USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 592 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: B 101 ASN : amide:sc= 0.0286 K(o=1.1,f=-6.9!) USER MOD Set 1.2: B 102 LYS NZ :NH3+ 175:sc= 1.1 (180deg=0) USER MOD Set 2.1: A 101 ASN : amide:sc= 0.0259 K(o=1.1,f=-7.2!) USER MOD Set 2.2: A 102 LYS NZ :NH3+ 175:sc= 1.06 (180deg=0) USER MOD Single : A 103 TYR OH : rot -13:sc= 0.725 USER MOD Single : A 108 MET CE :methyl 144:sc= -0.132 (180deg=-1.81) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 85:sc= 1.09 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-3.8!) USER MOD Single : A 122 MET CE :methyl 178:sc= -6.84! (180deg=-6.99!) USER MOD Single : A 123 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 126 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 131 LYS NZ :NH3+ -167:sc= 1.1 (180deg=0.573) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 134 LYS NZ :NH3+ -179:sc= -2.3! (180deg=-2.31!) USER MOD Single : B 103 TYR OH : rot -15:sc= 0.751 USER MOD Single : B 108 MET CE :methyl 144:sc= -0.133 (180deg=-1.8) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 SER OG : rot 85:sc= 1.11 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 HIS : no HE2:sc= -2.45 K(o=-2.5,f=-3.4!) USER MOD Single : B 122 MET CE :methyl -179:sc= -6.83! (180deg=-6.92!) USER MOD Single : B 123 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 126 THR OG1 : rot 83:sc= 1.31 USER MOD Single : B 131 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.572) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 134 LYS NZ :NH3+ 177:sc= -2.32! (180deg=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 99 -13.659 5.258 -6.255 1.00 4.97 N ATOM 2 CA PRO A 99 -14.382 6.156 -5.350 1.00 4.83 C ATOM 3 C PRO A 99 -14.161 5.791 -3.892 1.00 4.33 C ATOM 4 O PRO A 99 -14.325 4.638 -3.497 1.00 4.07 O ATOM 5 CB PRO A 99 -15.843 5.936 -5.735 1.00 5.14 C ATOM 6 CG PRO A 99 -15.889 4.531 -6.219 1.00 5.27 C ATOM 7 CD PRO A 99 -14.562 4.279 -6.887 1.00 5.29 C ATOM 0 HA PRO A 99 -14.052 7.191 -5.444 1.00 4.83 H new ATOM 0 HB2 PRO A 99 -16.506 6.085 -4.882 1.00 5.14 H new ATOM 0 HB3 PRO A 99 -16.159 6.634 -6.510 1.00 5.14 H new ATOM 0 HG2 PRO A 99 -16.048 3.838 -5.392 1.00 5.27 H new ATOM 0 HG3 PRO A 99 -16.712 4.386 -6.919 1.00 5.27 H new ATOM 0 HD2 PRO A 99 -14.220 3.257 -6.725 1.00 5.29 H new ATOM 0 HD3 PRO A 99 -14.622 4.428 -7.965 1.00 5.29 H new ATOM 15 N GLU A 100 -13.849 6.805 -3.094 1.00 4.31 N ATOM 16 CA GLU A 100 -13.394 6.625 -1.716 1.00 4.02 C ATOM 17 C GLU A 100 -14.399 5.864 -0.865 1.00 3.83 C ATOM 18 O GLU A 100 -14.017 5.079 -0.002 1.00 3.64 O ATOM 19 CB GLU A 100 -13.076 7.965 -1.071 1.00 4.28 C ATOM 20 CG GLU A 100 -14.286 8.789 -0.727 1.00 4.51 C ATOM 21 CD GLU A 100 -15.048 9.272 -1.941 1.00 4.77 C ATOM 22 OE1 GLU A 100 -14.606 10.250 -2.575 1.00 4.99 O ATOM 23 OE2 GLU A 100 -16.080 8.655 -2.282 1.00 5.13 O ATOM 0 H GLU A 100 -13.904 7.781 -3.384 1.00 4.31 H new ATOM 0 HA GLU A 100 -12.485 6.025 -1.765 1.00 4.02 H new ATOM 0 HB2 GLU A 100 -12.500 7.790 -0.162 1.00 4.28 H new ATOM 0 HB3 GLU A 100 -12.440 8.538 -1.746 1.00 4.28 H new ATOM 0 HG2 GLU A 100 -14.953 8.197 -0.100 1.00 4.51 H new ATOM 0 HG3 GLU A 100 -13.974 9.650 -0.136 1.00 4.51 H new ATOM 30 N ASN A 101 -15.680 6.107 -1.113 1.00 4.05 N ATOM 31 CA ASN A 101 -16.736 5.444 -0.361 1.00 4.10 C ATOM 32 C ASN A 101 -16.646 3.924 -0.469 1.00 3.98 C ATOM 33 O ASN A 101 -16.843 3.211 0.512 1.00 4.07 O ATOM 34 CB ASN A 101 -18.107 5.919 -0.830 1.00 4.55 C ATOM 35 CG ASN A 101 -19.237 5.315 -0.014 1.00 4.76 C ATOM 36 OD1 ASN A 101 -20.316 5.039 -0.539 1.00 5.19 O ATOM 37 ND2 ASN A 101 -19.000 5.124 1.277 1.00 4.68 N ATOM 0 H ASN A 101 -16.011 6.756 -1.827 1.00 4.05 H new ATOM 0 HA ASN A 101 -16.601 5.712 0.687 1.00 4.10 H new ATOM 0 HB2 ASN A 101 -18.155 7.006 -0.764 1.00 4.55 H new ATOM 0 HB3 ASN A 101 -18.240 5.658 -1.880 1.00 4.55 H new ATOM 0 HD21 ASN A 101 -19.727 4.734 1.877 1.00 4.68 H new ATOM 0 HD22 ASN A 101 -18.091 5.367 1.670 1.00 4.68 H new ATOM 44 N LYS A 102 -16.329 3.433 -1.654 1.00 3.93 N ATOM 45 CA LYS A 102 -16.224 1.999 -1.888 1.00 3.87 C ATOM 46 C LYS A 102 -14.780 1.551 -1.744 1.00 3.43 C ATOM 47 O LYS A 102 -14.494 0.404 -1.424 1.00 3.32 O ATOM 48 CB LYS A 102 -16.744 1.658 -3.291 1.00 4.20 C ATOM 49 CG LYS A 102 -18.261 1.725 -3.440 1.00 4.62 C ATOM 50 CD LYS A 102 -18.793 3.145 -3.309 1.00 5.18 C ATOM 51 CE LYS A 102 -20.297 3.202 -3.520 1.00 5.68 C ATOM 52 NZ LYS A 102 -20.838 4.572 -3.311 1.00 6.27 N ATOM 0 H LYS A 102 -16.138 4.008 -2.475 1.00 3.93 H new ATOM 0 HA LYS A 102 -16.830 1.475 -1.149 1.00 3.87 H new ATOM 0 HB2 LYS A 102 -16.291 2.342 -4.008 1.00 4.20 H new ATOM 0 HB3 LYS A 102 -16.410 0.654 -3.554 1.00 4.20 H new ATOM 0 HG2 LYS A 102 -18.546 1.321 -4.411 1.00 4.62 H new ATOM 0 HG3 LYS A 102 -18.726 1.094 -2.683 1.00 4.62 H new ATOM 0 HD2 LYS A 102 -18.549 3.536 -2.321 1.00 5.18 H new ATOM 0 HD3 LYS A 102 -18.298 3.788 -4.037 1.00 5.18 H new ATOM 0 HE2 LYS A 102 -20.534 2.869 -4.530 1.00 5.68 H new ATOM 0 HE3 LYS A 102 -20.786 2.511 -2.834 1.00 5.68 H new ATOM 0 HZ1 LYS A 102 -21.851 4.585 -3.547 1.00 6.27 H new ATOM 0 HZ2 LYS A 102 -20.710 4.848 -2.316 1.00 6.27 H new ATOM 0 HZ3 LYS A 102 -20.331 5.242 -3.924 1.00 6.27 H new ATOM 66 N TYR A 103 -13.881 2.480 -1.994 1.00 3.24 N ATOM 67 CA TYR A 103 -12.446 2.272 -1.916 1.00 2.85 C ATOM 68 C TYR A 103 -12.012 1.923 -0.493 1.00 2.57 C ATOM 69 O TYR A 103 -11.090 1.131 -0.301 1.00 2.28 O ATOM 70 CB TYR A 103 -11.785 3.564 -2.401 1.00 2.82 C ATOM 71 CG TYR A 103 -10.280 3.634 -2.347 1.00 2.56 C ATOM 72 CD1 TYR A 103 -9.658 4.568 -1.532 1.00 2.69 C ATOM 73 CD2 TYR A 103 -9.488 2.815 -3.132 1.00 2.76 C ATOM 74 CE1 TYR A 103 -8.285 4.691 -1.500 1.00 2.58 C ATOM 75 CE2 TYR A 103 -8.110 2.920 -3.101 1.00 2.65 C ATOM 76 CZ TYR A 103 -7.513 3.861 -2.289 1.00 2.31 C ATOM 77 OH TYR A 103 -6.143 3.975 -2.285 1.00 2.31 O ATOM 0 H TYR A 103 -14.134 3.430 -2.265 1.00 3.24 H new ATOM 0 HA TYR A 103 -12.144 1.429 -2.538 1.00 2.85 H new ATOM 0 HB2 TYR A 103 -12.094 3.734 -3.432 1.00 2.82 H new ATOM 0 HB3 TYR A 103 -12.182 4.389 -1.809 1.00 2.82 H new ATOM 0 HD1 TYR A 103 -10.261 5.212 -0.910 1.00 2.69 H new ATOM 0 HD2 TYR A 103 -9.952 2.084 -3.777 1.00 2.76 H new ATOM 0 HE1 TYR A 103 -7.818 5.429 -0.864 1.00 2.58 H new ATOM 0 HE2 TYR A 103 -7.503 2.267 -3.711 1.00 2.65 H new ATOM 0 HH TYR A 103 -5.886 4.811 -1.843 1.00 2.31 H new ATOM 87 N LEU A 104 -12.694 2.493 0.496 1.00 2.70 N ATOM 88 CA LEU A 104 -12.347 2.309 1.897 1.00 2.55 C ATOM 89 C LEU A 104 -12.488 0.842 2.337 1.00 2.53 C ATOM 90 O LEU A 104 -11.518 0.249 2.815 1.00 2.25 O ATOM 91 CB LEU A 104 -13.223 3.230 2.760 1.00 2.85 C ATOM 92 CG LEU A 104 -13.078 3.067 4.271 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.650 3.345 4.703 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.047 3.990 4.994 1.00 3.18 C ATOM 0 H LEU A 104 -13.503 3.096 0.346 1.00 2.70 H new ATOM 0 HA LEU A 104 -11.298 2.574 2.031 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -12.993 4.264 2.502 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.266 3.060 2.494 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.318 2.037 4.535 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.566 3.224 5.783 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -10.977 2.646 4.206 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.379 4.365 4.430 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -13.934 3.865 6.071 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -13.834 5.024 4.725 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.069 3.743 4.705 1.00 3.18 H new ATOM 106 N PRO A 105 -13.681 0.224 2.186 1.00 2.88 N ATOM 107 CA PRO A 105 -13.887 -1.179 2.567 1.00 2.95 C ATOM 108 C PRO A 105 -12.997 -2.121 1.761 1.00 2.65 C ATOM 109 O PRO A 105 -12.570 -3.162 2.258 1.00 2.62 O ATOM 110 CB PRO A 105 -15.367 -1.433 2.260 1.00 3.43 C ATOM 111 CG PRO A 105 -15.718 -0.386 1.263 1.00 3.51 C ATOM 112 CD PRO A 105 -14.920 0.817 1.656 1.00 3.28 C ATOM 0 HA PRO A 105 -13.631 -1.361 3.611 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.524 -2.434 1.858 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -15.980 -1.350 3.158 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.472 -0.708 0.251 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.787 -0.171 1.278 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.725 1.469 0.805 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.435 1.417 2.406 1.00 3.28 H new ATOM 120 N GLU A 106 -12.695 -1.731 0.526 1.00 2.53 N ATOM 121 CA GLU A 106 -11.798 -2.495 -0.324 1.00 2.35 C ATOM 122 C GLU A 106 -10.401 -2.539 0.280 1.00 1.89 C ATOM 123 O GLU A 106 -9.754 -3.585 0.310 1.00 1.84 O ATOM 124 CB GLU A 106 -11.735 -1.865 -1.710 1.00 2.43 C ATOM 125 CG GLU A 106 -13.033 -1.961 -2.497 1.00 2.88 C ATOM 126 CD GLU A 106 -13.449 -3.388 -2.792 1.00 3.32 C ATOM 127 OE1 GLU A 106 -12.963 -3.960 -3.788 1.00 3.62 O ATOM 