USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1059 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 98 THR OG1 : rot -27:sc= -0.287 USER MOD Set 1.2: A 129 HIS : no HD1:sc= -0.828 X(o=-1.1,f=-1.3!) USER MOD Set 2.1: A 52 THR OG1 : rot -98:sc= 0.122 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= -0.578 USER MOD Set 3.1: A 38 ASN : amide:sc= 0 X(o=-1.8,f=-2.3) USER MOD Set 3.2: A 41 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.4) USER MOD Set 4.1: A 19 ASN : amide:sc= -2.4! K(o=-3.5!,f=-1.2) USER MOD Set 4.2: A 102 TYR OH : rot 15:sc= -1.07 USER MOD Single : A 1 PHE N :NH3+ 143:sc= 0.727 (180deg=0.0907) USER MOD Single : A 2 ASN : amide:sc= -0.108 K(o=-0.11,f=-4.2!) USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= -1.89! (180deg=-3.89!) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -0.0429 (180deg=-0.363) USER MOD Single : A 8 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= -1.44 (180deg=-1.63) USER MOD Single : A 17 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0594 (180deg=-0.353) USER MOD Single : A 21 ASN : amide:sc= -5.08! K(o=-5.1!,f=-0.67) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.0843 (180deg=-0.515) USER MOD Single : A 30 SER OG : rot 180:sc= -0.708 USER MOD Single : A 33 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.66) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0834 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.212 (180deg=-0.591) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -2.1! (180deg=-2.69!) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.0528 (180deg=-0.357) USER MOD Single : A 48 SER OG : rot -36:sc= 0.707 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -46:sc= -1.72 USER MOD Single : A 68 THR OG1 : rot -106:sc= -0.488 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= -0.0164 (180deg=-0.194) USER MOD Single : A 71 THR OG1 : rot -13:sc= 0.358 USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= -0.0149 (180deg=-0.135) USER MOD Single : A 78 GLN : amide:sc= -5.67! K(o=-5.7!,f=-0.48) USER MOD Single : A 80 SER OG : rot -27:sc= 0.443 USER MOD Single : A 81 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.6) USER MOD Single : A 87 THR OG1 : rot -37:sc= 0.933 USER MOD Single : A 91 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.9!) USER MOD Single : A 93 MET CE :methyl 178:sc= -1.04 (180deg=-1.09) USER MOD Single : A 97 SER OG : rot -95:sc= -1.32! USER MOD Single : A 105 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -3.37 K(o=-3.4,f=-4.8!) USER MOD Single : A 123 THR OG1 : rot -120:sc= -0.283 USER MOD Single : A 127 LYS NZ :NH3+ -168:sc= -0.0215 (180deg=-0.199) USER MOD Single : A 132 SER OG : rot -36:sc= -0.0441 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot -61:sc= 0.193 USER MOD Single : A 137 SER OG : rot 51:sc= 0.792 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -22.984 10.964 2.754 1.00 1.58 N ATOM 2 CA PHE A 1 -23.607 9.970 1.843 1.00 0.99 C ATOM 3 C PHE A 1 -23.086 8.566 2.132 1.00 0.95 C ATOM 4 O PHE A 1 -22.144 8.098 1.492 1.00 0.87 O ATOM 5 CB PHE A 1 -23.323 10.339 0.385 1.00 1.84 C ATOM 6 CG PHE A 1 -23.753 11.732 0.024 1.00 2.02 C ATOM 7 CD1 PHE A 1 -25.048 11.984 -0.400 1.00 2.67 C ATOM 8 CD2 PHE A 1 -22.862 12.789 0.109 1.00 1.89 C ATOM 9 CE1 PHE A 1 -25.445 13.264 -0.733 1.00 3.09 C ATOM 10 CE2 PHE A 1 -23.253 14.072 -0.222 1.00 2.25 C ATOM 11 CZ PHE A 1 -24.547 14.310 -0.643 1.00 2.83 C ATOM 0 H1 PHE A 1 -22.813 11.850 2.237 1.00 1.58 H new ATOM 0 H2 PHE A 1 -23.621 11.148 3.555 1.00 1.58 H new ATOM 0 H3 PHE A 1 -22.080 10.591 3.109 1.00 1.58 H new ATOM 0 HA PHE A 1 -24.684 9.982 2.013 1.00 0.99 H new ATOM 0 HB2 PHE A 1 -22.255 10.236 0.194 1.00 1.84 H new ATOM 0 HB3 PHE A 1 -23.833 9.630 -0.267 1.00 1.84 H new ATOM 0 HD1 PHE A 1 -25.755 11.170 -0.471 1.00 2.67 H new ATOM 0 HD2 PHE A 1 -21.849 12.608 0.438 1.00 1.89 H new ATOM 0 HE1 PHE A 1 -26.457 13.447 -1.064 1.00 3.09 H new ATOM 0 HE2 PHE A 1 -22.548 14.887 -0.152 1.00 2.25 H new ATOM 0 HZ PHE A 1 -24.856 15.312 -0.901 1.00 2.83 H new ATOM 23 N ASN A 2 -23.708 7.899 3.098 1.00 1.03 N ATOM 24 CA ASN A 2 -23.307 6.548 3.477 1.00 1.03 C ATOM 25 C ASN A 2 -23.624 5.551 2.370 1.00 0.98 C ATOM 26 O ASN A 2 -23.080 4.448 2.350 1.00 0.95 O ATOM 27 CB ASN A 2 -23.999 6.129 4.776 1.00 1.14 C ATOM 28 CG ASN A 2 -25.508 6.063 4.633 1.00 1.25 C ATOM 29 OD1 ASN A 2 -26.103 6.800 3.847 1.00 2.08 O ATOM 30 ND2 ASN A 2 -26.135 5.176 5.397 1.00 1.42 N ATOM 0 H ASN A 2 -24.492 8.272 3.633 1.00 1.03 H new ATOM 0 HA ASN A 2 -22.229 6.551 3.636 1.00 1.03 H new ATOM 0 HB2 ASN A 2 -23.623 5.154 5.086 1.00 1.14 H new ATOM 0 HB3 ASN A 2 -23.742 6.835 5.565 1.00 1.14 H new ATOM 0 HD21 ASN A 2 -27.150 5.086 5.346 1.00 1.42 H new ATOM 0 HD22 ASN A 2 -25.602 4.585 6.035 1.00 1.42 H new ATOM 37 N LYS A 3 -24.512 5.932 1.458 1.00 0.99 N ATOM 38 CA LYS A 3 -24.872 5.056 0.350 1.00 0.99 C ATOM 39 C LYS A 3 -23.626 4.687 -0.442 1.00 0.88 C ATOM 40 O LYS A 3 -23.449 3.540 -0.856 1.00 0.88 O ATOM 41 CB LYS A 3 -25.891 5.739 -0.564 1.00 1.05 C ATOM 42 CG LYS A 3 -27.196 6.087 0.133 1.00 1.40 C ATOM 43 CD LYS A 3 -28.147 6.831 -0.792 1.00 1.98 C ATOM 44 CE LYS A 3 -28.886 5.884 -1.728 1.00 2.69 C ATOM 45 NZ LYS A 3 -27.972 5.228 -2.702 1.00 3.23 N ATOM 0 H LYS A 3 -24.991 6.832 1.463 1.00 0.99 H new ATOM 0 HA LYS A 3 -25.322 4.149 0.753 1.00 0.99 H new ATOM 0 HB2 LYS A 3 -25.450 6.650 -0.968 1.00 1.05 H new ATOM 0 HB3 LYS A 3 -26.104 5.085 -1.410 1.00 1.05 H new ATOM 0 HG2 LYS A 3 -27.674 5.174 0.488 1.00 1.40 H new ATOM 0 HG3 LYS A 3 -26.988 6.700 1.010 1.00 1.40 H new ATOM 0 HD2 LYS A 3 -28.869 7.390 -0.197 1.00 1.98 H new ATOM 0 HD3 LYS A 3 -27.587 7.558 -1.380 1.00 1.98 H new ATOM 0 HE2 LYS A 3 -29.396 5.121 -1.141 1.00 2.69 H new ATOM 0 HE3 LYS A 3 -29.654 6.437 -2.269 1.00 2.69 H new ATOM 0 HZ1 LYS A 3 -28.493 5.010 -3.575 1.00 3.23 H new ATOM 0 HZ2 LYS A 3 -27.181 5.867 -2.921 1.00 3.23 H new ATOM 0 HZ3 LYS A 3 -27.602 4.347 -2.291 1.00 3.23 H new ATOM 59 N LYS A 4 -22.756 5.674 -0.639 1.00 0.82 N ATOM 60 CA LYS A 4 -21.513 5.466 -1.367 1.00 0.74 C ATOM 61 C LYS A 4 -20.472 4.820 -0.464 1.00 0.69 C ATOM 62 O LYS A 4 -19.693 3.975 -0.904 1.00 0.64 O ATOM 63 CB LYS A 4 -20.987 6.796 -1.914 1.00 0.74 C ATOM 64 CG LYS A 4 -19.733 6.656 -2.766 1.00 1.23 C ATOM 65 CD LYS A 4 -19.989 5.827 -4.017 1.00 1.54 C ATOM 66 CE LYS A 4 -20.889 6.559 -5.003 1.00 2.11 C ATOM 67 NZ LYS A 4 -20.265 7.818 -5.494 1.00 2.63 N ATOM 0 H LYS A 4 -22.892 6.627 -0.303 1.00 0.82 H new ATOM 0 HA LYS A 4 -21.710 4.798 -2.205 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -21.769 7.268 -2.509 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -20.775 7.464 -1.079 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -19.376 7.645 -3.052 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -18.943 6.190 -2.177 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -19.040 5.590 -4.497 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -20.450 4.880 -3.738 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -21.106 5.907 -5.849 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -21.841 6.788 -4.525 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -20.765 8.144 -6.346 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -20.327 8.547 -4.755 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -19.266 7.643 -5.725 1.00 2.63 H new ATOM 81 N ALA A 5 -20.470 5.222 0.806 1.00 0.73 N ATOM 82 CA ALA A 5 -19.531 4.680 1.780 1.00 0.73 C ATOM 83 C ALA A 5 -19.642 3.163 1.828 1.00 0.71 C ATOM 84 O ALA A 5 -18.645 2.448 1.711 1.00 0.64 O ATOM 85 CB ALA A 5 -19.785 5.279 3.155 1.00 0.82 C ATOM 0 H ALA A 5 -21.110 5.922 1.182 1.00 0.73 H new ATOM 0 HA ALA A 5 -18.519 4.945 1.474 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -19.075 4.863 3.870 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -19.662 6.361 3.109 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -20.800 5.043 3.473 1.00 0.82 H new ATOM 91 N ASP A 6 -20.867 2.677 1.996 1.00 0.80 N ATOM 92 CA ASP A 6 -21.116 1.246 2.040 1.00 0.81 C ATOM 93 C ASP A 6 -20.844 0.631 0.678 1.00 0.75 C ATOM 94 O ASP A 6 -20.342 -0.490 0.582 1.00 0.74 O ATOM 95 CB ASP A 6 -22.554 0.962 2.475 1.00 0.90 C ATOM 96 CG ASP A 6 -22.875 -0.521 2.487 1.00 1.65 C ATOM 97 OD1 ASP A 6 -23.306 -1.043 1.438 1.00 2.57 O ATOM 98 OD2 ASP A 6 -22.695 -1.159 3.546 1.00 1.58 O ATOM 0 H ASP A 6 -21.701 3.255 2.104 1.00 0.80 H new ATOM 0 HA ASP A 6 -20.444 0.797 2.772 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -22.717 1.374 3.471 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -23.242 1.474 1.802 1.00 0.90 H new ATOM 103 N GLU A 7 -21.179 1.371 -0.377 1.00 0.74 N ATOM 104 CA GLU A 7 -20.936 0.895 -1.729 1.00 0.71 C ATOM 105 C GLU A 7 -19.458 0.571 -1.885 1.00 0.63 C ATOM 106 O GLU A 7 -19.079 -0.342 -2.618 1.00 0.59 O ATOM 107 CB GLU A 7 -21.362 1.942 -2.761 1.00 0.72 C ATOM 108 CG GLU A 7 -21.218 1.467 -4.200 1.00 1.31 C ATOM 109 CD GLU A 7 -21.719 2.487 -5.204 1.00 1.58 C ATOM 110 OE1 GLU A 7 -22.931 2.479 -5.505 1.00 2.10 O ATOM 111 OE2 GLU A 7 -20.898 3.293 -5.690 1.00 1.91 O ATOM 0 H GLU A 7 -21.614 2.292 -0.320 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.528 -0.004 -1.901 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -22.401 2.218 -2.580 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -20.764 2.843 -2.622 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -20.170 1.247 -4.403 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -21.769 0.536 -4.328 1.00 1.31 H new ATOM 118 N ASN A 8 -18.630 1.338 -1.178 1.00 0.61 N ATOM 119 CA ASN A 8 -17.190 1.142 -1.211 1.00 0.54 C ATOM 120 C ASN A 8 -16.802 -0.117 -0.446 1.00 0.48 C ATOM 121 O ASN A 8 -15.901 -0.850 -0.852 1.00 0.39 O ATOM 122 CB ASN A 8 -16.470 2.351 -0.612 1.00 0.62 C ATOM 123 CG ASN A 8 -16.888 3.656 -1.259 1.00 0.62 C ATOM 124 OD1 ASN A 8 -17.216 3.699 -2.445 1.00 1.40 O ATOM 125 ND2 ASN A 8 -16.876 4.729 -0.478 1.00 0.55 N ATOM 0 H ASN A 8 -18.937 2.102 -0.575 1.00 0.61 H new ATOM 0 HA ASN A 8 -16.889 1.030 -2.252 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -16.674 2.398 0.458 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -15.394 2.222 -0.726 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -17.146 5.637 -0.855 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -16.597 4.645 0.499 1.00 0.55 H new ATOM 132 N LYS A 9 -17.485 -0.355 0.670 1.00 0.57 N ATOM 133 CA LYS A 9 -17.220 -1.527 1.498 1.00 0.57 C ATOM 134 C LYS A 9 -17.349 -2.821 0.698 1.00 0.48 C ATOM 135 O LYS A 9 -16.581 -3.761 0.899 1.00 0.44 O ATOM 136 CB LYS A 9 -18.184 -1.568 2.685 1.00 0.72 C ATOM 137 CG LYS A 9 -17.922 -2.720 3.643 1.00 0.86 C ATOM 138 CD LYS A 9 -18.955 -2.769 4.759 1.00 1.55 C ATOM 139 CE LYS A 9 -18.851 -1.558 5.674 1.00 1.84 C ATOM 140 NZ LYS A 9 -19.870 -1.596 6.759 1.00 2.67 N ATOM 0 H LYS A 9 -18.227 0.249 1.022 1.00 0.57 H new ATOM 0 HA LYS A 9 -16.195 -1.446 1.859 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -18.113 -0.628 3.232 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -19.205 -1.643 2.311 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -17.935 -3.661 3.093 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -16.926 -2.616 4.073 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -19.955 -2.815 4.328 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -18.818 -3.679 5.343 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -17.854 -1.519 6.113 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -18.978 -0.648 5.088 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -19.767 -0.754 7.361 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -20.822 -1.608 6.341 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -19.733 -2.452 7.334 1.00 2.67 H new ATOM 154 N VAL A 10 -18.321 -2.867 -0.208 1.00 0.48 N ATOM 155 CA VAL A 10 -18.550 -4.061 -1.017 1.00 0.44 C ATOM 156 C VAL A 10 -17.539 -4.185 -2.155 1.00 0.39 C ATOM 157 O VAL A 10 -16.894 -5.221 -2.308 1.00 0.37 O ATOM 158 CB VAL A 10 -19.964 -4.070 -1.624 1.00 0.51 C ATOM 159 CG1 VAL A 10 -20.349 -5.474 -2.064 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.981 -3.512 -0.640 1.00 1.15 C ATOM 0 H VAL A 10 -18.960 -2.096 -0.400 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.434 -4.907 -0.339 1.00 0.44 H new ATOM 0 HB VAL A 10 -19.961 -3.426 -2.504 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -21.352 -5.459 -2.490 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -19.641 -5.827 -2.814 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -20.330 -6.143 -1.204 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.972 -3.529 -1.093 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -20.984 -4.121 0.264 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -20.716 -2.486 -0.385 1.00 1.15 H new ATOM 170 N LYS A 11 -17.404 -3.125 -2.949 1.00 0.38 N ATOM 171 CA LYS A 11 -16.484 -3.130 -4.085 1.00 0.37 C ATOM 172 C LYS A 11 -15.040 -3.341 -3.640 1.00 0.31 C ATOM 173 O LYS A 11 -14.231 -3.900 -4.382 1.00 0.30 O ATOM 174 CB LYS A 11 -16.608 -1.826 -4.876 1.00 0.40 C ATOM 175 CG LYS A 11 -16.186 -0.591 -4.095 1.00 0.39 C ATOM 176 CD LYS A 11 -16.528 0.689 -4.844 1.00 0.46 C ATOM 177 CE LYS A 11 -15.764 0.794 -6.156 1.00 1.37 C ATOM 178 NZ LYS A 11 -16.130 2.020 -6.916 1.00 1.69 N ATOM 0 H LYS A 11 -17.919 -2.253 -2.827 1.00 0.38 H new ATOM 0 HA LYS A 11 -16.759 -3.966 -4.728 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -16.000 -1.900 -5.777 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.642 -1.705 -5.198 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -16.680 -0.588 -3.123 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.113 -0.628 -3.907 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -17.599 0.719 -5.043 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -16.296 1.550 -4.218 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -14.693 0.799 -5.953 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -15.968 -0.086 -6.766 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -15.463 2.153 -7.703 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -17.094 1.920 -7.292 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -16.089 2.845 -6.284 1.00 1.69 H new ATOM 192 N GLY A 12 -14.719 -2.894 -2.432 1.00 0.31 N ATOM 193 CA GLY A 12 -13.370 -3.052 -1.921 1.00 0.29 C ATOM 194 C GLY A 12 -13.098 -4.470 -1.467 1.00 0.27 C ATOM 195 O GLY A 12 -12.119 -5.088 -1.888 1.00 0.28 O ATOM 0 H GLY A 12 -15.367 -2.426 -1.798 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.654 -2.776 -2.695 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.216 -2.368 -1.086 1.00 0.29 H new ATOM 199 N GLU A 13 -13.967 -4.988 -0.603 1.00 0.26 N ATOM 200 CA GLU A 13 -13.819 -6.347 -0.097 1.00 0.26 C ATOM 201 C GLU A 13 -13.954 -7.354 -1.232 1.00 0.23 C ATOM 202 O GLU A 13 -13.406 -8.454 -1.171 1.00 0.23 O ATOM 203 CB GLU A 13 -14.862 -6.632 0.986 1.00 0.30 C ATOM 204 CG GLU A 13 -14.706 -5.763 2.223 1.00 1.16 C ATOM 205 CD GLU A 13 -13.343 -5.909 2.869 1.00 1.67 C ATOM 206 OE1 GLU A 13 -13.132 -6.905 3.592 1.00 2.39 O ATOM 207 OE2 GLU A 13 -12.485 -5.027 2.652 1.00 1.95 O ATOM 0 H GLU A 13 -14.779 -4.488 -0.240 1.00 0.26 H new ATOM 0 HA GLU A 13 -12.826 -6.444 0.341 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -15.858 -6.481 0.569 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -14.794 -7.680 1.277 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -14.866 -4.719 1.952 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -15.477 -6.026 2.947 1.00 1.16 H new ATOM 214 N ALA A 14 -14.684 -6.964 -2.272 1.00 0.22 N ATOM 215 CA ALA A 14 -14.888 -7.828 -3.428 1.00 0.21 C ATOM 216 C ALA A 14 -13.648 -7.840 -4.311 1.00 0.19 C ATOM 217 O ALA A 14 -13.266 -8.879 -4.849 1.00 0.23 