.394 -7.121 -8.428 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -6.652 -7.276 -8.028 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -5.112 -7.116 -9.725 1.00 1.74 N ATOM 0 H ARG A 88 -5.741 -3.501 -5.676 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.855 -4.381 -3.585 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.567 -4.696 -6.589 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.191 -4.686 -5.504 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.537 -6.948 -5.610 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.583 -6.587 -4.251 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -4.822 -7.997 -5.757 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.521 -6.392 -5.847 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.467 -6.828 -7.874 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.874 -7.275 -7.033 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -7.395 -7.396 -8.716 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -4.149 -6.992 -10.037 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -5.858 -7.236 -10.410 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.439 -2.266 -4.038 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.874 -0.924 -4.094 1.00 0.79 C ATOM 1380 C VAL A 89 -0.352 -0.981 -4.109 1.00 0.92 C ATOM 1381 O VAL A 89 0.256 -1.815 -3.436 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.331 -0.033 -2.913 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.766 0.433 -3.103 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.172 -0.757 -1.585 1.00 0.69 C ATOM 0 H VAL A 89 -1.931 -2.915 -3.436 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.243 -0.477 -5.017 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.688 0.847 -2.896 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.061 1.057 -2.259 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -3.842 1.010 -4.025 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.425 -0.433 -3.162 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.501 -0.107 -0.774 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.776 -1.664 -1.590 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.125 -1.020 -1.437 1.00 0.69 H new ATOM 1394 N MET A 90 0.250 -0.101 -4.887 1.00 0.97 N ATOM 1395 CA MET A 90 1.696 -0.031 -4.989 1.00 1.10 C ATOM 1396 C MET A 90 2.135 1.426 -4.949 1.00 1.14 C ATOM 1397 O MET A 90 1.466 2.301 -5.505 1.00 1.13 O ATOM 1398 CB MET A 90 2.185 -0.720 -6.275 1.00 1.21 C ATOM 1399 CG MET A 90 2.643 0.239 -7.367 1.00 1.49 C ATOM 1400 SD MET A 90 3.192 -0.612 -8.856 1.00 1.66 S ATOM 1401 CE MET A 90 3.783 0.775 -9.826 1.00 2.09 C ATOM 0 H MET A 90 -0.245 0.581 -5.462 1.00 0.97 H new ATOM 0 HA MET A 90 2.141 -0.558 -4.145 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.010 -1.387 -6.024 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.381 -1.342 -6.668 1.00 1.21 H new ATOM 0 HG2 MET A 90 1.824 0.913 -7.620 1.00 1.49 H new ATOM 0 HG3 MET A 90 3.457 0.856 -6.985 1.00 1.49 H new ATOM 0 HE1 MET A 90 4.159 0.415 -10.784 1.00 2.09 H new ATOM 0 HE2 MET A 90 2.965 1.475 -9.997 1.00 2.09 H new ATOM 0 HE3 MET A 90 4.585 1.280 -9.288 1.00 2.09 H new ATOM 1411 N LEU A 91 3.244 1.686 -4.281 1.00 1.21 N ATOM 1412 CA LEU A 91 3.759 3.041 -4.169 1.00 1.27 C ATOM 1413 C LEU A 91 5.204 3.116 -4.645 1.00 1.41 C ATOM 1414 O LEU A 91 6.014 2.230 -4.366 1.00 1.47 