128 OE2 GLU A 106 -14.278 -3.943 -2.039 1.00 3.70 O ATOM 0 H GLU A 106 -13.063 -0.884 0.093 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.180 -3.513 -0.405 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.462 -0.815 -1.608 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.941 -2.347 -2.280 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.827 -1.466 -1.937 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -12.921 -1.420 -3.437 1.00 2.88 H new ATOM 135 N LEU A 107 -9.950 -1.390 0.770 1.00 1.63 N ATOM 136 CA LEU A 107 -8.650 -1.285 1.417 1.00 1.23 C ATOM 137 C LEU A 107 -8.600 -2.164 2.653 1.00 1.08 C ATOM 138 O LEU A 107 -7.648 -2.896 2.865 1.00 0.96 O ATOM 139 CB LEU A 107 -8.383 0.154 1.843 1.00 1.21 C ATOM 140 CG LEU A 107 -8.262 1.162 0.715 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.325 2.570 1.273 1.00 1.42 C ATOM 142 CD2 LEU A 107 -6.963 0.950 -0.032 1.00 1.20 C ATOM 0 H LEU A 107 -10.470 -0.514 0.730 1.00 1.63 H new ATOM 0 HA LEU A 107 -7.895 -1.608 0.701 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.188 0.473 2.506 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.462 0.176 2.426 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.090 1.022 0.021 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.238 3.289 0.458 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.276 2.716 1.785 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.507 2.719 1.978 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -6.885 1.678 -0.840 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.125 1.077 0.653 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -6.943 -0.057 -0.448 1.00 1.20 H new ATOM 154 N MET A 108 -9.658 -2.091 3.440 1.00 1.27 N ATOM 155 CA MET A 108 -9.761 -2.836 4.680 1.00 1.26 C ATOM 156 C MET A 108 -9.822 -4.342 4.433 1.00 1.17 C ATOM 157 O MET A 108 -9.273 -5.123 5.206 1.00 1.13 O ATOM 158 CB MET A 108 -10.994 -2.353 5.435 1.00 1.64 C ATOM 159 CG MET A 108 -11.391 -3.246 6.589 1.00 1.96 C ATOM 160 SD MET A 108 -12.759 -2.576 7.553 1.00 2.39 S ATOM 161 CE MET A 108 -14.040 -2.469 6.306 1.00 2.67 C ATOM 0 H MET A 108 -10.472 -1.511 3.236 1.00 1.27 H new ATOM 0 HA MET A 108 -8.868 -2.657 5.279 1.00 1.26 H new ATOM 0 HB2 MET A 108 -10.807 -1.348 5.813 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.830 -2.281 4.739 1.00 1.64 H new ATOM 0 HG2 MET A 108 -11.670 -4.227 6.204 1.00 1.96 H new ATOM 0 HG3 MET A 108 -10.530 -3.393 7.242 1.00 1.96 H new ATOM 0 HE1 MET A 108 -15.005 -2.703 6.755 1.00 2.67 H new ATOM 0 HE2 MET A 108 -14.065 -1.459 5.896 1.00 2.67 H new ATOM 0 HE3 MET A 108 -13.830 -3.180 5.507 1.00 2.67 H new ATOM 171 N ALA A 109 -10.469 -4.747 3.348 1.00 1.27 N ATOM 172 CA ALA A 109 -10.545 -6.164 3.011 1.00 1.30 C ATOM 173 C ALA A 109 -9.178 -6.700 2.584 1.00 0.99 C ATOM 174 O ALA A 109 -8.753 -7.765 3.032 1.00 1.01 O ATOM 175 CB ALA A 109 -11.586 -6.412 1.931 1.00 1.60 C ATOM 0 H ALA A 109 -10.943 -4.125 2.693 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.853 -6.704 3.906 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.622 -7.476 1.698 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.563 -6.084 2.286 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.320 -5.853 1.034 1.00 1.60 H new ATOM 181 N GLU A 110 -8.493 -5.950 1.726 1.00 0.80 N ATOM 182 CA GLU A 110 -7.137 -6.323 1.320 1.00 0.62 C ATOM 183 C GLU A 110 -6.219 -6.246 2.534 1.00 0.45 C ATOM 184 O GLU A 110 -5.349 -7.077 2.737 1.00 0.55 O ATOM 185 CB GLU A 110 -6.621 -5.397 0.218 1.00 0.56 C ATOM 186 CG GLU A 110 -7.395 -5.501 -1.086 1.00 0.60 C ATOM 187 CD GLU A 110 -6.799 -4.640 -2.179 1.00 0.83 C ATOM 188 OE1 GLU A 110 -5.652 -4.186 -2.022 1.00 1.49 O ATOM 189 OE2 GLU A 110 -7.470 -4.418 -3.208 1.00 1.48 O ATOM 0 H GLU A 110 -8.846 -5.092 1.302 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.152 -7.339 0.926 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.663 -4.367 0.573 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.573 -5.626 0.026 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.412 -6.540 -1.414 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.430 -5.204 -0.916 1.00 0.60 H new ATOM 196 N LYS A 111 -6.477 -5.228 3.330 1.00 0.41 N ATOM 197 CA LYS A 111 -5.739 -5.028 4.573 1.00 0.46 C ATOM 198 C LYS A 111 -5.861 -6.247 5.490 1.00 0.47 C ATOM 199 O LYS A 111 -4.866 -6.766 5.989 1.00 0.52 O ATOM 200 CB LYS A 111 -6.263 -3.772 5.273 1.00 0.63 C ATOM 201 CG LYS A 111 -5.954 -3.690 6.754 1.00 0.79 C ATOM 202 CD LYS A 111 -6.652 -2.498 7.380 1.00 0.89 C ATOM 203 CE LYS A 111 -6.533 -2.517 8.894 1.00 1.15 C ATOM 204 NZ LYS A 111 -7.204 -1.350 9.525 1.00 1.89 N ATOM 0 H LYS A 111 -7.191 -4.524 3.144 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.682 -4.899 4.340 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.841 -2.896 4.780 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.344 -3.723 5.139 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.274 -4.607 7.249 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.877 -3.607 6.902 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -6.220 -1.576 6.991 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.704 -2.501 7.096 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -6.971 -3.438 9.280 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -5.480 -2.523 9.174 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -7.097 -1.405 10.558 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -6.770 -0.471 9.178 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -8.215 -1.357 9.281 1.00 1.89 H new ATOM 218 N ASP A 112 -7.085 -6.699 5.699 1.00 0.49 N ATOM 219 CA ASP A 112 -7.351 -7.828 6.590 1.00 0.58 C ATOM 220 C ASP A 112 -6.846 -9.151 6.004 1.00 0.53 C ATOM 221 O ASP A 112 -6.571 -10.099 6.737 1.00 0.63 O ATOM 222 CB ASP A 112 -8.853 -7.912 6.872 1.00 0.72 C ATOM 223 CG ASP A 112 -9.218 -9.031 7.825 1.00 2.65 C ATOM 224 OD1 ASP A 112 -9.635 -10.108 7.355 1.00 3.03 O ATOM 225 OD2 ASP A 112 -9.107 -8.831 9.053 1.00 3.08 O ATOM 0 H ASP A 112 -7.918 -6.303 5.264 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.809 -7.659 7.521 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.192 -6.963 7.289 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -9.385 -8.056 5.932 1.00 0.72 H new ATOM 230 N SER A 113 -6.710 -9.203 4.687 1.00 0.44 N ATOM 231 CA SER A 113 -6.358 -10.444 4.005 1.00 0.43 C ATOM 232 C SER A 113 -4.873 -10.508 3.639 1.00 0.35 C ATOM 233 O SER A 113 -4.343 -11.578 3.332 1.00 0.40 O ATOM 234 CB SER A 113 -7.203 -10.577 2.743 1.00 0.44 C ATOM 235 OG SER A 113 -8.587 -10.521 3.049 1.00 0.55 O ATOM 0 H SER A 113 -6.837 -8.402 4.068 1.00 0.44 H new ATOM 0 HA SER A 113 -6.557 -11.268 4.690 1.00 0.43 H new ATOM 0 HB2 SER A 113 -6.949 -9.779 2.045 1.00 0.44 H new ATOM 0 HB3 SER A 113 -6.975 -11.520 2.246 1.00 0.44 H new ATOM 0 HG SER A 113 -8.874 -9.585 3.096 1.00 0.55 H new ATOM 241 N LEU A 114 -4.213 -9.362 3.663 1.00 0.27 N ATOM 242 CA LEU A 114 -2.821 -9.265 3.243 1.00 0.23 C ATOM 243 C LEU A 114 -1.904 -9.867 4.302 1.00 0.27 C ATOM 244 O LEU A 114 -2.142 -9.722 5.502 1.00 0.31 O ATOM 245 CB LEU A 114 -2.463 -7.798 3.003 1.00 0.17 C ATOM 246 CG LEU A 114 -1.262 -7.540 2.085 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.644 -7.733 0.626 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.726 -6.139 2.307 1.00 0.16 C ATOM 0 H LEU A 114 -4.620 -8.479 3.971 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.687 -9.824 2.317 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.333 -7.297 2.579 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.265 -7.331 3.968 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.482 -8.260 2.331 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.776 -7.544 -0.005 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -1.989 -8.755 0.472 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.441 -7.038 0.364 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.126 -5.967 1.650 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.507 -5.411 2.086 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.412 -6.030 3.345 1.00 0.16 H new ATOM 260 N ASP A 115 -0.859 -10.549 3.848 1.00 0.29 N ATOM 261 CA ASP A 115 0.084 -11.204 4.749 1.00 0.34 C ATOM 262 C ASP A 115 0.947 -10.164 5.458 1.00 0.33 C ATOM 263 O ASP A 115 1.493 -9.261 4.823 1.00 0.29 O ATOM 264 CB ASP A 115 0.972 -12.184 3.973 1.00 0.37 C ATOM 265 CG ASP A 115 1.808 -13.068 4.881 1.00 0.49 C ATOM 266 OD1 ASP A 115 1.456 -14.254 5.052 1.00 1.23 O ATOM 267 OD2 ASP A 115 2.823 -12.587 5.423 1.00 1.21 O ATOM 0 H ASP A 115 -0.642 -10.663 2.858 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.481 -11.761 5.496 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.345 -12.812 3.340 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.632 -11.623 3.312 1.00 0.37 H new ATOM 272 N PRO A 116 1.086 -10.290 6.789 1.00 0.41 N ATOM 273 CA PRO A 116 1.809 -9.320 7.625 1.00 0.46 C ATOM 274 