O ATOM 218 CB ALA A 14 -16.102 -7.376 -4.226 1.00 0.23 C ATOM 0 H ALA A 14 -15.144 -6.056 -2.337 1.00 0.22 H new ATOM 0 HA ALA A 14 -15.068 -8.842 -3.070 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.238 -8.033 -5.085 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -16.989 -7.417 -3.594 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -15.950 -6.354 -4.572 1.00 0.23 H new ATOM 224 N PHE A 15 -13.026 -6.674 -4.458 1.00 0.19 N ATOM 225 CA PHE A 15 -11.821 -6.551 -5.266 1.00 0.17 C ATOM 226 C PHE A 15 -10.727 -7.464 -4.727 1.00 0.15 C ATOM 227 O PHE A 15 -10.129 -8.236 -5.475 1.00 0.15 O ATOM 228 CB PHE A 15 -11.337 -5.096 -5.290 1.00 0.20 C ATOM 229 CG PHE A 15 -9.850 -4.953 -5.478 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.234 -5.402 -6.636 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.071 -4.373 -4.490 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.867 -5.275 -6.804 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.704 -4.244 -4.651 1.00 0.23 C ATOM 234 CZ PHE A 15 -7.102 -4.696 -5.809 1.00 0.21 C ATOM 0 H PHE A 15 -13.337 -5.803 -4.028 1.00 0.19 H new ATOM 0 HA PHE A 15 -12.056 -6.854 -6.286 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.848 -4.566 -6.094 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.624 -4.612 -4.356 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.828 -5.856 -7.415 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.537 -4.017 -3.583 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.398 -5.628 -7.711 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.108 -3.791 -3.873 1.00 0.23 H new ATOM 0 HZ PHE A 15 -6.034 -4.597 -5.937 1.00 0.21 H new ATOM 244 N LEU A 16 -10.467 -7.368 -3.427 1.00 0.16 N ATOM 245 CA LEU A 16 -9.444 -8.193 -2.801 1.00 0.18 C ATOM 246 C LEU A 16 -9.833 -9.667 -2.861 1.00 0.18 C ATOM 247 O LEU A 16 -8.976 -10.542 -3.009 1.00 0.19 O ATOM 248 CB LEU A 16 -9.203 -7.751 -1.355 1.00 0.24 C ATOM 249 CG LEU A 16 -10.383 -7.935 -0.396 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.352 -9.316 0.244 1.00 0.53 C ATOM 251 CD2 LEU A 16 -10.369 -6.854 0.672 1.00 0.55 C ATOM 0 H LEU A 16 -10.948 -6.731 -2.792 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.513 -8.064 -3.353 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.351 -8.306 -0.963 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -8.923 -6.698 -1.359 1.00 0.24 H new ATOM 0 HG LEU A 16 -11.306 -7.848 -0.969 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -11.200 -9.423 0.921 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -10.410 -10.078 -0.533 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -9.424 -9.437 0.803 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -11.213 -6.998 1.346 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -9.439 -6.913 1.237 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -10.445 -5.875 0.199 1.00 0.55 H new ATOM 263 N THR A 17 -11.133 -9.937 -2.757 1.00 0.19 N ATOM 264 CA THR A 17 -11.635 -11.305 -2.817 1.00 0.20 C ATOM 265 C THR A 17 -11.214 -11.963 -4.125 1.00 0.21 C ATOM 266 O THR A 17 -10.701 -13.082 -4.135 1.00 0.22 O ATOM 267 CB THR A 17 -13.174 -11.349 -2.692 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.566 -11.044 -1.348 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.719 -12.715 -3.084 1.00 0.27 C ATOM 0 H THR A 17 -11.855 -9.227 -2.631 1.00 0.19 H new ATOM 0 HA THR A 17 -11.206 -11.850 -1.976 1.00 0.20 H new ATOM 0 HB THR A 17 -13.588 -10.605 -3.372 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.304 -10.125 -1.131 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.805 -12.715 -2.986 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.448 -12.932 -4.117 1.00 0.27 H new ATOM 0 HG23 THR A 17 -13.295 -13.477 -2.430 1.00 0.27 H new ATOM 277 N GLU A 18 -11.440 -11.257 -5.226 1.00 0.21 N ATOM 278 CA GLU A 18 -11.070 -11.756 -6.544 1.00 0.22 C ATOM 279 C GLU A 18 -9.558 -11.693 -6.719 1.00 0.21 C ATOM 280 O GLU A 18 -8.962 -12.523 -7.407 1.00 0.24 O ATOM 281 CB GLU A 18 -11.757 -10.939 -7.640 1.00 0.23 C ATOM 282 CG GLU A 18 -11.472 -11.449 -9.043 1.00 1.25 C ATOM 283 CD GLU A 18 -12.098 -10.583 -10.118 1.00 1.71 C ATOM 284 OE1 GLU A 18 -13.269 -10.830 -10.473 1.00 2.47 O ATOM 285 OE2 GLU A 18 -11.415 -9.658 -10.607 1.00 2.02 O ATOM 0 H GLU A 18 -11.878 -10.336 -5.232 1.00 0.21 H new ATOM 0 HA GLU A 18 -11.397 -12.793 -6.627 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -12.834 -10.949 -7.470 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.433 -9.901 -7.566 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -10.394 -11.491 -9.198 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -11.848 -12.468 -9.138 1.00 1.25 H new ATOM 292 N ASN A 19 -8.949 -10.695 -6.086 1.00 0.19 N ATOM 293 CA ASN A 19 -7.507 -10.498 -6.156 1.00 0.19 C ATOM 294 C ASN A 19 -6.754 -11.733 -5.669 1.00 0.21 C ATOM 295 O ASN A 19 -5.619 -11.973 -6.069 1.00 0.22 O ATOM 296 CB ASN A 19 -7.094 -9.289 -5.317 1.00 0.17 C ATOM 297 CG ASN A 19 -5.624 -9.334 -4.959 1.00 0.16 C ATOM 298 OD1 ASN A 19 -4.797 -8.671 -5.584 1.00 0.22 O ATOM 299 ND2 ASN A 19 -5.295 -10.140 -3.956 1.00 0.18 N ATOM 0 H ASN A 19 -9.437 -10.006 -5.515 1.00 0.19 H new ATOM 0 HA ASN A 19 -7.249 -10.323 -7.201 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -7.307 -8.373 -5.868 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.690 -9.258 -4.405 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -4.319 -10.230 -3.673 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -6.018 -10.669 -3.469 1.00 0.18 H new ATOM 306 N LYS A 20 -7.385 -12.496 -4.786 1.00 0.23 N ATOM 307 CA LYS A 20 -6.781 -13.708 -4.231 1.00 0.26 C ATOM 308 C LYS A 20 -6.153 -14.581 -5.318 1.00 0.27 C ATOM 309 O LYS A 20 -5.302 -15.425 -5.034 1.00 0.29 O ATOM 310 CB LYS A 20 -7.832 -14.513 -3.467 1.00 0.29 C ATOM 311 CG LYS A 20 -8.306 -13.838 -2.191 1.00 1.04 C ATOM 312 CD LYS A 20 -9.530 -14.533 -1.618 1.00 1.41 C ATOM 313 CE LYS A 20 -9.906 -13.966 -0.257 1.00 1.75 C ATOM 314 NZ LYS A 20 -8.835 -14.194 0.751 1.00 2.45 N ATOM 0 H LYS A 20 -8.322 -12.298 -4.435 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.987 -13.398 -3.551 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -8.690 -14.685 -4.117 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -7.419 -15.491 -3.219 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -7.503 -13.845 -1.454 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -8.541 -12.794 -2.396 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -10.369 -14.420 -2.305 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -9.334 -15.601 -1.527 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -10.097 -12.897 -0.349 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -10.832 -14.427 0.086 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -9.220 -14.047 1.706 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -8.480 -15.168 0.666 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -8.055 -13.526 0.586 1.00 2.45 H new ATOM 328 N ASN A 21 -6.574 -14.372 -6.561 1.00 0.27 N ATOM 329 CA ASN A 21 -6.081 -15.157 -7.686 1.00 0.30 C ATOM 330 C ASN A 21 -4.611 -14.871 -7.999 1.00 0.28 C ATOM 331 O ASN A 21 -3.898 -15.751 -8.482 1.00 0.31 O ATOM 332 CB ASN A 21 -6.934 -14.886 -8.926 1.00 0.33 C ATOM 333 CG ASN A 21 -8.363 -15.361 -8.752 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.995 -15.824 -9.702 1.00 0.40 O ATOM 335 ND2 ASN A 21 -8.884 -15.238 -7.536 1.00 0.34 N ATOM 0 H ASN A 21 -7.260 -13.661 -6.815 1.00 0.27 H new ATOM 0 HA ASN A 21 -6.156 -16.207 -7.403 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.932 -13.817 -9.140 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -6.489 -15.385 -9.787 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -9.845 -15.533 -7.360 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -8.323 -14.849 -6.778 1.00 0.34 H new ATOM 342 N LYS A 22 -4.160 -13.647 -7.730 1.00 0.25 N ATOM 343 CA LYS A 22 -2.770 -13.274 -7.998 1.00 0.24 C ATOM 344 C LYS A 22 -1.806 -14.257 -7.330 1.00 0.24 C ATOM 345 O LYS A 22 -1.811 -14.402 -6.111 1.00 0.23 O ATOM 346 CB LYS A 22 -2.483 -11.852 -7.498 1.00 0.26 C ATOM 347 CG LYS A 22 -3.506 -10.806 -7.933 1.00 0.41 C ATOM 348 CD LYS A 22 -4.017 -11.051 -9.346 1.00 1.16 C ATOM 349 CE LYS A 22 -4.780 -9.849 -9.879 1.00 1.03 C ATOM 350 NZ LYS A 22 -3.915 -8.642 -9.984 1.00 1.40 N ATOM 0 H LYS A 22 -4.730 -12.902 -7.330 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.619 -13.308 -9.077 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -2.438 -11.866 -6.409 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.499 -11.548 -7.854 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -4.346 -10.812 -7.239 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -3.055 -9.815 -7.879 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -3.177 -11.271 -10.005 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -4.666 -11.927 -9.353 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -5.192 -10.087 -10.860 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -5.623 -9.635 -9.223 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -4.337 -7.970 -10.657 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -3.833 -8.191 -9.050 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -2.970 -8.920 -10.319 1.00 1.40 H new ATOM 364 N PRO A 23 -0.971 -14.958 -8.121 1.00 0.29 N ATOM 365 CA PRO A 23 -0.003 -15.920 -7.583 1.00 0.33 C ATOM 366 C PRO A 23 0.966 -15.282 -6.592 1.00 0.33 C ATOM 367 O PRO A 23 1.415 -14.153 -6.791 1.00 0.34 O ATOM 368 CB PRO A 23 0.754 -16.418 -8.821 1.00 0.42 C ATOM 369 CG PRO A 23 0.483 -15.403 -9.879 1.00 0.65 C ATOM 370 CD PRO A 23 -0.889 -14.868 -9.589 1.00 0.35 C ATOM 0 HA PRO A 23 -0.500 -16.715 -7.027 1.00 0.33 H new ATOM 0 HB2 PRO A 23 1.822 -16.503 -8.622 1.00 0.42 H new ATOM 0 HB3 PRO A 23 0.406 -17.406 -9.124 1.00 0.42 H new ATOM 0 HG2 PRO A 23 1.226 -14.606 -9.856 1.00 0.65 H new ATOM 0 HG3 PRO A 23 0.526 -15.851 -10.872 1.00 0.65 H new ATOM 0 HD2 PRO A 23 -1.005 -13.842 -9.938 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.665 -15.460 -10.074 1.00 0.35 H new ATOM 378 N GLY A 24 1.284 -16.009 -5.526 1.00 0.34 N ATOM 379 CA GLY A 24 2.221 -15.506 -4.537 1.00 0.37 C ATOM 380 C GLY A 24 1.583 -14.676 -3.436 1.00 0.33 C ATOM 381 O GLY A 24 2.291 -14.136 -2.587 1.00 0.36 O ATOM 0 H GLY A 24 0.910 -16.937 -5.329 1.00 0.34 H new ATOM 0 HA2 GLY A 24 2.741 -16.350 -4.084 1.00 0.37 H new ATOM 0 HA3 GLY A 24 2.974 -14.901 -5.042 1.00 0.37 H new ATOM 385 N VAL A 25 0.255 -14.561 -3.440 1.00 0.29 N ATOM 386 CA VAL A 25 -0.434 -13.786 -2.407 1.00 0.29 C ATOM 387 C VAL A 25 -0.004 -14.241 -1.016 1.00 0.26 C ATOM 388 O VAL A 25 -0.302 -15.360 -0.595 1.00 0.31 O ATOM 389 CB VAL A 25 -1.971 -13.892 -2.532 1.00 0.35 C ATOM 390 CG1 VAL A 25 -2.652 -13.532 -1.217 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.475 -12.992 -3.649 1.00 0.81 C ATOM 0 H VAL A 25 -0.358 -14.987 -4.135 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.153 -12.743 -2.553 1.00 0.29 H new ATOM 0 HB VAL A 25 -2.220 -14.925 -2.773 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -3.733 -13.615 -1.332 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -2.317 -14.214 -0.435 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -2.394 -12.510 -0.941 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.559 -13.078 -3.724 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -2.207 -11.958 -3.432 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -2.021 -13.294 -4.593 1.00 0.81 H new ATOM 401 N VAL A 26 0.704 -13.365 -0.312 1.00 0.24 N ATOM 402 CA VAL A 26 1.189 -13.668 1.025 1.00 0.27 C ATOM 403 C VAL A 26 0.619 -12.708 2.061 1.00 0.25 C ATOM 404 O VAL A 26 0.648 -11.491 1.881 1.00 0.25 O ATOM 405 CB VAL A 26 2.724 -13.606 1.086 1.00 0.31 C ATOM 406 CG1 VAL A 26 3.324 -14.981 0.850 1.00 0.77 C ATOM 407 CG2 VAL A 26 3.259 -12.601 0.078 1.00 1.03 C ATOM 0 H VAL A 26 0.955 -12.435 -0.649 1.00 0.24 H new ATOM 0 HA VAL A 26 0.854 -14.680 1.255 1.00 0.27 H new ATOM 0 HB VAL A 26 3.016 -13.275 2.083 1.00 0.31 H new ATOM 0 HG11 VAL A 26 4.411 -14.917 0.897 1.00 0.77 H new ATOM 0 HG12 VAL A 26 2.968 -15.670 1.616 1.00 0.77 H new ATOM 0 HG13 VAL A 26 3.024 -15.345 -0.133 1.00 0.77 H new ATOM 0 HG21 VAL A 26 4.347 -12.571 0.136 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.957 -12.897 -0.927 1.00 1.03 H new ATOM 0 HG23 VAL A 26 2.857 -11.613 0.301 1.00 1.03 H new ATOM 417 N VAL A 27 0.101 -13.271 3.147 1.00 0.29 N ATOM 418 CA VAL A 27 -0.467 -12.475 4.227 1.00 0.29 C ATOM 419 C VAL A 27 0.608 -12.118 5.250 1.00 0.31 C ATOM 420 O VAL A 27 1.379 -12.977 5.679 1.00 0.35 O ATOM 421 CB VAL A 27 -1.612 -13.228 4.932 1.00 0.35 C ATOM 422 CG1 VAL A 27 -2.285 -12.339 5.965 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.624 -13.735 3.913 1.00 0.91 C ATOM 0 H VAL A 27 0.063 -14.278 3.302 1.00 0.29 H new ATOM 0 HA VAL A 27 -0.867 -11.562 3.787 1.00 0.29 H new ATOM 0 HB VAL A 27 -1.189 -14.088 5.451 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -3.090 -12.891 6.450 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -1.554 -12.032 6.712 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -2.695 -11.456 5.474 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -3.425 -14.264 4.428 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -3.041 -12.891 3.364 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -2.131 -14.413 3.217 1.00 0.91 H new ATOM 433 N LEU A 28 0.654 -10.847 5.641 1.00 0.32 N ATOM 434 CA LEU A 28 1.644 -10.381 6.606 1.00 0.36 C ATOM 435 C LEU A 28 1.073 -10.393 8.022 1.00 0.40 C ATOM 436 O LEU A 28 -0.141 -10.494 8.200 1.00 0.38 O ATOM 437 CB LEU A 28 2.126 -8.972 6.231 1.00 0.35 C ATOM 438 CG LEU A 28 2.799 -8.863 4.862 1.00 0.33 C ATOM 439 CD1 LEU A 28 3.337 -7.458 4.639 1.00 0.37 C ATOM 440 CD2 LEU A 28 3.920 -9.887 4.734 1.00 0.38 C ATOM 0 H LEU A 28 0.019 -10.123 5.305 1.00 0.32 H new ATOM 0 HA LEU A 28 2.495 -11.061 6.581 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.273 -8.294 6.255 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.827 -8.629 6.992 1.00 0.35 H new ATOM 0 HG LEU A 28 2.051 -9.071 4.097 1.00 0.33 H new ATOM 0 HD11 LEU A 28 3.812 -7.401 3.660 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.516 -6.742 4.686 1.00 0.37 H new ATOM 0 HD13 LEU A 28 4.069 -7.222 5.411 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.387 -9.794 3.754 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.665 -9.709 5.509 1.00 0.38 H new ATOM 0 HD23 LEU A 28 3.511 -10.891 4.847 1.00 0.38 H new ATOM 452 N PRO A 29 1.937 -10.322 9.053 1.00 0.46 N ATOM 453 CA PRO A 29 1.490 -10.314 10.449 1.00 0.51 C ATOM 454 C PRO A 29 0.424 -9.253 10.702 1.00 0.47 C ATOM 455 O PRO A 29 -0.448 -9.425 11.555 1.00 0.49 O ATOM 456 CB PRO A 29 2.766 -9.995 11.232 1.00 0.59 C ATOM 457 CG PRO A 29 3.870 -10.481 10.360 1.00 0.59 C ATOM 458 CD PRO A 29 3.409 -10.260 8.947 1.00 0.50 C ATOM 0 HA PRO A 29 1.028 -11.258 10.738 1.00 0.51 H new ATOM 0 HB2 PRO A 29 2.855 -8.926 11.427 1.00 0.59 H new ATOM 0 HB3 PRO A 29 2.774 -10.497 12.199 1.00 0.59 H new ATOM 0 HG2 PRO A 29 4.793 -9.936 10.559 1.00 0.59 H new ATOM 0 HG3 PRO A 29 4.076 -11.536 10.543 1.00 0.59 H new ATOM 0 HD2 PRO A 29 3.744 -9.297 8.561 1.00 0.50 H new ATOM 0 HD3 PRO A 29 3.796 -11.025 8.274 1.00 0.50 H new ATOM 466 N SER A 30 0.497 -8.158 9.949 1.00 0.43 N ATOM 467 CA SER A 30 -0.462 -7.069 10.092 1.00 0.41 C ATOM 468 C SER A 30 -1.716 -7.320 9.260 1.00 0.36 C ATOM 469 O SER A 30 -2.733 -6.656 9.455 1.00 0.36 O ATOM 470 CB SER A 30 0.175 -5.736 9.698 1.00 0.43 C ATOM 471 OG SER A 30 0.779 -5.111 10.816 1.00 1.14 O ATOM 0 H SER A 30 1.209 -8.003 9.235 1.00 0.43 H new ATOM 0 HA SER A 30 -0.756 -7.023 11.141 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.922 -5.902 8.922 1.00 0.43 H new ATOM 0 HB3 SER A 30 -0.584 -5.078 9.275 1.00 0.43 H new ATOM 0 HG SER A 30 1.181 -4.261 10.538 1.00 1.14 H new ATOM 477 N GLY A 31 -1.655 -8.291 8.351 1.00 0.34 N ATOM 478 CA GLY A 31 -2.813 -8.597 7.534 1.00 0.31 C ATOM 479 C GLY A 31 -2.706 -8.097 6.105 1.00 0.27 C ATOM 480 O GLY A 31 -3.710 -8.026 5.396 1.00 0.30 O ATOM 0 H GLY A 31 -0.832 -8.865 8.168 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -2.961 -9.677 7.521 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -3.698 -8.160 7.996 1.00 0.31 H new ATOM 484 N LEU A 32 -1.500 -7.748 5.675 1.00 0.25 N ATOM 485 CA LEU A 32 -1.301 -7.243 4.320 1.00 0.25 C ATOM 486 C LEU A 32 -1.167 -8.364 3.302 1.00 0.22 C ATOM 487 O LEU A 32 -0.508 -9.375 3.545 1.00 0.23 O ATOM 488 CB LEU A 32 -0.055 -6.376 4.247 1.00 0.35 C ATOM 489 CG LEU A 32 -0.090 -5.130 5.111 1.00 0.44 C ATOM 490 CD1 LEU A 32 0.822 -5.312 6.309 1.00 1.19 C ATOM 491 CD2 LEU A 32 0.313 -3.918 4.289 1.00 1.35 C ATOM 0 H LEU A 32 -0.651 -7.804 6.238 1.00 0.25 H new ATOM 0 HA LEU A 32 -2.186 -6.655 4.078 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.806 -6.978 4.538 1.00 0.35 H new ATOM 0 HB3 LEU A 32 0.101 -6.077 3.211 1.00 0.35 H new ATOM 0 HG LEU A 32 -1.104 -4.966 5.477 1.00 0.44 H new ATOM 0 HD11 LEU A 32 0.794 -4.415 6.927 1.00 1.19 H new ATOM 0 HD12 LEU A 32 0.486 -6.167 6.895 1.00 1.19 H new ATOM 0 HD13 LEU A 32 1.842 -5.485 5.967 1.00 1.19 H new ATOM 0 HD21 LEU A 32 0.285 -3.027 4.917 1.00 1.35 H new ATOM 0 HD22 LEU A 32 1.323 -4.059 3.904 1.00 1.35 H new ATOM 0 HD23 LEU A 32 -0.380 -3.797 3.456 1.00 1.35 H new ATOM 503 N GLN A 33 -1.798 -8.163 2.159 1.00 0.23 N ATOM 504 CA GLN A 33 -1.734 -9.108 1.055 1.00 0.22 C ATOM 505 C GLN A 33 -1.120 -8.408 -0.149 1.00 0.21 C ATOM 506 O GLN A 33 -1.432 -7.248 -0.420 1.00 0.21 O ATOM 507 CB GLN A 33 -3.125 -9.633 0.712 1.00 0.26 C ATOM 508 CG GLN A 33 -3.745 -10.480 1.811 1.00 0.33 C ATOM 509 CD GLN A 33 -5.105 -11.029 1.423 1.00 0.98 C ATOM 510 OE1 GLN A 33 -5.833 -10.417 0.641 1.00 1.75 O ATOM 511 NE2 GLN A 33 -5.454 -12.187 1.970 1.00 1.69 N ATOM 0 H GLN A 33 -2.370 -7.340 1.968 1.00 0.23 H new ATOM 0 HA GLN A 33 -1.119 -9.961 1.341 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.781 -8.788 0.502 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -3.066 -10.225 -0.201 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -3.077 -11.308 2.048 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -3.843 -9.880 2.716 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -4.819 -12.659 2.613 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -6.358 -12.605 1.747 1.00 1.69 H new ATOM 520 N TYR A 34 -0.251 -9.100 -0.870 1.00 0.20 N ATOM 521 CA TYR A 34 0.411 -8.495 -2.022 1.00 0.19 C ATOM 522 C TYR A 34 0.982 -9.537 -2.973 1.00 0.18 C ATOM 523 O TYR A 34 0.939 -10.738 -2.704 1.00 0.19 O ATOM 524 CB TYR A 34 1.530 -7.568 -1.547 1.00 0.19 C ATOM 525 CG TYR A 34 2.588 -8.259 -0.717 1.00 0.19 C ATOM 526 CD1 TYR A 34 2.330 -8.640 0.593 1.00 0.31 C ATOM 527 CD2 TYR A 34 3.846 -8.529 -1.242 1.00 0.25 C ATOM 528 CE1 TYR A 34 3.292 -9.269 1.353 1.00 0.32 C ATOM 529 CE2 TYR A 34 4.813 -9.157 -0.487 1.00 0.30 C ATOM 530 CZ TYR A 34 4.532 -9.526 0.811 1.00 0.26 C ATOM 531 OH TYR A 34 5.495 -10.153 1.569 1.00 0.31 O ATOM 0 H TYR A 34 0.012 -10.068 -0.684 1.00 0.20 H new ATOM 0 HA TYR A 34 -0.342 -7.928 -2.569 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.004 -7.112 -2.416 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.094 -6.759 -0.961 1.00 0.19 H new ATOM 0 HD1 TYR A 34 1.360 -8.440 1.023 1.00 0.31 H new ATOM 0 HD2 TYR A 34 4.070 -8.242 -2.259 1.00 0.25 H new ATOM 0 HE1 TYR A 34 3.075 -9.560 2.370 1.00 0.32 H new ATOM 0 HE2 TYR A 34 5.786 -9.359 -0.910 1.00 0.30 H new ATOM 0 HH TYR A 34 6.311 -10.260 1.037 1.00 0.31 H new ATOM 541 N LYS A 35 1.518 -9.055 -4.092 1.00 0.18 N ATOM 542 CA LYS A 35 2.127 -9.928 -5.091 1.00 0.20 C ATOM 543 C LYS A 35 3.589 -9.527 -5.300 1.00 0.18 C ATOM 544 O LYS A 35 3.888 -8.416 -5.739 1.00 0.19 O ATOM 545 CB LYS A 35 1.352 -9.847 -6.410 1.00 0.27 C ATOM 546 CG LYS A 35 1.594 -11.024 -7.342 1.00 0.35 C ATOM 547 CD LYS A 35 2.849 -10.829 -8.178 1.00 0.99 C ATOM 548 CE LYS A 35 3.022 -11.952 -9.190 1.00 1.58 C ATOM 549 NZ LYS A 35 1.845 -12.071 -10.095 1.00 2.15 N ATOM 0 H LYS A 35 1.543 -8.063 -4.329 1.00 0.18 H new ATOM 0 HA LYS A 35 2.091 -10.958 -4.737 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.286 -9.784 -6.190 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.626 -8.926 -6.925 1.00 0.27 H new ATOM 0 HG2 LYS A 35 1.685 -11.939 -6.757 1.00 0.35 H new ATOM 0 HG3 LYS A 35 0.734 -11.150 -8.000 1.00 0.35 H new ATOM 0 HD2 LYS A 35 2.796 -9.873 -8.699 1.00 0.99 H new ATOM 0 HD3 LYS A 35 3.721 -10.788 -7.525 1.00 0.99 H new ATOM 0 HE2 LYS A 35 3.919 -11.771 -9.783 1.00 1.58 H new ATOM 0 HE3 LYS A 35 3.172 -12.895 -8.664 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 2.091 -12.673 -10.907 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 1.050 -12.496 -9.577 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 1.571 -11.127 -10.434 1.00 2.15 H new ATOM 563 N VAL A 36 4.488 -10.453 -4.976 1.00 0.19 N ATOM 564 CA VAL A 36 5.928 -10.221 -5.073 1.00 0.19 C ATOM 565 C VAL A 36 6.446 -10.209 -6.507 1.00 0.22 C ATOM 566 O VAL A 36 6.227 -11.150 -7.271 1.00 0.28 O ATOM 567 CB VAL A 36 6.706 -11.286 -4.280 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.205 -11.051 -4.391 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.264 -11.294 -2.826 1.00 0.30 C ATOM 0 H VAL A 36 4.240 -11.383 -4.639 1.00 0.19 H new ATOM 0 HA VAL A 36 6.092 -9.230 -4.651 1.00 0.19 H new ATOM 0 HB VAL A 36 6.486 -12.264 -4.708 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.736 -11.815 -3.823 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.505 -11.103 -5.438 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.450 -10.067 -3.992 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.824 -12.053 -2.280 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.451 -10.316 -2.383 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.199 -11.519 -2.771 1.00 0.30 H new ATOM 579 N ILE A 37 7.136 -9.127 -6.856 1.00 0.22 N ATOM 580 CA ILE A 37 7.734 -8.982 -8.179 1.00 0.26 C ATOM 581 C ILE A 37 9.243 -9.224 -8.102 1.00 0.25 C ATOM 582 O ILE A 37 9.752 -10.199 -8.655 1.00 0.30 O ATOM 583 CB ILE A 37 7.469 -7.584 -8.772 1.00 0.29 C ATOM 584 CG1 ILE A 37 5.966 -7.289 -8.778 1.00 0.31 C ATOM 585 CG2 ILE A 37 8.042 -7.493 -10.180 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.625 -5.869 -9.180 1.00 0.65 C ATOM 0 H ILE A 37 7.295 -8.333 -6.236 1.00 0.22 H new ATOM 0 HA ILE A 37 7.273 -9.723 -8.832 1.00 0.26 H new ATOM 0 HB ILE A 37 7.963 -6.837 -8.151 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.472 -7.979 -9.462 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.563 -7.482 -7.784 1.00 0.31 H new ATOM 0 HG21 ILE A 37 7.848 -6.501 -10.588 1.00 0.37 H new ATOM 0 HG22 ILE A 37 9.117 -7.669 -10.147 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.571 -8.244 -10.814 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.543 -5.735 -9.161 1.00 0.65 H new ATOM 0 HD12 ILE A 37 6.089 -5.172 -8.482 1.00 0.65 H new ATOM 0 HD13 ILE A 37 5.997 -5.677 -10.186 1.00 0.65 H new ATOM 598 N ASN A 38 9.952 -8.326 -7.417 1.00 0.21 N ATOM 599 CA ASN A 38 11.398 -8.452 -7.247 1.00 0.22 C ATOM 600 C ASN A 38 11.773 -8.271 -5.778 1.00 0.29 C ATOM 601 O ASN A 38 11.997 -7.152 -5.322 1.00 0.44 O ATOM 602 CB ASN A 38 12.126 -7.412 -8.102 1.00 0.31 C ATOM 603 CG ASN A 38 13.631 -7.473 -7.932 1.00 0.40 C ATOM 604 OD1 ASN A 38 14.202 -8.543 -7.719 1.00 1.03 O ATOM 605 ND2 ASN A 38 14.282 -6.319 -8.015 1.00 0.56 N ATOM 0 H ASN A 38 9.547 -7.503 -6.971 1.00 0.21 H new ATOM 0 HA ASN A 38 11.700 -9.448 -7.570 1.00 0.22 H new ATOM 0 HB2 ASN A 38 11.875 -7.569 -9.151 1.00 0.31 H new ATOM 0 HB3 ASN A 38 11.773 -6.416 -7.835 1.00 0.31 H new ATOM 0 HD21 ASN A 38 15.295 -6.296 -7.901 1.00 0.56 H new ATOM 0 HD22 ASN A 38 13.769 -5.456 -8.193 1.00 0.56 H new ATOM 612 N SER A 39 11.835 -9.376 -5.039 1.00 0.28 N ATOM 613 CA SER A 39 12.162 -9.325 -3.616 1.00 0.37 C ATOM 614 C SER A 39 13.584 -9.805 -3.333 1.00 0.29 C ATOM 615 O SER A 39 14.088 -10.715 -3.990 1.00 0.33 O ATOM 616 CB SER A 39 11.174 -10.176 -2.821 1.00 0.58 C ATOM 617 OG SER A 39 11.292 -11.546 -3.163 1.00 1.50 O ATOM 0 H SER A 39 11.664 -10.314 -5.400 1.00 0.28 H new ATOM 0 HA SER A 39 12.093 -8.282 -3.307 1.00 0.37 H new ATOM 0 HB2 SER A 39 11.355 -10.047 -1.754 1.00 0.58 H new ATOM 0 HB3 SER A 39 10.157 -9.835 -3.015 1.00 0.58 H new ATOM 0 HG SER A 39 10.650 -12.070 -2.640 1.00 1.50 H new ATOM 623 N GLY A 40 14.222 -9.179 -2.345 1.00 0.34 N ATOM 624 CA GLY A 40 15.571 -9.563 -1.962 1.00 0.36 C ATOM 625 C GLY A 40 16.634 -8.984 -2.869 1.00 0.50 C ATOM 626 O GLY A 40 16.899 -9.521 -3.944 1.00 1.09 O ATOM 0 H GLY A 40 13.827 -8.411 -1.802 1.00 0.34 H new ATOM 0 HA2 GLY A 40 15.758 -9.237 -0.939 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.649 -10.650 -1.969 1.00 0.36 H new ATOM 630 N ASN A 41 17.251 -7.885 -2.435 1.00 0.42 N ATOM 631 CA ASN A 41 18.294 -7.241 -3.225 1.00 0.47 C ATOM 632 C ASN A 41 19.305 -6.503 -2.338 1.00 0.37 C ATOM 633 O ASN A 41 20.373 -7.033 -2.030 1.00 0.36 O ATOM 634 CB ASN A 41 17.675 -6.276 -4.246 1.00 0.60 C ATOM 635 CG ASN A 41 16.686 -6.960 -5.167 1.00 0.82 C ATOM 636 OD1 ASN A 41 17.051 -7.457 -6.232 1.00 1.70 O ATOM 637 ND2 ASN A 41 15.423 -6.988 -4.757 1.00 0.66 N ATOM 0 H ASN A 41 17.047 -7.427 -1.547 1.00 0.42 H new ATOM 0 HA ASN A 41 18.833 -8.024 -3.758 1.00 0.47 H new ATOM 0 HB2 ASN A 41 17.173 -5.466 -3.717 1.00 0.60 H new ATOM 0 HB3 ASN A 41 18.469 -5.825 -4.842 1.00 0.60 H new ATOM 0 HD21 ASN A 41 14.710 -7.435 -5.333 1.00 0.66 H new ATOM 0 HD22 ASN A 41 15.166 -6.563 -3.866 1.00 0.66 H new ATOM 644 N GLY A 42 18.960 -5.282 -1.931 1.00 0.35 N ATOM 645 CA GLY A 42 19.855 -4.482 -1.109 1.00 0.33 C ATOM 646 C GLY A 42 19.646 -4.656 0.386 1.00 0.33 C ATOM 647 O GLY A 42 18.799 -5.432 0.829 1.00 0.34 O ATOM 0 H GLY A 42 18.073 -4.831 -2.157 1.00 0.35 H new ATOM 0 HA2 GLY A 42 20.885 -4.742 -1.354 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.722 -3.431 -1.364 1.00 0.33 H new ATOM 651 N VAL A 43 20.440 -3.913 1.150 1.00 0.32 N ATOM 652 CA VAL A 43 20.389 -3.911 2.605 1.00 0.32 C ATOM 653 C VAL A 43 19.419 -2.846 3.102 1.00 0.29 C ATOM 654 O VAL A 43 18.864 -2.098 2.296 1.00 0.28 O ATOM 655 CB VAL A 43 21.779 -3.653 3.217 1.00 0.36 C ATOM 656 CG1 VAL A 43 22.544 -4.957 3.372 1.00 1.36 C ATOM 657 CG2 VAL A 43 22.567 -2.662 2.374 1.00 1.42 C ATOM 0 H VAL A 43 21.148 -3.286 0.768 1.00 0.32 H new ATOM 0 HA VAL A 43 20.046 -4.897 2.919 1.00 0.32 H new ATOM 0 HB VAL A 43 21.640 -3.217 4.206 1.00 0.36 H new ATOM 0 HG11 VAL A 43 23.523 -4.755 3.806 1.00 1.36 H new ATOM 0 HG12 VAL A 43 21.989 -5.629 4.027 1.00 1.36 H new ATOM 0 HG13 VAL A 43 22.669 -5.424 2.395 1.00 1.36 H new ATOM 0 HG21 VAL A 43 23.545 -2.496 2.826 1.00 1.42 H new ATOM 0 HG22 VAL A 43 22.696 -3.062 1.368 1.00 1.42 H new ATOM 0 HG23 VAL A 43 22.026 -1.717 2.323 1.00 1.42 H new ATOM 667 N LYS A 44 19.239 -2.766 4.427 1.00 0.29 N ATOM 668 CA LYS A 44 18.325 -1.786 5.031 1.00 0.28 C ATOM 669 C LYS A 44 18.020 -2.099 6.498 1.00 0.29 C ATOM 670 O LYS A 44 18.113 -3.241 6.948 1.00 0.32 O ATOM 671 CB LYS A 44 16.993 -1.758 4.263 1.00 0.29 C ATOM 672 CG LYS A 44 16.340 -3.126 4.107 1.00 0.39 C ATOM 673 CD LYS A 44 15.398 -3.442 5.261 1.00 1.17 C ATOM 674 CE LYS A 44 14.026 -2.813 5.062 1.00 1.63 C ATOM 675 NZ LYS A 44 14.088 -1.326 5.018 1.00 2.18 N ATOM 0 H LYS A 44 19.713 -3.367 5.101 1.00 0.29 H new ATOM 0 HA LYS A 44 18.827 -0.820 4.977 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.301 -1.093 4.780 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.164 -1.333 3.274 1.00 0.29 H new ATOM 0 HG2 LYS A 44 15.787 -3.159 3.168 1.00 0.39 H new ATOM 0 HG3 LYS A 44 17.113 -3.892 4.049 1.00 0.39 H new ATOM 0 HD2 LYS A 44 15.292 -4.523 5.357 1.00 1.17 H new ATOM 0 HD3 LYS A 44 15.832 -3.080 6.193 1.00 1.17 H new ATOM 0 HE2 LYS A 44 13.590 -3.184 4.135 1.00 1.63 H new ATOM 0 HE3 LYS A 44 13.365 -3.123 5.872 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 13.130 -0.935 5.120 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 14.687 -0.980 5.795 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 14.491 -1.022 4.109 1.00 2.18 H new ATOM 689 N PRO A 45 17.650 -1.040 7.251 1.00 0.29 N ATOM 690 CA PRO A 45 17.307 -1.097 8.671 1.00 0.30 C ATOM 691 C PRO A 45 15.848 -1.454 8.927 1.00 0.30 C ATOM 692 O PRO A 45 15.038 -1.546 8.004 1.00 0.29 O ATOM 693 CB PRO A 45 17.596 0.322 9.186 1.00 0.27 C ATOM 694 CG PRO A 45 17.960 1.143 7.988 1.00 0.30 C ATOM 695 CD PRO A 45 17.578 0.346 6.774 1.00 0.30 C ATOM 0 HA PRO A 45 17.880 -1.877 9.173 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.723 0.737 9.690 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.409 0.313 9.912 1.00 0.27 H new ATOM 0 HG2 PRO A 45 17.436 2.099 8.002 1.00 0.30 H new ATOM 0 HG3 PRO A 45 19.027 1.365 7.983 1.00 0.30 H new ATOM 0 HD2 PRO A 45 16.578 0.600 6.423 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.262 0.523 5.944 1.00 0.30 H new ATOM 703 N GLY A 46 15.531 -1.650 10.202 1.00 0.32 N ATOM 704 CA GLY A 46 14.182 -1.996 10.614 1.00 0.35 C ATOM 705 C GLY A 46 13.223 -0.845 10.393 1.00 0.33 C ATOM 706 O GLY A 46 13.590 0.137 9.760 1.00 0.28 O ATOM 0 H GLY A 46 16.197 -1.574 10.970 1.00 0.32 H new ATOM 0 HA2 GLY A 46 13.842 -2.867 10.055 1.00 0.35 H new ATOM 0 HA3 GLY A 46 14.182 -2.274 11.668 1.00 0.35 H new ATOM 710 N LYS A 47 11.986 -0.986 10.873 1.00 0.37 N ATOM 711 CA LYS A 47 10.941 0.034 10.694 1.00 0.37 C ATOM 712 C LYS A 47 11.446 1.473 10.887 1.00 0.34 C ATOM 713 O LYS A 47 10.742 2.423 10.549 1.00 0.35 O ATOM 714 CB LYS A 47 9.792 -0.221 11.672 1.00 0.44 C ATOM 715 CG LYS A 47 9.231 -1.630 11.604 1.00 0.99 C ATOM 716 CD LYS A 47 8.090 -1.819 12.592 1.00 0.94 C ATOM 717 CE LYS A 47 7.590 -3.255 12.597 1.00 1.85 C ATOM 718 NZ LYS A 47 8.659 -4.214 12.991 1.00 2.35 N ATOM 0 H LYS A 47 11.677 -1.806 11.395 1.00 0.37 H new ATOM 0 HA LYS A 47 10.605 -0.055 9.661 1.00 0.37 H new ATOM 0 HB2 LYS A 47 10.141 -0.027 12.686 1.00 0.44 H new ATOM 0 HB3 LYS A 47 8.990 0.489 11.470 1.00 0.44 H new ATOM 0 HG2 LYS A 47 8.877 -1.835 10.593 1.00 0.99 H new ATOM 0 HG3 LYS A 47 10.022 -2.349 11.817 1.00 0.99 H new ATOM 0 HD2 LYS A 47 8.425 -1.546 13.593 1.00 0.94 H new ATOM 0 HD3 LYS A 47 7.270 -1.148 12.336 1.00 0.94 H new ATOM 0 HE2 LYS A 47 6.750 -3.345 13.286 1.00 1.85 H new ATOM 0 HE3 LYS A 47 7.218 -3.513 11.606 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 8.229 -5.121 13.261 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 9.305 -4.362 12.190 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 9.191 -3.829 13.798 1.00 2.35 H new ATOM 732 N SER A 48 12.639 1.643 11.440 1.00 0.31 N ATOM 733 CA SER A 48 13.198 2.978 11.633 1.00 0.31 C ATOM 734 C SER A 48 13.941 3.439 10.375 1.00 0.27 C ATOM 735 O SER A 48 14.595 4.481 10.370 1.00 0.29 O ATOM 736 CB SER A 48 14.139 2.995 12.839 1.00 0.32 C ATOM 737 OG SER A 48 14.661 4.293 13.063 1.00 1.45 O ATOM 0 H SER A 48 13.236 0.881 11.761 1.00 0.31 H new ATOM 0 HA SER A 48 12.376 3.668 11.822 1.00 0.31 H new ATOM 0 HB2 SER A 48 13.603 2.657 13.726 1.00 0.32 H new ATOM 0 HB3 SER A 48 14.958 2.294 12.675 1.00 0.32 H new ATOM 0 HG SER A 48 14.810 4.738 12.203 1.00 1.45 H new ATOM 743 N ASP A 49 13.830 2.643 9.312 1.00 0.25 N ATOM 744 CA ASP A 49 14.482 2.935 8.036 1.00 0.24 C ATOM 745 C ASP A 49 13.740 4.026 7.265 1.00 0.23 C ATOM 746 O ASP A 49 12.544 4.235 7.464 1.00 0.29 O ATOM 747 CB ASP A 49 14.535 1.668 7.180 1.00 0.26 C ATOM 748 CG ASP A 49 13.162 1.202 6.736 