O ATOM 1415 CB LEU A 91 3.589 3.602 -2.728 1.00 1.22 C ATOM 1416 CG LEU A 91 4.422 2.985 -1.573 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.427 1.464 -1.601 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.843 3.529 -1.563 1.00 1.42 C ATOM 0 H LEU A 91 3.806 0.978 -3.808 1.00 1.21 H new ATOM 0 HA LEU A 91 3.166 3.679 -4.825 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.814 4.668 -2.762 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.537 3.507 -2.461 1.00 1.22 H new ATOM 0 HG LEU A 91 3.932 3.285 -0.647 1.00 1.27 H new ATOM 0 HD11 LEU A 91 5.025 1.087 -0.771 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.405 1.095 -1.510 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.855 1.119 -2.542 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.400 3.077 -0.742 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.331 3.290 -2.508 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.818 4.611 -1.432 1.00 1.42 H new ATOM 1430 N ILE A 92 5.509 4.162 -5.395 1.00 1.50 N ATOM 1431 CA ILE A 92 6.850 4.369 -5.910 1.00 1.65 C ATOM 1432 C ILE A 92 7.611 5.316 -4.995 1.00 1.71 C ATOM 1433 O ILE A 92 7.587 6.533 -5.180 1.00 1.89 O ATOM 1434 CB ILE A 92 6.833 4.940 -7.344 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.848 4.158 -8.218 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.231 4.893 -7.949 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.561 4.821 -9.549 1.00 1.79 C ATOM 0 H ILE A 92 4.840 4.885 -5.661 1.00 1.50 H new ATOM 0 HA ILE A 92 7.346 3.399 -5.941 1.00 1.65 H new ATOM 0 HB ILE A 92 6.508 5.979 -7.300 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.247 3.160 -8.397 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.912 4.034 -7.674 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.204 5.299 -8.960 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.912 5.486 -7.338 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.579 3.860 -7.982 1.00 1.96 H new ATOM 0 HD11 ILE A 92 4.856 4.212 -10.115 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.132 5.808 -9.379 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.488 4.921 -10.113 1.00 1.79 H new ATOM 1449 N GLY A 93 8.262 4.753 -3.994 1.00 1.73 N ATOM 1450 CA GLY A 93 9.013 5.557 -3.058 1.00 1.80 C ATOM 1451 C GLY A 93 9.630 4.715 -1.966 1.00 1.84 C ATOM 1452 O GLY A 93 10.054 3.582 -2.212 1.00 1.89 O ATOM 0 H GLY A 93 8.284 3.750 -3.812 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.798 6.096 -3.589 1.00 1.80 H new ATOM 0 HA3 GLY A 93 8.357 6.306 -2.613 1.00 1.80 H new ATOM 1456 N GLU A 94 9.660 5.247 -0.759 1.00 1.88 N ATOM 1457 CA GLU A 94 10.238 4.540 0.370 1.00 1.97 C ATOM 1458 C GLU A 94 9.147 4.081 1.330 1.00 1.80 C ATOM 1459 O GLU A 94 7.960 4.183 1.028 1.00 1.84 O ATOM 1460 CB GLU A 94 11.238 5.441 1.091 1.00 2.22 C ATOM 1461 CG GLU A 94 12.467 4.706 1.593 1.00 2.66 C ATOM 1462 CD GLU A 94 13.552 5.651 2.038 1.00 2.63 C ATOM 1463 OE1 GLU A 94 14.251 6.209 1.169 1.00 3.03 O ATOM 1464 OE2 GLU A 94 13.721 5.839 3.261 1.00 2.85 O ATOM 0 H GLU A 94 9.289 6.170 -0.534 1.00 1.88 H new ATOM 0 HA GLU A 94 10.760 3.657 0.001 1.00 1.97 H new ATOM 0 HB2 GLU A 94 11.552 6.236 0.414 1.00 2.22 H new ATOM 0 HB3 GLU A 94 10.741 5.919 1.935 1.00 2.22 H new ATOM 0 HG2 GLU A 94 12.187 4.059 2.425 1.00 2.66 H new ATOM 0 HG3 GLU A 94 12.851 4.061 0.803 1.00 2.66 H new ATOM 1471 N LYS