C PRO A 116 3.293 -9.201 7.278 1.00 0.42 C ATOM 275 O PRO A 116 3.950 -8.243 7.692 1.00 0.47 O ATOM 276 CB PRO A 116 1.638 -9.866 9.045 1.00 0.55 C ATOM 277 CG PRO A 116 1.348 -11.313 8.858 1.00 0.55 C ATOM 278 CD PRO A 116 0.542 -11.397 7.598 1.00 0.50 C ATOM 0 HA PRO A 116 1.415 -8.314 7.483 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.540 -9.716 9.639 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.825 -9.363 9.568 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.269 -11.891 8.775 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.794 -11.716 9.706 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.666 -12.360 7.102 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.524 -11.272 7.790 1.00 0.50 H new ATOM 286 N SER A 117 3.820 -10.177 6.542 1.00 0.36 N ATOM 287 CA SER A 117 5.222 -10.156 6.138 1.00 0.37 C ATOM 288 C SER A 117 5.513 -8.933 5.268 1.00 0.38 C ATOM 289 O SER A 117 6.653 -8.474 5.180 1.00 0.56 O ATOM 290 CB SER A 117 5.595 -11.440 5.386 1.00 0.37 C ATOM 291 OG SER A 117 6.999 -11.546 5.199 1.00 1.30 O ATOM 0 H SER A 117 3.298 -10.990 6.214 1.00 0.36 H new ATOM 0 HA SER A 117 5.830 -10.097 7.041 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.235 -12.306 5.942 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.096 -11.453 4.417 1.00 0.37 H new ATOM 0 HG SER A 117 7.203 -12.375 4.718 1.00 1.30 H new ATOM 297 N PHE A 118 4.470 -8.393 4.651 1.00 0.28 N ATOM 298 CA PHE A 118 4.607 -7.201 3.830 1.00 0.32 C ATOM 299 C PHE A 118 4.319 -5.969 4.672 1.00 0.44 C ATOM 300 O PHE A 118 3.207 -5.444 4.664 1.00 0.94 O ATOM 301 CB PHE A 118 3.656 -7.254 2.639 1.00 0.27 C ATOM 302 CG PHE A 118 3.814 -8.487 1.803 1.00 0.23 C ATOM 303 CD1 PHE A 118 3.179 -9.663 2.159 1.00 1.22 C ATOM 304 CD2 PHE A 118 4.591 -8.467 0.660 1.00 1.21 C ATOM 305 CE1 PHE A 118 3.316 -10.798 1.393 1.00 1.21 C ATOM 306 CE2 PHE A 118 4.732 -9.600 -0.114 1.00 1.23 C ATOM 307 CZ PHE A 118 4.094 -10.768 0.251 1.00 0.28 C ATOM 0 H PHE A 118 3.521 -8.763 4.705 1.00 0.28 H new ATOM 0 HA PHE A 118 5.627 -7.152 3.450 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.629 -7.199 3.001 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.821 -6.377 2.013 1.00 0.27 H new ATOM 0 HD1 PHE A 118 2.568 -9.691 3.049 1.00 1.22 H new ATOM 0 HD2 PHE A 118 5.093 -7.555 0.370 1.00 1.21 H new ATOM 0 HE1 PHE A 118 2.817 -11.710 1.684 1.00 1.21 H new ATOM 0 HE2 PHE A 118 5.341 -9.573 -1.005 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.202 -11.656 -0.354 1.00 0.28 H new ATOM 317 N THR A 119 5.333 -5.518 5.393 1.00 0.39 N ATOM 318 CA THR A 119 5.187 -4.413 6.325 1.00 0.39 C ATOM 319 C THR A 119 4.693 -3.145 5.634 1.00 0.42 C ATOM 320 O THR A 119 3.730 -2.520 6.076 1.00 0.45 O ATOM 321 CB THR A 119 6.524 -4.108 7.022 1.00 0.44 C ATOM 322 OG1 THR A 119 6.952 -5.243 7.787 1.00 0.48 O ATOM 323 CG2 THR A 119 6.401 -2.888 7.922 1.00 0.45 C ATOM 0 H THR A 119 6.275 -5.906 5.349 1.00 0.39 H new ATOM 0 HA THR A 119 4.445 -4.721 7.061 1.00 0.39 H new ATOM 0 HB THR A 119 7.268 -3.894 6.255 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.805 -5.039 8.225 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.359 -2.693 8.403 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.112 -2.023 7.325 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.643 -3.073 8.684 1.00 0.45 H new ATOM 331 N HIS A 120 5.351 -2.773 4.551 1.00 0.44 N ATOM 332 CA HIS A 120 5.062 -1.518 3.877 1.00 0.51 C ATOM 333 C HIS A 120 3.702 -1.570 3.197 1.00 0.47 C ATOM 334 O HIS A 120 2.920 -0.627 3.294 1.00 0.57 O ATOM 335 CB HIS A 120 6.160 -1.193 2.875 1.00 0.60 C ATOM 336 CG HIS A 120 7.523 -1.153 3.490 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.880 -0.296 4.510 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.608 -1.914 3.251 1.00 1.19 C ATOM 339 CE1 HIS A 120 9.125 -0.544 4.869 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.591 -1.523 4.125 1.00 1.47 N ATOM 0 H HIS A 120 6.092 -3.324 4.117 1.00 0.44 H new ATOM 0 HA HIS A 120 5.031 -0.723 4.623 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.149 -1.937 2.079 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.948 -0.229 2.413 1.00 0.60 H new ATOM 0 HD1 HIS A 120 7.277 0.416 4.921 1.00 1.09 H new ATOM 0 HD2 HIS A 120 8.690 -2.692 2.506 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.671 -0.028 5.645 1.00 1.40 H new ATOM 349 N ALA A 121 3.426 -2.679 2.522 1.00 0.37 N ATOM 350 CA ALA A 121 2.128 -2.898 1.886 1.00 0.34 C ATOM 351 C ALA A 121 1.010 -2.834 2.913 1.00 0.38 C ATOM 352 O ALA A 121 -0.046 -2.247 2.676 1.00 0.47 O ATOM 353 CB ALA A 121 2.114 -4.242 1.180 1.00 0.27 C ATOM 0 H ALA A 121 4.087 -3.446 2.399 1.00 0.37 H new ATOM 0 HA ALA A 121 1.966 -2.109 1.151 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.143 -4.396 0.709 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.893 -4.261 0.418 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.296 -5.036 1.905 1.00 0.27 H new ATOM 359 N MET A 122 1.274 -3.416 4.068 1.00 0.35 N ATOM 360 CA MET A 122 0.319 -3.428 5.164 1.00 0.34 C ATOM 361 C MET A 122 0.172 -2.037 5.767 1.00 0.39 C ATOM 362 O MET A 122 -0.930 -1.606 6.109 1.00 0.41 O ATOM 363 CB MET A 122 0.760 -4.435 6.227 1.00 0.37 C ATOM 364 CG MET A 122 0.420 -5.878 5.897 1.00 0.38 C ATOM 365 SD MET A 122 -1.219 -6.376 6.474 1.00 0.49 S ATOM 366 CE MET A 122 -2.278 -5.197 5.641 1.00 0.63 C ATOM 0 H MET A 122 2.152 -3.892 4.274 1.00 0.35 H new ATOM 0 HA MET A 122 -0.654 -3.730 4.777 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.838 -4.350 6.367 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.294 -4.172 7.176 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.476 -6.020 4.818 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.169 -6.532 6.344 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.320 -5.412 5.880 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.030 -4.188 5.972 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.130 -5.272 4.564 1.00 0.63 H new ATOM 376 N GLN A 123 1.289 -1.333 5.871 1.00 0.44 N ATOM 377 CA GLN A 123 1.290 0.013 6.424 1.00 0.53 C ATOM 378 C GLN A 123 0.575 0.992 5.497 1.00 0.54 C ATOM 379 O GLN A 123 -0.204 1.826 5.956 1.00 0.62 O ATOM 380 CB GLN A 123 2.723 0.466 6.733 1.00 0.65 C ATOM 381 CG GLN A 123 2.900 1.973 6.835 1.00 0.83 C ATOM 382 CD GLN A 123 4.333 2.380 7.141 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.289 1.579 6.692 1.00 1.60 O flip ATOM 384 NE2 GLN A 123 4.578 3.405 7.776 1.00 1.76 N flip ATOM 0 H GLN A 123 2.206 -1.671 5.580 1.00 0.44 H new ATOM 0 HA GLN A 123 0.735 -0.001 7.362 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.040 0.011 7.672 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.386 0.087 5.955 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.588 2.435 5.898 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.243 2.359 7.615 1.00 0.83 H new ATOM 0 HE21 GLN A 123 3.814 3.996 8.105 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.545 3.664 7.974 1.00 1.76 H new ATOM 393 N LEU A 124 0.814 0.882 4.197 1.00 0.49 N ATOM 394 CA LEU A 124 0.190 1.790 3.242 1.00 0.50 C ATOM 395 C LEU A 124 -1.320 1.562 3.185 1.00 0.45 C ATOM 396 O LEU A 124 -2.091 2.509 3.039 1.00 0.52 O ATOM 397 CB LEU A 124 0.845 1.668 1.867 1.00 0.50 C ATOM 398 CG LEU A 124 2.322 2.061 1.837 1.00 0.56 C ATOM 399 CD1 LEU A 124 2.990 1.550 0.570 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.471 3.572 1.943 1.00 0.83 C ATOM 0 H LEU A 124 1.428 0.181 3.782 1.00 0.49 H new ATOM 0 HA LEU A 124 0.348 2.814 3.581 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.748 0.639 1.521 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.300 2.294 1.161 1.00 0.50 H new ATOM 0 HG LEU A 124 2.816 1.601 2.693 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.040 1.841 0.570 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.915 0.463 0.532 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.494 1.979 -0.301 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.528 3.836 1.920 1.00 0.83 H new ATOM 0 HD22 LEU A 124 1.960 4.048 1.106 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.031 3.916 2.879 1.00 0.83 H new ATOM 412 N LEU A 125 -1.734 0.303 3.324 1.00 0.37 N ATOM 413 CA LEU A 125 -3.156 -0.026 3.399 1.00 0.35 C ATOM 414 C LEU A 125 -3.751 0.584 4.657 1.00 0.46 C ATOM 415 O LEU A 125 -4.866 1.094 4.649 1.00 0.52 O ATOM 416 CB LEU A 125 -3.370 -1.543 3.429 1.00 0.28 C ATOM 417 CG LEU A 125 -3.299 -2.257 2.085 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.284 -3.755 2.310 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.481 -1.873 1.209 1.00 0.33 C ATOM 0 H LEU A 125 -1.109 -0.501 3.387 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.647 0.378 2.514 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.623 -1.982 4.090 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.345 -1.743 3.873 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.384 -1.956 1.574 