1.00 0.74 C ATOM 749 OD1 ASP A 49 12.609 1.803 5.790 1.00 0.53 O ATOM 750 OD2 ASP A 49 12.641 0.237 7.331 1.00 1.73 O ATOM 0 H ASP A 49 13.287 1.780 9.311 1.00 0.25 H new ATOM 0 HA ASP A 49 15.491 3.288 8.251 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.152 1.854 6.301 1.00 0.26 H new ATOM 0 HB3 ASP A 49 15.018 0.872 7.746 1.00 0.26 H new ATOM 755 N THR A 50 14.459 4.713 6.381 1.00 0.26 N ATOM 756 CA THR A 50 13.875 5.761 5.551 1.00 0.28 C ATOM 757 C THR A 50 14.166 5.435 4.092 1.00 0.33 C ATOM 758 O THR A 50 15.324 5.301 3.710 1.00 0.44 O ATOM 759 CB THR A 50 14.456 7.146 5.894 1.00 0.36 C ATOM 760 OG1 THR A 50 14.325 7.397 7.298 1.00 0.39 O ATOM 761 CG2 THR A 50 13.748 8.242 5.112 1.00 0.42 C ATOM 0 H THR A 50 15.455 4.560 6.221 1.00 0.26 H new ATOM 0 HA THR A 50 12.801 5.798 5.735 1.00 0.28 H new ATOM 0 HB THR A 50 15.511 7.150 5.619 1.00 0.36 H new ATOM 0 HG1 THR A 50 14.698 8.278 7.509 1.00 0.39 H new ATOM 0 HG21 THR A 50 14.177 9.210 5.372 1.00 0.42 H new ATOM 0 HG22 THR A 50 13.873 8.065 4.044 1.00 0.42 H new ATOM 0 HG23 THR A 50 12.686 8.237 5.359 1.00 0.42 H new ATOM 769 N VAL A 51 13.131 5.308 3.274 1.00 0.29 N ATOM 770 CA VAL A 51 13.338 4.946 1.879 1.00 0.37 C ATOM 771 C VAL A 51 12.674 5.914 0.914 1.00 0.30 C ATOM 772 O VAL A 51 11.661 6.538 1.229 1.00 0.29 O ATOM 773 CB VAL A 51 12.816 3.526 1.595 1.00 0.51 C ATOM 774 CG1 VAL A 51 13.554 2.504 2.446 1.00 0.65 C ATOM 775 CG2 VAL A 51 11.314 3.448 1.836 1.00 0.53 C ATOM 0 H VAL A 51 12.157 5.447 3.544 1.00 0.29 H new ATOM 0 HA VAL A 51 14.415 4.989 1.716 1.00 0.37 H new ATOM 0 HB VAL A 51 13.004 3.294 0.547 1.00 0.51 H new ATOM 0 HG11 VAL A 51 13.171 1.507 2.231 1.00 0.65 H new ATOM 0 HG12 VAL A 51 14.619 2.541 2.217 1.00 0.65 H new ATOM 0 HG13 VAL A 51 13.402 2.731 3.501 1.00 0.65 H new ATOM 0 HG21 VAL A 51 10.964 2.436 1.630 1.00 0.53 H new ATOM 0 HG22 VAL A 51 11.098 3.702 2.874 1.00 0.53 H new ATOM 0 HG23 VAL A 51 10.803 4.150 1.177 1.00 0.53 H new ATOM 785 N THR A 52 13.266 6.023 -0.269 1.00 0.27 N ATOM 786 CA THR A 52 12.742 6.880 -1.319 1.00 0.23 C ATOM 787 C THR A 52 12.282 6.018 -2.483 1.00 0.19 C ATOM 788 O THR A 52 13.072 5.269 -3.060 1.00 0.17 O ATOM 789 CB THR A 52 13.805 7.883 -1.810 1.00 0.26 C ATOM 790 OG1 THR A 52 14.228 8.719 -0.726 1.00 0.32 O ATOM 791 CG2 THR A 52 13.261 8.747 -2.938 1.00 0.26 C ATOM 0 H THR A 52 14.117 5.522 -0.524 1.00 0.27 H new ATOM 0 HA THR A 52 11.904 7.448 -0.914 1.00 0.23 H new ATOM 0 HB THR A 52 14.656 7.316 -2.188 1.00 0.26 H new ATOM 0 HG1 THR A 52 13.750 9.573 -0.766 1.00 0.32 H new ATOM 0 HG21 THR A 52 14.031 9.445 -3.265 1.00 0.26 H new ATOM 0 HG22 THR A 52 12.968 8.112 -3.774 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.393 9.304 -2.584 1.00 0.26 H new ATOM 799 N VAL A 53 11.006 6.121 -2.829 1.00 0.19 N ATOM 800 CA VAL A 53 10.453 5.324 -3.915 1.00 0.18 C ATOM 801 C VAL A 53 9.443 6.114 -4.737 1.00 0.19 C ATOM 802 O VAL A 53 9.128 7.261 -4.426 1.00 0.23 O ATOM 803 CB VAL A 53 9.762 4.054 -3.372 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.624 3.380 -2.317 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.385 4.380 -2.807 1.00 0.24 C ATOM 0 H VAL A 53 10.338 6.745 -2.376 1.00 0.19 H new ATOM 0 HA VAL A 53 11.291 5.045 -4.554 1.00 0.18 H new ATOM 0 HB VAL A 53 9.633 3.362 -4.204 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.117 2.488 -1.949 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.582 3.099 -2.755 1.00 0.22 H new ATOM 0 HG13 VAL A 53 10.792 4.069 -1.490 1.00 0.22 H new ATOM 0 HG21 VAL A 53 7.921 3.468 -2.432 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.486 5.097 -1.993 1.00 0.24 H new ATOM 0 HG23 VAL A 53 7.762 4.808 -3.592 1.00 0.24 H new ATOM 815 N GLU A 54 8.940 5.478 -5.787 1.00 0.18 N ATOM 816 CA GLU A 54 7.947 6.086 -6.661 1.00 0.20 C ATOM 817 C GLU A 54 6.745 5.159 -6.764 1.00 0.20 C ATOM 818 O GLU A 54 6.903 3.960 -6.996 1.00 0.21 O ATOM 819 CB GLU A 54 8.549 6.339 -8.046 1.00 0.24 C ATOM 820 CG GLU A 54 7.631 7.091 -8.995 1.00 1.02 C ATOM 821 CD GLU A 54 8.356 7.576 -10.235 1.00 1.76 C ATOM 822 OE1 GLU A 54 8.547 6.766 -11.167 1.00 2.09 O ATOM 823 OE2 GLU A 54 8.732 8.766 -10.276 1.00 2.40 O ATOM 0 H GLU A 54 9.208 4.531 -6.055 1.00 0.18 H new ATOM 0 HA GLU A 54 7.630 7.044 -6.248 1.00 0.20 H new ATOM 0 HB2 GLU A 54 9.475 6.903 -7.930 1.00 0.24 H new ATOM 0 HB3 GLU A 54 8.813 5.382 -8.496 1.00 0.24 H new ATOM 0 HG2 GLU A 54 6.807 6.442 -9.290 1.00 1.02 H new ATOM 0 HG3 GLU A 54 7.195 7.944 -8.475 1.00 1.02 H new ATOM 830 N TYR A 55 5.544 5.701 -6.597 1.00 0.19 N ATOM 831 CA TYR A 55 4.346 4.874 -6.661 1.00 0.20 C ATOM 832 C TYR A 55 3.170 5.617 -7.270 1.00 0.19 C ATOM 833 O TYR A 55 3.179 6.841 -7.403 1.00 0.21 O ATOM 834 CB TYR A 55 3.960 4.381 -5.260 1.00 0.21 C ATOM 835 CG TYR A 55 3.199 5.398 -4.433 1.00 0.19 C ATOM 836 CD1 TYR A 55 3.832 6.527 -3.931 1.00 0.22 C ATOM 837 CD2 TYR A 55 1.844 5.225 -4.153 1.00 0.20 C ATOM 838 CE1 TYR A 55 3.143 7.457 -3.177 1.00 0.24 C ATOM 839 CE2 TYR A 55 1.146 6.153 -3.398 1.00 0.21 C ATOM 840 CZ TYR A 55 1.802 7.266 -2.913 1.00 0.22 C ATOM 841 OH TYR A 55 1.115 8.192 -2.162 1.00 0.26 O ATOM 0 H TYR A 55 5.375 6.691 -6.419 1.00 0.19 H new ATOM 0 HA TYR A 55 4.581 4.025 -7.303 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.353 3.481 -5.358 1.00 0.21 H new ATOM 0 HB3 TYR A 55 4.866 4.098 -4.724 1.00 0.21 H new ATOM 0 HD1 TYR A 55 4.882 6.681 -4.134 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.330 4.353 -4.531 1.00 0.20 H new ATOM 0 HE1 TYR A 55 3.652 8.330 -2.796 1.00 0.24 H new ATOM 0 HE2 TYR A 55 0.096 6.007 -3.190 1.00 0.21 H new ATOM 0 HH TYR A 55 0.181 7.910 -2.069 1.00 0.26 H new ATOM 851 N THR A 56 2.160 4.846 -7.632 1.00 0.18 N ATOM 852 CA THR A 56 0.935 5.376 -8.200 1.00 0.17 C ATOM 853 C THR A 56 -0.242 4.782 -7.446 1.00 0.14 C ATOM 854 O THR A 56 -0.488 3.578 -7.520 1.00 0.15 O ATOM 855 CB THR A 56 0.807 5.045 -9.700 1.00 0.21 C ATOM 856 OG1 THR A 56 1.933 5.568 -10.414 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.477 5.624 -10.278 1.00 0.21 C ATOM 0 H THR A 56 2.167 3.830 -7.539 1.00 0.18 H new ATOM 0 HA THR A 56 0.950 6.462 -8.105 1.00 0.17 H new ATOM 0 HB THR A 56 0.778 3.961 -9.807 1.00 0.21 H new ATOM 0 HG1 THR A 56 1.846 5.352 -11.366 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.543 5.376 -11.337 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.335 5.203 -9.753 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.474 6.707 -10.158 1.00 0.21 H new ATOM 865 N GLY A 57 -0.969 5.619 -6.721 1.00 0.12 N ATOM 866 CA GLY A 57 -2.081 5.119 -5.945 1.00 0.11 C ATOM 867 C GLY A 57 -3.418 5.556 -6.481 1.00 0.10 C ATOM 868 O GLY A 57 -3.566 6.669 -6.984 1.00 0.10 O ATOM 0 H GLY A 57 -0.810 6.625 -6.657 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -2.042 4.030 -5.925 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -1.980 5.460 -4.915 1.00 0.11 H new ATOM 872 N ARG A 58 -4.393 4.670 -6.373 1.00 0.12 N ATOM 873 CA ARG A 58 -5.739 4.964 -6.829 1.00 0.13 C ATOM 874 C ARG A 58 -6.757 4.252 -5.953 1.00 0.15 C ATOM 875 O ARG A 58 -6.513 3.144 -5.477 1.00 0.19 O ATOM 876 CB ARG A 58 -5.908 4.540 -8.290 1.00 0.18 C ATOM 877 CG ARG A 58 -5.593 3.073 -8.540 1.00 0.90 C ATOM 878 CD ARG A 58 -6.845 2.213 -8.469 1.00 0.40 C ATOM 879 NE ARG A 58 -7.713 2.419 -9.625 1.00 1.00 N ATOM 880 CZ ARG A 58 -8.336 1.435 -10.266 1.00 0.99 C ATOM 881 NH1 ARG A 58 -8.198 0.180 -9.856 1.00 0.89 N ATOM 882 NH2 ARG A 58 -9.099 1.703 -11.317 1.00 1.93 N ATOM 0 H ARG A 58 -4.276 3.739 -5.972 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.906 6.039 -6.756 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -6.933 4.741 -8.601 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -5.259 5.154 -8.915 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -5.129 2.962 -9.520 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -4.869 2.725 -7.803 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -6.561 1.162 -8.411 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -7.394 2.446 -7.557 1.00 0.40 H new ATOM 0 HE ARG A 58 -7.849 3.373 -9.960 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -7.613 -0.031 -9.048 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -8.677 -0.573 -10.349 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -9.209 2.666 -11.635 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -9.576 0.946 -11.807 1.00 1.93 H new ATOM 896 N LEU A 59 -7.907 4.880 -5.765 1.00 0.16 N ATOM 897 CA LEU A 59 -8.960 4.301 -4.947 1.00 0.19 C ATOM 898 C LEU A 59 -9.734 3.261 -5.741 1.00 0.20 C ATOM 899 O LEU A 59 -9.730 3.282 -6.971 1.00 0.22 O ATOM 900 CB LEU A 59 -9.918 5.393 -4.463 1.00 0.22 C ATOM 901 CG LEU A 59 -9.387 6.282 -3.339 1.00 0.78 C ATOM 902 CD1 LEU A 59 -9.991 7.676 -3.429 1.00 1.21 C ATOM 903 CD2 LEU A 59 -9.690 5.661 -1.983 1.00 1.07 C ATOM 0 H LEU A 59 -8.134 5.789 -6.167 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.499 3.821 -4.084 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -10.178 6.026 -5.311 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.839 4.920 -4.124 1.00 0.22 H new ATOM 0 HG LEU A 59 -8.306 6.367 -3.449 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -9.601 8.294 -2.621 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -9.730 8.125 -4.387 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -11.076 7.609 -3.344 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -9.305 6.306 -1.193 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -10.768 5.549 -1.867 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -9.214 4.683 -1.916 1.00 1.07 H new ATOM 915 N ILE A 60 -10.392 2.347 -5.033 1.00 0.25 N ATOM 916 CA ILE A 60 -11.191 1.317 -5.686 1.00 0.28 C ATOM 917 C ILE A 60 -12.272 1.976 -6.533 1.00 0.29 C ATOM 918 O ILE A 60 -12.936 1.326 -7.342 1.00 0.32 O ATOM 919 CB ILE A 60 -11.843 0.368 -4.655 1.00 0.34 C ATOM 920 CG1 ILE A 60 -12.565 -0.789 -5.354 1.00 0.64 C ATOM 921 CG2 ILE A 60 -12.806 1.134 -3.761 1.00 0.61 C ATOM 922 CD1 ILE A 60 -11.643 -1.691 -6.146 1.00 0.52 C ATOM 0 H ILE A 60 -10.388 2.299 -4.014 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.531 0.723 -6.318 1.00 0.28 H new ATOM 0 HB ILE A 60 -11.052 -0.052 -4.034 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -13.087 -1.385 -4.606 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -13.323 -0.382 -6.023 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.256 0.450 -3.041 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -12.265 1.916 -3.229 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.588 1.585 -4.371 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -12.224 -2.486 -6.612 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -11.140 -1.109 -6.918 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -10.900 -2.128 -5.479 1.00 0.52 H new ATOM 934 N ASP A 61 -12.426 3.283 -6.341 1.00 0.30 N ATOM 935 CA ASP A 61 -13.415 4.059 -7.077 1.00 0.36 C ATOM 936 C ASP A 61 -13.061 4.115 -8.559 1.00 0.36 C ATOM 937 O ASP A 61 -13.859 4.565 -9.381 1.00 0.42 O ATOM 938 CB ASP A 61 -13.507 5.475 -6.504 1.00 0.40 C ATOM 939 CG ASP A 61 -14.612 6.290 -7.146 1.00 1.07 C ATOM 940 OD1 ASP A 61 -15.767 6.197 -6.679 1.00 0.95 O ATOM 941 OD2 ASP A 61 -14.324 7.020 -8.118 1.00 2.01 O ATOM 0 H ASP A 61 -11.875 3.828 -5.678 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.384 3.570 -6.972 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -13.679 5.418 -5.429 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -12.554 5.984 -6.647 1.00 0.40 H new ATOM 946 N GLY A 62 -11.859 3.651 -8.895 1.00 0.31 N ATOM 947 CA GLY A 62 -11.431 3.651 -10.279 1.00 0.37 C ATOM 948 C GLY A 62 -10.694 4.916 -10.680 1.00 0.38 C ATOM 949 O GLY A 62 -10.269 5.046 -11.829 1.00 0.45 O ATOM 0 H GLY A 62 -11.178 3.277 -8.234 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -10.783 2.791 -10.452 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -12.303 3.528 -10.922 1.00 0.37 H new ATOM 953 N THR A 63 -10.534 5.853 -9.747 1.00 0.33 N ATOM 954 CA THR A 63 -9.867 7.111 -10.048 1.00 0.37 C ATOM 955 C THR A 63 -8.650 7.331 -9.157 1.00 0.31 C ATOM 956 O THR A 63 -8.682 7.052 -7.959 1.00 0.30 O ATOM 957 CB THR A 63 -10.828 8.303 -9.887 1.00 0.44 C ATOM 958 OG1 THR A 63 -10.135 9.531 -10.141 1.00 1.40 O ATOM 959 CG2 THR A 63 -11.426 8.332 -8.488 1.00 1.28 C ATOM 0 H THR A 63 -10.856 5.763 -8.783 1.00 0.33 H new ATOM 0 HA THR A 63 -9.538 7.048 -11.085 1.00 0.37 H new ATOM 0 HB THR A 63 -11.637 8.188 -10.608 1.00 0.44 H new ATOM 0 HG1 THR A 63 -10.754 10.283 -10.038 1.00 1.40 H new ATOM 0 HG21 THR A 63 -12.101 9.183 -8.399 1.00 1.28 H new ATOM 0 HG22 THR A 63 -11.979 7.410 -8.309 1.00 1.28 H new ATOM 0 HG23 THR A 63 -10.627 8.424 -7.753 1.00 1.28 H new ATOM 967 N VAL A 64 -7.578 7.831 -9.761 1.00 0.28 N ATOM 968 CA VAL A 64 -6.350 8.110 -9.042 1.00 0.22 C ATOM 969 C VAL A 64 -6.572 9.245 -8.056 1.00 0.20 C ATOM 970 O VAL A 64 -7.157 10.274 -8.400 1.00 0.23 O ATOM 971 CB VAL A 64 -5.210 8.485 -10.010 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.627 9.637 -10.913 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.942 8.833 -9.244 1.00 0.18 C ATOM 0 H VAL A 64 -7.540 8.052 -10.756 1.00 0.28 H new ATOM 0 HA VAL A 64 -6.063 7.207 -8.504 1.00 0.22 H new ATOM 0 HB VAL A 64 -5.000 7.619 -10.638 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.808 9.885 -11.588 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -6.501 9.345 -11.495 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.871 10.507 -10.304 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -3.152 9.094 -9.948 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -4.136 9.680 -8.585 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.629 7.975 -8.649 1.00 0.18 H new ATOM 983 N PHE A 65 -6.106 9.057 -6.832 1.00 0.18 N ATOM 984 CA PHE A 65 -6.267 10.074 -5.805 1.00 0.20 C ATOM 985 C PHE A 65 -5.005 10.930 -5.659 1.00 0.20 C ATOM 986 O PHE A 65 -5.083 12.092 -5.256 1.00 0.24 O ATOM 987 CB PHE A 65 -6.676 9.428 -4.460 1.00 0.21 C ATOM 988 CG PHE A 65 -5.703 8.436 -3.857 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.494 8.125 -4.456 1.00 0.15 C ATOM 990 CD2 PHE A 65 -6.007 7.832 -2.654 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.613 7.244 -3.872 1.00 0.15 C ATOM 992 CE2 PHE A 65 -5.132 6.940 -2.069 1.00 0.18 C ATOM 993 CZ PHE A 65 -3.930 6.647 -2.680 1.00 0.17 C ATOM 0 H PHE A 65 -5.617 8.216 -6.526 1.00 0.18 H new ATOM 0 HA PHE A 65 -7.070 10.743 -6.115 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.841 10.226 -3.736 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.632 8.924 -4.602 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -4.237 8.583 -5.400 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -6.942 8.061 -2.164 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.672 7.023 -4.353 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.388 6.470 -1.131 1.00 0.18 H new ATOM 0 HZ PHE A 65 -3.243 5.951 -2.221 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.849 10.355 -5.992 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.581 11.061 -5.904 1.00 0.19 C ATOM 1005 C ASP A 66 -1.442 10.182 -6.411 1.00 0.17 C ATOM 1006 O ASP A 66 -1.318 9.026 -6.007 1.00 0.18 O ATOM 1007 CB ASP A 66 -2.303 11.500 -4.463 1.00 0.25 C ATOM 1008 CG ASP A 66 -0.997 12.259 -4.330 1.00 0.27 C ATOM 1009 OD1 ASP A 66 -0.989 13.478 -4.603 1.00 0.30 O ATOM 1010 OD2 ASP A 66 0.016 11.634 -3.952 1.00 0.30 O ATOM 0 H ASP A 66 -3.770 9.395 -6.327 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.645 11.950 -6.532 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -3.122 12.128 -4.113 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -2.277 10.622 -3.818 1.00 0.25 H new ATOM 1015 N SER A 67 -0.616 10.728 -7.291 1.00 0.17 N ATOM 1016 CA SER A 67 