USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1160 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 145 SER OG : rot 100:sc= -0.329 USER MOD Set 1.2: A 148 THR OG1 : rot 131:sc= -1.26 USER MOD Set 2.1: A 94 HIS : no HE2:sc= 0.535 K(o=-2.2,f=-7.1!) USER MOD Set 2.2: A 137 TYR OH : rot -50:sc= -2.77! USER MOD Set 3.1: A 86 ASN : amide:sc= -0.784 X(o=-1.8,f=-1.5) USER MOD Set 3.2: A 89 SER OG : rot 163:sc= -0.999 USER MOD Set 4.1: A 87 THR OG1 : rot -18:sc= 0.345 USER MOD Set 4.2: A 124 THR OG1 : rot -57:sc= 1.47 USER MOD Set 5.1: A 16 LYS NZ :NH3+ -143:sc= 0.741 (180deg=-1.4) USER MOD Set 5.2: A 58 THR OG1 : rot -101:sc= 1.21 USER MOD Set 6.1: A 1 MET CE :methyl -118:sc= -0.887 (180deg=-1.33) USER MOD Set 6.2: A 43 GLN : amide:sc= -1.24 X(o=-2.1,f=-1.9) USER MOD Single : A 1 MET N :NH3+ -134:sc= 1.43 (180deg=0.0836) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 20 THR OG1 : rot 85:sc= 1.17 USER MOD Single : A 22 GLN : amide:sc= -0.57 K(o=-0.57,f=-2.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.728 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 5:sc= 0.0944 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.1!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -162:sc= -1.38 (180deg=-1.86) USER MOD Single : A 74 THR OG1 : rot -11:sc= -0.246 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= 0.759 F(o=-0.0044,f=0.76) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.2!) USER MOD Single : A 96 TYR OH : rot 110:sc= -1.75 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.207! F(o=-1.4,f=-0.21!) USER MOD Single : A 101 LYS NZ :NH3+ -152:sc= -0.644 (180deg=-3) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 47:sc= 1.25 USER MOD Single : A 111 MET CE :methyl -176:sc= -2.57! (180deg=-2.86!) USER MOD Single : A 116 ASN : amide:sc= 0.122 K(o=0.12,f=-9.7!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot -39:sc= -0.154 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot 180:sc= -0.0199 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 69:sc= 0.261 USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 HIS : no HE2:sc= -0.658 X(o=-0.66,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.389 -1.133 23.108 1.00 71.23 N ATOM 2 CA MET A 1 -0.208 -0.745 21.803 1.00 53.43 C ATOM 3 C MET A 1 -0.617 -1.973 20.996 1.00 35.43 C ATOM 4 O MET A 1 -0.270 -3.102 21.346 1.00 14.11 O ATOM 5 CB MET A 1 0.818 0.081 21.024 1.00 33.10 C ATOM 6 CG MET A 1 2.081 -0.690 20.678 1.00 13.22 C ATOM 7 SD MET A 1 3.268 -0.723 22.034 1.00 54.22 S ATOM 8 CE MET A 1 3.698 1.011 22.148 1.00 24.44 C ATOM 0 H1 MET A 1 -0.021 -0.549 23.865 1.00 71.23 H new ATOM 0 H2 MET A 1 0.188 -2.136 23.297 1.00 71.23 H new ATOM 0 H3 MET A 1 1.418 -0.986 23.076 1.00 71.23 H new ATOM 0 HA MET A 1 -1.108 -0.156 21.982 1.00 53.43 H new ATOM 0 HB2 MET A 1 0.359 0.442 20.104 1.00 33.10 H new ATOM 0 HB3 MET A 1 1.087 0.959 21.611 1.00 33.10 H new ATOM 0 HG2 MET A 1 1.815 -1.712 20.408 1.00 13.22 H new ATOM 0 HG3 MET A 1 2.548 -0.240 19.802 1.00 13.22 H new ATOM 0 HE1 MET A 1 4.761 1.137 21.941 1.00 24.44 H new ATOM 0 HE2 MET A 1 3.117 1.578 21.421 1.00 24.44 H new ATOM 0 HE3 MET A 1 3.478 1.375 23.152 1.00 24.44 H new ATOM 18 N THR A 2 -1.356 -1.746 19.916 1.00 74.24 N ATOM 19 CA THR A 2 -1.813 -2.834 19.059 1.00 65.54 C ATOM 20 C THR A 2 -0.897 -2.991 17.845 1.00 75.51 C ATOM 21 O THR A 2 -0.309 -2.021 17.370 1.00 11.13 O ATOM 22 CB THR A 2 -3.268 -2.587 18.623 1.00 1.20 C ATOM 23 OG1 THR A 2 -4.105 -3.638 19.070 1.00 51.22 O ATOM 24 CG2 THR A 2 -3.458 -2.462 17.123 1.00 22.21 C ATOM 0 H THR A 2 -1.652 -0.818 19.613 1.00 74.24 H new ATOM 0 HA THR A 2 -1.775 -3.764 19.626 1.00 65.54 H new ATOM 0 HB THR