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.233 -4.267 1.349 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.415 -4.024 2.911 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.193 -4.054 2.832 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.411 -2.394 0.254 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.409 -2.153 1.707 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.472 -0.797 1.037 1.00 0.33 H new ATOM 431 N THR A 126 -2.977 0.544 5.728 1.00 0.55 N ATOM 432 CA THR A 126 -3.440 1.058 7.001 1.00 0.74 C ATOM 433 C THR A 126 -3.631 2.571 6.926 1.00 0.92 C ATOM 434 O THR A 126 -4.681 3.101 7.299 1.00 1.07 O ATOM 435 CB THR A 126 -2.441 0.708 8.123 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.331 -0.718 8.244 1.00 0.86 O ATOM 437 CG2 THR A 126 -2.872 1.307 9.452 1.00 0.91 C ATOM 0 H THR A 126 -2.031 0.163 5.740 1.00 0.55 H new ATOM 0 HA THR A 126 -4.399 0.592 7.229 1.00 0.74 H new ATOM 0 HB THR A 126 -1.471 1.131 7.861 1.00 0.81 H new ATOM 0 HG1 THR A 126 -1.828 -1.073 7.482 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.148 1.042 10.222 1.00 0.91 H new ATOM 0 HG22 THR A 126 -2.926 2.392 9.362 1.00 0.91 H new ATOM 0 HG23 THR A 126 -3.852 0.917 9.726 1.00 0.91 H new ATOM 445 N ALA A 127 -2.623 3.243 6.383 1.00 0.96 N ATOM 446 CA ALA A 127 -2.605 4.695 6.311 1.00 1.09 C ATOM 447 C ALA A 127 -3.723 5.242 5.428 1.00 1.18 C ATOM 448 O ALA A 127 -4.392 6.209 5.790 1.00 1.38 O ATOM 449 CB ALA A 127 -1.256 5.159 5.793 1.00 1.18 C ATOM 0 H ALA A 127 -1.798 2.796 5.982 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.771 5.081 7.317 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.242 6.248 5.739 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.471 4.819 6.468 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.085 4.744 4.800 1.00 1.18 H new ATOM 455 N GLU A 128 -3.907 4.628 4.258 1.00 1.13 N ATOM 456 CA GLU A 128 -4.924 5.077 3.309 1.00 1.31 C ATOM 457 C GLU A 128 -6.316 4.983 3.927 1.00 1.38 C ATOM 458 O GLU A 128 -7.161 5.861 3.734 1.00 1.61 O ATOM 459 CB GLU A 128 -4.868 4.244 2.030 1.00 1.35 C ATOM 460 CG GLU A 128 -5.667 4.838 0.883 1.00 1.47 C ATOM 461 CD GLU A 128 -5.009 6.059 0.267 1.00 1.46 C ATOM 462 OE1 GLU A 128 -4.852 6.086 -0.969 1.00 2.02 O ATOM 463 OE2 GLU A 128 -4.654 6.996 1.008 1.00 1.95 O ATOM 0 H GLU A 128 -3.366 3.821 3.947 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.719 6.119 3.062 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.828 4.137 1.721 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.242 3.242 2.242 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.804 4.079 0.113 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.659 5.110 1.242 1.00 1.47 H new ATOM 470 N ILE A 129 -6.537 3.926 4.697 1.00 1.24 N ATOM 471 CA ILE A 129 -7.805 3.751 5.385 1.00 1.42 C ATOM 472 C ILE A 129 -7.987 4.837 6.433 1.00 1.64 C ATOM 473 O ILE A 129 -9.069 5.404 6.576 1.00 1.92 O ATOM 474 CB ILE A 129 -7.904 2.360 6.035 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.897 1.302 4.942 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.158 2.236 6.894 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.830 -0.108 5.459 1.00 1.01 C ATOM 0 H ILE A 129 -5.858 3.182 4.859 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.602 3.831 4.646 1.00 1.42 H new ATOM 0 HB ILE A 129 -7.047 2.215 6.692 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.796 1.414 4.336 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.046 1.478 4.285 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.198 1.242 7.339 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -9.133 2.986 7.684 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -10.041 2.392 6.274 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.829 -0.804 4.620 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.917 -0.239 6.040 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.695 -0.305 6.092 1.00 1.01 H new ATOM 489 N GLU A 130 -6.901 5.145 7.130 1.00 1.56 N ATOM 490 CA GLU A 130 -6.898 6.214 8.112 1.00 1.76 C ATOM 491 C GLU A 130 -7.288 7.534 7.459 1.00 1.94 C ATOM 492 O GLU A 130 -8.055 8.306 8.015 1.00 2.19 O ATOM 493 CB GLU A 130 -5.513 6.354 8.744 1.00 1.67 C ATOM 494 CG GLU A 130 -5.092 5.171 9.599 1.00 1.60 C ATOM 495 CD GLU A 130 -3.745 5.388 10.253 1.00 1.81 C ATOM 496 OE1 GLU A 130 -2.724 4.938 9.698 1.00 2.25 O ATOM 497 OE2 GLU A 130 -3.701 6.018 11.330 1.00 2.15 O ATOM 0 H GLU A 130 -6.007 4.664 7.030 1.00 1.56 H new ATOM 0 HA GLU A 130 -7.624 5.966 8.887 1.00 1.76 H new ATOM 0 HB2 GLU A 130 -4.778 6.494 7.952 1.00 1.67 H new ATOM 0 HB3 GLU A 130 -5.496 7.255 9.358 1.00 1.67 H new ATOM 0 HG2 GLU A 130 -5.844 4.996 10.369 1.00 1.60 H new ATOM 0 HG3 GLU A 130 -5.053 4.274 8.981 1.00 1.60 H new ATOM 504 N LYS A 131 -6.780 7.760 6.254 1.00 1.85 N ATOM 505 CA LYS A 131 -6.993 9.013 5.537 1.00 2.07 C ATOM 506 C LYS A 131 -8.460 9.200 5.166 1.00 2.28 C ATOM 507 O LYS A 131 -9.015 10.288 5.334 1.00 2.54 O ATOM 508 CB LYS A 131 -6.135 9.053 4.274 1.00 2.03 C ATOM 509 CG LYS A 131 -6.120 10.411 3.586 1.00 2.33 C ATOM 510 CD LYS A 131 -5.443 10.332 2.227 1.00 2.59 C ATOM 511 CE LYS A 131 -6.300 9.571 1.227 1.00 3.17 C ATOM 512 NZ LYS A 131 -5.557 9.266 -0.022 1.00 3.73 N ATOM 0 H LYS A 131 -6.210 7.083 5.747 1.00 1.85 H new ATOM 0 HA LYS A 131 -6.701 9.827 6.201 1.00 2.07 H new ATOM 0 HB2 LYS A 131 -5.113 8.775 4.531 1.00 2.03 H new ATOM 0 HB3 LYS A 131 -6.502 8.304 3.572 1.00 2.03 H new ATOM 0 HG2 LYS A 131 -7.141 10.772 3.466 1.00 2.33 H new ATOM 0 HG3 LYS A 131 -5.598 11.134 4.214 1.00 2.33 H new ATOM 0 HD2 LYS A 131 -5.252 11.338 1.854 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -4.475 9.841 2.328 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -6.646 8.642 1.679 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -7.186 10.159 0.988 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -6.224 8.949 -0.754 1.00 3.73 H new ATOM 0 HZ2 LYS A 131 -5.063 10.121 -0.350 1.00 3.73 H new ATOM 0 HZ3 LYS A 131 -4.863 8.514 0.162 1.00 3.73 H new ATOM 526 N ILE A 132 -9.084 8.142 4.659 1.00 2.21 N ATOM 527 CA ILE A 132 -10.494 8.201 4.297 1.00 2.47 C ATOM 528 C ILE A 132 -11.362 8.357 5.537 1.00 2.68 C ATOM 529 O ILE A 132 -12.335 9.109 5.540 1.00 2.98 O ATOM 530 CB ILE A 132 -10.938 6.938 3.534 1.00 2.40 C ATOM 531 CG1 ILE A 132 -9.931 6.600 2.437 1.00 2.18 C ATOM 532 CG2 ILE A 132 -12.322 7.141 2.933 1.00 2.72 C ATOM 533 CD1 ILE A 132 -10.338 5.416 1.594 1.00 2.19 C ATOM 0 H ILE A 132 -8.639 7.240 4.491 1.00 2.21 H new ATOM 0 HA ILE A 132 -10.619 9.067 3.647 1.00 2.47 H new ATOM 0 HB ILE A 132 -10.982 6.106 4.237 1.00 2.40 H new ATOM 0 HG12 ILE A 132 -9.802 7.469 1.792 1.00 2.18 H new ATOM 0 HG13 ILE A 132 -8.962 6.396 2.893 1.00 2.18 H new ATOM 0 HG21 ILE A 132 -12.622 6.240 2.397 1.00 2.72 H new ATOM 0 HG22 ILE A 132 -13.038 7.345 3.729 1.00 2.72 H new ATOM 0 HG23 ILE A 132 -12.298 7.983 2.242 1.00 2.72 H new ATOM 0 HD11 ILE A 132 -9.578 5.231 0.835 1.00 2.19 H new ATOM 0 HD12 ILE A 132 -10.439 4.535 2.228 1.00 2.19 H new ATOM 0 HD13 ILE A 132 -11.292 5.625 1.109 1.00 2.19 H new ATOM 545 N GLN A 133 -10.990 7.647 6.590 1.00 2.56 N ATOM 546 CA GLN A 133 -11.751 7.664 7.835 1.00 2.81 C ATOM 547 C GLN A 133 -11.547 8.966 8.611 1.00 2.98 C ATOM 548 O GLN A 133 -12.388 9.342 9.429 1.00 3.27 O ATOM 549 CB GLN A 133 -11.384 6.454 8.697 1.00 2.72 C ATOM 550 CG GLN A 133 -11.830 5.134 8.089 1.00 2.73 C ATOM 551 CD GLN A 133 -11.562 3.947 8.994 1.00 2.94 C ATOM 552 OE1 GLN A 133 -10.621 3.948 9.787 1.00 3.49 O ATOM 553 NE2 GLN A 133 -12.392 2.921 8.880 1.00 2.90 N ATOM 0 H GLN A 133 -10.164 7.049 6.610 1.00 2.56 H new ATOM 0 HA GLN A 133 -12.809 7.606 7.578 1.00 2.81 H new ATOM 0 HB2 GLN A 133 -10.304 6.434 8.844 1.00 2.72 H new ATOM 0 HB3 GLN A 133 -11.837 6.566 9.682 1.00 2.72 H new ATOM 0 HG2 GLN A 133 -12.896 5.183 7.869 1.00 2.73 H new ATOM 0 HG3 GLN A 133 -11.315 4.984 7.140 1.00 2.73 H new ATOM 0 HE21 GLN A 133 -13.161 2.959 8.210 1.00 2.90 H new ATOM 0 HE22 GLN A 133 -12.263 2.093 9.462 1.00 2.90 H new ATOM 562 N LYS A 134 -10.434 9.652 8.363 1.00 2.82 N ATOM 563 CA LYS A 134 -10.171 10.940 9.006 1.00 3.02 C ATOM 564 C LYS A 134 -11.065 12.032 8.450 1.00 3.29 C ATOM 565 O LYS A 134 -11.571 12.879 9.191 1.00 3.54 O ATOM 566 CB LYS A 134 -8.719 11.375 8.814 1.00 2.88 C ATOM 567 CG LYS A 134 -7.732 10.661 9.708 1.00 2.85 C ATOM 568 CD LYS A 134 -6.341 11.252 9.564 1.00 2.90 C ATOM 569 CE LYS A 134 -5.370 10.663 10.573 1.00 3.30 C ATOM 570 NZ LYS A 134 -5.213 9.196 10.415 1.00 3.82 N ATOM 0 H LYS A 134 -9.702 9.341 7.725 1.00 2.82 H new ATOM 0 HA LYS A 134 -10.377 10.798 10.067 1.00 3.02 H new ATOM 0 HB2 LYS A 134 -8.436 11.208 7.775 1.00 2.88 H new ATOM 0 HB3 LYS A 134 -8.646 12.447 8.996 1.00 2.88 H new ATOM 0 HG2 LYS A 134 -8.057 10.735 10.746 1.00 2.85 H new ATOM 0 HG3 LYS A 134 -7.708 9.601 9.456 1.00 2.85 H new ATOM 0 HD2 LYS A 134 -5.971 11.070 8.555 1.00 2.90 H new ATOM 0 HD3 LYS