0.513 9.981 -7.834 1.00 0.19 C ATOM 1017 C SER A 67 1.784 10.827 -7.833 1.00 0.18 C ATOM 1018 O SER A 67 1.811 11.924 -8.390 1.00 0.22 O ATOM 1019 CB SER A 67 0.204 9.504 -9.254 1.00 0.25 C ATOM 1020 OG SER A 67 -0.907 8.626 -9.265 1.00 1.30 O ATOM 0 H SER A 67 -0.704 11.681 -7.644 1.00 0.17 H new ATOM 0 HA SER A 67 0.678 9.113 -7.195 1.00 0.19 H new ATOM 0 HB2 SER A 67 -0.001 10.363 -9.893 1.00 0.25 H new ATOM 0 HB3 SER A 67 1.076 8.998 -9.669 1.00 0.25 H new ATOM 0 HG SER A 67 -0.809 7.966 -8.547 1.00 1.30 H new ATOM 1026 N THR A 68 2.835 10.308 -7.200 1.00 0.19 N ATOM 1027 CA THR A 68 4.110 11.013 -7.127 1.00 0.21 C ATOM 1028 C THR A 68 4.954 10.713 -8.360 1.00 0.28 C ATOM 1029 O THR A 68 5.954 11.379 -8.622 1.00 0.34 O ATOM 1030 CB THR A 68 4.897 10.619 -5.861 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.188 9.215 -5.882 1.00 0.27 O ATOM 1032 CG2 THR A 68 4.102 10.954 -4.607 1.00 0.28 C ATOM 0 H THR A 68 2.827 9.402 -6.731 1.00 0.19 H new ATOM 0 HA THR A 68 3.893 12.080 -7.084 1.00 0.21 H new ATOM 0 HB THR A 68 5.829 11.184 -5.848 1.00 0.20 H new ATOM 0 HG1 THR A 68 4.614 8.752 -5.236 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.676 10.668 -3.725 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.902 12.025 -4.578 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.158 10.409 -4.618 1.00 0.28 H new ATOM 1040 N GLU A 69 4.535 9.702 -9.113 1.00 0.42 N ATOM 1041 CA GLU A 69 5.230 9.293 -10.321 1.00 0.56 C ATOM 1042 C GLU A 69 4.977 10.271 -11.464 1.00 0.66 C ATOM 1043 O GLU A 69 5.910 10.707 -12.139 1.00 0.75 O ATOM 1044 CB GLU A 69 4.758 7.897 -10.713 1.00 0.75 C ATOM 1045 CG GLU A 69 5.545 7.278 -11.847 1.00 1.17 C ATOM 1046 CD GLU A 69 4.861 7.435 -13.192 1.00 1.66 C ATOM 1047 OE1 GLU A 69 4.043 6.561 -13.549 1.00 2.05 O ATOM 1048 OE2 GLU A 69 5.144 8.433 -13.888 1.00 2.11 O ATOM 0 H GLU A 69 3.706 9.146 -8.901 1.00 0.42 H new ATOM 0 HA GLU A 69 6.302 9.285 -10.125 1.00 0.56 H new ATOM 0 HB2 GLU A 69 4.822 7.245 -9.842 1.00 0.75 H new ATOM 0 HB3 GLU A 69 3.707 7.947 -10.998 1.00 0.75 H new ATOM 0 HG2 GLU A 69 6.532 7.737 -11.891 1.00 1.17 H new ATOM 0 HG3 GLU A 69 5.695 6.218 -11.643 1.00 1.17 H new ATOM 1055 N LYS A 70 3.709 10.610 -11.674 1.00 0.69 N ATOM 1056 CA LYS A 70 3.325 11.528 -12.741 1.00 0.84 C ATOM 1057 C LYS A 70 3.895 12.924 -12.507 1.00 0.85 C ATOM 1058 O LYS A 70 4.304 13.601 -13.450 1.00 1.01 O ATOM 1059 CB LYS A 70 1.801 11.595 -12.854 1.00 0.91 C ATOM 1060 CG LYS A 70 1.309 12.529 -13.949 1.00 1.63 C ATOM 1061 CD LYS A 70 -0.209 12.530 -14.037 1.00 1.87 C ATOM 1062 CE LYS A 70 -0.705 13.519 -15.081 1.00 2.76 C ATOM 1063 NZ LYS A 70 -0.176 13.206 -16.436 1.00 3.41 N ATOM 0 H LYS A 70 2.928 10.262 -11.118 1.00 0.69 H new ATOM 0 HA LYS A 70 3.739 11.148 -13.675 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.415 10.593 -13.043 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.389 11.920 -11.899 1.00 0.91 H new ATOM 0 HG2 LYS A 70 1.664 13.541 -13.753 1.00 1.63 H new ATOM 0 HG3 LYS A 70 1.730 12.223 -14.907 1.00 1.63 H new ATOM 0 HD2 LYS A 70 -0.561 11.529 -14.286 1.00 1.87 H new ATOM 0 HD3 LYS A 70 -0.631 12.783 -13.064 1.00 1.87 H new ATOM 0 HE2 LYS A 70 -1.795 13.506 -15.105 1.00 2.76 H new ATOM 0 HE3 LYS A 70 -0.404 14.528 -14.798 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 -0.676 13.779 -17.145 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 0.841 13.423 -16.470 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 -0.322 12.197 -16.641 1.00 3.41 H new ATOM 1077 N THR A 71 3.919 13.351 -11.248 1.00 0.73 N ATOM 1078 CA THR A 71 4.440 14.668 -10.898 1.00 0.82 C ATOM 1079 C THR A 71 5.905 14.813 -11.302 1.00 0.82 C ATOM 1080 O THR A 71 6.441 15.921 -11.338 1.00 0.97 O ATOM 1081 CB THR A 71 4.307 14.943 -9.388 1.00 0.76 C ATOM 1082 OG1 THR A 71 4.976 13.920 -8.641 1.00 1.25 O ATOM 1083 CG2 THR A 71 2.844 15.005 -8.976 1.00 1.47 C ATOM 0 H THR A 71 3.584 12.805 -10.454 1.00 0.73 H new ATOM 0 HA THR A 71 3.843 15.396 -11.448 1.00 0.82 H new ATOM 0 HB THR A 71 4.769 15.907 -9.175 1.00 0.76 H new ATOM 0 HG1 THR A 71 5.187 13.168 -9.233 1.00 1.25 H new ATOM 0 HG21 THR A 71 2.775 15.200 -7.906 1.00 1.47 H new ATOM 0 HG22 THR A 71 2.345 15.805 -9.523 1.00 1.47 H new ATOM 0 HG23 THR A 71 2.361 14.054 -9.203 1.00 1.47 H new ATOM 1091 N GLY A 72 6.544 13.688 -11.606 1.00 0.69 N ATOM 1092 CA GLY A 72 7.940 13.711 -12.006 1.00 0.70 C ATOM 1093 C GLY A 72 8.882 13.848 -10.827 1.00 0.60 C ATOM 1094 O GLY A 72 10.087 14.031 -11.006 1.00 0.60 O ATOM 0 H GLY A 72 6.120 12.760 -11.583 1.00 0.69 H new ATOM 0 HA2 GLY A 72 8.174 12.795 -12.548 1.00 0.70 H new ATOM 0 HA3 GLY A 72 8.103 14.540 -12.695 1.00 0.70 H new ATOM 1098 N LYS A 73 8.333 13.760 -9.620 1.00 0.54 N ATOM 1099 CA LYS A 73 9.132 13.874 -8.406 1.00 0.49 C ATOM 1100 C LYS A 73 8.959 12.637 -7.521 1.00 0.40 C ATOM 1101 O LYS A 73 7.852 12.349 -7.067 1.00 0.43 O ATOM 1102 CB LYS A 73 8.730 15.128 -7.627 1.00 0.60 C ATOM 1103 CG LYS A 73 8.957 16.426 -8.388 1.00 1.47 C ATOM 1104 CD LYS A 73 10.429 16.645 -8.701 1.00 1.89 C ATOM 1105 CE LYS A 73 10.665 18.002 -9.345 1.00 2.37 C ATOM 1106 NZ LYS A 73 9.901 18.157 -10.614 1.00 3.05 N ATOM 0 H LYS A 73 7.337 13.610 -9.457 1.00 0.54 H new ATOM 0 HA LYS A 73 10.180 13.950 -8.695 1.00 0.49 H new ATOM 0 HB2 LYS A 73 7.676 15.055 -7.359 1.00 0.60 H new ATOM 0 HB3 LYS A 73 9.294 15.161 -6.695 1.00 0.60 H new ATOM 0 HG2 LYS A 73 8.386 16.408 -9.317 1.00 1.47 H new ATOM 0 HG3 LYS A 73 8.582 17.263 -7.799 1.00 1.47 H new ATOM 0 HD2 LYS A 73 11.012 16.570 -7.783 1.00 1.89 H new ATOM 0 HD3 LYS A 73 10.781 15.858 -9.368 1.00 1.89 H new ATOM 0 HE2 LYS A 73 10.375 18.789 -8.649 1.00 2.37 H new ATOM 0 HE3 LYS A 73 11.729 18.129 -9.545 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 10.204 19.026 -11.098 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 10.080 17.338 -11.229 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 8.884 18.215 -10.402 1.00 3.05 H new ATOM 1120 N PRO A 74 10.050 11.885 -7.262 1.00 0.33 N ATOM 1121 CA PRO A 74 9.994 10.677 -6.428 1.00 0.29 C ATOM 1122 C PRO A 74 9.409 10.950 -5.046 1.00 0.24 C ATOM 1123 O PRO A 74 9.543 12.052 -4.512 1.00 0.27 O ATOM 1124 CB PRO A 74 11.460 10.247 -6.312 1.00 0.33 C ATOM 1125 CG PRO A 74 12.130 10.851 -7.496 1.00 0.51 C ATOM 1126 CD PRO A 74 11.416 12.148 -7.754 1.00 0.38 C ATOM 0 HA PRO A 74 9.348 9.916 -6.865 1.00 0.29 H new ATOM 0 HB2 PRO A 74 11.904 10.603 -5.382 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.555 9.161 -6.315 1.00 0.33 H new ATOM 0 HG2 PRO A 74 13.189 11.020 -7.302 1.00 0.51 H new ATOM 0 HG3 PRO A 74 12.066 10.191 -8.361 1.00 0.51 H new ATOM 0 HD2 PRO A 74 11.883 12.977 -7.222 1.00 0.38 H new ATOM 0 HD3 PRO A 74 11.420 12.406 -8.813 1.00 0.38 H new ATOM 1134 N ALA A 75 8.760 9.941 -4.475 1.00 0.21 N ATOM 1135 CA ALA A 75 8.153 10.068 -3.155 1.00 0.19 C ATOM 1136 C ALA A 75 9.092 9.566 -2.061 1.00 0.18 C ATOM 1137 O ALA A 75 9.584 8.441 -2.122 1.00 0.19 O ATOM 1138 CB ALA A 75 6.837 9.312 -3.102 1.00 0.23 C ATOM 0 H ALA A 75 8.641 9.025 -4.907 1.00 0.21 H new ATOM 0 HA ALA A 75 7.962 11.126 -2.977 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.397 9.417 -2.110 1.00 0.23 H new ATOM 0 HB2 ALA A 75 6.153 9.719 -3.847 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.015 8.257 -3.310 1.00 0.23 H new ATOM 1144 N THR A 76 9.336 10.406 -1.061 1.00 0.18 N ATOM 1145 CA THR A 76 10.216 10.044 0.047 1.00 0.18 C ATOM 1146 C THR A 76 9.458 10.056 1.370 1.00 0.21 C ATOM 1147 O THR A 76 8.988 11.103 1.817 1.00 0.26 O ATOM 1148 CB THR A 76 11.417 11.004 0.145 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.140 11.012 -1.091 1.00 1.15 O ATOM 1150 CG2 THR A 76 12.347 10.596 1.277 1.00 1.26 C ATOM 0 H THR A 76 8.937 11.342 -0.994 1.00 0.18 H new ATOM 0 HA THR A 76 10.583 9.037 -0.151 1.00 0.18 H new ATOM 0 HB THR A 76 11.037 12.004 0.351 1.00 0.21 H new ATOM 0 HG1 THR A 76 12.901 11.626 -1.021 1.00 1.15 H new ATOM 0 HG21 THR A 76 13.187 11.289 1.326 1.00 1.26 H new ATOM 0 HG22 THR A 76 11.803 10.619 2.221 1.00 1.26 H new ATOM 0 HG23 THR A 76 12.719 9.587 1.097 1.00 1.26 H new ATOM 1158 N PHE A 77 9.343 8.889 1.993 1.00 0.20 N ATOM 1159 CA PHE A 77 8.635 8.768 3.262 1.00 0.26 C ATOM 1160 C PHE A 77 9.203 7.632 4.111 1.00 0.26 C ATOM 1161 O PHE A 77 9.684 6.629 3.585 1.00 0.29 O ATOM 1162 CB PHE A 77 7.145 8.535 3.009 1.00 0.28 C ATOM 1163 CG PHE A 77 6.869 7.401 2.062 1.00 0.26 C ATOM 1164 CD1 PHE A 77 6.738 6.103 2.532 1.00 0.32 C ATOM 1165 CD2 PHE A 77 6.742 7.632 0.700 1.00 0.25 C ATOM 1166 CE1 PHE A 77 6.486 5.059 1.663 1.00 0.36 C ATOM 1167 CE2 PHE A 77 6.491 6.591 -0.173 1.00 0.29 C ATOM 1168 CZ PHE A 77 6.362 5.304 0.308 1.00 0.34 C ATOM 0 H PHE A 77 9.730 8.014 1.641 1.00 0.20 H new ATOM 0 HA PHE A 77 8.769 9.699 3.812 1.00 0.26 H new ATOM 0 HB2 PHE A 77 6.650 8.333 3.959 1.00 0.28 H new ATOM 0 HB3 PHE A 77 6.705 9.448 2.608 1.00 0.28 H new ATOM 0 HD1 PHE A 77 6.834 5.906 3.590 1.00 0.32 H new ATOM 0 HD2 PHE A 77 6.840 8.637 0.318 1.00 0.25 H new ATOM 0 HE1 PHE A 77 6.386 4.053 2.042 1.00 0.36 H new ATOM 0 HE2 PHE A 77 6.396 6.784 -1.231 1.00 0.29 H new ATOM 0 HZ PHE A 77 6.164 4.489 -0.373 1.00 0.34 H new ATOM 1178 N GLN A 78 9.138 7.805 5.429 1.00 0.30 N ATOM 1179 CA GLN A 78 9.628 6.800 6.367 1.00 0.36 C ATOM 1180 C GLN A 78 8.578 5.710 6.564 1.00 0.31 C ATOM 1181 O GLN A 78 7.379 5.991 6.614 1.00 0.35 O ATOM 1182 CB GLN A 78 9.955 7.458 7.710 1.00 0.52 C ATOM 1183 CG GLN A 78 11.404 7.292 8.139 1.00 1.03 C ATOM 1184 CD GLN A 78 11.579 6.253 9.230 1.00 1.02 C ATOM 1185 OE1 GLN A 78 12.477 6.360 10.065 1.00 1.58 O ATOM 1186 NE2 GLN A 78 10.724 5.237 9.228 1.00 1.00 N ATOM 0 H GLN A 78 8.748 8.637 5.873 1.00 0.30 H new ATOM 0 HA GLN A 78 10.533 6.348 5.961 1.00 0.36 H new ATOM 0 HB2 GLN A 78 9.724 8.521 7.649 1.00 0.52 H new ATOM 0 HB3 GLN A 78 9.308 7.035 8.478 1.00 0.52 H new ATOM 0 HG2 GLN A 78 12.004 7.009 7.274 1.00 1.03 H new ATOM 0 HG3 GLN A 78 11.786 8.250 8.492 1.00 1.03 H new ATOM 0 HE21 GLN A 78 9.994 5.186 8.518 1.00 1.00 H new ATOM 0 HE22 GLN A 78 10.797 4.507 9.937 1.00 1.00 H new ATOM 1195 N VAL A 79 9.034 4.468 6.676 1.00 0.30 N ATOM 1196 CA VAL A 79 8.140 3.327 6.852 1.00 0.31 C ATOM 1197 C VAL A 79 7.372 3.395 8.174 1.00 0.32 C ATOM 1198 O VAL A 79 6.288 2.826 8.297 1.00 0.42 O ATOM 1199 CB VAL A 79 8.924 1.999 6.782 1.00 0.36 C ATOM 1200 CG1 VAL A 79 10.135 2.052 7.694 1.00 1.07 C ATOM 1201 CG2 VAL A 79 8.035 0.817 7.144 1.00 0.90 C ATOM 0 H VAL A 79 10.024 4.223 6.648 1.00 0.30 H new ATOM 0 HA VAL A 79 7.418 3.367 6.037 1.00 0.31 H new ATOM 0 HB VAL A 79 9.264 1.861 5.756 1.00 0.36 H new ATOM 0 HG11 VAL A 79 10.677 1.109 7.634 1.00 1.07 H new ATOM 0 HG12 VAL A 79 10.789 2.867 7.384 1.00 1.07 H new ATOM 0 HG13 VAL A 79 9.810 2.219 8.721 1.00 1.07 H new ATOM 0 HG21 VAL A 79 8.614 -0.105 7.086 1.00 0.90 H new ATOM 0 HG22 VAL A 79 7.656 0.944 8.158 1.00 0.90 H new ATOM 0 HG23 VAL A 79 7.198 0.764 6.447 1.00 0.90 H new ATOM 1211 N SER A 80 7.929 4.095 9.157 1.00 0.30 N ATOM 1212 CA SER A 80 7.288 4.212 10.466 1.00 0.36 C ATOM 1213 C SER A 80 6.373 5.432 10.540 1.00 0.34 C ATOM 1214 O SER A 80 5.617 5.591 11.498 1.00 0.42 O ATOM 1215 CB SER A 80 8.345 4.290 11.568 1.00 0.46 C ATOM 1216 OG SER A 80 7.742 4.401 12.846 1.00 1.14 O ATOM 0 H SER A 80 8.818 4.588 9.075 1.00 0.30 H new ATOM 0 HA SER A 80 6.675 3.322 10.612 1.00 0.36 H new ATOM 0 HB2 SER A 80 8.975 3.401 11.536 1.00 0.46 H new ATOM 0 HB3 SER A 80 8.995 5.148 11.393 1.00 0.46 H new ATOM 0 HG SER A 80 6.865 4.830 12.758 1.00 1.14 H new ATOM 1222 N GLN A 81 6.443 6.290 9.529 1.00 0.31 N ATOM 1223 CA GLN A 81 5.623 7.500 9.494 1.00 0.36 C ATOM 1224 C GLN A 81 4.300 7.274 8.762 1.00 0.32 C ATOM 1225 O GLN A 81 3.538 8.217 8.547 1.00 0.37 O ATOM 1226 CB GLN A 81 6.393 8.644 8.830 1.00 0.46 C ATOM 1227 CG GLN A 81 7.597 9.113 9.632 1.00 1.09 C ATOM 1228 CD GLN A 81 8.322 10.269 8.972 1.00 1.48 C ATOM 1229 OE1 GLN A 81 7.716 11.080 8.271 1.00 2.08 O ATOM 1230 NE2 GLN A 81 9.629 10.350 9.193 1.00 1.80 N ATOM 0 H GLN A 81 7.057 6.173 8.723 1.00 0.31 H new ATOM 0 HA GLN A 81 5.392 7.765 10.526 1.00 0.36 H new ATOM 0 HB2 GLN A 81 6.727 8.322 7.844 1.00 0.46 H new ATOM 0 HB3 GLN A 81 5.717 9.486 8.679 1.00 0.46 H new ATOM 0 HG2 GLN A 81 7.271 9.414 10.628 1.00 1.09 H new ATOM 0 HG3 GLN A 81 8.289 8.281 9.761 1.00 1.09 H new ATOM 0 HE21 GLN A 81 10.091 9.656 9.781 1.00 1.80 H new ATOM 0 HE22 GLN A 81 10.171 11.106 8.775 1.00 1.80 H new ATOM 1239 N VAL A 82 4.026 6.030 8.378 1.00 0.26 N ATOM 1240 CA VAL A 82 2.793 5.713 7.660 1.00 0.26 C ATOM 1241 C VAL A 82 1.884 4.774 8.455 1.00 0.24 C ATOM 1242 O VAL A 82 2.200 4.392 9.582 1.00 0.24 O ATOM 1243 CB VAL A 82 3.092 5.086 6.288 1.00 0.30 C ATOM 1244 CG1 VAL A 82 3.627 6.140 5.329 1.00 0.45 C ATOM 1245 CG2 VAL A 82 4.076 3.937 6.431 1.00 0.25 C ATOM 0 H VAL A 82 4.635 5.230 8.550 1.00 0.26 H new ATOM 0 HA VAL A 82 2.271 6.660 7.520 1.00 0.26 H new ATOM 0 HB VAL A 82 2.164 4.689 5.877 1.00 0.30 H new ATOM 0 HG11 VAL A 82 3.834 5.681 4.362 1.00 0.45 H new ATOM 0 HG12 VAL A 82 2.885 6.929 5.205 1.00 0.45 H new ATOM 0 HG13 VAL A 82 4.546 6.566 5.732 1.00 0.45 H new ATOM 0 HG21 VAL A 82 4.276 3.505 5.450 1.00 0.25 H new ATOM 0 HG22 VAL A 82 5.007 4.306 6.862 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.652 3.174 7.084 1.00 0.25 H new ATOM 1255 N ILE A 83 0.750 4.411 7.852 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.225 3.526 8.486 1.00 0.26 C ATOM 1257 C ILE A 83 0.397 2.189 8.901 1.00 0.26 C ATOM 1258 O ILE A 83 1.400 1.766 8.330 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.415 3.256 7.545 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -0.911 2.778 6.179 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.265 4.511 7.398 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -2.017 2.353 5.237 1.00 0.75 C ATOM 0 H ILE A 83 0.484 4.720 6.917 1.00 0.25 H new ATOM 0 HA ILE A 83 -0.574 4.039 9.382 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.036 2.470 7.976 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.337 3.579 5.713 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -0.229 1.940 6.326 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.102 4.307 6.731 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -2.644 4.810 8.375 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -1.658 5.315 6.983 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -1.584 2.028 4.291 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -2.578 1.531 5.682 1.00 0.75 H new ATOM 0 HD13 ILE A 83 -2.687 3.194 5.059 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.204 1.504 9.901 1.00 0.32 N ATOM 1275 CA PRO A 84 0.293 0.216 10.407 1.00 0.34 C ATOM 1276 C PRO A 84 0.609 -0.784 9.297 1.00 0.31 C ATOM 1277 O PRO A 84 1.749 -1.237 9.169 1.00 0.32 O ATOM 1278 CB PRO A 84 -0.859 -0.308 11.283 1.00 0.43 C ATOM 1279 CG PRO A 84 -2.011 0.614 11.039 1.00 0.65 C ATOM 1280 CD PRO A 84 -1.414 1.924 10.619 1.00 0.41 C ATOM 0 HA PRO A 84 1.233 0.344 10.943 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -1.116 -1.333 11.018 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -0.578 -0.312 12.336 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -2.669 0.219 10.264 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -2.614 0.731 11.940 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.090 2.492 9.979 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.179 2.556 11.475 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.401 -1.134 8.503 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.196 -2.078 7.419 1.00 0.31 C ATOM 1290 C GLY A 85 1.076 -1.786 6.636 1.00 0.27 C ATOM 1291 O GLY A 85 1.897 -2.674 6.409 1.00 0.28 O ATOM 0 H GLY A 85 -1.354 -0.782 8.591 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.148 -3.089 7.824 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.052 -2.046 6.744 1.00 0.31 H new ATOM 1295 N TRP A 86 1.253 -0.528 6.249 1.00 0.25 N ATOM 1296 CA TRP A 86 2.424 -0.122 5.480 1.00 0.25 C ATOM 1297 C TRP A 86 3.723 -0.338 6.257 1.00 0.24 C ATOM 1298 O TRP A 86 4.739 -0.712 5.675 1.00 0.30 O ATOM 1299 CB TRP A 86 2.301 1.346 5.057 1.00 0.25 C ATOM 1300 CG TRP A 86 1.816 1.534 3.645 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.957 0.727 2.953 1.00 0.26 C ATOM 1302 CD2 TRP A 86 2.162 2.604 2.757 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.757 1.226 1.686 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.483 2.378 1.545 1.00 0.28 C ATOM 1305 CE3 TRP A 86 2.981 3.730 2.869 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 1.600 3.238 0.455 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 3.094 4.583 1.788 1.00 0.78 C ATOM 1308 CH2 TRP A 86 2.407 4.333 0.595 1.00 0.70 C ATOM 0 H TRP A 86 0.601 0.229 6.455 1.00 0.25 H new ATOM 0 HA TRP A 86 2.463 -0.752 4.591 1.00 0.25 H new ATOM 0 HB2 TRP A 86 1.617 1.854 5.737 1.00 0.25 H new ATOM 0 HB3 TRP A 86 3.273 1.828 5.164 1.00 0.25 H new ATOM 0 HD1 TRP A 86 0.502 -0.171 3.343 1.00 0.26 H new ATOM 0 HE1 TRP A 86 0.165 0.806 0.969 1.00 0.19 H new ATOM 0 HE3 TRP A 86 3.517 3.930 3.785 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 1.072 3.047 -0.468 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 3.723 5.457 1.865 1.00 0.78 H new ATOM 0 HH2 TRP A 86 2.516 5.019 -0.232 1.00 0.70 H new ATOM 1319 N THR A 87 3.696 -0.112 7.570 1.00 0.23 N ATOM 1320 CA THR A 87 4.895 -0.283 8.389 1.00 0.26 C ATOM 1321 C THR A 87 5.440 -1.707 8.298 1.00 0.25 C ATOM 1322 O THR A 87 6.652 -1.911 8.238 1.00 0.26 O ATOM 1323 CB THR A 87 4.643 0.054 9.875 1.00 0.33 C ATOM 1324 OG1 THR A 87 3.804 -0.938 10.474 1.00 1.40 O ATOM 1325 CG2 THR A 87 4.003 1.425 10.023 1.00 1.25 C ATOM 0 H THR A 87 2.867 0.186 8.084 1.00 0.23 H new ATOM 0 HA THR A 87 5.629 0.416 7.988 1.00 0.26 H new ATOM 0 HB THR A 87 5.607 0.065 10.384 1.00 0.33 H new ATOM 0 HG1 THR A 87 3.127 -1.228 9.827 1.00 1.40 H new ATOM 0 HG21 THR A 87 3.837 1.637 11.079 1.00 1.25 H new ATOM 0 HG22 THR A 87 4.663 2.182 9.601 1.00 1.25 H new ATOM 0 HG23 THR A 87 3.049 1.440 9.495 1.00 1.25 H new ATOM 1333 N GLU A 88 4.542 -2.686 8.291 1.00 0.25 N ATOM 1334 CA GLU A 88 4.943 -4.092 8.221 1.00 0.28 C ATOM 1335 C GLU A 88 5.510 -4.471 6.853 1.00 0.28 C ATOM 1336 O GLU A 88 6.598 -5.038 6.763 1.00 0.34 O ATOM 1337 CB GLU A 88 3.758 -5.001 8.547 1.00 0.33 C ATOM 1338 CG GLU A 88 3.644 -5.355 10.020 1.00 0.69 C ATOM 1339 CD GLU A 88 4.882 -6.047 10.555 1.00 0.86 C ATOM 1340 OE1 GLU A 88 4.941 -7.293 10.491 1.00 1.43 O ATOM 1341 OE2 GLU A 88 5.793 -5.342 11.041 1.00 1.15 O ATOM 0 H GLU A 88 3.534 -2.536 8.333 1.00 0.25 H new ATOM 0 HA GLU A 88 5.733 -4.229 8.959 1.00 0.28 H new ATOM 0 HB2 GLU A 88 2.838 -4.511 8.228 1.00 0.33 H new ATOM 0 HB3 GLU A 88 3.847 -5.920 7.968 1.00 0.33 H new ATOM 0 HG2 GLU A 88 3.464 -4.446 10.595 1.00 0.69 H new ATOM 0 HG3 GLU A 88 2.779 -6.002 10.168 1.00 0.69 H new ATOM 1348 N ALA A 89 4.771 -4.158 5.794 1.00 0.26 N ATOM 1349 CA ALA A 89 5.197 -4.501 4.440 1.00 0.29 C ATOM 1350 C ALA A 89 6.460 -3.751 4.020 1.00 0.29 C ATOM 1351 O ALA A 89 7.432 -4.359 3.571 1.00 0.33 O ATOM 1352 CB ALA A 89 4.076 -4.225 3.451 1.00 0.29 C ATOM 0 H ALA A 89 3.877 -3.669 5.845 1.00 0.26 H new ATOM 0 HA ALA A 89 5.434 -5.565 4.438 1.00 0.29 H new ATOM 0 HB1 ALA A 89 4.406 -4.485 2.445 1.00 0.29 H new ATOM 0 HB2 ALA A 89 3.204 -4.824 3.713 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.813 -3.168 3.485 1.00 0.29 H new ATOM 1358 N LEU A 90 6.435 -2.429 4.160 1.00 0.28 N ATOM 1359 CA LEU A 90 7.571 -1.589 3.785 1.00 0.31 C ATOM 1360 C LEU A 90 8.845 -1.991 4.531 1.00 0.35 C ATOM 1361 O LEU A 90 9.953 -1.754 4.049 1.00 0.39 O ATOM 1362 CB LEU A 90 7.249 -0.114 4.053 1.00 0.33 C ATOM 1363 CG LEU A 90 6.438 0.601 2.962 1.00 0.33 C ATOM 1364 CD1 LEU A 90 7.274 0.774 1.704 1.00 0.39 C ATOM 1365 CD2 LEU A 90 5.156 -0.157 2.647 1.00 0.32 C ATOM 0 H LEU A 90 5.637 -1.913 4.532 1.00 0.28 H new ATOM 0 HA LEU A 90 7.750 -1.733 2.720 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.699 -0.046 4.992 1.00 0.33 H new ATOM 0 HB3 LEU A 90 8.187 0.424 4.194 1.00 0.33 H new ATOM 0 HG LEU A 90 6.164 1.587 3.338 1.00 0.33 H new ATOM 0 HD11 LEU A 90 6.683 1.282 0.942 1.00 0.39 H new ATOM 0 HD12 LEU A 90 8.159 1.368 1.934 1.00 0.39 H new ATOM 0 HD13 LEU A 90 7.580 -0.204 1.333 1.00 0.39 H new ATOM 0 HD21 LEU A 90 4.602 0.372 1.872 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.403 -1.159 2.297 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.544 -0.227 3.546 1.00 0.32 H new ATOM 1377 N GLN A 91 8.686 -2.594 5.706 1.00 0.37 N ATOM 1378 CA GLN A 91 9.832 -3.014 6.511 1.00 0.43 C ATOM 1379 C GLN A 91 10.398 -4.351 6.036 1.00 0.39 C ATOM 1380 O GLN A 91 11.547 -4.684 6.327 1.00 0.43 O ATOM 1381 CB GLN A 91 9.434 -3.109 7.988 1.00 0.52 C ATOM 1382 CG GLN A 91 10.571 -3.534 8.907 1.00 1.07 C ATOM 1383 CD GLN A 91 10.710 -5.041 9.016 1.00 1.32 C ATOM 1384 OE1 GLN A 91 9.727 -5.776 8.921 1.00 1.87 O ATOM 1385 NE2 GLN A 91 11.937 -5.511 9.212 1.00 1.80 N ATOM 0 H GLN A 91 7.778 -2.803 6.122 1.00 0.37 H new ATOM 0 HA GLN A 91 10.611 -2.261 6.393 1.00 0.43 H new ATOM 0 HB2 GLN A 91 9.058 -2.140 8.316 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.614 -3.820 8.088 1.00 0.52 H new ATOM 0 HG2 GLN A 91 11.506 -3.114 8.538 1.00 1.07 H new ATOM 0 HG3 GLN A 91 10.404 -3.117 9.900 1.00 1.07 H new ATOM 0 HE21 GLN A 91 12.724 -4.867 9.285 1.00 1.80 H new ATOM 0 HE22 GLN A 91 12.092 -6.516 9.289 1.00 1.80 H new ATOM 1394 N LEU A 92 9.599 -5.109 5.293 1.00 0.37 N ATOM 1395 CA LEU A 92 10.032 -6.415 4.804 1.00 0.36 C ATOM 1396 C LEU A 92 10.707 -6.313 3.439 1.00 0.32 C ATOM 1397 O LEU A 92 11.477 -7.194 3.057 1.00 0.39 O ATOM 1398 CB LEU A 92 8.841 -7.373 4.722 1.00 0.38 C ATOM 1399 CG LEU A 92 8.239 -7.781 6.068 1.00 0.59 C ATOM 1400 CD1 LEU A 92 6.964 -8.583 5.860 1.00 1.17 C ATOM 1401 CD2 LEU A 92 9.244 -8.581 6.885 1.00 1.31 C ATOM 0 H LEU A 92 8.653 -4.845 5.017 1.00 0.37 H new ATOM 0 HA LEU A 92 10.763 -6.803 5.513 1.00 0.36 H new ATOM 0 HB2 LEU A 92 8.061 -6.907 4.120 1.00 0.38 H new ATOM 0 HB3 LEU A 92 9.155 -8.274 4.195 1.00 0.38 H new ATOM 0 HG LEU A 92 7.991 -6.875 6.621 1.00 0.59 H new ATOM 0 HD11 LEU A 92 6.549 -8.865 6.828 1.00 1.17 H new ATOM 0 HD12 LEU A 92 6.238 -7.978 5.317 1.00 1.17 H new ATOM 0 HD13 LEU A 92 7.189 -9.482 5.286 1.00 1.17 H new ATOM 0 HD21 LEU A 92 8.797 -8.862 7.839 1.00 1.31 H new ATOM 0 HD22 LEU A 92 9.524 -9.481 6.337 1.00 1.31 H new ATOM 0 HD23 LEU A 92 10.132 -7.974 7.065 1.00 1.31 H new ATOM 1413 N MET A 93 10.420 -5.242 2.705 1.00 0.31 N ATOM 1414 CA MET A 93 11.006 -5.050 1.389 1.00 0.33 C ATOM 1415 C MET A 93 12.418 -4.462 1.483 1.00 0.23 C ATOM 1416 O MET A 93 12.610 -3.381 2.040 1.00 0.23 O ATOM 1417 CB MET A 93 10.116 -4.143 0.543 1.00 0.45 C ATOM 1418 CG MET A 93 9.791 -2.811 1.193 1.00 1.05 C ATOM 1419 SD MET A 93 9.029 -1.654 0.040 1.00 1.05 S ATOM 1420 CE MET A 93 7.559 -2.564 -0.429 1.00 1.66 C ATOM 0 H MET A 93 9.787 -4.498 3.000 1.00 0.31 H new ATOM 0 HA MET A 93 11.081 -6.027 0.912 1.00 0.33 H new ATOM 0 HB2 MET A 93 10.608 -3.958 -0.412 1.00 0.45 H new ATOM 0 HB3 MET A 93 9.185 -4.666 0.326 1.00 0.45 H new ATOM 0 HG2 MET A 93 9.120 -2.975 2.036 1.00 1.05 H new ATOM 0 HG3 MET A 93 10.705 -2.372 1.594 1.00 1.05 H new ATOM 0 HE1 MET A 93 6.962 -1.963 -1.114 1.00 1.66 H new ATOM 0 HE2 MET A 93 7.848 -3.494 -0.919 1.00 1.66 H new ATOM 0 HE3 MET A 93 6.972 -2.790 0.461 1.00 1.66 H new ATOM 1430 N PRO A 94 13.428 -5.173 0.944 1.00 0.25 N ATOM 1431 CA PRO A 94 14.821 -4.710 0.957 1.00 0.23 C ATOM 1432 C PRO A 94 15.090 -3.695 -0.147 1.00 0.21 C ATOM 1433 O PRO A 94 14.491 -3.768 -1.219 1.00 0.21 O ATOM 1434 CB PRO A 94 15.601 -5.994 0.696 1.00 0.31 C ATOM 1435 CG PRO A 94 14.702 -6.780 -0.190 1.00 0.44 C ATOM 1436 CD PRO A 94 13.302 -6.490 0.282 1.00 0.37 C ATOM 0 HA PRO A 94 15.089 -4.206 1.886 1.00 0.23 H new ATOM 0 HB2 PRO A 94 16.558 -5.790 0.216 1.00 0.31 H new ATOM 0 HB3 PRO A 94 15.816 -6.527 1.622 1.00 0.31 H new ATOM 0 HG2 PRO A 94 14.831 -6.490 -1.233 1.00 0.44 H new ATOM 0 HG3 PRO A 94 14.923 -7.845 -0.125 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.597 -6.456 -0.549 1.00 0.37 H new ATOM 0 HD3 PRO A 94 12.945 -7.254 0.972 1.00 0.37 H new ATOM 1444 N ALA A 95 15.990 -2.747 0.116 1.00 0.24 N ATOM 1445 CA ALA A 95 16.327 -1.723 -0.869 1.00 0.27 C ATOM 1446 C ALA A 95 16.548 -2.338 -2.250 1.00 0.27 C ATOM 1447 O ALA A 95 17.353 -3.251 -2.408 1.00 0.31 O ATOM 1448 CB ALA A 95 17.569 -0.965 -0.425 1.00 0.36 C ATOM 0 H ALA A 95 16.496 -2.668 0.998 1.00 0.24 H new ATOM 0 HA ALA A 95 15.490 -1.029 -0.941 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.814 -0.203 -1.165 1.00 0.36 H new ATOM 0 HB2 ALA A 95 17.380 -0.489 0.537 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.404 -1.659 -0.329 1.00 0.36 H new ATOM 1454 N GLY A 96 15.839 -1.820 -3.251 1.00 0.27 N ATOM 1455 CA GLY A 96 15.973 -2.335 -4.602 1.00 0.28 C ATOM 1456 C GLY A 96 14.883 -3.332 -4.970 1.00 0.28 C ATOM 1457 O GLY A 96 14.839 -3.819 -6.100 1.00 0.34 O ATOM 0 H GLY A 96 15.174 -1.053 -3.149 1.00 0.27 H new ATOM 0 HA2 GLY A 96 15.949 -1.503 -5.306 1.00 0.28 H new ATOM 0 HA3 GLY A 96 16.946 -2.814 -4.707 1.00 0.28 H new ATOM 1461 N SER A 97 14.001 -3.634 -4.018 1.00 0.24 N ATOM 1462 CA SER A 97 12.908 -4.581 -4.248 1.00 0.24 C ATOM 1463 C SER A 97 11.754 -3.932 -5.006 1.00 0.19 C ATOM 1464 O SER A 97 11.846 -2.781 -5.435 1.00 0.21 O ATOM 1465 CB SER A 97 12.407 -5.141 -2.916 1.00 0.28 C ATOM 1466 OG SER A 97 11.913 -4.106 -2.084 1.00 1.41 O ATOM 0 H SER A 97 14.021 -3.237 -3.079 1.00 0.24 H new ATOM 0 HA SER A 97 13.297 -5.395 -4.860 1.00 0.24 H new ATOM 0 HB2 SER A 97 11.620 -5.873 -3.098 1.00 0.28 H new ATOM 0 HB3 SER A 97 13.218 -5.664 -2.409 1.00 0.28 H new ATOM 0 HG SER A 97 12.618 -3.816 -1.469 1.00 1.41 H new ATOM 1472 N THR A 98 10.662 -4.682 -5.164 1.00 0.17 N ATOM 1473 CA THR A 98 9.486 -4.197 -5.880 1.00 0.14 C ATOM 1474 C THR A 98 8.248 -5.003 -5.506 1.00 0.13 C ATOM 1475 O THR A 98 8.088 -6.143 -5.941 1.00 0.23 O ATOM 1476 CB THR A 98 9.683 -4.290 -7.404 1.00 0.16 C ATOM 1477 OG1 THR A 98 10.976 -3.793 -7.765 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.607 -3.505 -8.139 1.00 0.18 C ATOM 0 H THR A 98 10.570 -5.632 -4.803 1.00 0.17 H new ATOM 0 HA THR A 98 9.349 -3.155 -5.593 1.00 0.14 H new ATOM 0 HB THR A 98 9.606 -5.338 -7.693 1.00 0.16 H new ATOM 0 HG1 THR A 98 11.274 -3.140 -7.098 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.768 -3.586 -9.214 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.626 -3.909 -7.887 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.655 -2.457 -7.843 1.00 0.18 H new ATOM 1486 N TRP A 99 7.370 -4.405 -4.708 1.00 0.16 N ATOM 1487 CA TRP A 99 6.149 -5.082 -4.279 1.00 0.15 C ATOM 1488 C TRP A 99 4.907 -4.248 -4.572 1.00 0.16 C ATOM 1489 O TRP A 99 4.952 -3.019 -4.564 1.00 0.18 O ATOM 1490 CB TRP A 99 6.190 -5.366 -2.774 1.00 0.19 C ATOM 1491 CG TRP A 99 7.105 -6.481 -2.367 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.728 -7.386 -3.178 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.491 -6.812 -1.028 1.00 0.26 C ATOM 1494 NE1 TRP A 99 8.483 -8.251 -2.425 1.00 0.29 N ATOM 1495 CE2 TRP A 99 8.353 -7.920 -1.104 1.00 0.28 C ATOM 1496 CE3 TRP A 99 7.193 -6.274 0.225 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.920 -8.501 0.029 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 7.753 -6.850 1.349 1.00 0.53 C ATOM 1499 CH2 TRP A 99 8.610 -7.953 1.244 1.00 0.49 C ATOM 0 H TRP A 99 7.479 -3.458 -4.346 1.00 0.16 H new ATOM 0 HA TRP A 99 6.095 -6.015 -4.840 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.496 -4.457 -2.256 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.181 -5.602 -2.436 1.00 0.19 H new ATOM 0 HD1 TRP A 99 7.640 -7.417 -4.254 1.00 0.25 H new ATOM 0 HE1 TRP A 99 9.049 -9.016 -2.791 1.00 0.29 H new ATOM 0 HE3 TRP A 99 6.536 -5.422 0.314 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 9.580 -9.352 -0.049 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 7.527 -6.444 2.324 1.00 0.53 H new ATOM 0 HH2 TRP A 99 9.035 -8.380 2.141 1.00 0.49 H new ATOM 1510 N GLU A 100 3.800 -4.936 -4.826 1.00 0.17 N ATOM 1511 CA GLU A 100 2.520 -4.283 -5.062 1.00 0.20 C ATOM 1512 C GLU A 100 1.561 -4.727 -3.967 1.00 0.19 C ATOM 1513 O GLU A 100 1.107 -5.871 -3.953 1.00 0.19 O ATOM 1514 CB GLU A 100 1.967 -4.636 -6.449 1.00 0.27 C ATOM 1515 CG GLU A 100 1.936 -6.129 -6.739 1.00 0.95 C ATOM 1516 CD GLU A 100 1.354 -6.444 -8.104 1.00 0.95 C ATOM 1517 OE1 GLU A 100 2.109 -6.392 -9.097 1.00 1.37 O ATOM 1518 OE2 GLU A 100 0.145 -6.746 -8.178 1.00 1.20 O ATOM 0 H GLU A 100 3.765 -5.954 -4.874 1.00 0.17 H new ATOM 0 HA GLU A 100 2.645 -3.200 -5.037 1.00 0.20 H new ATOM 0 HB2 GLU A 100 0.956 -4.237 -6.539 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.573 -4.141 -7.208 1.00 0.27 H new ATOM 0 HG2 GLU A 100 2.948 -6.529 -6.678 1.00 0.95 H new ATOM 0 HG3 GLU A 100 1.348 -6.633 -5.972 1.00 0.95 H new ATOM 1525 N ILE A 101 1.252 -3.821 -3.048 1.00 0.18 N ATOM 1526 CA ILE A 101 0.396 -4.158 -1.923 1.00 0.18 C ATOM 1527 C ILE A 101 -0.981 -3.517 -1.995 1.00 0.18 C ATOM 1528 O ILE A 101 -1.134 -2.360 -2.386 1.00 0.19 O ATOM 1529 CB ILE A 101 1.058 -3.744 -0.594 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.263 -2.228 -0.549 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.384 -4.470 -0.410 1.00 0.25 C ATOM 1532 CD1 ILE A 101 1.806 -1.726 0.771 1.00 0.22 C ATOM 0 H ILE A 101 1.579 -2.855 -3.061 1.00 0.18 H new ATOM 0 HA ILE A 101 0.264 -5.239 -1.971 1.00 0.18 H new ATOM 0 HB ILE A 101 0.396 -4.026 0.225 1.00 0.20 H new ATOM 0 HG12 ILE A 101 1.947 -1.939 -1.347 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.312 -1.736 -0.751 1.00 0.18 H new ATOM 0 HG21 ILE A 101 2.838 -4.166 0.533 1.00 0.25 H new ATOM 0 HG22 ILE A 101 2.211 -5.546 -0.399 1.00 0.25 H new ATOM 0 HG23 ILE A 101 3.054 -4.218 -1.232 1.00 0.25 H new ATOM 0 HD11 ILE A 101 1.925 -0.643 0.727 1.00 0.22 H new ATOM 0 HD12 ILE A 101 1.112 -1.983 1.571 1.00 0.22 H new ATOM 0 HD13 ILE A 101 2.773 -2.190 0.967 1.00 0.22 H new ATOM 1544 N TYR A 102 -1.980 -4.301 -1.609 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.358 -3.842 -1.561 1.00 0.22 C ATOM 1546 C TYR A 102 -3.821 -3.888 -0.107 1.00 0.22 C ATOM 1547 O TYR A 102 -4.114 -4.956 0.428 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.257 -4.708 -2.454 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.670 -6.060 -2.808 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -2.783 -6.205 -3.872 1.00 0.22 C ATOM 1551 CD2 TYR A 102 -4.011 -7.194 -2.084 1.00 0.24 C ATOM 1552 CE1 TYR A 102 -2.257 -7.439 -4.198 1.00 0.25 C ATOM 1553 CE2 TYR A 102 -3.488 -8.431 -2.407 1.00 0.27 C ATOM 1554 CZ TYR A 102 -2.612 -8.548 -3.464 1.00 0.27 C ATOM 1555 OH TYR A 102 -2.089 -9.778 -3.787 1.00 0.31 O ATOM 0 H TYR A 102 -1.855 -5.272 -1.321 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.424 -2.822 -1.939 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.211 -4.860 -1.950 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.466 -4.164 -3.375 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -2.502 -5.338 -4.451 1.00 0.22 H new ATOM 0 HD2 TYR A 102 -4.697 -7.108 -1.254 1.00 0.24 H new ATOM 0 HE1 TYR A 102 -1.570 -7.534 -5.026 1.00 0.25 H new ATOM 0 HE2 TYR A 102 -3.765 -9.303 -1.833 1.00 0.27 H new ATOM 0 HH TYR A 102 -1.322 -9.660 -4.385 1.00 0.31 H new ATOM 1565 N VAL A 103 -3.881 -2.719 0.523 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.249 -2.625 1.933 1.00 0.29 C ATOM 1567 C VAL A 103 -5.692 -2.160 2.150 1.00 0.29 C ATOM 