A 2 -3.535 -1.632 19.076 1.00 1.20 H new ATOM 0 HG1 THR A 2 -5.027 -3.465 18.786 1.00 51.22 H new ATOM 0 HG21 THR A 2 -4.511 -2.289 16.903 1.00 22.21 H new ATOM 0 HG22 THR A 2 -2.867 -1.625 16.750 1.00 22.21 H new ATOM 0 HG23 THR A 2 -3.132 -3.382 16.637 1.00 22.21 H new ATOM 32 N GLU A 3 -0.785 -4.220 17.351 1.00 65.53 N ATOM 33 CA GLU A 3 0.056 -4.504 16.193 1.00 43.02 C ATOM 34 C GLU A 3 -0.791 -4.675 14.936 1.00 13.23 C ATOM 35 O GLU A 3 -1.523 -5.655 14.797 1.00 63.52 O ATOM 36 CB GLU A 3 0.890 -5.764 16.440 1.00 15.15 C ATOM 37 CG GLU A 3 2.373 -5.485 16.621 1.00 31.21 C ATOM 38 CD GLU A 3 3.175 -6.744 16.884 1.00 52.31 C ATOM 39 OE1 GLU A 3 3.047 -7.705 16.097 1.00 64.14 O ATOM 40 OE2 GLU A 3 3.932 -6.769 17.878 1.00 65.34 O ATOM 0 H GLU A 3 -1.265 -5.034 17.734 1.00 65.53 H new ATOM 0 HA GLU A 3 0.727 -3.658 16.043 1.00 43.02 H new ATOM 0 HB2 GLU A 3 0.513 -6.271 17.328 1.00 15.15 H new ATOM 0 HB3 GLU A 3 0.757 -6.448 15.602 1.00 15.15 H new ATOM 0 HG2 GLU A 3 2.758 -4.993 15.728 1.00 31.21 H new ATOM 0 HG3 GLU A 3 2.510 -4.791 17.451 1.00 31.21 H new ATOM 47 N TYR A 4 -0.687 -3.715 14.022 1.00 63.33 N ATOM 48 CA TYR A 4 -1.445 -3.761 12.777 1.00 42.33 C ATOM 49 C TYR A 4 -0.592 -4.311 11.639 1.00 1.43 C ATOM 50 O TYR A 4 0.407 -3.707 11.248 1.00 11.23 O ATOM 51 CB TYR A 4 -1.963 -2.368 12.416 1.00 61.53 C ATOM 52 CG TYR A 4 -3.204 -1.967 13.182 1.00 63.54 C ATOM 53 CD1 TYR A 4 -4.343 -2.762 13.160 1.00 21.51 C ATOM 54 CD2 TYR A 4 -3.235 -0.795 13.926 1.00 3.22 C ATOM 55 CE1 TYR A 4 -5.479 -2.400 13.859 1.00 31.30 C ATOM 56 CE2 TYR A 4 -4.368 -0.426 14.628 1.00 40.44 C ATOM 57 CZ TYR A 4 -5.486 -1.231 14.591 1.00 30.32 C ATOM 58 OH TYR A 4 -6.615 -0.868 15.289 1.00 33.13 O ATOM 0 H TYR A 4 -0.086 -2.897 14.120 1.00 63.33 H new ATOM 0 HA TYR A 4 -2.294 -4.428 12.925 1.00 42.33 H new ATOM 0 HB2 TYR A 4 -1.177 -1.637 12.605 1.00 61.53 H new ATOM 0 HB3 TYR A 4 -2.179 -2.335 11.348 1.00 61.53 H new ATOM 0 HD1 TYR A 4 -4.341 -3.678 12.587 1.00 21.51 H new ATOM 0 HD2 TYR A 4 -2.361 -0.162 13.957 1.00 3.22 H new ATOM 0 HE1 TYR A 4 -6.356 -3.029 13.832 1.00 31.30 H new ATOM 0 HE2 TYR A 4 -4.377 0.489 15.202 1.00 40.44 H new ATOM 0 HH TYR A 4 -6.454 -0.020 15.753 1.00 33.13 H new ATOM 68 N LYS A 5 -0.997 -5.461 11.111 1.00 22.42 N ATOM 69 CA LYS A 5 -0.276 -6.099 10.016 1.00 73.40 C ATOM 70 C LYS A 5 -0.819 -5.635 8.668 1.00 62.01 C ATOM 71 O LYS A 5 -1.768 -6.212 8.138 1.00 62.34 O ATOM 72 CB LYS A 5 -0.386 -7.618 10.132 1.00 33.41 C ATOM 73 CG LYS A 5 0.848 -8.265 10.735 1.00 12.24 C ATOM 74 CD LYS A 5 1.882 -8.589 9.668 1.00 42.14 C ATOM 75 CE LYS A 5 2.370 -10.020 9.790 1.00 22.21 C ATOM 76 NZ LYS A 5 3.837 -10.127 9.572 1.00 13.33 N ATOM 0 H LYS A 5 -1.823 -5.971 11.425 1.00 22.42 H new ATOM 0 HA LYS A 5 0.773 -5.811 10.080 1.00 73.40 H new ATOM 0 HB2 LYS A 5 -1.254 -7.867 10.743 1.00 33.41 H new ATOM 0 HB3 LYS A 5 -0.562 -8.039 9.142 1.00 33.41 H new ATOM 0 HG2 LYS A 5 1.285 -7.597 11.477 1.00 12.24 H new ATOM 0 HG3 LYS A 5 0.563 -9.178 11.257 1.00 12.24 H new ATOM 0 HD2 LYS A 5 1.449 -8.433 8.680 1.00 42.14 H new ATOM 0 HD3 LYS A 5 2.726 -7.906 9.757 1.00 42.14 H new ATOM 0 HE2 LYS A 5 2.121 -10.405 10.779 1.00 22.21 H new ATOM 0 HE3 LYS A 5 1.849 -10.644 9.064 1.00 22.21 H new ATOM 0 HZ1 LYS A 5 4.130 -11.121 9.664 1.00 13.33 H new ATOM 0 HZ2 LYS A 5 4.072 -9.783 8.619 1.00 13.33 H new ATOM 0 HZ3 LYS A 5 4.336 -9.552 10.280 1.00 13.33 H new ATOM 90 N LEU A 6 -0.214 -4.584 8.120 1.00 63.22 N ATOM 91 CA LEU A 6 -0.642 -4.039 6.836 1.00 31.10 C ATOM 92 C LEU A 6 0.135 -4.669 5.684 1.00 3.35 C ATOM 93 O LEU A 6 1.358 -4.803 5.745 1.00 35.30 O ATOM 94 CB LEU A 6 -0.458 -2.520 6.817 1.00 22.04 C ATOM 95 