A 134 -6.390 12.333 9.695 1.00 2.90 H new ATOM 0 HE2 LYS A 134 -4.398 11.144 10.462 1.00 3.30 H new ATOM 0 HE3 LYS A 134 -5.721 10.882 11.582 1.00 3.30 H new ATOM 0 HZ1 LYS A 134 -4.555 8.838 11.136 1.00 3.82 H new ATOM 0 HZ2 LYS A 134 -6.137 8.734 10.530 1.00 3.82 H new ATOM 0 HZ3 LYS A 134 -4.837 8.987 9.468 1.00 3.82 H new ATOM 584 N GLY A 135 -11.252 12.012 7.144 1.00 3.29 N ATOM 585 CA GLY A 135 -11.935 13.096 6.492 1.00 3.59 C ATOM 586 C GLY A 135 -13.362 12.753 6.122 1.00 4.02 C ATOM 587 O GLY A 135 -13.860 13.285 5.108 1.00 4.46 O ATOM 588 OXT GLY A 135 -14.000 11.956 6.844 1.00 4.40 O ATOM 0 H GLY A 135 -10.942 11.263 6.525 1.00 3.29 H new ATOM 0 HA2 GLY A 135 -11.934 13.967 7.148 1.00 3.59 H new ATOM 0 HA3 GLY A 135 -11.388 13.375 5.591 1.00 3.59 H new TER 592 GLY A 135 ATOM 593 N PRO B 99 13.715 4.915 6.496 1.00 4.97 N ATOM 594 CA PRO B 99 14.453 5.810 5.600 1.00 4.83 C ATOM 595 C PRO B 99 14.225 5.465 4.137 1.00 4.33 C ATOM 596 O PRO B 99 14.360 4.313 3.733 1.00 4.07 O ATOM 597 CB PRO B 99 15.912 5.560 5.984 1.00 5.14 C ATOM 598 CG PRO B 99 15.933 4.148 6.452 1.00 5.27 C ATOM 599 CD PRO B 99 14.602 3.910 7.115 1.00 5.29 C ATOM 0 HA PRO B 99 14.141 6.849 5.704 1.00 4.83 H new ATOM 0 HB2 PRO B 99 16.578 5.707 5.134 1.00 5.14 H new ATOM 0 HB3 PRO B 99 16.240 6.243 6.767 1.00 5.14 H new ATOM 0 HG2 PRO B 99 16.081 3.463 5.617 1.00 5.27 H new ATOM 0 HG3 PRO B 99 16.752 3.981 7.151 1.00 5.27 H new ATOM 0 HD2 PRO B 99 14.243 2.896 6.938 1.00 5.29 H new ATOM 0 HD3 PRO B 99 14.664 4.042 8.195 1.00 5.29 H new ATOM 607 N GLU B 100 13.933 6.493 3.351 1.00 4.31 N ATOM 608 CA GLU B 100 13.471 6.335 1.971 1.00 4.02 C ATOM 609 C GLU B 100 14.464 5.564 1.111 1.00 3.83 C ATOM 610 O GLU B 100 14.066 4.797 0.236 1.00 3.64 O ATOM 611 CB GLU B 100 13.181 7.690 1.342 1.00 4.28 C ATOM 612 CG GLU B 100 14.409 8.492 1.004 1.00 4.51 C ATOM 613 CD GLU B 100 15.185 8.941 2.223 1.00 4.77 C ATOM 614 OE1 GLU B 100 14.782 9.936 2.854 1.00 4.99 O ATOM 615 OE2 GLU B 100 16.195 8.288 2.561 1.00 5.14 O ATOM 0 H GLU B 100 14.009 7.465 3.650 1.00 4.31 H new ATOM 0 HA GLU B 100 12.551 5.752 2.013 1.00 4.02 H new ATOM 0 HB2 GLU B 100 12.599 7.538 0.433 1.00 4.28 H new ATOM 0 HB3 GLU B 100 12.560 8.269 2.025 1.00 4.28 H new ATOM 0 HG2 GLU B 100 15.061 7.894 0.367 1.00 4.51 H new ATOM 0 HG3 GLU B 100 14.115 9.368 0.426 1.00 4.51 H new ATOM 622 N ASN B 101 15.745 5.784 1.360 1.00 4.05 N ATOM 623 CA ASN B 101 16.791 5.110 0.603 1.00 4.09 C ATOM 624 C ASN B 101 16.672 3.590 0.696 1.00 3.98 C ATOM 625 O ASN B 101 16.851 2.887 -0.292 1.00 4.07 O ATOM 626 CB ASN B 101 18.168 5.560 1.080 1.00 4.55 C ATOM 627 CG ASN B 101 19.288 4.946 0.261 1.00 4.75 C ATOM 628 OD1 ASN B 101 20.363 4.654 0.785 1.00 5.19 O ATOM 629 ND2 ASN B 101 19.048 4.760 -1.031 1.00 4.68 N ATOM 0 H ASN B 101 16.086 6.422 2.079 1.00 4.05 H new ATOM 0 HA ASN B 101 16.666 5.388 -0.444 1.00 4.09 H new ATOM 0 HB2 ASN B 101 18.233 6.647 1.024 1.00 4.55 H new ATOM 0 HB3 ASN B 101 18.295 5.287 2.128 1.00 4.55 H new ATOM 0 HD21 ASN B 101 19.769 4.361 -1.631 1.00 4.68 H new ATOM 0 HD22 ASN B 101 18.142 5.016 -1.424 1.00 4.68 H new ATOM 636 N LYS B 102 16.350 3.091 1.876 1.00 3.93 N ATOM 637 CA LYS B 102 16.220 1.658 2.092 1.00 3.87 C ATOM 638 C LYS B 102 14.767 1.238 1.942 1.00 3.43 C ATOM 639 O LYS B 102 14.458 0.102 1.600 1.00 3.32 O ATOM 640 CB LYS B 102 16.734 1.290 3.489 1.00 4.20 C ATOM 641 CG LYS B 102 18.253 1.322 3.643 1.00 4.62 C ATOM 642 CD LYS B 102 18.813 2.730 3.526 1.00 5.18 C ATOM 643 CE LYS B 102 20.317 2.757 3.737 1.00 5.68 C ATOM 644 NZ LYS B 102 20.880 4.116 3.536 1.00 6.27 N ATOM 0 H LYS B 102 16.173 3.659 2.704 1.00 3.93 H new ATOM 0 HA LYS B 102 16.817 1.132 1.347 1.00 3.87 H new ATOM 0 HB2 LYS B 102 16.295 1.975 4.214 1.00 4.20 H new ATOM 0 HB3 LYS B 102 16.379 0.290 3.740 1.00 4.20 H new ATOM 0 HG2 LYS B 102 18.527 0.903 4.611 1.00 4.62 H new ATOM 0 HG3 LYS B 102 18.707 0.688 2.881 1.00 4.62 H new ATOM 0 HD2 LYS B 102 18.576 3.135 2.542 1.00 5.18 H new ATOM 0 HD3 LYS B 102 18.331 3.375 4.260 1.00 5.18 H new ATOM 0 HE2 LYS B 102 20.548 2.414 4.745 1.00 5.68 H new ATOM 0 HE3 LYS B 102 20.793 2.061 3.046 1.00 5.68 H new ATOM 0 HZ1 LYS B 102 21.893 4.110 3.771 1.00 6.27 H new ATOM 0 HZ2 LYS B 102 20.757 4.399 2.543 1.00 6.27 H new ATOM 0 HZ3 LYS B 102 20.385 4.791 4.153 1.00 6.27 H new ATOM 658 N TYR B 103 13.885 2.181 2.207 1.00 3.24 N ATOM 659 CA TYR B 103 12.447 1.996 2.128 1.00 2.85 C ATOM 660 C TYR B 103 12.006 1.670 0.702 1.00 2.56 C ATOM 661 O TYR B 103 11.069 0.898 0.500 1.00 2.28 O ATOM 662 CB TYR B 103 11.808 3.295 2.625 1.00 2.82 C ATOM 663 CG TYR B 103 10.305 3.392 2.566 1.00 2.56 C ATOM 664 CD1 TYR B 103 9.701 4.348 1.763 1.00 2.69 C ATOM 665 CD2 TYR B 103 9.496 2.581 3.343 1.00 2.76 C ATOM 666 CE1 TYR B 103 8.331 4.497 1.731 1.00 2.58 C ATOM 667 CE2 TYR B 103 8.121 2.711 3.311 1.00 2.65 C ATOM 668 CZ TYR B 103 7.543 3.674 2.512 1.00 2.31 C ATOM 669 OH TYR B 103 6.176 3.817 2.507 1.00 2.31 O ATOM 0 H TYR B 103 14.154 3.123 2.491 1.00 3.24 H new ATOM 0 HA TYR B 103 12.132 1.152 2.741 1.00 2.85 H new ATOM 0 HB2 TYR B 103 12.116 3.448 3.659 1.00 2.82 H new ATOM 0 HB3 TYR B 103 12.222 4.119 2.044 1.00 2.82 H new ATOM 0 HD1 TYR B 103 10.317 4.989 1.150 1.00 2.69 H new ATOM 0 HD2 TYR B 103 9.946 1.836 3.983 1.00 2.76 H new ATOM 0 HE1 TYR B 103 7.878 5.249 1.102 1.00 2.58 H new ATOM 0 HE2 TYR B 103 7.501 2.060 3.910 1.00 2.65 H new ATOM 0 HH TYR B 103 5.939 4.677 2.101 1.00 2.31 H new ATOM 679 N LEU B 104 12.702 2.237 -0.284 1.00 2.70 N ATOM 680 CA LEU B 104 12.352 2.077 -1.692 1.00 2.55 C ATOM 681 C LEU B 104 12.468 0.614 -2.150 1.00 2.53 C ATOM 682 O LEU B 104 11.491 0.047 -2.644 1.00 2.25 O ATOM 683 CB LEU B 104 13.244 2.992 -2.546 1.00 2.85 C ATOM 684 CG LEU B 104 13.097 2.847 -4.058 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.673 3.157 -4.487 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.089 3.758 -4.768 1.00 3.18 C ATOM 0 H LEU B 104 13.524 2.820 -0.127 1.00 2.70 H new ATOM 0 HA LEU B 104 11.309 2.364 -1.821 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.031 4.027 -2.278 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.284 2.802 -2.282 1.00 2.85 H new ATOM 0 HG LEU B 104 13.315 1.816 -4.336 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.587 3.049 -5.568 1.00 2.46 H new ATOM 0 HD12 LEU B 104 10.987 2.466 -3.997 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.422 4.179 -4.204 1.00 2.46 H new ATOM 0 HD21 LEU B 104 13.977 3.648 -5.847 1.00 3.18 H new ATOM 0 HD22 LEU B 104 13.897 4.794 -4.487 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.104 3.486 -4.479 1.00 3.18 H new ATOM 698 N PRO B 105 13.648 -0.030 -2.000 1.00 2.88 N ATOM 699 CA PRO B 105 13.828 -1.432 -2.397 1.00 2.95 C ATOM 700 C PRO B 105 12.921 -2.366 -1.602 1.00 2.65 C ATOM 701 O PRO B 105 12.476 -3.398 -2.108 1.00 2.62 O ATOM 702 CB PRO B 105 15.303 -1.715 -2.093 1.00 3.43 C ATOM 703 CG PRO B 105 15.673 -0.686 -1.084 1.00 3.51 C ATOM 704 CD PRO B 105 14.897 0.537 -1.462 1.00 3.28 C ATOM 0 HA PRO B 105 13.569 -1.599 -3.443 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.443 -2.723 -1.703 1.00 3.43 H new ATOM 0 HB3 PRO B 105 15.917 -1.632 -2.990 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.421 -1.015 -0.076 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.745 -0.491 -1.097 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.713 1.182 -0.603 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.423 1.138 -2.204 1.00 3.28 H new ATOM 712 N GLU B 106 12.627 -1.982 -0.363 1.00 2.53 N ATOM 713 CA GLU B 106 11.716 -2.738 0.479 1.00 2.35 C ATOM 714 C GLU B 106 10.319 -2.752 -0.128 1.00 1.89 C ATOM 715 O GLU B 106 9.658 -3.790 -0.173 1.00 1.84 O ATOM 716 CB GLU B 106 11.662 -2.123 1.874 1.00 2.43 C ATOM 717 CG GLU B 106 12.958 -2.252 2.664 1.00 2.88 C ATOM 718 CD GLU B 106 13.345 -3.688 2.953 1.00 3.33 C ATOM 719 OE1 GLU B 106 12.839 -4.258 3.946 1.00 3.62 O ATOM 720 OE2 GLU B 106 14.163 -4.255 2.198 1.00 3.71 O ATOM 0 H GLU B 106 13.011 -1.146 0.079 1.00 2.53 H new ATOM 0 HA GLU B 106 12.081 -3.763 0.550 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.408 -1.067 1.784 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.858 -2.597 2.437 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.763 -1.771 2.108 1.00 2.88 H new ATOM 0 HG3 GLU B 106 12.856 -1.714 3.607 1.00 2.88 H new ATOM 727 N LEU B 107 9.887 -1.590 -0.603 1.00 1.63 N ATOM 728 CA LEU B 107 8.589 -1.454 -1.250 1.00 1.23 C ATOM 729 C LEU B 107 8.525 -2.320 -2.494 1.00 1.08 C ATOM 730 O LEU B 107 7.558 -3.032 -2.715 1.00 0.96 O ATOM 731 CB LEU B 107 8.349 -0.006 -1.660 1.00 1.21 C ATOM 732 CG LEU B 107 8.244 0.995 -0.523 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.331 2.407 -1.065 1.00 1.42 C ATOM 734 CD2 LEU B 107 6.941 0.797 0.223 1.00 1.19 C ATOM 0 H LEU B 107 10.422 -0.723 -0.551 1.00 1.63 H new ATOM 0 HA LEU B 107 7.826 -1.770 -0.538 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.160 