1568 O VAL A 103 -5.986 -0.972 2.021 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.315 -1.638 2.664 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.473 -1.759 4.168 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -1.867 -1.863 2.254 1.00 0.33 C ATOM 0 H VAL A 103 -3.680 -1.823 0.080 1.00 0.26 H new ATOM 0 HA VAL A 103 -4.152 -3.634 2.335 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.598 -0.626 2.374 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -2.805 -1.054 4.662 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.504 -1.537 4.445 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.224 -2.773 4.480 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.226 -1.157 2.781 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.571 -2.881 2.508 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -1.766 -1.713 1.179 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.616 -3.087 2.480 1.00 0.28 N ATOM 1582 CA PRO A 104 -8.011 -2.732 2.758 1.00 0.34 C ATOM 1583 C PRO A 104 -8.103 -1.802 3.967 1.00 0.34 C ATOM 1584 O PRO A 104 -7.234 -1.839 4.836 1.00 0.31 O ATOM 1585 CB PRO A 104 -8.690 -4.075 3.052 1.00 0.39 C ATOM 1586 CG PRO A 104 -7.579 -5.017 3.370 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.388 -4.539 2.590 1.00 0.33 C ATOM 0 HA PRO A 104 -8.479 -2.200 1.930 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -9.385 -3.990 3.888 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.265 -4.421 2.193 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -7.367 -5.022 4.439 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -7.842 -6.038 3.092 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.454 -4.762 3.105 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -6.332 -5.013 1.610 1.00 0.33 H new ATOM 1595 N SER A 105 -9.129 -0.957 4.012 1.00 0.45 N ATOM 1596 CA SER A 105 -9.293 -0.013 5.122 1.00 0.51 C ATOM 1597 C SER A 105 -9.139 -0.698 6.480 1.00 0.44 C ATOM 1598 O SER A 105 -8.494 -0.164 7.381 1.00 0.48 O ATOM 1599 CB SER A 105 -10.662 0.661 5.057 1.00 0.66 C ATOM 1600 OG SER A 105 -10.580 2.019 5.457 1.00 1.81 O ATOM 0 H SER A 105 -9.857 -0.903 3.300 1.00 0.45 H new ATOM 0 HA SER A 105 -8.507 0.735 5.020 1.00 0.51 H new ATOM 0 HB2 SER A 105 -11.053 0.600 4.041 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.363 0.130 5.701 1.00 0.66 H new ATOM 0 HG SER A 105 -11.468 2.429 5.406 1.00 1.81 H new ATOM 1606 N GLY A 106 -9.727 -1.882 6.617 1.00 0.38 N ATOM 1607 CA GLY A 106 -9.654 -2.614 7.873 1.00 0.36 C ATOM 1608 C GLY A 106 -8.231 -2.890 8.326 1.00 0.36 C ATOM 1609 O GLY A 106 -8.007 -3.334 9.451 1.00 0.40 O ATOM 0 H GLY A 106 -10.254 -2.350 5.880 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.171 -2.046 8.647 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.184 -3.561 7.765 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.269 -2.628 7.449 1.00 0.37 N ATOM 1614 CA LEU A 107 -5.863 -2.858 7.758 1.00 0.42 C ATOM 1615 C LEU A 107 -5.137 -1.551 8.068 1.00 0.45 C ATOM 1616 O LEU A 107 -4.042 -1.557 8.630 1.00 0.57 O ATOM 1617 CB LEU A 107 -5.181 -3.560 6.582 1.00 0.61 C ATOM 1618 CG LEU A 107 -4.280 -4.735 6.951 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -3.125 -4.272 7.825 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -5.084 -5.824 7.645 1.00 1.60 C ATOM 0 H LEU A 107 -7.438 -2.255 6.515 1.00 0.37 H new ATOM 0 HA LEU A 107 -5.814 -3.491 8.644 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -5.951 -3.916 5.898 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -4.587 -2.826 6.038 1.00 0.61 H new ATOM 0 HG LEU A 107 -3.863 -5.152 6.034 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -2.495 -5.125 8.077 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -2.535 -3.531 7.286 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -3.517 -3.827 8.740 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -4.426 -6.655 7.901 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -5.532 -5.422 8.554 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -5.871 -6.177 6.978 1.00 1.60 H new ATOM 1632 N ALA A 108 -5.752 -0.430 7.704 1.00 0.45 N ATOM 1633 CA ALA A 108 -5.157 0.880 7.942 1.00 0.60 C ATOM 1634 C ALA A 108 -5.910 1.638 9.035 1.00 0.67 C ATOM 1635 O ALA A 108 -5.758 1.337 10.220 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.119 1.686 6.651 1.00 0.66 C ATOM 0 H ALA A 108 -6.662 -0.403 7.243 1.00 0.45 H new ATOM 0 HA ALA A 108 -4.134 0.732 8.288 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -4.672 2.661 6.844 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -4.524 1.155 5.908 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -6.133 1.819 6.275 1.00 0.66 H new ATOM 1642 N TYR A 109 -6.717 2.620 8.640 1.00 0.54 N ATOM 1643 CA TYR A 109 -7.480 3.407 9.599 1.00 0.68 C ATOM 1644 C TYR A 109 -8.837 2.764 9.867 1.00 1.04 C ATOM 1645 O TYR A 109 -9.498 3.075 10.858 1.00 1.44 O ATOM 1646 CB TYR A 109 -7.646 4.840 9.097 1.00 0.59 C ATOM 1647 CG TYR A 109 -6.502 5.745 9.496 1.00 0.56 C ATOM 1648 CD1 TYR A 109 -6.500 6.375 10.733 1.00 0.72 C ATOM 1649 CD2 TYR A 109 -5.425 5.971 8.644 1.00 0.56 C ATOM 1650 CE1 TYR A 109 -5.463 7.204 11.113 1.00 0.98 C ATOM 1651 CE2 TYR A 109 -4.384 6.800 9.017 1.00 0.79 C ATOM 1652 CZ TYR A 109 -4.407 7.413 10.252 1.00 1.03 C ATOM 1653 OH TYR A 109 -3.373 8.240 10.626 1.00 1.35 O ATOM 0 H TYR A 109 -6.858 2.887 7.666 1.00 0.54 H new ATOM 0 HA TYR A 109 -6.930 3.435 10.540 1.00 0.68 H new ATOM 0 HB2 TYR A 109 -7.732 4.830 8.010 1.00 0.59 H new ATOM 0 HB3 TYR A 109 -8.578 5.249 9.487 1.00 0.59 H new ATOM 0 HD1 TYR A 109 -7.325 6.214 11.411 1.00 0.72 H new ATOM 0 HD2 TYR A 109 -5.402 5.491 7.677 1.00 0.56 H new ATOM 0 HE1 TYR A 109 -5.479 7.686 12.079 1.00 0.98 H new ATOM 0 HE2 TYR A 109 -3.556 6.967 8.344 1.00 0.79 H new ATOM 0 HH TYR A 109 -2.709 8.279 9.907 1.00 1.35 H new ATOM 1663 N GLY A 110 -9.244 1.867 8.975 1.00 1.04 N ATOM 1664 CA GLY A 110 -10.502 1.161 9.146 1.00 1.58 C ATOM 1665 C GLY A 110 -11.633 1.677 8.273 1.00 0.83 C ATOM 1666 O GLY A 110 -11.663 2.854 7.913 1.00 0.93 O ATOM 0 H GLY A 110 -8.724 1.615 8.134 1.00 1.04 H new ATOM 0 HA2 GLY A 110 -10.344 0.104 8.929 1.00 1.58 H new ATOM 0 HA3 GLY A 110 -10.805 1.230 10.191 1.00 1.58 H new ATOM 1670 N PRO A 111 -12.587 0.789 7.920 1.00 0.51 N ATOM 1671 CA PRO A 111 -13.752 1.126 7.091 1.00 0.83 C ATOM 1672 C PRO A 111 -14.619 2.231 7.690 1.00 1.02 C ATOM 1673 O PRO A 111 -15.553 2.708 7.051 1.00 1.49 O ATOM 1674 CB PRO A 111 -14.550 -0.184 7.022 1.00 1.41 C ATOM 1675 CG PRO A 111 -14.033 -1.015 8.142 1.00 1.39 C ATOM 1676 CD PRO A 111 -12.591 -0.637 8.285 1.00 0.88 C ATOM 0 HA PRO A 111 -13.438 1.508 6.120 1.00 0.83 H new ATOM 0 HB2 PRO A 111 -15.619 0.000 7.129 1.00 1.41 H new ATOM 0 HB3 PRO A 111 -14.407 -0.682 6.063 1.00 1.41 H new ATOM 0 HG2 PRO A 111 -14.583 -0.820 9.062 1.00 1.39 H new ATOM 0 HG3 PRO A 111 -14.141 -2.078 7.925 1.00 1.39 H new ATOM 0 HD2 PRO A 111 -12.231 -0.795 9.302 1.00 0.88 H new ATOM 0 HD3 PRO A 111 -11.952 -1.225 7.626 1.00 0.88 H new ATOM 1684 N ARG A 112 -14.309 2.648 8.909 1.00 0.94 N ATOM 1685 CA ARG A 112 -15.098 3.678 9.572 1.00 1.23 C ATOM 1686 C ARG A 112 -14.801 5.054 8.983 1.00 0.85 C ATOM 1687 O ARG A 112 -13.877 5.212 8.185 1.00 0.72 O ATOM 1688 CB ARG A 112 -14.808 3.679 11.074 1.00 1.70 C ATOM 1689 CG ARG A 112 -15.169 2.374 11.762 1.00 2.18 C ATOM 1690 CD ARG A 112 -14.883 2.431 13.253 1.00 2.28 C ATOM 1691 NE ARG A 112 -15.252 1.190 13.927 1.00 2.49 N ATOM 1692 CZ ARG A 112 -15.098 0.983 15.232 1.00 2.87 C ATOM 1693 NH1 ARG A 112 -14.584 1.933 16.002 1.00 3.00 N ATOM 1694 NH2 ARG A 112 -15.459 -0.175 15.768 1.00 3.51 N ATOM 0 H ARG A 112 -13.524 2.293 9.456 1.00 0.94 H new ATOM 0 HA ARG A 112 -16.153 3.455 9.412 1.00 1.23 H new ATOM 0 HB2 ARG A 112 -13.749 3.882 11.231 1.00 1.70 H new ATOM 0 HB3 ARG A 112 -15.362 4.493 11.542 1.00 1.70 H new ATOM 0 HG2 ARG A 112 -16.225 2.157 11.601 1.00 2.18 H new ATOM 0 HG3 ARG A 112 -14.604 1.557 11.313 1.00 2.18 H new ATOM 0 HD2 ARG A 112 -13.823 2.629 13.412 1.00 2.28 H new ATOM 0 HD3 ARG A 112 -15.432 3.262 13.696 1.00 2.28 H new ATOM 0 HE ARG A 112 -15.651 0.438 13.365 1.00 2.49 H new ATOM 0 HH11 ARG A 112 -14.306 2.825 15.594 1.00 3.00 H new ATOM 0 HH12 ARG A 112 -14.467 1.771 17.002 1.00 3.00 H new ATOM 0 HH21 ARG A 112 -15.855 -0.908 15.180 1.00 3.51 H new ATOM 0 HH22 ARG A 112 -15.340 -0.333 16.769 1.00 3.51 H new ATOM 1708 N SER A 113 -15.604 6.043 9.377 1.00 0.87 N ATOM 1709 CA SER A 113 -15.456 7.412 8.883 1.00 0.75 C ATOM 1710 C SER A 113 -14.113 8.022 9.281 1.00 0.91 C ATOM 1711 O SER A 113 -13.907 9.228 9.141 1.00 1.34 O ATOM 1712 CB SER A 113 -16.596 8.286 9.407 1.00 1.01 C ATOM 1713 OG SER A 113 -16.613 8.307 10.824 1.00 1.63 O ATOM 0 H SER A 113 -16.368 5.920 10.041 1.00 0.87 H new ATOM 0 HA SER A 113 -15.493 7.371 7.794 1.00 0.75 H new ATOM 0 HB2 SER A 113 -16.484 9.301 9.027 1.00 1.01 H new ATOM 0 HB3 SER A 113 -17.548 7.909 9.034 1.00 1.01 H new ATOM 0 HG SER A 113 -17.350 8.874 11.134 1.00 1.63 H new ATOM 1719 N VAL A 114 -13.207 7.188 9.775 1.00 1.07 N ATOM 1720 CA VAL A 114 -11.888 7.649 10.181 1.00 1.57 C ATOM 1721 C VAL A 114 -10.845 7.291 9.129 1.00 1.35 C ATOM 1722 O VAL A 114 -9.647 7.261 9.411 1.00 1.61 O ATOM 1723 CB VAL A 114 -11.472 7.040 11.533 1.00 2.24 C ATOM 1724 CG1 VAL A 114 -12.388 7.531 12.644 1.00 2.89 C ATOM 1725 CG2 VAL A 114 -11.482 5.520 11.456 1.00 2.90 C ATOM 0 H VAL A 114 -13.363 6.188 9.904 1.00 1.07 H new ATOM 0 HA VAL A 114 -11.943 8.733 10.286 1.00 1.57 H new ATOM 0 HB VAL A 114 -10.457 7.364 11.762 1.00 2.24 H new ATOM 0 HG11 VAL A 114 -12.079 7.090 13.592 1.00 2.89 H new ATOM 0 HG12 VAL A 114 -12.328 8.617 12.712 1.00 2.89 H new ATOM 0 HG13 VAL A 114 -13.415 7.238 12.425 1.00 2.89 H new ATOM 0 HG21 VAL A 114 -11.186 5.105 12.419 1.00 2.90 H new ATOM 0 HG22 VAL A 114 -12.485 5.175 11.205 1.00 2.90 H new ATOM 0 HG23 VAL A 114 -10.782 5.190 10.688 1.00 2.90 H new ATOM 1735 N GLY A 115 -11.312 7.021 7.913 1.00 1.05 N ATOM 1736 CA GLY A 115 -10.413 6.670 6.831 1.00 0.96 C ATOM 1737 C GLY A 115 -9.450 7.794 6.501 1.00 0.87 C ATOM 1738 O GLY A 115 -9.831 8.782 5.872 1.00 0.97 O ATOM 0 H GLY A 115 -12.300 7.040 7.659 1.00 1.05 H new ATOM 0 HA2 GLY A 115 -9.849 5.778 7.104 1.00 0.96 H new ATOM 0 HA3 GLY A 115 -10.995 6.420 5.944 1.00 0.96 H new ATOM 1742 N GLY A 116 -8.199 7.646 6.934 1.00 0.80 N ATOM 1743 CA GLY A 116 -7.196 8.665 6.677 1.00 0.80 C ATOM 1744 C GLY A 116 -6.870 8.797 5.198 1.00 0.70 C ATOM 1745 O GLY A 116 -7.701 9.276 4.426 1.00 0.75 O ATOM 0 H GLY A 116 -7.863 6.838 7.458 1.00 0.80 H new ATOM 0 HA2 GLY A 116 -7.551 9.624 7.055 1.00 0.80 H new ATOM 0 HA3 GLY A 116 -6.286 8.423 7.227 1.00 0.80 H new ATOM 1749 N PRO A 117 -5.662 8.383 4.764 1.00 0.62 N ATOM 1750 CA PRO A 117 -5.269 8.467 3.354 1.00 0.60 C ATOM 1751 C PRO A 117 -6.159 7.601 2.472 1.00 0.53 C ATOM 1752 O PRO A 117 -6.460 7.955 1.332 1.00 0.59 O ATOM 1753 CB PRO A 117 -3.827 7.945 3.344 1.00 0.57 C ATOM 1754 CG PRO A 117 -3.702 7.139 4.590 1.00 0.70 C ATOM 1755 CD PRO A 117 -4.598 7.799 5.599 1.00 0.59 C ATOM 0 HA PRO A 117 -5.361 9.479 2.960 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -3.633 7.338 2.460 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -3.110 8.766 3.331 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -4.002 6.105 4.418 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -2.670 7.117 4.939 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -4.996 7.081 6.316 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -4.069 8.561 6.171 1.00 0.59 H new ATOM 1763 N ILE A 118 -6.579 6.462 3.016 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.449 5.541 2.296 1.00 0.40 C ATOM 1765 C ILE A 118 -8.914 5.870 2.575 1.00 0.43 C ATOM 1766 O ILE A 118 -9.339 5.916 3.731 1.00 0.50 O ATOM 1767 CB ILE A 118 -7.154 4.074 2.680 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -5.710 3.716 2.315 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -8.130 3.133 1.992 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -5.266 2.365 2.837 1.00 1.25 C ATOM 0 H ILE A 118 -6.329 6.155 3.956 1.00 0.44 H new ATOM 0 HA ILE A 118 -7.252 5.659 1.230 1.00 0.40 H new ATOM 0 HB ILE A 118 -7.280 3.963 3.757 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.605 3.729 1.230 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -5.044 4.484 2.708 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -7.905 2.105 2.276 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -9.148 3.379 2.295 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -8.038 3.240 0.911 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -4.234 2.181 2.539 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -5.337 2.354 3.925 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -5.907 1.587 2.423 1.00 1.25 H new ATOM 1782 N GLY A 119 -9.675 6.105 1.508 1.00 0.43 N ATOM 1783 CA GLY A 119 -11.084 6.443 1.645 1.00 0.48 C ATOM 1784 C GLY A 119 -11.833 5.504 2.574 1.00 0.45 C ATOM 1785 O GLY A 119 -11.408 4.367 2.780 1.00 0.40 O ATOM 0 H GLY A 119 -9.339 6.067 0.546 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -11.172 7.463 2.020 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -11.554 6.423 0.662 1.00 0.48 H new ATOM 1789 N PRO A 120 -12.962 5.956 3.155 1.00 0.52 N ATOM 1790 CA PRO A 120 -13.760 5.131 4.067 1.00 0.56 C ATOM 1791 C PRO A 120 -14.306 3.888 3.370 1.00 0.51 C ATOM 1792 O PRO A 120 -14.882 3.979 2.286 1.00 0.48 O ATOM 1793 CB PRO A 120 -14.903 6.058 4.497 1.00 0.64 C ATOM 1794 CG PRO A 120 -14.960 7.119 3.454 1.00 0.67 C ATOM 1795 CD PRO A 120 -13.551 7.292 2.963 1.00 0.59 C ATOM 0 HA PRO A 120 -13.172 4.760 4.907 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -15.847 5.516 4.559 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -14.714 6.484 5.482 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -15.624 6.830 2.640 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -15.347 8.051 3.866 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -13.524 7.598 1.917 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -13.017 8.053 3.532 1.00 0.59 H new ATOM 1803 N ASN A 121 -14.132 2.733 4.005 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.582 1.461 3.441 1.00 0.58 C ATOM 1805 C ASN A 121 -14.091 1.317 2.007 1.00 0.49 C ATOM 1806 O ASN A 121 -14.768 0.730 1.168 1.00 0.53 O ATOM 1807 CB ASN A 121 -16.111 1.379 3.447 1.00 0.68 C ATOM 1808 CG ASN A 121 -16.721 1.862 4.743 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -16.946 1.081 5.668 1.00 1.12 O ATOM 1810 ND2 ASN A 121 -17.006 3.155 4.809 1.00 0.67 N ATOM 0 H ASN A 121 -13.680 2.650 4.916 1.00 0.55 H new ATOM 0 HA ASN A 121 -14.173 0.659 4.055 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.505 1.973 2.622 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -16.415 0.347 3.270 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -17.430 3.541 5.652 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -16.801 3.764 4.016 1.00 0.67 H new ATOM 1817 N GLU A 122 -12.904 1.839 1.737 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.336 1.774 0.398 1.00 0.35 C ATOM 1819 C GLU A 122 -11.063 0.943 0.366 1.00 0.31 C ATOM 1820 O GLU A 122 -10.141 1.180 1.144 1.00 0.33 O ATOM 1821 CB GLU A 122 -12.043 3.182 -0.122 1.00 0.35 C ATOM 1822 CG GLU A 122 -13.282 4.049 -0.274 1.00 1.09 C ATOM 1823 CD GLU A 122 -13.526 4.473 -1.708 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -14.140 3.688 -2.461 1.00 1.60 O ATOM 1825 OE2 GLU A 122 -13.104 5.588 -2.078 1.00 1.73 O ATOM 0 H GLU A 122 -12.317 2.311 2.424 1.00 0.40 H new ATOM 0 HA GLU A 122 -13.072 1.292 -0.245 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -11.348 3.674 0.559 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -11.543 3.106 -1.088 