A 95 9.557 3.562 2.475 1.00 1.82 N ATOM 1472 CA LYS A 95 8.626 3.092 3.482 1.00 1.72 C ATOM 1473 C LYS A 95 9.207 3.313 4.870 1.00 1.77 C ATOM 1474 O LYS A 95 9.962 2.480 5.382 1.00 1.96 O ATOM 1475 CB LYS A 95 8.311 1.612 3.274 1.00 1.81 C ATOM 1476 CG LYS A 95 6.838 1.273 3.443 1.00 1.79 C ATOM 1477 CD LYS A 95 6.041 1.587 2.184 1.00 2.06 C ATOM 1478 CE LYS A 95 4.550 1.356 2.392 1.00 2.15 C ATOM 1479 NZ LYS A 95 4.276 0.083 3.108 1.00 2.38 N ATOM 0 H LYS A 95 10.539 3.456 2.730 1.00 1.82 H new ATOM 0 HA LYS A 95 7.699 3.658 3.389 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.630 1.318 2.274 1.00 1.81 H new ATOM 0 HB3 LYS A 95 8.894 1.022 3.981 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.733 0.216 3.686 1.00 1.79 H new ATOM 0 HG3 LYS A 95 6.429 1.835 4.283 1.00 1.79 H new ATOM 0 HD2 LYS A 95 6.212 2.624 1.893 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.395 0.963 1.363 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.130 2.187 2.958 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.047 1.343 1.425 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 3.340 -0.277 2.831 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 5.004 -0.618 2.861 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 4.292 0.251 4.134 1.00 2.38 H new ATOM 1493 N SER A 96 8.881 4.454 5.450 1.00 1.80 N ATOM 1494 CA SER A 96 9.352 4.805 6.776 1.00 1.92 C ATOM 1495 C SER A 96 8.622 3.988 7.839 1.00 1.83 C ATOM 1496 O SER A 96 7.397 4.048 7.952 1.00 1.95 O ATOM 1497 CB SER A 96 9.144 6.299 7.013 1.00 2.15 C ATOM 1498 OG SER A 96 9.529 7.049 5.870 1.00 2.38 O ATOM 0 H SER A 96 8.285 5.160 5.017 1.00 1.80 H new ATOM 0 HA SER A 96 10.416 4.577 6.847 1.00 1.92 H new ATOM 0 HB2 SER A 96 8.097 6.493 7.245 1.00 2.15 H new ATOM 0 HB3 SER A 96 9.726 6.619 7.877 1.00 2.15 H new ATOM 0 HG SER A 96 9.386 8.003 6.042 1.00 2.38 H new ATOM 1504 N ASN A 97 9.383 3.215 8.597 1.00 1.89 N ATOM 1505 CA ASN A 97 8.832 2.377 9.653 1.00 1.93 C ATOM 1506 C ASN A 97 9.897 2.124 10.705 1.00 2.29 C ATOM 1507 O ASN A 97 11.071 1.955 10.317 1.00 2.53 O ATOM 1508 CB ASN A 97 8.338 1.045 9.080 1.00 1.89 C ATOM 1509 CG ASN A 97 7.946 0.053 10.162 1.00 2.00 C ATOM 1510 OD1 ASN A 97 8.752 -0.785 10.577 1.00 2.24 O ATOM 1511 ND2 ASN A 97 6.708 0.144 10.628 1.00 1.96 N ATOM 1512 OXT ASN A 97 9.568 2.107 11.908 1.00 2.61 O ATOM 0 H ASN A 97 10.396 3.150 8.499 1.00 1.89 H new ATOM 0 HA ASN A 97 7.985 2.892 10.107 1.00 1.93 H new ATOM 0 HB2 ASN A 97 7.481 1.228 8.432 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.120 0.609 8.458 1.00 1.89 H new ATOM 0 HD21 ASN A 97 6.390 -0.494 11.358 1.00 1.96 H new ATOM 0 HD22 ASN A 97 6.074 0.852 10.257 1.00 1.96 H new ATOM 1609 N ARG B 189 16.813 -0.158 4.028 1.00 2.02 N ATOM 1610 CA ARG B 189 16.354 -0.898 2.852 1.00 1.77 C ATOM 1611 C ARG B 189 16.424 -0.027 1.598 1.00 1.33 C ATOM 1612 O ARG B 189 15.457 0.081 0.841 1.00 1.67 O ATOM 1613 CB ARG B 189 14.928 -1.411 3.078 1.00 2.37 C ATOM 1614 CG ARG B 189 14.761 -2.169 4.387 1.00 3.12 C ATOM 1615 CD ARG B 189 13.374 -1.968 4.980 1.00 3.82 C ATOM 1616 NE ARG B 189 12.340 -2.621 4.185 1.00 4.33 N ATOM 1617 CZ ARG B 189 11.113 -2.142 4.003 1.00 4.83 C ATOM 1618 NH1 ARG B 189 10.715 -1.031 4.625 1.00 4.91 N ATOM 1619 NH2 ARG B 189 10.268 -2.798 3.225 1.00 5.48 N ATOM 0 HA ARG B 189 17.013 -1.753 2.701 1.00 1.77 H new ATOM 0 HB2 ARG B 189 