0.304 -2.318 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.430 0.039 -2.244 1.00 1.21 H new ATOM 0 HG LEU B 107 9.071 0.835 0.169 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.255 3.118 -0.242 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.285 2.543 -1.575 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.516 2.578 -1.769 1.00 1.42 H new ATOM 0 HD21 LEU B 107 6.874 1.519 1.037 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.105 0.942 -0.461 1.00 1.19 H new ATOM 0 HD23 LEU B 107 6.905 -0.213 0.631 1.00 1.19 H new ATOM 746 N MET B 108 9.586 -2.259 -3.280 1.00 1.26 N ATOM 747 CA MET B 108 9.674 -2.991 -4.528 1.00 1.26 C ATOM 748 C MET B 108 9.705 -4.500 -4.296 1.00 1.17 C ATOM 749 O MET B 108 9.142 -5.260 -5.079 1.00 1.13 O ATOM 750 CB MET B 108 10.915 -2.523 -5.282 1.00 1.64 C ATOM 751 CG MET B 108 11.296 -3.409 -6.446 1.00 1.96 C ATOM 752 SD MET B 108 12.671 -2.749 -7.406 1.00 2.39 S ATOM 753 CE MET B 108 13.955 -2.678 -6.157 1.00 2.67 C ATOM 0 H MET B 108 10.412 -1.699 -3.069 1.00 1.26 H new ATOM 0 HA MET B 108 8.785 -2.788 -5.125 1.00 1.26 H new ATOM 0 HB2 MET B 108 10.745 -1.511 -5.649 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.753 -2.473 -4.587 1.00 1.64 H new ATOM 0 HG2 MET B 108 11.562 -4.398 -6.072 1.00 1.96 H new ATOM 0 HG3 MET B 108 10.432 -3.536 -7.098 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.916 -2.922 -6.609 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.997 -1.674 -5.735 1.00 2.67 H new ATOM 0 HE3 MET B 108 13.734 -3.395 -5.367 1.00 2.67 H new ATOM 763 N ALA B 109 10.348 -4.929 -3.220 1.00 1.27 N ATOM 764 CA ALA B 109 10.397 -6.352 -2.902 1.00 1.30 C ATOM 765 C ALA B 109 9.022 -6.865 -2.480 1.00 0.99 C ATOM 766 O ALA B 109 8.577 -7.916 -2.945 1.00 1.01 O ATOM 767 CB ALA B 109 11.428 -6.629 -1.824 1.00 1.60 C ATOM 0 H ALA B 109 10.837 -4.324 -2.560 1.00 1.27 H new ATOM 0 HA ALA B 109 10.695 -6.888 -3.803 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.446 -7.696 -1.604 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.412 -6.313 -2.172 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.168 -6.077 -0.921 1.00 1.60 H new ATOM 773 N GLU B 110 8.352 -6.114 -1.610 1.00 0.80 N ATOM 774 CA GLU B 110 6.989 -6.464 -1.206 1.00 0.62 C ATOM 775 C GLU B 110 6.073 -6.357 -2.422 1.00 0.45 C ATOM 776 O GLU B 110 5.194 -7.176 -2.640 1.00 0.54 O ATOM 777 CB GLU B 110 6.488 -5.539 -0.094 1.00 0.56 C ATOM 778 CG GLU B 110 7.254 -5.670 1.214 1.00 0.60 C ATOM 779 CD GLU B 110 6.672 -4.801 2.310 1.00 0.83 C ATOM 780 OE1 GLU B 110 5.531 -4.325 2.151 1.00 1.49 O ATOM 781 OE2 GLU B 110 7.346 -4.591 3.342 1.00 1.48 O ATOM 0 H GLU B 110 8.723 -5.269 -1.175 1.00 0.80 H new ATOM 0 HA GLU B 110 6.985 -7.483 -0.820 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.552 -4.507 -0.438 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.435 -5.749 0.092 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.244 -6.711 1.535 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.296 -5.396 1.051 1.00 0.60 H new ATOM 788 N LYS B 111 6.345 -5.333 -3.205 1.00 0.41 N ATOM 789 CA LYS B 111 5.611 -5.109 -4.447 1.00 0.46 C ATOM 790 C LYS B 111 5.711 -6.322 -5.377 1.00 0.47 C ATOM 791 O LYS B 111 4.706 -6.822 -5.875 1.00 0.52 O ATOM 792 CB LYS B 111 6.159 -3.857 -5.134 1.00 0.63 C ATOM 793 CG LYS B 111 5.854 -3.752 -6.614 1.00 0.79 C ATOM 794 CD LYS B 111 6.573 -2.565 -7.227 1.00 0.89 C ATOM 795 CE LYS B 111 6.454 -2.566 -8.743 1.00 1.15 C ATOM 796 NZ LYS B 111 7.146 -1.404 -9.361 1.00 1.89 N ATOM 0 H LYS B 111 7.067 -4.640 -3.009 1.00 0.41 H new ATOM 0 HA LYS B 111 4.556 -4.965 -4.213 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.753 -2.979 -4.632 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.240 -3.831 -4.999 1.00 0.63 H new ATOM 0 HG2 LYS B 111 6.159 -4.669 -7.119 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.779 -3.649 -6.762 1.00 0.79 H new ATOM 0 HD2 LYS B 111 6.156 -1.640 -6.829 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.625 -2.589 -6.943 1.00 0.89 H new ATOM 0 HE2 LYS B 111 6.876 -3.490 -9.138 1.00 1.15 H new ATOM 0 HE3 LYS B 111 5.401 -2.551 -9.023 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 7.039 -1.446 -10.395 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 6.727 -0.521 -9.005 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 8.156 -1.431 -9.116 1.00 1.89 H new ATOM 810 N ASP B 112 6.927 -6.792 -5.593 1.00 0.49 N ATOM 811 CA ASP B 112 7.177 -7.912 -6.500 1.00 0.58 C ATOM 812 C ASP B 112 6.652 -9.234 -5.929 1.00 0.53 C ATOM 813 O ASP B 112 6.362 -10.172 -6.673 1.00 0.63 O ATOM 814 CB ASP B 112 8.679 -8.018 -6.776 1.00 0.72 C ATOM 815 CG ASP B 112 9.034 -9.137 -7.733 1.00 2.65 C ATOM 816 OD1 ASP B 112 9.385 -10.238 -7.262 1.00 3.03 O ATOM 817 OD2 ASP B 112 8.988 -8.918 -8.958 1.00 3.08 O ATOM 0 H ASP B 112 7.766 -6.416 -5.152 1.00 0.49 H new ATOM 0 HA ASP B 112 6.641 -7.722 -7.430 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.034 -7.072 -7.186 1.00 0.72 H new ATOM 0 HB3 ASP B 112 9.204 -8.174 -5.834 1.00 0.72 H new ATOM 822 N SER B 113 6.510 -9.297 -4.613 1.00 0.44 N ATOM 823 CA SER B 113 6.134 -10.537 -3.941 1.00 0.43 C ATOM 824 C SER B 113 4.647 -10.574 -3.578 1.00 0.35 C ATOM 825 O SER B 113 4.093 -11.642 -3.309 1.00 0.40 O ATOM 826 CB SER B 113 6.981 -10.704 -2.681 1.00 0.44 C ATOM 827 OG SER B 113 8.363 -10.662 -2.991 1.00 0.55 O ATOM 0 H SER B 113 6.649 -8.504 -3.987 1.00 0.44 H new ATOM 0 HA SER B 113 6.317 -11.360 -4.632 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.740 -9.915 -1.969 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.741 -11.652 -2.200 1.00 0.44 H new ATOM 0 HG SER B 113 8.662 -9.729 -3.028 1.00 0.55 H new ATOM 833 N LEU B 114 4.005 -9.419 -3.579 1.00 0.27 N ATOM 834 CA LEU B 114 2.613 -9.307 -3.160 1.00 0.23 C ATOM 835 C LEU B 114 1.684 -9.881 -4.227 1.00 0.27 C ATOM 836 O LEU B 114 1.931 -9.726 -5.425 1.00 0.30 O ATOM 837 CB LEU B 114 2.284 -7.838 -2.907 1.00 0.17 C ATOM 838 CG LEU B 114 1.089 -7.566 -1.990 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.467 -7.779 -0.531 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.577 -6.156 -2.192 1.00 0.16 C ATOM 0 H LEU B 114 4.427 -8.536 -3.867 1.00 0.27 H new ATOM 0 HA LEU B 114 2.467 -9.877 -2.242 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.163 -7.358 -2.477 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.096 -7.358 -3.867 1.00 0.17 H new ATOM 0 HG LEU B 114 0.298 -8.269 -2.249 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.602 -7.580 0.102 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.793 -8.809 -0.386 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.277 -7.101 -0.262 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.273 -5.979 -1.532 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.370 -5.444 -1.961 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.265 -6.027 -3.228 1.00 0.16 H new ATOM 852 N ASP B 115 0.629 -10.553 -3.783 1.00 0.29 N ATOM 853 CA ASP B 115 -0.323 -11.181 -4.693 1.00 0.34 C ATOM 854 C ASP B 115 -1.167 -10.117 -5.392 1.00 0.33 C ATOM 855 O ASP B 115 -1.691 -9.205 -4.748 1.00 0.29 O ATOM 856 CB ASP B 115 -1.229 -12.154 -3.929 1.00 0.37 C ATOM 857 CG ASP B 115 -2.081 -13.015 -4.844 1.00 0.49 C ATOM 858 OD1 ASP B 115 -1.764 -14.211 -5.009 1.00 1.23 O ATOM 859 OD2 ASP B 115 -3.078 -12.507 -5.398 1.00 1.21 O ATOM 0 H ASP B 115 0.410 -10.678 -2.795 1.00 0.29 H new ATOM 0 HA ASP B 115 0.233 -11.739 -5.446 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.613 -12.799 -3.302 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.880 -11.588 -3.262 1.00 0.37 H new ATOM 864 N PRO B 116 -1.306 -10.227 -6.725 1.00 0.41 N ATOM 865 CA PRO B 116 -2.008 -9.234 -7.549 1.00 0.46 C ATOM 866 C PRO B 116 -3.486 -9.087 -7.202 1.00 0.42 C ATOM 867 O PRO B 116 -4.117 -8.104 -7.591 1.00 0.47 O ATOM 868 CB PRO B 116 -1.846 -9.767 -8.976 1.00 0.55 C ATOM 869 CG PRO B 116 -1.585 -11.221 -8.806 1.00 0.55 C ATOM 870 CD PRO B 116 -0.781 -11.334 -7.545 1.00 0.50 C ATOM 0 HA PRO B 116 -1.594 -8.237 -7.395 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.744 -9.592 -9.569 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -1.022 -9.274 -9.492 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.517 -11.782 -8.730 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -1.039 -11.625 -9.658 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.923 -12.300 -7.060 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.287 -11.226 -7.735 1.00 0.50 H new ATOM 878 N SER B 117 -4.035 -10.066 -6.483 1.00 0.36 N ATOM 879 CA SER B 117 -5.437 -10.019 -6.076 1.00 0.37 C ATOM 880 C SER B 117 -5.700 -8.801 -5.188 1.00 0.38 C ATOM 881 O SER B 117 -6.832 -8.328 -5.081 1.00 0.56 O ATOM 882 CB SER B 117 -5.831 -11.305 -5.337 1.00 0.37 C ATOM 883 OG SER B 117 -7.236 -11.381 -5.136 1.00 1.30 O ATOM 0 H SER B 117 -3.532 -10.897 -6.172 1.00 0.36 H new ATOM 0 HA SER B 117 -6.047 -9.934 -6.975 