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -14.151 3.502 0.092 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -13.178 4.936 0.350 1.00 1.09 H new ATOM 1832 N THR A 123 -11.016 -0.036 -0.529 1.00 0.26 N ATOM 1833 CA THR A 123 -9.825 -0.854 -0.676 1.00 0.24 C ATOM 1834 C THR A 123 -8.927 -0.210 -1.721 1.00 0.22 C ATOM 1835 O THR A 123 -9.373 0.102 -2.823 1.00 0.24 O ATOM 1836 CB THR A 123 -10.158 -2.300 -1.086 1.00 0.25 C ATOM 1837 OG1 THR A 123 -10.975 -2.915 -0.084 1.00 0.29 O ATOM 1838 CG2 THR A 123 -8.886 -3.114 -1.275 1.00 0.24 C ATOM 0 H THR A 123 -11.782 -0.279 -1.157 1.00 0.26 H new ATOM 0 HA THR A 123 -9.320 -0.908 0.289 1.00 0.24 H new ATOM 0 HB THR A 123 -10.699 -2.272 -2.032 1.00 0.25 H new ATOM 0 HG1 THR A 123 -10.517 -3.704 0.273 1.00 0.29 H new ATOM 0 HG21 THR A 123 -9.145 -4.132 -1.564 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.276 -2.659 -2.055 1.00 0.24 H new ATOM 0 HG23 THR A 123 -8.325 -3.134 -0.341 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.665 -0.010 -1.378 1.00 0.20 N ATOM 1847 CA LEU A 124 -6.735 0.647 -2.285 1.00 0.19 C ATOM 1848 C LEU A 124 -5.633 -0.284 -2.779 1.00 0.17 C ATOM 1849 O LEU A 124 -5.304 -1.284 -2.140 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.106 1.841 -1.577 1.00 0.23 C ATOM 1851 CG LEU A 124 -6.384 3.192 -2.225 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -6.767 4.213 -1.168 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -5.167 3.657 -3.005 1.00 1.47 C ATOM 0 H LEU A 124 -7.262 -0.291 -0.484 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.303 0.966 -3.159 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -6.467 1.867 -0.549 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.027 1.691 -1.532 1.00 0.23 H new ATOM 0 HG LEU A 124 -7.219 3.087 -2.918 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -6.963 5.174 -1.644 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -7.663 3.877 -0.646 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -5.950 4.322 -0.454 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -5.376 4.623 -3.464 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -4.317 3.753 -2.330 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -4.933 2.929 -3.782 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.073 0.071 -3.931 1.00 0.15 N ATOM 1866 CA ILE A 125 -3.977 -0.674 -4.532 1.00 0.14 C ATOM 1867 C ILE A 125 -2.730 0.199 -4.554 1.00 0.13 C ATOM 1868 O ILE A 125 -2.807 1.389 -4.857 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.298 -1.110 -5.975 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.597 -1.907 -6.012 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -3.153 -1.929 -6.552 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.835 -1.051 -6.171 1.00 0.20 C ATOM 0 H ILE A 125 -5.368 0.884 -4.473 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.818 -1.570 -3.932 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.423 -0.216 -6.587 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.552 -2.620 -6.835 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.683 -2.487 -5.093 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.397 -2.228 -7.571 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.243 -1.329 -6.558 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -2.997 -2.818 -5.941 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.719 -1.689 -6.189 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.906 -0.356 -5.335 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.773 -0.491 -7.104 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.585 -0.389 -4.237 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.341 0.366 -4.205 1.00 0.14 C ATOM 1886 C PHE A 126 0.775 -0.344 -4.965 1.00 0.14 C ATOM 1887 O PHE A 126 1.000 -1.541 -4.787 1.00 0.16 O ATOM 1888 CB PHE A 126 0.098 0.589 -2.755 1.00 0.16 C ATOM 1889 CG PHE A 126 -0.927 1.285 -1.907 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.217 2.626 -2.106 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.596 0.599 -0.906 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -2.156 3.267 -1.322 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.535 1.235 -0.119 1.00 0.22 C ATOM 1894 CZ PHE A 126 -2.816 2.572 -0.326 1.00 0.24 C ATOM 0 H PHE A 126 -1.492 -1.377 -4.000 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.528 1.323 -4.692 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.333 -0.376 -2.305 1.00 0.16 H new ATOM 0 HB3 PHE A 126 1.017 1.175 -2.750 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.704 3.175 -2.882 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.380 -0.446 -0.740 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.375 4.312 -1.487 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.049 0.688 0.658 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.549 3.073 0.289 1.00 0.24 H new ATOM 1904 N LYS A 127 1.469 0.410 -5.812 1.00 0.14 N ATOM 1905 CA LYS A 127 2.590 -0.123 -6.575 1.00 0.15 C ATOM 1906 C LYS A 127 3.877 0.471 -6.022 1.00 0.16 C ATOM 1907 O LYS A 127 4.204 1.625 -6.295 1.00 0.19 O ATOM 1908 CB LYS A 127 2.441 0.215 -8.062 1.00 0.18 C ATOM 1909 CG LYS A 127 3.627 -0.215 -8.914 1.00 0.89 C ATOM 1910 CD LYS A 127 3.800 -1.726 -8.916 1.00 1.23 C ATOM 1911 CE LYS A 127 5.004 -2.146 -9.745 1.00 1.62 C ATOM 1912 NZ LYS A 127 4.867 -1.734 -11.170 1.00 2.28 N ATOM 0 H LYS A 127 1.273 1.396 -5.987 1.00 0.14 H new ATOM 0 HA LYS A 127 2.613 -1.209 -6.482 1.00 0.15 H new ATOM 0 HB2 LYS A 127 1.539 -0.263 -8.445 1.00 0.18 H new ATOM 0 HB3 LYS A 127 2.301 1.291 -8.168 1.00 0.18 H new ATOM 0 HG2 LYS A 127 3.487 0.137 -9.936 1.00 0.89 H new ATOM 0 HG3 LYS A 127 4.535 0.255 -8.537 1.00 0.89 H new ATOM 0 HD2 LYS A 127 3.919 -2.081 -7.892 1.00 1.23 H new ATOM 0 HD3 LYS A 127 2.901 -2.196 -9.314 1.00 1.23 H new ATOM 0 HE2 LYS A 127 5.907 -1.704 -9.324 1.00 1.62 H new ATOM 0 HE3 LYS A 127 5.124 -3.228 -9.690 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 5.597 -2.207 -11.740 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 3.926 -2.004 -11.520 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 4.982 -0.703 -11.246 1.00 2.28 H new ATOM 1926 N ILE A 128 4.611 -0.322 -5.254 1.00 0.16 N ATOM 1927 CA ILE A 128 5.835 0.156 -4.630 1.00 0.19 C ATOM 1928 C ILE A 128 7.088 -0.351 -5.319 1.00 0.18 C ATOM 1929 O ILE A 128 7.297 -1.557 -5.455 1.00 0.22 O ATOM 1930 CB ILE A 128 5.904 -0.261 -3.150 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.567 0.011 -2.455 1.00 0.31 C ATOM 1932 CG2 ILE A 128 7.037 0.475 -2.449 1.00 0.27 C ATOM 1933 CD1 ILE A 128 4.523 -0.456 -1.015 1.00 0.82 C ATOM 0 H ILE A 128 4.381 -1.294 -5.049 1.00 0.16 H new ATOM 0 HA ILE A 128 5.801 1.242 -4.721 1.00 0.19 H new ATOM 0 HB ILE A 128 6.103 -1.331 -3.096 1.00 0.23 H new ATOM 0 HG12 ILE A 128 4.362 1.081 -2.487 1.00 0.31 H new ATOM 0 HG13 ILE A 128 3.771 -0.483 -3.012 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.076 0.172 -1.403 1.00 0.27 H new ATOM 0 HG22 ILE A 128 7.983 0.232 -2.933 1.00 0.27 H new ATOM 0 HG23 ILE A 128 6.865 1.550 -2.509 1.00 0.27 H new ATOM 0 HD11 ILE A 128 3.546 -0.230 -0.589 1.00 0.82 H new ATOM 0 HD12 ILE A 128 4.696 -1.532 -0.976 1.00 0.82 H new ATOM 0 HD13 ILE A 128 5.296 0.057 -0.442 1.00 0.82 H new ATOM 1945 N HIS A 129 7.918 0.587 -5.752 1.00 0.15 N ATOM 1946 CA HIS A 129 9.182 0.255 -6.378 1.00 0.15 C ATOM 1947 C HIS A 129 10.306 0.834 -5.533 1.00 0.15 C ATOM 1948 O HIS A 129 10.622 2.020 -5.626 1.00 0.15 O ATOM 1949 CB HIS A 129 9.249 0.791 -7.808 1.00 0.15 C ATOM 1950 CG HIS A 129 9.860 -0.185 -8.764 1.00 0.17 C ATOM 1951 ND1 HIS A 129 9.366 -0.413 -10.029 1.00 0.22 N ATOM 1952 CD2 HIS A 129 10.914 -1.020 -8.616 1.00 0.20 C ATOM 1953 CE1 HIS A 129 10.088 -1.350 -10.618 1.00 0.26 C ATOM 1954 NE2 HIS A 129 11.035 -1.740 -9.781 1.00 0.26 N ATOM 0 H HIS A 129 7.734 1.588 -5.679 1.00 0.15 H new ATOM 0 HA HIS A 129 9.283 -0.829 -6.437 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.243 1.042 -8.145 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.828 1.714 -7.819 1.00 0.15 H new ATOM 0 HD2 HIS A 129 11.544 -1.105 -7.743 1.00 0.20 H new ATOM 0 HE1 HIS A 129 9.931 -1.733 -11.616 1.00 0.26 H new ATOM 0 HE2 HIS A 129 11.738 -2.455 -9.968 1.00 0.26 H new ATOM 1963 N LEU A 130 10.909 -0.014 -4.713 1.00 0.16 N ATOM 1964 CA LEU A 130 11.974 0.414 -3.817 1.00 0.17 C ATOM 1965 C LEU A 130 13.301 0.534 -4.551 1.00 0.17 C ATOM 1966 O LEU A 130 13.798 -0.435 -5.121 1.00 0.25 O ATOM 1967 CB LEU A 130 12.094 -0.574 -2.651 1.00 0.22 C ATOM 1968 CG LEU A 130 13.068 -0.178 -1.536 1.00 0.46 C ATOM 1969 CD1 LEU A 130 12.807 1.244 -1.064 1.00 1.36 C ATOM 1970 CD2 LEU A 130 12.952 -1.146 -0.370 1.00 1.41 C ATOM 0 H LEU A 130 10.678 -1.006 -4.649 1.00 0.16 H new ATOM 0 HA LEU A 130 11.722 1.401 -3.430 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.106 -0.710 -2.212 1.00 0.22 H new ATOM 0 HB3 LEU A 130 12.402 -1.541 -3.049 1.00 0.22 H new ATOM 0 HG LEU A 130 14.081 -0.224 -1.937 1.00 0.46 H new ATOM 0 HD11 LEU A 130 13.512 1.500 -0.273 1.00 1.36 H new ATOM 0 HD12 LEU A 130 12.933 1.933 -1.899 1.00 1.36 H new ATOM 0 HD13 LEU A 130 11.789 1.319 -0.682 1.00 1.36 H new ATOM 0 HD21 LEU A 130 13.649 -0.854 0.416 1.00 1.41 H new ATOM 0 HD22 LEU A 130 11.935 -1.125 0.021 1.00 1.41 H new ATOM 0 HD23 LEU A 130 13.189 -2.154 -0.709 1.00 1.41 H new ATOM 1982 N ILE A 131 13.864 1.739 -4.540 1.00 0.13 N ATOM 1983 CA ILE A 131 15.141 1.988 -5.195 1.00 0.15 C ATOM 1984 C ILE A 131 16.294 1.743 -4.230 1.00 0.17 C ATOM 1985 O ILE A 131 17.183 0.936 -4.503 1.00 0.22 O ATOM 1986 CB ILE A 131 15.228 3.432 -5.733 1.00 0.18 C ATOM 1987 CG1 ILE A 131 14.068 3.720 -6.694 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.567 3.668 -6.416 1.00 0.26 C ATOM 1989 CD1 ILE A 131 14.023 2.796 -7.895 1.00 1.17 C ATOM 0 H ILE A 131 13.456 2.556 -4.085 1.00 0.13 H new ATOM 0 HA ILE A 131 15.214 1.297 -6.035 1.00 0.15 H new ATOM 0 HB ILE A 131 15.150 4.119 -4.890 1.00 0.18 H new ATOM 0 HG12 ILE A 131 13.128 3.637 -6.149 1.00 0.16 H new ATOM 0 HG13 ILE A 131 14.145 4.750 -7.043 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.610 4.691 -6.789 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.374 3.508 -5.700 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.678 2.974 -7.249 1.00 0.26 H new ATOM 0 HD11 ILE A 131 13.176 3.062 -8.527 1.00 1.17 H new ATOM 0 HD12 ILE A 131 14.947 2.895 -8.465 1.00 1.17 H new ATOM 0 HD13 ILE A 131 13.914 1.765 -7.557 1.00 1.17 H new ATOM 2001 N SER A 132 16.270 2.440 -3.097 1.00 0.17 N ATOM 2002 CA SER A 132 17.311 2.291 -2.086 1.00 0.20 C ATOM 2003 C SER A 132 16.833 2.814 -0.735 1.00 0.22 C ATOM 2004 O SER A 132 15.827 3.520 -0.651 1.00 0.23 O ATOM 2005 CB SER A 132 18.590 3.020 -2.504 1.00 0.23 C ATOM 2006 OG SER A 132 18.853 2.850 -3.886 1.00 1.17 O ATOM 0 H SER A 132 15.542 3.113 -2.857 1.00 0.17 H new ATOM 0 HA SER A 132 17.532 1.228 -1.993 1.00 0.20 H new ATOM 0 HB2 SER A 132 18.496 4.082 -2.278 1.00 0.23 H new ATOM 0 HB3 SER A 132 19.432 2.644 -1.923 1.00 0.23 H new ATOM 0 HG SER A 132 18.596 1.945 -4.159 1.00 1.17 H new ATOM 2012 N VAL A 133 17.564 2.464 0.318 1.00 0.25 N ATOM 2013 CA VAL A 133 17.216 2.882 1.671 1.00 0.29 C ATOM 2014 C VAL A 133 18.233 3.876 2.234 1.00 0.41 C ATOM 2015 O VAL A 133 19.424 3.579 2.326 1.00 0.57 O ATOM 2016 CB VAL A 133 17.124 1.662 2.608 1.00 0.45 C ATOM 2017 CG1 VAL A 133 18.441 0.902 2.625 1.00 1.16 C ATOM 2018 CG2 VAL A 133 16.724 2.088 4.012 1.00 1.43 C ATOM 0 H VAL A 133 18.405 1.889 0.260 1.00 0.25 H new ATOM 0 HA VAL A 133 16.245 3.375 1.615 1.00 0.29 H new ATOM 0 HB VAL A 133 16.351 0.995 2.227 1.00 0.45 H new ATOM 0 HG11 VAL A 133 18.357 0.044 3.292 1.00 1.16 H new ATOM 0 HG12 VAL A 133 18.675 0.557 1.618 1.00 1.16 H new ATOM 0 HG13 VAL A 133 19.236 1.559 2.978 1.00 1.16 H new ATOM 0 HG21 VAL A 133 16.665 1.210 4.656 1.00 1.43 H new ATOM 0 HG22 VAL A 133 17.468 2.780 4.408 1.00 1.43 H new ATOM 0 HG23 VAL A 133 15.752 2.580 3.980 1.00 1.43 H new ATOM 2028 N LYS A 134 17.748 5.060 2.599 1.00 0.41 N ATOM 2029 CA LYS A 134 18.595 6.109 3.165 1.00 0.58 C ATOM 2030 C LYS A 134 19.907 6.230 2.396 1.00 0.68 C ATOM 2031 O LYS A 134 20.982 5.955 2.931 1.00 1.28 O ATOM 2032 CB LYS A 134 18.876 5.824 4.643 1.00 0.69 C ATOM 2033 CG LYS A 134 17.672 5.300 5.408 1.00 1.69 C ATOM 2034 CD LYS A 134 18.051 4.867 6.816 1.00 1.90 C ATOM 2035 CE LYS A 134 18.455 6.053 7.678 1.00 2.62 C ATOM 2036 NZ LYS A 134 18.881 5.630 9.041 1.00 3.08 N ATOM 0 H LYS A 134 16.765 5.319 2.512 1.00 0.41 H new ATOM 0 HA LYS A 134 18.062 7.056 3.080 1.00 0.58 H new ATOM 0 HB2 LYS A 134 19.685 5.097 4.715 1.00 0.69 H new ATOM 0 HB3 LYS A 134 19.227 6.740 5.119 1.00 0.69 H new ATOM 0 HG2 LYS A 134 16.906 6.074 5.458 1.00 1.69 H new ATOM 0 HG3 LYS A 134 17.238 4.456 4.871 1.00 1.69 H new ATOM 0 HD2 LYS A 134 17.209 4.351 7.278 1.00 1.90 H new ATOM 0 HD3 LYS A 134 18.874 4.154 6.769 1.00 1.90 H new ATOM 0 HE2 LYS A 134 19.269 6.593 7.194 1.00 2.62 H new ATOM 0 HE3 LYS A 134 17.617 6.746 7.758 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 19.148 6.467 9.597 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 18.096 5.137 9.513 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 19.697 4.989 8.967 1.00 3.08 H new ATOM 2050 N LYS A 135 19.806 6.643 1.137 1.00 0.95 N ATOM 2051 CA LYS A 135 20.974 6.802 0.280 1.00 1.05 C ATOM 2052 C LYS A 135 21.725 5.484 0.126 1.00 0.97 C ATOM 2053 O LYS A 135 22.945 5.468 -0.040 1.00 0.99 O ATOM 2054 CB LYS A 135 21.910 7.874 0.835 1.00 1.19 C ATOM 2055 CG LYS A 135 21.371 9.287 0.691 1.00 1.67 C ATOM 2056 CD LYS A 135 22.413 10.317 1.088 1.00 2.16 C ATOM 2057 CE LYS A 135 21.929 11.735 0.826 1.00 2.86 C ATOM 2058 NZ LYS A 135 22.928 12.750 1.261 1.00 3.16 N ATOM 0 H LYS A 135 18.921 6.875 0.686 1.00 0.95 H new ATOM 0 HA LYS A 135 20.623 7.116 -0.703 1.00 1.05 H new ATOM 0 HB2 LYS A 135 22.096 7.671 1.890 1.00 1.19 H new ATOM 0 HB3 LYS A 135 22.870 7.807 0.323 1.00 1.19 H new ATOM 0 HG2 LYS A 135 21.062 9.458 -0.340 1.00 1.67 H new ATOM 0 HG3 LYS A 135 20.484 9.405 1.313 1.00 1.67 H new ATOM 0 HD2 LYS A 135 22.653 10.204 2.145 1.00 2.16 H new ATOM 0 HD3 LYS A 135 23.333 10.138 0.532 1.00 2.16 H new ATOM 0 HE2 LYS A 135 21.725 11.859 -0.238 1.00 2.86 H new ATOM 0 HE3 LYS A 135 20.989 11.901 1.352 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 22.562 13.704 1.066 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 23.104 12.649 2.281 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 23.817 12.608 0.740 1.00 3.16 H new ATOM 2072 N SER A 136 20.982 4.382 0.184 1.00 0.99 N ATOM 2073 CA SER A 136 21.564 3.052 0.049 1.00 0.96 C ATOM 2074 C SER A 136 22.670 2.829 1.078 1.00 1.03 C ATOM 2075 O SER A 136 23.839 2.674 0.724 1.00 1.31 O ATOM 2076 CB SER A 136 22.114 2.852 -1.365 1.00 0.95 C ATOM 2077 OG SER A 136 22.660 1.553 -1.522 1.00 1.19 O ATOM 0 H SER A 136 19.972 4.385 0.324 1.00 0.99 H new ATOM 0 HA SER A 136 20.776 2.321 0.230 1.00 0.96 H new ATOM 0 HB2 SER A 136 21.318 3.005 -2.093 1.00 0.95 H new ATOM 0 HB3 SER A 136 22.881 3.599 -1.569 1.00 0.95 H new ATOM 0 HG SER A 136 23.397 1.429 -0.888 1.00 1.19 H new ATOM 2083 N SER A 137 22.294 2.814 2.352 1.00 0.91 N ATOM 2084 CA SER A 137 23.257 2.609 3.430 1.00 1.03 C ATOM 2085 C SER A 137 23.715 1.156 3.480 1.00 1.82 C ATOM 2086 O SER A 137 24.751 0.842 2.858 1.00 2.51 O ATOM 2087 CB SER A 137 22.646 3.013 4.773 1.00 1.57 C ATOM 2088 OG SER A 137 22.282 4.382 4.779 1.00 2.37 O ATOM 2089 OXT SER A 137 23.034 0.343 4.140 1.00 2.53 O ATOM 0 H SER A 137 21.331 2.941 2.664 1.00 0.91 H new ATOM 0 HA SER A 137 24.126 3.237 3.233 1.00 1.03 H new ATOM 0 HB2 SER A 137 21.768 2.400 4.975 1.00 1.57 H new ATOM 0 HB3 SER A 137 23.361 2.820 5.573 1.00 1.57 H new ATOM 0 HG SER A 137 21.743 4.581 3.985 1.00 2.37 H new TER 2095 SER A 137