14.239 -0.566 3.065 1.00 2.37 H new ATOM 0 HB3 ARG B 189 14.649 -2.063 2.250 1.00 2.37 H new ATOM 0 HG2 ARG B 189 14.934 -3.232 4.217 1.00 3.12 H new ATOM 0 HG3 ARG B 189 15.514 -1.834 5.100 1.00 3.12 H new ATOM 0 HD2 ARG B 189 13.353 -2.362 5.996 1.00 3.82 H new ATOM 0 HD3 ARG B 189 13.160 -0.901 5.048 1.00 3.82 H new ATOM 0 HE ARG B 189 12.575 -3.507 3.737 1.00 4.33 H new ATOM 0 HH11 ARG B 189 11.355 -0.539 5.249 1.00 4.91 H new ATOM 0 HH12 ARG B 189 9.771 -0.674 4.477 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.560 -3.663 2.771 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.325 -2.438 3.079 1.00 5.48 H new ATOM 1633 N GLY B 190 17.572 0.605 1.400 1.00 1.17 N ATOM 1634 CA GLY B 190 17.766 1.462 0.248 1.00 1.54 C ATOM 1635 C GLY B 190 18.872 0.959 -0.654 1.00 1.70 C ATOM 1636 O GLY B 190 20.054 1.210 -0.398 1.00 1.97 O ATOM 0 H GLY B 190 18.378 0.539 2.022 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.837 1.524 -0.318 1.00 1.54 H new ATOM 0 HA3 GLY B 190 18.003 2.472 0.583 1.00 1.54 H new ATOM 1640 N GLY B 191 18.493 0.236 -1.700 1.00 1.91 N ATOM 1641 CA GLY B 191 19.468 -0.301 -2.632 1.00 2.36 C ATOM 1642 C GLY B 191 20.084 -1.589 -2.124 1.00 2.17 C ATOM 1643 O GLY B 191 19.968 -2.639 -2.757 1.00 2.71 O ATOM 0 H GLY B 191 17.523 0.011 -1.921 1.00 1.91 H new ATOM 0 HA2 GLY B 191 18.989 -0.482 -3.594 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.254 0.436 -2.800 1.00 2.36 H new ATOM 1647 N TYR B 192 20.722 -1.499 -0.971 1.00 1.71 N ATOM 1648 CA TYR B 192 21.355 -2.643 -0.341 1.00 1.86 C ATOM 1649 C TYR B 192 20.796 -2.815 1.063 1.00 1.87 C ATOM 1650 O TYR B 192 19.671 -2.399 1.336 1.00 2.21 O ATOM 1651 CB TYR B 192 22.872 -2.445 -0.293 1.00 1.91 C ATOM 1652 CG TYR B 192 23.654 -3.497 -1.051 1.00 2.45 C ATOM 1653 CD1 TYR B 192 23.367 -3.783 -2.381 1.00 2.95 C ATOM 1654 CD2 TYR B 192 24.692 -4.191 -0.443 1.00 2.80 C ATOM 1655 CE1 TYR B 192 24.092 -4.730 -3.082 1.00 3.62 C ATOM 1656 CE2 TYR B 192 25.420 -5.142 -1.135 1.00 3.41 C ATOM 1657 CZ TYR B 192 25.117 -5.407 -2.456 1.00 3.77 C ATOM 1658 OH TYR B 192 25.846 -6.346 -3.157 1.00 4.48 O ATOM 0 H TYR B 192 20.816 -0.630 -0.445 1.00 1.71 H new ATOM 0 HA TYR B 192 21.146 -3.541 -0.922 1.00 1.86 H new ATOM 0 HB2 TYR B 192 23.113 -1.463 -0.701 1.00 1.91 H new ATOM 0 HB3 TYR B 192 23.196 -2.446 0.748 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.564 -3.257 -2.876 1.00 2.95 H new ATOM 0 HD2 TYR B 192 24.935 -3.984 0.589 1.00 2.80 H new ATOM 0 HE1 TYR B 192 23.856 -4.938 -4.115 1.00 3.62 H new ATOM 0 HE2 TYR B 192 26.221 -5.675 -0.645 1.00 3.41 H new ATOM 0 HH TYR B 192 26.532 -6.731 -2.572 1.00 4.48 H new ATOM 1668 N ASP B 193 21.581 -3.413 1.952 1.00 2.08 N ATOM 1669 CA ASP B 193 21.154 -3.633 3.332 1.00 2.57 C ATOM 1670 C ASP B 193 20.720 -2.324 3.995 1.00 2.39 C ATOM 1671 O ASP B 193 19.620 -2.230 4.544 1.00 2.59 O ATOM 1672 CB ASP B 193 22.280 -4.284 4.138 1.00 3.18 C ATOM 1673 CG ASP B 193 21.905 -4.495 5.590 1.00 3.84 C ATOM 1674 OD1 ASP B 193 20.800 -5.013 5.852 1.00 4.22 O ATOM 1675 OD2 ASP B 193 22.719 -4.157 6.475 1.00 4.14 O ATOM 0 H ASP B 193 22.519 -3.755 1.743 1.00 2.08 H new ATOM 0 HA ASP B 193 20.295 -4.303 3.314 1.00 2.57 H new ATOM 0 HB2 ASP B 193 22.536 -5.244 3.689 1.00 3.18 H new ATOM 0 HB3 ASP B 193 23.171 -3.658 4.083 1.00 3.18 H new ATOM 1680 N VAL B 194 21.578 -1.310 3.923 1.00 2.39 N ATOM 