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.497 -12.171 -5.908 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.322 -11.343 -4.374 1.00 0.37 H new ATOM 0 HG SER B 117 -7.455 -12.212 -4.664 1.00 1.30 H new ATOM 889 N PHE B 118 -4.650 -8.286 -4.563 1.00 0.28 N ATOM 890 CA PHE B 118 -4.770 -7.101 -3.729 1.00 0.32 C ATOM 891 C PHE B 118 -4.461 -5.864 -4.557 1.00 0.44 C ATOM 892 O PHE B 118 -3.342 -5.355 -4.538 1.00 0.94 O ATOM 893 CB PHE B 118 -3.823 -7.181 -2.536 1.00 0.27 C ATOM 894 CG PHE B 118 -4.003 -8.420 -1.716 1.00 0.23 C ATOM 895 CD1 PHE B 118 -3.393 -9.605 -2.087 1.00 1.22 C ATOM 896 CD2 PHE B 118 -4.778 -8.399 -0.573 1.00 1.21 C ATOM 897 CE1 PHE B 118 -3.551 -10.746 -1.333 1.00 1.21 C ATOM 898 CE2 PHE B 118 -4.940 -9.535 0.188 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.326 -10.711 -0.190 1.00 0.28 C ATOM 0 H PHE B 118 -3.707 -8.671 -4.618 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.790 -7.040 -3.351 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.795 -7.138 -2.894 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -3.976 -6.308 -1.901 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -2.785 -9.635 -2.979 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -5.262 -7.482 -0.273 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -3.071 -11.665 -1.634 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -5.548 -9.505 1.080 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.451 -11.603 0.406 1.00 0.28 H new ATOM 909 N THR B 119 -5.464 -5.389 -5.274 1.00 0.39 N ATOM 910 CA THR B 119 -5.298 -4.278 -6.194 1.00 0.39 C ATOM 911 C THR B 119 -4.782 -3.026 -5.490 1.00 0.41 C ATOM 912 O THR B 119 -3.807 -2.417 -5.919 1.00 0.45 O ATOM 913 CB THR B 119 -6.630 -3.947 -6.890 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.065 -5.068 -7.670 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.491 -2.718 -7.777 1.00 0.45 C ATOM 0 H THR B 119 -6.413 -5.761 -5.235 1.00 0.39 H new ATOM 0 HA THR B 119 -4.560 -4.589 -6.933 1.00 0.39 H new ATOM 0 HB THR B 119 -7.373 -3.731 -6.122 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.914 -4.851 -8.109 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.446 -2.506 -8.257 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.192 -1.863 -7.170 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.735 -2.904 -8.540 1.00 0.45 H new ATOM 923 N HIS B 120 -5.436 -2.652 -4.404 1.00 0.44 N ATOM 924 CA HIS B 120 -5.124 -1.409 -3.719 1.00 0.51 C ATOM 925 C HIS B 120 -3.765 -1.495 -3.039 1.00 0.47 C ATOM 926 O HIS B 120 -2.964 -0.566 -3.129 1.00 0.57 O ATOM 927 CB HIS B 120 -6.216 -1.075 -2.711 1.00 0.60 C ATOM 928 CG HIS B 120 -7.577 -1.003 -3.326 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.912 -0.129 -4.335 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.678 -1.745 -3.097 1.00 1.19 C ATOM 931 CE1 HIS B 120 -9.160 -0.347 -4.700 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.650 -1.323 -3.968 1.00 1.47 N ATOM 0 H HIS B 120 -6.188 -3.192 -3.977 1.00 0.44 H new ATOM 0 HA HIS B 120 -5.079 -0.607 -4.456 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.219 -1.829 -1.924 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.986 -0.120 -2.238 1.00 0.60 H new ATOM 0 HD1 HIS B 120 -7.293 0.575 -4.737 1.00 1.09 H new ATOM 0 HD2 HIS B 120 -8.777 -2.529 -2.361 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.692 0.188 -5.473 1.00 1.40 H new ATOM 941 N ALA B 121 -3.508 -2.618 -2.378 1.00 0.37 N ATOM 942 CA ALA B 121 -2.217 -2.863 -1.739 1.00 0.33 C ATOM 943 C ALA B 121 -1.093 -2.810 -2.762 1.00 0.38 C ATOM 944 O ALA B 121 -0.024 -2.249 -2.515 1.00 0.47 O ATOM 945 CB ALA B 121 -2.228 -4.211 -1.040 1.00 0.27 C ATOM 0 H ALA B 121 -4.180 -3.378 -2.269 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.044 -2.082 -0.999 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.261 -4.384 -0.567 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.010 -4.221 -0.281 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.421 -4.998 -1.770 1.00 0.27 H new ATOM 951 N MET B 122 -1.366 -3.374 -3.924 1.00 0.35 N ATOM 952 CA MET B 122 -0.412 -3.391 -5.020 1.00 0.34 C ATOM 953 C MET B 122 -0.240 -1.999 -5.611 1.00 0.38 C ATOM 954 O MET B 122 0.868 -1.587 -5.958 1.00 0.41 O ATOM 955 CB MET B 122 -0.873 -4.376 -6.097 1.00 0.37 C ATOM 956 CG MET B 122 -0.560 -5.829 -5.784 1.00 0.38 C ATOM 957 SD MET B 122 1.066 -6.349 -6.376 1.00 0.49 S ATOM 958 CE MET B 122 2.150 -5.208 -5.519 1.00 0.63 C ATOM 0 H MET B 122 -2.252 -3.832 -4.135 1.00 0.35 H new ATOM 0 HA MET B 122 0.554 -3.714 -4.634 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.949 -4.269 -6.235 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.402 -4.110 -7.043 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.613 -5.982 -4.706 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.324 -6.464 -6.234 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.183 -5.403 -5.805 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.886 -4.185 -5.787 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.040 -5.341 -4.443 1.00 0.63 H new ATOM 968 N GLN B 123 -1.342 -1.272 -5.706 1.00 0.44 N ATOM 969 CA GLN B 123 -1.320 0.080 -6.243 1.00 0.53 C ATOM 970 C GLN B 123 -0.590 1.036 -5.302 1.00 0.54 C ATOM 971 O GLN B 123 0.205 1.859 -5.753 1.00 0.62 O ATOM 972 CB GLN B 123 -2.744 0.563 -6.548 1.00 0.65 C ATOM 973 CG GLN B 123 -2.896 2.077 -6.636 1.00 0.83 C ATOM 974 CD GLN B 123 -4.323 2.510 -6.940 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.294 1.721 -6.497 1.00 1.60 O flip ATOM 976 NE2 GLN B 123 -4.551 3.544 -7.568 1.00 1.76 N flip ATOM 0 H GLN B 123 -2.265 -1.596 -5.418 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.765 0.066 -7.181 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.068 0.123 -7.491 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.414 0.188 -5.774 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.578 2.525 -5.694 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.232 2.460 -7.411 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -3.778 4.125 -7.892 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.513 3.820 -7.764 1.00 1.76 H new ATOM 985 N LEU B 124 -0.835 0.919 -4.007 1.00 0.49 N ATOM 986 CA LEU B 124 -0.195 1.803 -3.042 1.00 0.50 C ATOM 987 C LEU B 124 1.311 1.548 -2.986 1.00 0.45 C ATOM 988 O LEU B 124 2.098 2.480 -2.826 1.00 0.52 O ATOM 989 CB LEU B 124 -0.850 1.676 -1.670 1.00 0.50 C ATOM 990 CG LEU B 124 -2.320 2.097 -1.633 1.00 0.56 C ATOM 991 CD1 LEU B 124 -2.994 1.581 -0.372 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.441 3.612 -1.721 1.00 0.83 C ATOM 0 H LEU B 124 -1.466 0.228 -3.601 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.335 2.833 -3.371 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.772 0.641 -1.338 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.292 2.283 -0.957 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.825 1.659 -2.494 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.039 1.891 -0.365 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.938 0.493 -0.349 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.489 1.989 0.504 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.493 3.895 -1.693 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -1.920 4.068 -0.879 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -1.996 3.959 -2.654 1.00 0.83 H new ATOM 1004 N LEU B 125 1.705 0.282 -3.141 1.00 0.37 N ATOM 1005 CA LEU B 125 3.122 -0.073 -3.222 1.00 0.35 C ATOM 1006 C LEU B 125 3.726 0.538 -4.473 1.00 0.46 C ATOM 1007 O LEU B 125 4.851 1.029 -4.458 1.00 0.52 O ATOM 1008 CB LEU B 125 3.307 -1.592 -3.271 1.00 0.28 C ATOM 1009 CG LEU B 125 3.224 -2.319 -1.934 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.181 -3.816 -2.173 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.415 -1.961 -1.055 1.00 0.33 C ATOM 0 H LEU B 125 1.066 -0.510 -3.213 1.00 0.37 H new ATOM 0 HA LEU B 125 3.621 0.312 -2.333 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.551 -2.009 -3.936 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.278 -1.806 -3.718 1.00 0.28 H new ATOM 0 HG LEU B 125 2.315 -2.009 -1.419 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.122 -4.336 -1.217 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.307 -4.063 -2.775 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.084 -4.127 -2.699 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.338 -2.490 -0.105 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.338 -2.250 -1.557 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.423 -0.886 -0.873 1.00 0.33 H new ATOM 1023 N THR B 126 2.952 0.520 -5.545 1.00 0.55 N ATOM 1024 CA THR B 126 3.424 1.037 -6.814 1.00 0.74 C ATOM 1025 C THR B 126 3.644 2.545 -6.722 1.00 0.92 C ATOM 1026 O THR B 126 4.702 3.055 -7.095 1.00 1.07 O ATOM 1027 CB THR B 126 2.417 0.724 -7.940 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.265 -0.697 -8.082 