CG LEU A 6 -0.954 -1.791 8.068 1.00 25.50 C ATOM 96 CD1 LEU A 6 -0.794 -0.285 7.909 1.00 73.43 C ATOM 97 CD2 LEU A 6 -2.405 -2.150 8.351 1.00 21.04 C ATOM 0 H LEU A 6 0.573 -4.094 8.545 1.00 63.22 H new ATOM 0 HA LEU A 6 -1.698 -4.275 6.707 1.00 31.10 H new ATOM 0 HB2 LEU A 6 0.601 -2.299 6.683 1.00 22.04 H new ATOM 0 HB3 LEU A 6 -0.980 -2.117 5.949 1.00 22.04 H new ATOM 0 HG LEU A 6 -0.349 -2.110 8.917 1.00 25.50 H new ATOM 0 HD11 LEU A 6 -1.152 0.216 8.808 1.00 73.43 H new ATOM 0 HD12 LEU A 6 0.258 -0.045 7.754 1.00 73.43 H new ATOM 0 HD13 LEU A 6 -1.373 0.054 7.050 1.00 73.43 H new ATOM 0 HD21 LEU A 6 -2.743 -1.623 9.244 1.00 21.04 H new ATOM 0 HD22 LEU A 6 -3.024 -1.859 7.502 1.00 21.04 H new ATOM 0 HD23 LEU A 6 -2.489 -3.225 8.510 1.00 21.04 H new ATOM 109 N VAL A 7 -0.584 -5.052 4.634 1.00 75.00 N ATOM 110 CA VAL A 7 0.029 -5.666 3.467 1.00 62.35 C ATOM 111 C VAL A 7 -0.011 -4.720 2.269 1.00 73.25 C ATOM 112 O VAL A 7 -1.060 -4.525 1.655 1.00 34.42 O ATOM 113 CB VAL A 7 -0.682 -6.984 3.101 1.00 23.31 C ATOM 114 CG1 VAL A 7 -0.192 -7.514 1.764 1.00 20.23 C ATOM 115 CG2 VAL A 7 -0.477 -8.018 4.196 1.00 21.03 C ATOM 0 H VAL A 7 -1.596 -4.946 4.570 1.00 75.00 H new ATOM 0 HA VAL A 7 1.068 -5.880 3.718 1.00 62.35 H new ATOM 0 HB VAL A 7 -1.749 -6.782 3.011 1.00 23.31 H new ATOM 0 HG11 VAL A 7 -0.709 -8.444 1.530 1.00 20.23 H new ATOM 0 HG12 VAL A 7 -0.395 -6.779 0.985 1.00 20.23 H new ATOM 0 HG13 VAL A 7 0.881 -7.699 1.817 1.00 20.23 H new ATOM 0 HG21 VAL A 7 -0.985 -8.943 3.923 1.00 21.03 H new ATOM 0 HG22 VAL A 7 0.589 -8.212 4.319 1.00 21.03 H new ATOM 0 HG23 VAL A 7 -0.887 -7.642 5.133 1.00 21.03 H new ATOM 125 N VAL A 8 1.138 -4.139 1.939 1.00 54.03 N ATOM 126 CA VAL A 8 1.232 -3.220 0.814 1.00 71.33 C ATOM 127 C VAL A 8 1.321 -3.982 -0.504 1.00 13.42 C ATOM 128 O VAL A 8 1.994 -5.009 -0.595 1.00 24.43 O ATOM 129 CB VAL A 8 2.456 -2.296 0.949 1.00 1.40 C ATOM 130 CG1 VAL A 8 2.467 -1.261 -0.163 1.00 21.40 C ATOM 131 CG2 VAL A 8 2.469 -1.625 2.313 1.00 4.33 C ATOM 0 H VAL A 8 2.016 -4.289 2.436 1.00 54.03 H new ATOM 0 HA VAL A 8 0.328 -2.611 0.818 1.00 71.33 H new ATOM 0 HB VAL A 8 3.358 -2.901 0.859 1.00 1.40 H new ATOM 0 HG11 VAL A 8 3.339 -0.617 -0.052 1.00 21.40 H new ATOM 0 HG12 VAL A 8 2.509 -1.765 -1.129 1.00 21.40 H new ATOM 0 HG13 VAL A 8 1.561 -0.658 -0.108 1.00 21.40 H new ATOM 0 HG21 VAL A 8 3.341 -0.976 2.391 1.00 4.33 H new ATOM 0 HG22 VAL A 8 1.563 -1.032 2.435 1.00 4.33 H new ATOM 0 HG23 VAL A 8 2.513 -2.386 3.092 1.00 4.33 H new ATOM 141 N VAL A 9 0.638 -3.472 -1.523 1.00 24.43 N ATOM 142 CA VAL A 9 0.642 -4.107 -2.836 1.00 23.14 C ATOM 143 C VAL A 9 0.688 -3.068 -3.951 1.00 20.45 C ATOM 144 O VAL A 9 0.001 -2.048 -3.892 1.00 53.42 O ATOM 145 CB VAL A 9 -0.598 -5.001 -3.031 1.00 3.34 C ATOM 146 CG1 VAL A 9 -0.594 -6.146 -2.030 1.00 55.14 C ATOM 147 CG2 VAL A 9 -1.874 -4.181 -2.909 1.00 1.32 C ATOM 0 H VAL A 9 0.076 -2.623 -1.466 1.00 24.43 H new ATOM 0 HA VAL A 9 1.538 -4.726 -2.885 1.00 23.14 H new ATOM 0 HB VAL A 9 -0.562 -5.426 -4.034 1.00 3.34 H new ATOM 0 HG11 VAL A 9 -1.477 -6.766 -2.183 1.00 55.14 H new ATOM 0 HG12 VAL A 9 0.302 -6.750 -2.171 1.00 55.14 H new ATOM 0 HG13 VAL A 9 -0.604 -5.744 -1.017 1.00 55.14 H new ATOM 0 HG21 VAL A 9 -2.738 -4.830 -3.050 1.00 1.32 H new ATOM 0 HG22 VAL A 9 -1.920 -3.725 -1.920 1.00 1.32 H new ATOM 0 HG23 VAL A 9 -1.879 -3.400 -3.670 1.00 1.32 H new ATOM 157 N GLY A 10 1.502 -3.336 -4.966 1.00 41.44 N ATOM 158 CA GLY A 10 1.625 -2.417 -6.081 1.00 64.03 C ATOM 159 C GLY A 10 2.498 -2.968 -7.190 1.00 73.55 C ATOM 160 O GLY A 10 3.364 -3.808 -6.947 1.00 62.54 O ATOM 0 H GLY A 10 2.079 -4.174 -5.036 1.00 41.44 H new ATOM 0 HA2 GLY A 10 0.634 -2.197 -6.478 1.00 64.03 H new ATOM 0 HA3 GLY A 10 2.043 -1.475 -5.727 1.00 64.03 H new ATOM 164 N ALA A 11 2.271 -2.496 -8.412 1.00 71.12 N ATOM 165 CA ALA A 11 3.044 -2.948 -9.562 1.00 61.34 C ATOM 166 C ALA A 11 4.538 -2.729 -9.341 1.00 52.42 C ATOM 167 O ALA A 11 4.948 -2.155 -8.332 1.00 74.13 O ATOM 168 CB ALA A 11 2.583 -2.231 -10.823 1.00 63.03 C ATOM 0 H ALA A 11 1.558 -1.800 -8.631 1.00 71.12 H new ATOM 0 HA ALA A 11 2.875 -4.018 -9.684 1.00 61.34 H new ATOM 0 HB1 ALA A 11 3.169 -2.578 -11.674 1.00 63.03 H new ATOM 0 HB2 ALA A 11 1.528 -2.444 -10.998 1.00 63.03 H new ATOM 0 HB3 ALA A 11 2.721 -1.157 -10.702 1.00 63.03 H new ATOM 174 N GLY A 12 5.345 -3.190 -10.289 1.00 61.40 N ATOM 175 CA GLY A 12 6.784 -3.035 -10.178 1.00 22.13 C ATOM 176 C GLY A 12 7.215 -1.583 -10.233 1.00 24.23 C ATOM 177 O GLY A 12 8.053 -1.146 -9.443 1.00 2.23 O ATOM 0 H GLY A 12 5.029 -3.668 -11.133 1.00 61.40 H new ATOM 0 HA2 GLY A 12 7.123 -3.476 -9.241 1.00 22.13 H new ATOM 0 HA3 GLY A 12 7.269 -3.586 -10.984 1.00 22.13 H new ATOM 181 N GLY A 13 6.640 -0.832 -11.166 1.00 54.52 N ATOM 182 CA GLY A 13 6.981 0.572 -11.303 1.00 13.43 C ATOM 183 C GLY A 13 5.988 1.479 -10.604 1.00 72.42 C ATOM 184 O GLY A 13 5.436 2.393 -11.215 1.00 41.42 O ATOM 0 H GLY A 13 5.944 -1.170 -11.830 1.00 54.52 H new ATOM 0 HA2 GLY A 13 7.976 0.743 -10.893 1.00 13.43 H new ATOM 0 HA3 GLY A 13 7.023 0.831 -12.361 1.00 13.43 H new ATOM 188 N VAL A 14 5.761 1.226 -9.319 1.00 60.30 N ATOM 189 CA VAL A 14 4.828 2.026 -8.535 1.00 12.12 C ATOM 190 C VAL A 14 5.543 2.748 -7.398 1.00 31.41 C ATOM 191 O VAL A 14 5.243 3.904 -7.096 1.00 0.11 O ATOM 192 CB VAL A 14 3.695 1.159 -7.952 1.00 53.53 C ATOM 193 CG1 VAL A 14 2.910 0.487 -9.069 1.00 2.53 C ATOM 194 CG2 VAL A 14 4.252 0.122 -6.988 1.00 11.40 C ATOM 0 H VAL A 14 6.211 0.473 -8.799 1.00 60.30 H new ATOM 0 HA VAL A 14 4.396 2.763 -9.212 1.00 12.12 H new ATOM 0 HB VAL A 14 3.017 1.808 -7.398 1.00 53.53 H new ATOM 0 HG11 VAL A 14 2.114 -0.121 -8.639 1.00 2.53 H new ATOM 0 HG12 VAL A 14 2.476 1.248 -9.717 1.00 2.53 H new ATOM 0 HG13 VAL A 14 3.577 -0.148 -9.652 1.00 2.53 H new ATOM 0 HG21 VAL A 14 3.435 -0.479 -6.588 1.00 11.40 H new ATOM 0 HG22 VAL A 14 4.954 -0.524 -7.515 1.00 11.40 H new ATOM 0 HG23 VAL A 14 4.766 0.625 -6.169 1.00 11.40 H new ATOM 204 N GLY A 15 6.492 2.060 -6.772 1.00 33.04 N ATOM 205 CA GLY A 15 7.237 2.651 -5.677 1.00 53.35 C ATOM 206 C GLY A 15 6.531 2.505 -4.343 1.00 63.34 C ATOM 207 O GLY A 15 6.416 3.469 -3.586 1.00 10.34 O ATOM 0 H GLY A 15 6.758 1.103 -7.004 1.00 33.04 H new ATOM 0 HA2 GLY A 15 8.219 2.183 -5.617 1.00 53.35 H new ATOM 0 HA3 GLY A 15 7.400 3.709 -5.883 1.00 53.35 H new ATOM 211 N LYS A 16 6.058 1.297 -4.053 1.00 65.24 N ATOM 212 CA LYS A 16 5.363 1.031 -2.799 1.00 65.33 C ATOM 213 C LYS A 16 6.347 0.992 -1.634 1.00 45.33 C ATOM 214 O LYS A 16 6.016 1.379 -0.514 1.00 20.44 O ATOM 215 CB LYS A 16 4.595 -0.292 -2.886 1.00 13.35 C ATOM 216 CG LYS A 16 5.486 -1.524 -2.847 1.00 33.00 C ATOM 217 CD LYS A 16 4.819 -2.715 -3.516 1.00 22.03 C ATOM 218 CE LYS A 16 5.294 -4.029 -2.915 1.00 2.02 C ATOM 219 NZ LYS A 16 4.941 -5.192 -3.774 1.00 43.04 N ATOM 0 H LYS A 16 6.143 0.488 -4.668 1.00 65.24 H new ATOM 0 HA LYS A 16 4.653 1.839 -2.624 1.00 65.33 H new ATOM 0 HB2 LYS A 16 3.884 -0.343 -2.061 1.00 13.35 H new ATOM 0 HB3 LYS A 16 4.015 -0.304 -3.809 1.00 13.35 H new ATOM 0 HG2 LYS A 16 6.431 -1.307 -3.346 1.00 33.00 H new ATOM 0 HG3 LYS A 16 5.721 -1.771 -1.812 1.00 33.00 H new ATOM 0 HD2 LYS A 16 3.737 -2.635 -3.410 1.00 22.03 H new ATOM 0 HD3 LYS A 16 5.036 -2.703 -4.584 1.00 22.03 H new ATOM 0 HE2 LYS A 16 6.375 -3.995 -2.776 1.00 2.02 H new ATOM 0 HE3 LYS A 16 4.850 -4.158 -1.928 1.00 2.02 H new ATOM 0 HZ1 LYS A 16 4.683 -6.001 -3.174 1.00 43.04 H new ATOM 0 HZ2 LYS A 16 4.136 -4.942 -4.383 1.00 43.04 H new ATOM 0 HZ3 LYS A 16 5.757 -5.446 -4.366 1.00 43.04 H new ATOM 233 N SER A 17 7.559 0.519 -1.909 1.00 50.42 N ATOM 234 CA SER A 17 8.595 0.426 -0.888 1.00 3.04 C ATOM 235 C SER A 17 9.112 1.809 -0.506 1.00 22.34 C ATOM 236 O SER A 17 9.503 2.043 0.637 1.00 55.32 O ATOM 237 CB SER A 17 9.752 -0.443 -1.387 1.00 72.01 C ATOM 238 OG SER A 17 10.116 -0.097 -2.713 1.00 42.23 O ATOM 0 H SER A 17 7.847 0.194 -2.832 1.00 50.42 H new ATOM 0 HA SER A 17 8.157 -0.034 -0.002 1.00 3.04 H new ATOM 0 HB2 SER A 17 10.612 -0.323 -0.728 1.00 72.01 H new ATOM 0 HB3 SER A 17 9.465 -1.494 -1.348 1.00 72.01 H new ATOM 0 HG SER A 17 10.858 -0.665 -3.007 1.00 42.23 H new ATOM 244 N ALA A 18 9.111 2.722 -1.472 1.00 44.23 N ATOM 245 CA ALA A 18 9.582 4.082 -1.239 1.00 32.23 C ATOM 246 C ALA A 18 8.783 4.762 -0.131 1.00 61.34 C ATOM 247 O ALA A 18 9.328 5.115 0.914 1.00 32.00 O ATOM 248 CB ALA A 18 9.502 4.893 -2.523 1.00 42.04 C ATOM 0 H ALA A 18 8.789 2.544 -2.423 1.00 44.23 H new ATOM 0 HA ALA A 18 10.622 4.029 -0.917 1.00 32.23 H new ATOM 0 HB1 ALA A 18 9.856 5.907 -2.336 1.00 42.04 H new ATOM 0 HB2 ALA A 18 10.124 4.427 -3.287 1.00 42.04 H new ATOM 0 HB3 ALA A 18 8.468 4.928 -2.867 1.00 42.04 H new ATOM 254 N LEU A 19 7.488 4.944 -0.370 1.00 54.04 N ATOM 255 CA LEU A 19 6.611 5.586 0.605 1.00 22.04 C ATOM 256 C LEU A 19 6.666 4.874 1.955 1.00 13.05 C ATOM 257 O LEU A 19 6.385 5.472 2.993 1.00 2.15 O ATOM 258 CB LEU A 19 5.171 5.609 0.088 1.00 2.34 C ATOM 259 CG LEU A 19 4.630 4.261 -0.391 1.00 31.43 C ATOM 260 CD1 LEU A 19 3.942 3.525 0.748 1.00 2.40 C ATOM 261 CD2 LEU A 19 3.671 4.456 -1.557 1.00 24.33 C ATOM 0 H LEU A 19 7.022 4.656 -1.230 1.00 54.04 H new ATOM 0 HA LEU A 19 6.961 6.609 0.745 1.00 22.04 H new ATOM 0 HB2 LEU A 19 4.523 5.981 0.881 1.00 2.34 H new ATOM 0 HB3 LEU A 19 5.109 6.321 -0.735 1.00 2.34 H new ATOM 0 HG LEU A 19 5.470 3.656 -0.732 1.00 31.43 H new ATOM 0 HD11 LEU A 19 3.564 2.568 0.387 1.00 2.40 H new ATOM 0 HD12 LEU A 19 4.656 3.353 1.554 1.00 2.40 H new ATOM 0 HD13 LEU A 19 3.112 4.126 1.121 1.00 2.40 H new ATOM 0 HD21 LEU A 19 3.296 3.487 -1.885 1.00 24.33 H new ATOM 0 HD22 LEU A 19 2.836 5.080 -1.240 1.00 24.33 H new ATOM 0 HD23 LEU A 19 4.194 4.941 -2.381 1.00 24.33 H new ATOM 273 N THR A 20 7.026 3.594 1.934 1.00 53.13 N ATOM 274 CA THR A 20 7.113 2.806 3.159 1.00 43.15 C ATOM 275 C THR A 20 8.246 3.301 4.054 1.00 11.33 C ATOM 276 O THR A 20 8.079 3.429 5.267 1.00 23.41 O ATOM 277 CB THR A 20 7.323 1.328 2.825 1.00 11.53 C ATOM 278 OG1 THR A 20 6.300 0.858 1.965 1.00 71.21 O ATOM 279 CG2 THR A 20 7.340 0.436 4.048 1.00 35.51 C ATOM 0 H THR A 20 7.262 3.081 1.084 1.00 53.13 H new ATOM 0 HA THR A 20 6.174 2.923 3.699 1.00 43.15 H new ATOM 0 HB THR A 20 8.299 1.276 2.343 1.00 11.53 H new ATOM 0 HG1 THR A 20 6.538 1.056 1.035 1.00 71.21 H new ATOM 0 HG21 THR A 20 7.493 -0.599 3.741 1.00 35.51 H new ATOM 0 HG22 THR A 20 8.150 0.742 4.710 1.00 35.51 H new ATOM 0 HG23 THR A 20 6.389 0.522 4.574 1.00 35.51 H new ATOM 287 N ILE A 21 9.398 3.577 3.451 1.00 75.32 N ATOM 288 CA ILE A 21 10.555 4.055 4.193 1.00 50.33 C ATOM 289 C ILE A 21 10.346 5.494 4.662 1.00 63.54 C ATOM 290 O ILE A 21 10.867 5.899 5.702 1.00 71.21 O ATOM 291 CB ILE A 21 11.838 3.954 3.333 1.00 74.35 C ATOM 292 CG1 ILE A 21 12.464 2.564 3.474 1.00 22.32 C ATOM 293 CG2 ILE A 21 12.847 5.027 3.715 1.00 35.24 C ATOM 294 CD1 ILE A 21 11.504 1.432 3.176 1.00 73.52 C ATOM 0 H ILE A 21 9.553 3.477 2.448 1.00 75.32 H new ATOM 0 HA ILE A 21 10.674 3.420 5.071 1.00 50.33 H new ATOM 0 HB ILE A 21 11.556 4.113 