1681 CA VAL B 194 21.278 -0.010 4.517 1.00 2.62 C ATOM 1682 C VAL B 194 22.379 1.009 4.220 1.00 2.80 C ATOM 1683 O VAL B 194 22.121 2.208 4.152 1.00 3.15 O ATOM 1684 CB VAL B 194 21.058 -0.116 6.049 1.00 3.43 C ATOM 1685 CG1 VAL B 194 22.327 -0.559 6.762 1.00 3.97 C ATOM 1686 CG2 VAL B 194 20.552 1.201 6.619 1.00 3.78 C ATOM 0 H VAL B 194 22.485 -1.363 3.460 1.00 2.39 H new ATOM 0 HA VAL B 194 20.351 0.336 4.060 1.00 2.62 H new ATOM 0 HB VAL B 194 20.296 -0.877 6.220 1.00 3.43 H new ATOM 0 HG11 VAL B 194 22.139 -0.623 7.834 1.00 3.97 H new ATOM 0 HG12 VAL B 194 22.632 -1.536 6.388 1.00 3.97 H new ATOM 0 HG13 VAL B 194 23.120 0.165 6.576 1.00 3.97 H new ATOM 0 HG21 VAL B 194 20.406 1.100 7.694 1.00 3.78 H new ATOM 0 HG22 VAL B 194 21.282 1.986 6.424 1.00 3.78 H new ATOM 0 HG23 VAL B 194 19.605 1.462 6.147 1.00 3.78 H new ATOM 1696 N GLU B 195 23.604 0.534 4.027 1.00 2.75 N ATOM 1697 CA GLU B 195 24.721 1.427 3.750 1.00 3.12 C ATOM 1698 C GLU B 195 24.814 1.778 2.263 1.00 2.88 C ATOM 1699 O GLU B 195 24.014 1.310 1.452 1.00 2.39 O ATOM 1700 CB GLU B 195 26.033 0.819 4.241 1.00 3.40 C ATOM 1701 CG GLU B 195 26.761 1.706 5.240 1.00 4.16 C ATOM 1702 CD GLU B 195 26.767 3.159 4.810 1.00 4.65 C ATOM 1703 OE1 GLU B 195 27.524 3.499 3.881 1.00 4.87 O ATOM 1704 OE2 GLU B 195 25.986 3.959 5.368 1.00 5.02 O ATOM 0 H GLU B 195 23.847 -0.456 4.057 1.00 2.75 H new ATOM 0 HA GLU B 195 24.540 2.353 4.295 1.00 3.12 H new ATOM 0 HB2 GLU B 195 25.829 -0.147 4.702 1.00 3.40 H new ATOM 0 HB3 GLU B 195 26.684 0.633 3.386 1.00 3.40 H new ATOM 0 HG2 GLU B 195 26.285 1.619 6.217 1.00 4.16 H new ATOM 0 HG3 GLU B 195 27.787 1.357 5.354 1.00 4.16 H new ATOM 1711 N ASN B 196 25.811 2.599 1.928 1.00 3.43 N ATOM 1712 CA ASN B 196 26.031 3.071 0.561 1.00 3.64 C ATOM 1713 C ASN B 196 26.358 1.936 -0.401 1.00 3.41 C ATOM 1714 O ASN B 196 26.044 2.030 -1.587 1.00 3.56 O ATOM 1715 CB ASN B 196 27.162 4.100 0.534 1.00 4.47 C ATOM 1716 CG ASN B 196 26.655 5.529 0.545 1.00 4.94 C ATOM 1717 OD1 ASN B 196 25.617 5.824 1.136 1.00 5.26 O ATOM 1718 ND2 ASN B 196 27.382 6.425 -0.108 1.00 5.14 N ATOM 0 H ASN B 196 26.490 2.956 2.600 1.00 3.43 H new ATOM 0 HA ASN B 196 25.099 3.529 0.230 1.00 3.64 H new ATOM 0 HB2 ASN B 196 27.811 3.943 1.395 1.00 4.47 H new ATOM 0 HB3 ASN B 196 27.770 3.942 -0.357 1.00 4.47 H new ATOM 0 HD21 ASN B 196 27.087 7.401 -0.133 1.00 5.14 H new ATOM 0 HD22 ASN B 196 28.237 6.138 -0.585 1.00 5.14 H new ATOM 1725 N GLU B 197 27.013 0.890 0.118 1.00 3.29 N ATOM 1726 CA GLU B 197 27.396 -0.289 -0.670 1.00 3.26 C ATOM 1727 C GLU B 197 28.487 0.045 -1.694 1.00 3.82 C ATOM 1728 O GLU B 197 28.541 1.148 -2.237 1.00 4.30 O ATOM 1729 CB GLU B 197 26.163 -0.914 -1.353 1.00 2.93 C ATOM 1730 CG GLU B 197 26.079 -0.668 -2.854 1.00 3.10 C ATOM 1731 CD GLU B 197 24.655 -0.525 -3.353 1.00 3.38 C ATOM 1732 OE1 GLU B 197 23.980 0.464 -2.982 1.00 3.83 O ATOM 1733 OE2 GLU B 197 24.208 -1.398 -4.122 1.00 3.60 O ATOM 0 H GLU B 197 27.293 0.837 1.097 1.00 3.29 H new ATOM 0 HA GLU B 197 27.813 -1.025 0.017 1.00 3.26 H new ATOM 0 HB2 GLU B 197 26.170 -1.989 -1.174 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.263 -0.518 -0.882 1.00 2.93 H new ATOM 0 HG2 GLU B 197 26.637 0.236 -3.100 1.00 3.10 H new ATOM 0 HG3 GLU B 197 26.561 -1.493 -3.379 1.00 3.10 H new ATOM 1740 N GLU B 198 29.379 -0.905 -1.932 1.00 3.91 N ATOM 1741 CA GLU B 198 30.459 -0.707 -2.889 1.00 4.52 C ATOM 1742 C GLU B 198 30.497 -1.834 -3.912 1.00 4.64 C ATOM 1743 O GLU B 198 31.442 -1.953 -4.689 1.00 5.16 O ATOM 1744 CB GLU B 198 31.795 -0.622 -2.156 1.00 4.90 C ATOM 1745 CG GLU B 198 32.065 0.741 -1.549 1.00 5.36 C ATOM 1746 CD GLU B 198 32.732 1.685 -2.525 1.00 5.99 C ATOM 1747 OE1 GLU B 198 32.023 2.312 -3.343 1.00 6.45 O ATOM 1748 OE2 GLU B 198 33.974 1.812 -2.472 1.00 6.25 O ATOM 0 H GLU B 198 29.377 -1.818 -1.478 1.00 3.91 H new ATOM 0 HA GLU B 198 30.278 0.228 -3.419 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.816 -1.373 -1.367 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.598 -0.867 -2.851 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.125 1.177 -1.210 1.00 5.36 H new ATOM 0 HG3 GLU B 198 32.698 0.625 -0.669 1.00 5.36 H new ATOM 1755 N LYS B 199 29.456 -2.651 -3.920 1.00 4.32 N ATOM 1756 CA LYS B 199 29.385 -3.769 -4.847 1.00 4.64 C ATOM 1757 C LYS B 199 28.318 -3.521 -5.908 1.00 4.89 C ATOM 1758 O LYS B 199 28.590 -3.611 -7.105 1.00 5.53 O ATOM 1759 CB LYS B 199 29.104 -5.068 -4.092 1.00 4.38 C ATOM 1760 CG LYS B 199 29.519 -6.315 -4.858 1.00 4.54 C ATOM 1761 CD LYS B 199 29.589 -7.539 -3.957 1.00 4.53 C ATOM 1762 CE LYS B 199 30.867 -7.560 -3.129 1.00 4.41 C ATOM 1763 NZ LYS B 199 32.085 -7.439 -3.975 1.00 4.56 N ATOM 0 H LYS B 199 28.652 -2.562 -3.298 1.00 4.32 H new ATOM 0 HA LYS B 199 30.348 -3.863 -5.350 1.00 4.64 H new ATOM 0 HB2 LYS B 199 29.630 -5.045 -3.137 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.039 -5.126 -3.868 1.00 4.38 H new ATOM 0 HG2 LYS B 199 28.809 -6.498 -5.665 1.00 4.54 H new ATOM 0 HG3 LYS B 199 30.492 -6.149 -5.321 1.00 4.54 H new ATOM 0 HD2 LYS B 199 28.725 -7.551 -3.292 1.00 4.53 H new ATOM 0 HD3 LYS B 199 29.535 -8.442 -4.566 1.00 4.53 H new ATOM 0 HE2 LYS B 199 30.845 -6.743 -2.408 1.00 4.41 H new ATOM 0 HE3 LYS B 199 30.913 -8.488 -2.558 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 32.898 -7.851 -3.474 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 31.937 -7.946 -4.871 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 32.272 -6.435 -4.172 1.00 4.56 H new ATOM 1777 N VAL B 200 27.107 -3.196 -5.448 1.00 4.46 N ATOM 1778 CA VAL B 200 25.971 -2.914 -6.331 1.00 4.74 C ATOM 1779 C VAL B 200 25.697 -4.070 -7.297 1.00 5.32 C ATOM 1780 O VAL B 200 25.886 -3.939 -8.511 1.00 5.99 O ATOM 1781 CB VAL B 200 26.174 -1.613 -7.151 1.00 5.22 C ATOM 1782 CG1 VAL B 200 24.839 -1.074 -7.643 1.00 5.43 C ATOM 1783 CG2 VAL B 200 26.905 -0.552 -6.342 1.00 4.96 C ATOM 0 H VAL B 200 26.886 -3.121 -4.455 1.00 4.46 H new ATOM 0 HA VAL B 200 25.112 -2.786 -5.672 1.00 4.74 H new ATOM 0 HB VAL B 200 26.792 -1.862 -8.014 1.00 5.22 H new ATOM 0 HG11 VAL B 200 25.004 -0.161 -8.216 1.00 5.43 H new ATOM 0 HG12 VAL B 200 24.357 -1.818 -8.277 1.00 5.43 H new ATOM 0 HG13 VAL B 200 24.198 -0.856 -6.789 1.00 5.43 H new ATOM 0 HG21 VAL B 200 27.030 0.346 -6.948 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.326 -0.311 -5.451 1.00 4.96 H new ATOM 0 HG23 VAL B 200 27.884 -0.930 -6.047 1.00 4.96 H new ATOM 1793 N LYS B 201 25.261 -5.207 -6.764 1.00 5.18 N ATOM 1794 CA LYS B 201 24.958 -6.365 -7.604 1.00 5.84 C ATOM 1795 C LYS B 201 23.848 -7.219 -6.991 1.00 5.78 C ATOM 1796 O LYS B 201 23.635 -8.364 -7.396 1.00 6.37 O ATOM 1797 CB LYS B 201 26.216 -7.215 -7.825 1.00 6.17 C ATOM 1798 CG LYS B 201 26.657 -7.999 -6.597 