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.864 1.331 -9.262 1.00 0.91 C ATOM 0 H THR B 126 2.000 0.155 -5.560 1.00 0.55 H new ATOM 0 HA THR B 126 4.371 0.551 -7.048 1.00 0.74 H new ATOM 0 HB THR B 126 1.458 1.166 -7.669 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.618 -1.024 -7.423 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.135 1.094 -10.036 1.00 0.91 H new ATOM 0 HG22 THR B 126 2.943 2.413 -9.157 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.835 0.922 -9.540 1.00 0.91 H new ATOM 1037 N ALA B 127 2.647 3.232 -6.172 1.00 0.96 N ATOM 1038 CA ALA B 127 2.658 4.687 -6.080 1.00 1.09 C ATOM 1039 C ALA B 127 3.786 5.203 -5.189 1.00 1.18 C ATOM 1040 O ALA B 127 4.469 6.169 -5.534 1.00 1.38 O ATOM 1041 CB ALA B 127 1.314 5.170 -5.557 1.00 1.18 C ATOM 0 H ALA B 127 1.812 2.797 -5.779 1.00 0.96 H new ATOM 0 HA ALA B 127 2.835 5.083 -7.080 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.320 6.258 -5.487 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.524 4.854 -6.238 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.133 4.744 -4.570 1.00 1.18 H new ATOM 1047 N GLU B 128 3.961 4.571 -4.028 1.00 1.12 N ATOM 1048 CA GLU B 128 4.983 4.992 -3.073 1.00 1.31 C ATOM 1049 C GLU B 128 6.374 4.884 -3.689 1.00 1.38 C ATOM 1050 O GLU B 128 7.229 5.746 -3.485 1.00 1.62 O ATOM 1051 CB GLU B 128 4.911 4.145 -1.803 1.00 1.35 C ATOM 1052 CG GLU B 128 5.713 4.711 -0.644 1.00 1.46 C ATOM 1053 CD GLU B 128 5.062 5.926 -0.012 1.00 1.46 C ATOM 1054 OE1 GLU B 128 4.910 5.945 1.226 1.00 2.01 O ATOM 1055 OE2 GLU B 128 4.694 6.865 -0.743 1.00 1.95 O ATOM 0 H GLU B 128 3.409 3.768 -3.728 1.00 1.12 H new ATOM 0 HA GLU B 128 4.794 6.034 -2.814 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.868 4.050 -1.499 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.271 3.141 -2.026 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.841 3.938 0.114 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.709 4.981 -0.996 1.00 1.46 H new ATOM 1062 N ILE B 129 6.576 3.831 -4.471 1.00 1.24 N ATOM 1063 CA ILE B 129 7.839 3.639 -5.162 1.00 1.42 C ATOM 1064 C ILE B 129 8.040 4.733 -6.199 1.00 1.64 C ATOM 1065 O ILE B 129 9.133 5.283 -6.336 1.00 1.92 O ATOM 1066 CB ILE B 129 7.912 2.254 -5.826 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.886 1.184 -4.746 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.164 2.117 -6.686 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.793 -0.219 -5.281 1.00 1.01 C ATOM 0 H ILE B 129 5.883 3.102 -4.640 1.00 1.24 H new ATOM 0 HA ILE B 129 8.638 3.696 -4.423 1.00 1.42 H new ATOM 0 HB ILE B 129 7.051 2.132 -6.484 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.787 1.272 -4.139 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.038 1.368 -4.086 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.186 1.127 -7.141 1.00 1.59 H new ATOM 0 HG22 ILE B 129 9.153 2.876 -7.468 1.00 1.59 H new ATOM 0 HG23 ILE B 129 10.049 2.250 -6.064 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.779 -0.925 -4.451 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.878 -0.326 -5.864 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.654 -0.424 -5.917 1.00 1.01 H new ATOM 1081 N GLU B 130 6.959 5.069 -6.893 1.00 1.55 N ATOM 1082 CA GLU B 130 6.976 6.148 -7.865 1.00 1.76 C ATOM 1083 C GLU B 130 7.391 7.453 -7.197 1.00 1.94 C ATOM 1084 O GLU B 130 8.174 8.216 -7.743 1.00 2.19 O ATOM 1085 CB GLU B 130 5.593 6.322 -8.494 1.00 1.67 C ATOM 1086 CG GLU B 130 5.147 5.159 -9.361 1.00 1.60 C ATOM 1087 CD GLU B 130 3.798 5.418 -10.002 1.00 1.81 C ATOM 1088 OE1 GLU B 130 2.769 5.016 -9.426 1.00 2.25 O ATOM 1089 OE2 GLU B 130 3.760 6.058 -11.074 1.00 2.16 O ATOM 0 H GLU B 130 6.056 4.605 -6.797 1.00 1.55 H new ATOM 0 HA GLU B 130 7.695 5.894 -8.643 1.00 1.76 H new ATOM 0 HB2 GLU B 130 4.862 6.468 -7.699 1.00 1.67 H new ATOM 0 HB3 GLU B 130 5.593 7.230 -9.097 1.00 1.67 H new ATOM 0 HG2 GLU B 130 5.890 4.979 -10.138 1.00 1.60 H new ATOM 0 HG3 GLU B 130 5.094 4.254 -8.756 1.00 1.60 H new ATOM 1096 N LYS B 131 6.885 7.674 -5.986 1.00 1.85 N ATOM 1097 CA LYS B 131 7.119 8.915 -5.255 1.00 2.07 C ATOM 1098 C LYS B 131 8.590 9.071 -4.881 1.00 2.28 C ATOM 1099 O LYS B 131 9.168 10.147 -5.049 1.00 2.53 O ATOM 1100 CB LYS B 131 6.261 8.957 -3.993 1.00 2.03 C ATOM 1101 CG LYS B 131 6.267 10.308 -3.292 1.00 2.33 C ATOM 1102 CD LYS B 131 5.590 10.229 -1.936 1.00 2.59 C ATOM 1103 CE LYS B 131 6.434 9.447 -0.944 1.00 3.17 C ATOM 1104 NZ LYS B 131 5.689 9.148 0.302 1.00 3.73 N ATOM 0 H LYS B 131 6.304 7.001 -5.486 1.00 1.85 H new ATOM 0 HA LYS B 131 6.842 9.741 -5.910 1.00 2.07 H new ATOM 0 HB2 LYS B 131 5.235 8.698 -4.254 1.00 2.03 H new ATOM 0 HB3 LYS B 131 6.616 8.196 -3.298 1.00 2.03 H new ATOM 0 HG2 LYS B 131 7.294 10.651 -3.169 1.00 2.33 H new ATOM 0 HG3 LYS B 131 5.757 11.045 -3.913 1.00 2.33 H new ATOM 0 HD2 LYS B 131 5.415 11.235 -1.555 1.00 2.59 H new ATOM 0 HD3 LYS B 131 4.614 9.754 -2.041 1.00 2.59 H new ATOM 0 HE2 LYS B 131 6.763 8.515 -1.403 1.00 3.17 H new ATOM 0 HE3 LYS B 131 7.331 10.017 -0.702 1.00 3.17 H new ATOM 0 HZ1 LYS B 131 6.349 8.799 1.026 1.00 3.73 H new ATOM 0 HZ2 LYS B 131 5.225 10.013 0.645 1.00 3.73 H new ATOM 0 HZ3 LYS B 131 4.969 8.422 0.110 1.00 3.73 H new ATOM 1118 N ILE B 132 9.194 7.999 -4.380 1.00 2.21 N ATOM 1119 CA ILE B 132 10.606 8.029 -4.020 1.00 2.47 C ATOM 1120 C ILE B 132 11.475 8.181 -5.261 1.00 2.68 C ATOM 1121 O ILE B 132 12.465 8.911 -5.257 1.00 2.98 O ATOM 1122 CB ILE B 132 11.028 6.749 -3.272 1.00 2.40 C ATOM 1123 CG1 ILE B 132 10.015 6.417 -2.180 1.00 2.18 C ATOM 1124 CG2 ILE B 132 12.416 6.920 -2.668 1.00 2.72 C ATOM 1125 CD1 ILE B 132 10.399 5.215 -1.352 1.00 2.19 C ATOM 0 H ILE B 132 8.732 7.105 -4.215 1.00 2.21 H new ATOM 0 HA ILE B 132 10.748 8.886 -3.362 1.00 2.47 H new ATOM 0 HB ILE B 132 11.058 5.925 -3.985 1.00 2.40 H new ATOM 0 HG12 ILE B 132 9.903 7.280 -1.524 1.00 2.18 H new ATOM 0 HG13 ILE B 132 9.043 6.237 -2.639 1.00 2.18 H new ATOM 0 HG21 ILE B 132 12.699 6.008 -2.143 1.00 2.72 H new ATOM 0 HG22 ILE B 132 13.136 7.121 -3.461 1.00 2.72 H new ATOM 0 HG23 ILE B 132 12.407 7.754 -1.966 1.00 2.72 H new ATOM 0 HD11 ILE B 132 9.635 5.036 -0.595 1.00 2.19 H new ATOM 0 HD12 ILE B 132 10.483 4.340 -1.997 1.00 2.19 H new ATOM 0 HD13 ILE B 132 11.356 5.400 -0.865 1.00 2.19 H new ATOM 1137 N GLN B 133 11.093 7.485 -6.321 1.00 2.56 N ATOM 1138 CA GLN B 133 11.853 7.503 -7.567 1.00 2.81 C ATOM 1139 C GLN B 133 11.671 8.817 -8.334 1.00 2.97 C ATOM 1140 O GLN B 133 12.511 9.178 -9.156 1.00 3.27 O ATOM 1141 CB GLN B 133 11.468 6.306 -8.442 1.00 2.72 C ATOM 1142 CG GLN B 133 11.889 4.971 -7.848 1.00 2.73 C ATOM 1143 CD GLN B 133 11.600 3.796 -8.762 1.00 2.94 C ATOM 1144 OE1 GLN B 133 10.663 3.821 -9.559 1.00 3.49 O ATOM 1145 NE2 GLN B 133 12.412 2.757 -8.657 1.00 2.90 N ATOM 0 H GLN B 133 10.259 6.898 -6.346 1.00 2.56 H new ATOM 0 HA GLN B 133 12.909 7.427 -7.308 1.00 2.81 H new ATOM 0 HB2 GLN B 133 10.388 6.306 -8.592 1.00 2.72 H new ATOM 0 HB3 GLN B 133 11.926 6.420 -9.425 1.00 2.72 H new ATOM 0 HG2 GLN B 133 12.956 4.998 -7.628 1.00 2.73 H new ATOM 0 HG3 GLN B 133 11.372 4.822 -6.900 1.00 2.73 H new ATOM 0 HE21 GLN B 133 13.178 2.774 -7.984 1.00 2.90 H new ATOM 0 HE22 GLN B 133 12.272 1.939 -9.249 1.00 2.90 H new ATOM 1154 N LYS B 134 10.571 9.522 -8.078 1.00 2.82 N ATOM 1155 CA LYS B 134 10.332 10.822 -8.705 1.00 3.02 C ATOM 1156 C LYS B 134 11.246 11.888 -8.132 1.00 3.29 C ATOM 1157 O LYS B 134 11.781 12.724 -8.862 1.00 3.54 O ATOM 1158 CB LYS B 134 8.889 11.284 -8.505 1.00 2.88 C ATOM 1159 CG LYS B 134 7.889 10.594 -9.402 1.00 2.84 C ATOM 1160 CD LYS B 134 6.509 11.209 -9.253 1.00 2.90 C ATOM 1161 CE LYS B 134 5.528 10.644 -10.266 1.00 3.30 C ATOM 1162 NZ LYS B 134 5.349 9.178 -10.119 1.00 3.82 N ATOM 0 H LYS B 134 9.833 9.217 -7.443 1.00 2.82 H new ATOM 0 HA LYS B 134 10.534 10.690 -9.768 1.00 3.02 H new ATOM 0 HB2 LYS B 134 8.606 11.115 -7.466 1.00 2.88 H new ATOM 0 HB3 LYS B 134 8.836 12.359 -8.679 1.00 2.88 H new ATOM 0 HG2 LYS B 134 8.214 10.668 -10.440 1.00 2.84 H new ATOM 0 HG3 LYS B 134 7.847 9.533 -9.157 1.00 2.84 H new ATOM 0 HD2 LYS B 134 6.136 11.026 -8.245 1.00 2.90 H new ATOM 0 HD3 LYS B 134 6.577 12.290 -9.377 1.00 2.90 H new ATOM 0 HE2 LYS B 134 4.564 11.139 -10.150 1.00 3.30 H new ATOM 0 HE3 LYS B 134 5.881 10.866 -11.273 1.00 3.30 H new ATOM 0 HZ1 LYS B 134 4.634 8.846 -10.797 1.00 3.82 H new ATOM 0 HZ2 LYS B 134 6.252 8.698 -10.306 1.00 3.82 H new ATOM 0 HZ3 LYS B 134 5.035 8.962 -9.151 1.00 3.82 H new ATOM 1176 N GLY B 135 11.427 11.853 -6.826 1.00 3.29 N ATOM 1177 CA GLY B 135 12.130 12.920 -6.163 1.00 3.59 C ATOM 1178 C GLY B 135 13.544 12.543 -5.782 1.00 4.02 C ATOM 1179 O GLY B 135 14.045 13.061 -4.766 1.00 4.46 O ATOM 1180 OXT GLY B 135 14.162 11.726 -6.495 1.00 4.40 O ATOM 0 H GLY B 135 11.100 11.105 -6.214 1.00 3.29 H new ATOM 0 HA2 GLY B 135 12.155 13.793 -6.815 1.00 3.59 H new ATOM 0 HA3 GLY B 135 11.582 13.208 -5.266 1.00 3.59 H new TER 1184 GLY B 135