2.292 1.00 74.35 H new ATOM 0 HG12 ILE A 21 13.319 2.490 2.802 1.00 22.32 H new ATOM 0 HG13 ILE A 21 12.845 2.448 4.489 1.00 22.32 H new ATOM 0 HG21 ILE A 21 13.736 4.928 3.093 1.00 35.24 H new ATOM 0 HG22 ILE A 21 12.406 6.012 3.564 1.00 35.24 H new ATOM 0 HG23 ILE A 21 13.123 4.910 4.763 1.00 35.24 H new ATOM 0 HD11 ILE A 21 12.018 0.478 3.296 1.00 73.52 H new ATOM 0 HD12 ILE A 21 10.661 1.479 3.865 1.00 73.52 H new ATOM 0 HD13 ILE A 21 11.142 1.522 2.152 1.00 73.52 H new ATOM 306 N GLN A 22 9.582 6.261 3.891 1.00 42.35 N ATOM 307 CA GLN A 22 9.306 7.653 4.231 1.00 21.24 C ATOM 308 C GLN A 22 8.689 7.761 5.622 1.00 3.14 C ATOM 309 O GLN A 22 9.015 8.667 6.389 1.00 64.12 O ATOM 310 CB GLN A 22 8.368 8.276 3.196 1.00 21.34 C ATOM 311 CG GLN A 22 8.997 8.433 1.821 1.00 32.33 C ATOM 312 CD GLN A 22 10.305 9.198 1.862 1.00 44.40 C ATOM 313 OE1 GLN A 22 10.541 10.000 2.766 1.00 24.25 O ATOM 314 NE2 GLN A 22 11.166 8.952 0.881 1.00 34.50 N ATOM 0 H GLN A 22 9.143 5.943 3.027 1.00 42.35 H new ATOM 0 HA GLN A 22 10.251 8.196 4.229 1.00 21.24 H new ATOM 0 HB2 GLN A 22 7.474 7.658 3.109 1.00 21.34 H new ATOM 0 HB3 GLN A 22 8.045 9.254 3.553 1.00 21.34 H new ATOM 0 HG2 GLN A 22 9.171 7.447 1.390 1.00 32.33 H new ATOM 0 HG3 GLN A 22 8.299 8.950 1.163 1.00 32.33 H new ATOM 0 HE21 GLN A 22 10.930 8.279 0.152 1.00 34.50 H new ATOM 0 HE22 GLN A 22 12.064 9.436 0.857 1.00 34.50 H new ATOM 323 N LEU A 23 7.797 6.829 5.939 1.00 35.24 N ATOM 324 CA LEU A 23 7.132 6.814 7.236 1.00 75.11 C ATOM 325 C LEU A 23 8.062 6.278 8.320 1.00 43.03 C ATOM 326 O LEU A 23 8.022 6.729 9.465 1.00 42.04 O ATOM 327 CB LEU A 23 5.865 5.963 7.174 1.00 14.14 C ATOM 328 CG LEU A 23 5.087 5.872 8.485 1.00 51.52 C ATOM 329 CD1 LEU A 23 4.486 7.222 8.842 1.00 34.14 C ATOM 330 CD2 LEU A 23 4.002 4.811 8.387 1.00 12.24 C ATOM 0 H LEU A 23 7.518 6.073 5.314 1.00 35.24 H new ATOM 0 HA LEU A 23 6.862 7.840 7.487 1.00 75.11 H new ATOM 0 HB2 LEU A 23 5.208 6.371 6.406 1.00 14.14 H new ATOM 0 HB3 LEU A 23 6.137 4.956 6.859 1.00 14.14 H new ATOM 0 HG LEU A 23 5.778 5.584 9.278 1.00 51.52 H new ATOM 0 HD11 LEU A 23 3.935 7.139 9.779 1.00 34.14 H new ATOM 0 HD12 LEU A 23 5.283 7.957 8.954 1.00 34.14 H new ATOM 0 HD13 LEU A 23 3.808 7.540 8.050 1.00 34.14 H new ATOM 0 HD21 LEU A 23 3.457 4.759 9.330 1.00 12.24 H new ATOM 0 HD22 LEU A 23 3.312 5.069 7.583 1.00 12.24 H new ATOM 0 HD23 LEU A 23 4.457 3.843 8.178 1.00 12.24 H new ATOM 342 N ILE A 24 8.895 5.310 7.952 1.00 22.34 N ATOM 343 CA ILE A 24 9.829 4.708 8.894 1.00 1.34 C ATOM 344 C ILE A 24 11.042 5.604 9.125 1.00 23.24 C ATOM 345 O ILE A 24 11.214 6.161 10.209 1.00 13.52 O ATOM 346 CB ILE A 24 10.306 3.324 8.408 1.00 12.21 C ATOM 347 CG1 ILE A 24 9.105 2.433 8.086 1.00 60.34 C ATOM 348 CG2 ILE A 24 11.192 2.668 9.457 1.00 33.53 C ATOM 349 CD1 ILE A 24 8.324 2.008 9.310 1.00 1.32 C ATOM 0 H ILE A 24 8.942 4.926 7.008 1.00 22.34 H new ATOM 0 HA ILE A 24 9.291 4.588 9.835 1.00 1.34 H new ATOM 0 HB ILE A 24 10.892 3.457 7.499 1.00 12.21 H new ATOM 0 HG12 ILE A 24 8.439 2.965 7.407 1.00 60.34 H new ATOM 0 HG13 ILE A 24 9.453 1.544 7.560 1.00 60.34 H new ATOM 0 HG21 ILE A 24 11.520 1.692 9.098 1.00 33.53 H new ATOM 0 HG22 ILE A 24 12.062 3.297 9.643 1.00 33.53 H new ATOM 0 HG23 ILE A 24 10.629 2.544 10.382 1.00 33.53 H new ATOM 0 HD11 ILE A 24 7.487 1.379 9.007 1.00 1.32 H new ATOM 0 HD12 ILE A 24 8.975 1.448 9.981 1.00 1.32 H new ATOM 0 HD13 ILE A 24 7.946 2.891 9.825 1.00 1.32 H new ATOM 361 N GLN A 25 11.885 5.737 8.105 1.00 62.34 N ATOM 362 CA GLN A 25 13.081 6.563 8.213 1.00 62.44 C ATOM 363 C GLN A 25 12.833 7.968 7.651 1.00 75.40 C ATOM 364 O GLN A 25 12.280 8.822 8.343 1.00 53.43 O ATOM 365 CB GLN A 25 