1.00 5.81 C ATOM 1799 CD LYS B 201 27.927 -8.794 -6.859 1.00 6.12 C ATOM 1800 CE LYS B 201 27.767 -9.750 -8.030 1.00 6.82 C ATOM 1801 NZ LYS B 201 26.728 -10.779 -7.773 1.00 7.02 N ATOM 0 H LYS B 201 25.110 -5.353 -5.766 1.00 5.18 H new ATOM 0 HA LYS B 201 24.609 -5.993 -8.567 1.00 5.84 H new ATOM 0 HB2 LYS B 201 26.032 -7.913 -8.642 1.00 6.17 H new ATOM 0 HB3 LYS B 201 27.031 -6.564 -8.140 1.00 6.17 H new ATOM 0 HG2 LYS B 201 26.823 -7.312 -5.768 1.00 5.81 H new ATOM 0 HG3 LYS B 201 25.860 -8.678 -6.294 1.00 5.81 H new ATOM 0 HD2 LYS B 201 28.750 -8.108 -7.061 1.00 6.12 H new ATOM 0 HD3 LYS B 201 28.194 -9.357 -5.965 1.00 6.12 H new ATOM 0 HE2 LYS B 201 27.504 -9.186 -8.925 1.00 6.82 H new ATOM 0 HE3 LYS B 201 28.720 -10.240 -8.230 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 26.711 -11.459 -8.560 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 26.946 -11.279 -6.888 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 25.798 -10.321 -7.692 1.00 7.02 H new ATOM 1815 N LEU B 202 23.129 -6.656 -6.032 1.00 5.18 N ATOM 1816 CA LEU B 202 22.050 -7.377 -5.373 1.00 5.23 C ATOM 1817 C LEU B 202 20.786 -6.535 -5.325 1.00 4.95 C ATOM 1818 O LEU B 202 20.841 -5.328 -5.095 1.00 4.37 O ATOM 1819 CB LEU B 202 22.455 -7.786 -3.956 1.00 4.91 C ATOM 1820 CG LEU B 202 23.421 -8.970 -3.866 1.00 5.32 C ATOM 1821 CD1 LEU B 202 23.844 -9.202 -2.425 1.00 5.10 C ATOM 1822 CD2 LEU B 202 22.779 -10.225 -4.442 1.00 6.12 C ATOM 0 H LEU B 202 23.272 -5.705 -5.693 1.00 5.18 H new ATOM 0 HA LEU B 202 21.849 -8.277 -5.954 1.00 5.23 H new ATOM 0 HB2 LEU B 202 22.913 -6.927 -3.465 1.00 4.91 H new ATOM 0 HB3 LEU B 202 21.553 -8.031 -3.395 1.00 4.91 H new ATOM 0 HG LEU B 202 24.310 -8.737 -4.453 1.00 5.32 H new ATOM 0 HD11 LEU B 202 24.531 -10.047 -2.379 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.341 -8.310 -2.043 1.00 5.10 H new ATOM 0 HD13 LEU B 202 22.965 -9.415 -1.818 1.00 5.10 H new ATOM 0 HD21 LEU B 202 23.479 -11.057 -4.370 1.00 6.12 H new ATOM 0 HD22 LEU B 202 21.875 -10.462 -3.881 1.00 6.12 H new ATOM 0 HD23 LEU B 202 22.523 -10.055 -5.488 1.00 6.12 H new ATOM 1834 N GLY B 203 19.653 -7.179 -5.557 1.00 5.44 N ATOM 1835 CA GLY B 203 18.383 -6.482 -5.528 1.00 5.30 C ATOM 1836 C GLY B 203 17.454 -7.036 -4.470 1.00 5.32 C ATOM 1837 O GLY B 203 16.348 -6.532 -4.276 1.00 5.33 O ATOM 0 H GLY B 203 19.589 -8.175 -5.766 1.00 5.44 H new ATOM 0 HA2 GLY B 203 18.556 -5.422 -5.339 1.00 5.30 H new ATOM 0 HA3 GLY B 203 17.906 -6.558 -6.505 1.00 5.30 H new ATOM 1841 N MET B 204 17.915 -8.067 -3.773 1.00 5.45 N ATOM 1842 CA MET B 204 17.123 -8.707 -2.729 1.00 5.69 C ATOM 1843 C MET B 204 16.830 -7.742 -1.581 1.00 5.11 C ATOM 1844 O MET B 204 15.801 -7.851 -0.925 1.00 5.36 O ATOM 1845 CB MET B 204 17.838 -9.958 -2.194 1.00 6.02 C ATOM 1846 CG MET B 204 19.106 -9.656 -1.408 1.00 5.50 C ATOM 1847 SD MET B 204 19.719 -11.083 -0.486 1.00 6.01 S ATOM 1848 CE MET B 204 20.529 -12.004 -1.791 1.00 6.67 C ATOM 0 H MET B 204 18.837 -8.480 -3.912 1.00 5.45 H new ATOM 0 HA MET B 204 16.174 -9.005 -3.175 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.150 -10.512 -1.556 1.00 6.02 H new ATOM 0 HB3 MET B 204 18.088 -10.608 -3.033 1.00 6.02 H new ATOM 0 HG2 MET B 204 19.880 -9.314 -2.095 1.00 5.50 H new ATOM 0 HG3 MET B 204 18.911 -8.838 -0.714 1.00 5.50 H new ATOM 0 HE1 MET B 204 20.334 -13.068 -1.660 1.00 6.67 H new ATOM 0 HE2 MET B 204 20.144 -11.680 -2.758 1.00 6.67 H new ATOM 0 HE3 MET B 204 21.603 -11.825 -1.750 1.00 6.67 H new ATOM 1858 N THR B 205 17.730 -6.799 -1.346 1.00 4.40 N ATOM 1859 CA THR B 205 17.553 -5.836 -0.270 1.00 3.86 C ATOM 1860 C THR B 205 17.337 -4.422 -0.805 1.00 3.22 C ATOM 1861 O THR B 205 17.427 -3.452 -0.057 1.00 2.61 O ATOM 1862 CB THR B 205 18.775 -5.841 0.661 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.738 -6.801 0.196 1.00 3.95 O ATOM 1864 CG2 THR B 205 18.368 -6.177 2.087 1.00 4.16 C ATOM 0 H THR B 205 18.588 -6.680 -1.884 1.00 4.40 H new ATOM 0 HA THR B 205 16.664 -6.135 0.285 1.00 3.86 H new ATOM 0 HB THR B 205 19.217 -4.845 0.652 1.00 3.67 H new ATOM 0 HG1 THR B 205 20.516 -6.799 0.792 1.00 3.95 H new ATOM 0 HG21 THR B 205 19.250 -6.174 2.727 1.00 4.16 H new ATOM 0 HG22 THR B 205 17.656 -5.434 2.447 1.00 4.16 H new ATOM 0 HG23 THR B 205 17.905 -7.164 2.110 1.00 4.16 H new ATOM 1872 N ASN B 206 17.032 -4.314 -2.094 1.00 3.55 N ATOM 1873 CA ASN B 206 16.814 -3.010 -2.726 1.00 3.31 C ATOM 1874 C ASN B 206 15.674 -2.256 -2.050 1.00 3.04 C ATOM 1875 O ASN B 206 15.758 -1.047 -1.832 1.00 2.62 O ATOM 1876 CB ASN B 206 16.517 -3.179 -4.214 1.00 4.07 C ATOM 1877 CG ASN B 206 16.329 -1.849 -4.923 1.00 4.18 C ATOM 1878 OD1 ASN B 206 15.209 -1.362 -5.075 1.00 4.40 O ATOM 1879 ND2 ASN B 206 17.427 -1.251 -5.361 1.00 4.21 N ATOM 0 H ASN B 206 16.929 -5.110 -2.724 1.00 3.55 H new ATOM 0 HA ASN B 206 17.728 -2.427 -2.611 1.00 3.31 H new ATOM 0 HB2 ASN B 206 17.334 -3.726 -4.685 1.00 4.07 H new ATOM 0 HB3 ASN B 206 15.618 -3.783 -4.336 1.00 4.07 H new ATOM 0 HD21 ASN B 206 17.362 -0.355 -5.844 1.00 4.21 H new ATOM 0 HD22 ASN B 206 18.338 -1.687 -5.216 1.00 4.21 H new ATOM 1886 N SER B 207 14.611 -2.983 -1.739 1.00 3.47 N ATOM 1887 CA SER B 207 13.446 -2.419 -1.071 1.00 3.42 C ATOM 1888 C SER B 207 12.619 -3.540 -0.455 1.00 3.82 C ATOM 1889 O SER B 207 11.390 -3.562 -0.552 1.00 4.01 O ATOM 1890 CB SER B 207 12.597 -1.600 -2.048 1.00 3.85 C ATOM 1891 OG SER B 207 13.168 -0.322 -2.276 1.00 3.99 O ATOM 0 H SER B 207 14.531 -3.979 -1.942 1.00 3.47 H new ATOM 0 HA SER B 207 13.785 -1.748 -0.282 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.507 -2.135 -2.993 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.589 -1.485 -1.650 1.00 3.85 H new ATOM 0 HG SER B 207 14.140 -0.372 -2.158 1.00 3.99 H new ATOM 1897 N HIS B 208 13.314 -4.475 0.176 1.00 4.12 N ATOM 1898 CA HIS B 208 12.673 -5.613 0.814 1.00 4.71 C ATOM 1899 C HIS B 208 12.216 -5.229 2.211 1.00 4.82 C ATOM 1900 O HIS B 208 11.001 -5.276 2.470 1.00 5.20 O ATOM 1901 CB HIS B 208 13.640 -6.797 0.893 1.00 5.42 C ATOM 1902 CG HIS B 208 13.013 -8.086 1.349 1.00 6.08 C ATOM 1903 ND1 HIS B 208 11.799 -8.159 1.999 1.00 6.30 N ATOM 1904 CD2 HIS B 208 13.455 -9.361 1.244 1.00 6.75 C ATOM 1905 CE1 HIS B 208 11.521 -9.418 2.269 1.00 6.95 C ATOM 1906 NE2 HIS B 208 12.505 -10.169 1.821 1.00 7.22 N ATOM 1907 OXT HIS B 208 13.080 -4.878 3.037 1.00 4.71 O ATOM 0 H HIS B 208 14.331 -4.466 0.259 1.00 4.12 H new ATOM 0 HA HIS B 208 11.809 -5.907 0.218 1.00 4.71 H new ATOM 0 HB2 HIS B 208 14.085 -6.952 -0.090 1.00 5.42 H new ATOM 0 HB3 HIS B 208 14.452 -6.542 1.574 1.00 5.42 H new ATOM 0 HD2 HIS B 208 14.381 -9.683 0.791 1.00 6.75 H new ATOM 0 HE1 HIS B 208 10.635 -9.774 2.773 1.00 6.95 H new ATOM 0 HE2 HIS B 208 12.554 -11.185 1.891 1.00 7.22 H new