14.259 5.885 7.507 1.00 64.00 C ATOM 366 CG GLN A 25 14.706 4.599 8.181 1.00 74.51 C ATOM 367 CD GLN A 25 15.816 3.899 7.424 1.00 54.34 C ATOM 368 OE1 GLN A 25 16.979 4.296 7.495 1.00 73.41 O ATOM 369 NE2 GLN A 25 15.459 2.852 6.693 1.00 60.25 N ATOM 0 H GLN A 25 11.762 5.285 7.199 1.00 62.34 H new ATOM 0 HA GLN A 25 13.331 6.672 9.268 1.00 62.44 H new ATOM 0 HB2 GLN A 25 13.979 5.668 6.476 1.00 64.00 H new ATOM 0 HB3 GLN A 25 15.099 6.578 7.470 1.00 64.00 H new ATOM 0 HG2 GLN A 25 15.046 4.822 9.192 1.00 74.51 H new ATOM 0 HG3 GLN A 25 13.853 3.926 8.273 1.00 74.51 H new ATOM 0 HE21 GLN A 25 14.482 2.559 6.664 1.00 60.25 H new ATOM 0 HE22 GLN A 25 16.161 2.339 6.159 1.00 60.25 H new ATOM 588 N TYR A 40 8.566 -3.156 8.039 1.00 33.31 N ATOM 589 CA TYR A 40 8.816 -2.165 9.080 1.00 12.14 C ATOM 590 C TYR A 40 7.542 -1.867 9.863 1.00 54.12 C ATOM 591 O TYR A 40 6.438 -1.947 9.325 1.00 41.15 O ATOM 592 CB TYR A 40 9.365 -0.870 8.470 1.00 12.21 C ATOM 593 CG TYR A 40 10.193 -1.082 7.221 1.00 74.31 C ATOM 594 CD1 TYR A 40 9.588 -1.186 5.975 1.00 52.00 C ATOM 595 CD2 TYR A 40 11.578 -1.178 7.289 1.00 63.32 C ATOM 596 CE1 TYR A 40 10.339 -1.380 4.831 1.00 23.24 C ATOM 597 CE2 TYR A 40 12.336 -1.371 6.149 1.00 21.32 C ATOM 598 CZ TYR A 40 11.712 -1.471 4.924 1.00 73.43 C ATOM 599 OH TYR A 40 12.463 -1.664 3.787 1.00 30.14 O ATOM 0 HA TYR A 40 9.558 -2.578 9.764 1.00 12.14 H new ATOM 0 HB2 TYR A 40 8.531 -0.210 8.233 1.00 12.21 H new ATOM 0 HB3 TYR A 40 9.974 -0.359 9.215 1.00 12.21 H new ATOM 0 HD1 TYR A 40 8.513 -1.114 5.899 1.00 52.00 H new ATOM 0 HD2 TYR A 40 12.070 -1.101 8.247 1.00 63.32 H new ATOM 0 HE1 TYR A 40 9.853 -1.460 3.870 1.00 23.24 H new ATOM 0 HE2 TYR A 40 13.411 -1.443 6.218 1.00 21.32 H new ATOM 0 HH TYR A 40 13.413 -1.705 4.025 1.00 30.14 H new ATOM 609 N ARG A 41 7.702 -1.522 11.137 1.00 5.42 N ATOM 610 CA ARG A 41 6.564 -1.210 11.994 1.00 31.13 C ATOM 611 C ARG A 41 6.865 -0.005 12.879 1.00 34.22 C ATOM 612 O ARG A 41 7.777 -0.042 13.705 1.00 32.01 O ATOM 613 CB ARG A 41 6.205 -2.419 12.861 1.00 31.34 C ATOM 614 CG ARG A 41 7.370 -2.945 13.683 1.00 43.02 C ATOM 615 CD ARG A 41 7.441 -4.463 13.645 1.00 11.54 C ATOM 616 NE ARG A 41 8.819 -4.947 13.660 1.00 72.14 N ATOM 617 CZ ARG A 41 9.153 -6.235 13.609 1.00 74.32 C ATOM 618 NH1 ARG A 41 8.213 -7.169 13.539 1.00 40.42 N ATOM 619 NH2 ARG A 41 10.431 -6.589 13.627 1.00 34.24 N ATOM 0 H ARG A 41 8.609 -1.452 11.598 1.00 5.42 H new ATOM 0 HA ARG A 41 5.715 -0.966 11.355 1.00 31.13 H new ATOM 0 HB2 ARG A 41 5.391 -2.145 13.533 1.00 31.34 H new ATOM 0 HB3 ARG A 41 5.833 -3.218 12.220 1.00 31.34 H new ATOM 0 HG2 ARG A 41 8.302 -2.527 13.303 1.00 43.02 H new ATOM 0 HG3 ARG A 41 7.268 -2.611 14.715 1.00 43.02 H new ATOM 0 HD2 ARG A 41 6.904 -4.873 14.500 1.00 11.54 H new ATOM 0 HD3 ARG A 41 6.939 -4.827 12.749 1.00 11.54 H new ATOM 0 HE ARG A 41 9.569 -4.258 13.713 1.00 72.14 H new ATOM 0 HH11 ARG A 41 7.229 -6.902 13.524 1.00 40.42 H new ATOM 0 HH12 ARG A 41 8.475 -8.154 13.500 1.00 40.42 H new ATOM 0 HH21 ARG A 41 11.157 -5.875 13.680 1.00 34.24 H new ATOM 0 HH22 ARG A 41 10.688 -7.575 13.588 1.00 34.24 H new ATOM 633 N LYS A 42 6.093 1.062 12.701 1.00 1.25 N ATOM 634 CA LYS A 42 6.278 2.279 13.483 1.00 11.10 C ATOM 635 C LYS A 42 5.082 2.529 14.395 1.00 55.31 C ATOM 636 O LYS A 42 3.954 2.153 14.075 1.00 51.12 O ATOM 637 CB LYS A 42 6.486 3.478 12.556 1.00 12.01 C ATOM 638 CG LYS A 42 6.693 4.790 13.295 1.00 62.32 C ATOM 639 CD LYS A 42 6.916 5.943 12.329 1.00 2.14 C ATOM 640 CE LYS A 42 7.827 7.002 12.927 1.00 32.20 C ATOM 641 NZ LYS A 42 7.393 8.379 12.562 1.00 51.32 N ATOM 0 H LYS A 42 5.333 1.109 12.022 1.00 1.25 H new ATOM 0 HA LYS A 42 7.164 2.150 14.105 1.00 11.10 H new ATOM 0 HB2 LYS A 42 7.350 3.289 11.920 1.00 12.01 H new ATOM 0 HB3 LYS A 42 5.621 3.573 11.899 1.00 12.01 H new ATOM 0 HG2 LYS A 42 5.824 4.999 13.918 1.00 62.32 H new ATOM 0 HG3 LYS A 42 7.550 4.702 13.962 1.00 62.32 H new ATOM 0 HD2 LYS A 42 7.353 5.565 11.405 1.00 2.14 H new ATOM 0 HD3 LYS A 42 5.957 6.391 12.068 1.00 2.14 H new ATOM 0 HE2 LYS A 42 7.838 6.901 14.012 1.00 32.20 H new ATOM 0 HE3 LYS A 42 8.848 6.840 12.581 1.00 32.20 H new ATOM 0 HZ1 LYS A 42 8.040 9.072 12.989 1.00 51.32 H new ATOM 0 HZ2 LYS A 42 7.407 8.485 11.527 1.00 51.32 H new ATOM 0 HZ3 LYS A 42 6.428 8.544 12.914 1.00 51.32 H new ATOM 655 N GLN A 43 5.337 3.168 15.532 1.00 34.05 N ATOM 656 CA GLN A 43 4.284 3.473 16.492 1.00 35.12 C ATOM 657 C GLN A 43 3.837 4.926 16.364 1.00 42.15 C ATOM 658 O GLN A 43 4.663 5.831 16.248 1.00 24.22 O ATOM 659 CB GLN A 43 4.771 3.200 17.916 1.00 65.22 C ATOM 660 CG GLN A 43 3.724 3.476 18.980 1.00 71.41 C ATOM 661 CD GLN A 43 4.140 4.572 19.930 1.00 65.23 C ATOM 662 OE1 GLN A 43 3.993 5.759 19.637 1.00 1.12 O ATOM 663 NE2 GLN A 43 4.663 4.175 21.076 1.00 44.24 N ATOM 0 H GLN A 43 6.266 3.485 15.811 1.00 34.05 H new ATOM 0 HA GLN A 43 3.431 2.829 16.277 1.00 35.12 H new ATOM 0 HB2 GLN A 43 5.086 2.159 17.990 1.00 65.22 H new ATOM 0 HB3 GLN A 43 5.649 3.814 18.115 1.00 65.22 H new ATOM 0 HG2 GLN A 43 2.786 3.753 18.499 1.00 71.41 H new ATOM 0 HG3 GLN A 43 3.535 2.563 19.544 1.00 71.41 H new ATOM 0 HE21 GLN A 43 4.764 3.179 21.273 1.00 44.24 H new ATOM 0 HE22 GLN A 43 4.966 4.864 21.764 1.00 44.24 H new ATOM 672 N VAL A 44 2.526 5.142 16.385 1.00 3.40 N ATOM 673 CA VAL A 44 1.973 6.486 16.271 1.00 21.31 C ATOM 674 C VAL A 44 0.680 6.619 17.070 1.00 65.23 C ATOM 675 O VAL A 44 0.171 5.639 17.614 1.00 50.14 O ATOM 676 CB VAL A 44 1.698 6.857 14.801 1.00 31.12 C ATOM 677 CG1 VAL A 44 2.988 6.834 13.995 1.00 61.43 C ATOM 678 CG2 VAL A 44 0.663 5.921 14.192 1.00 1.41 C ATOM 0 H VAL A 44 1.828 4.405 16.480 1.00 3.40 H new ATOM 0 HA VAL A 44 2.718 7.170 16.677 1.00 21.31 H new ATOM 0 HB VAL A 44 1.295 7.869 14.773 1.00 31.12 H new ATOM 0 HG11 VAL A 44 2.775 7.098 12.959 1.00 61.43 H new ATOM 0 HG12 VAL A 44 3.692 7.552 14.415 1.00 61.43 H new ATOM 0 HG13 VAL A 44 3.423 5.835 14.032 1.00 61.43 H new ATOM 0 HG21 VAL A 44 0.485 6.202 13.154 1.00 1.41 H new ATOM 0 HG22 VAL A 44 1.031 4.896 14.233 1.00 1.41 H new ATOM 0 HG23 VAL A 44 -0.269 5.994 14.753 1.00 1.41 H new ATOM 688 N VAL A 45 0.155 7.837 17.135 1.00 62.01 N ATOM 689 CA VAL A 45 -1.080 8.100 17.865 1.00 53.43 C ATOM 690 C VAL A 45 -2.238 8.353 16.906 1.00 63.40 C ATOM 691 O VAL A 45 -2.317 9.407 16.276 1.00 13.53 O ATOM 692 CB VAL A 45 -0.930 9.310 18.807 1.00 54.42 C ATOM 693 CG1 VAL A 45 -2.181 9.491 19.653 1.00 63.33 C ATOM 694 CG2 VAL A 45 0.299 9.150 19.689 1.00 70.33 C ATOM 0 H VAL A 45 0.565 8.659 16.691 1.00 62.01 H new ATOM 0 HA VAL A 45 -1.292 7.213 18.461 1.00 53.43 H new ATOM 0 HB VAL A 45 -0.800 10.205 18.198 1.00 54.42 H new ATOM 0 HG11 VAL A 45 -2.054 10.351 20.311 1.00 63.33 H new ATOM 0 HG12 VAL A 45 -3.040 9.656 19.002 1.00 63.33 H new ATOM 0 HG13 VAL A 45 -2.347 8.596 20.253 1.00 63.33 H new ATOM 0 HG21 VAL A 45 0.389 10.014 20.348 1.00 70.33 H new ATOM 0 HG22 VAL A 45 0.201 8.245 20.289 1.00 70.33 H new ATOM 0 HG23 VAL A 45 1.189 9.076 19.064 1.00 70.33 H new ATOM 704 N ILE A 46 -3.133 7.376 16.797 1.00 25.31 N ATOM 705 CA ILE A 46 -4.285 7.489 15.912 1.00 64.24 C ATOM 706 C ILE A 46 -5.584 7.207 16.661 1.00 33.02 C ATOM 707 O ILE A 46 -5.743 6.150 17.272 1.00 1.14 O ATOM 708 CB ILE A 46 -4.168 6.521 14.718 1.00 34.42 C ATOM 709 CG1 ILE A 46 -2.816 6.701 14.024 1.00 64.40 C ATOM 710 CG2 ILE A 46 -5.310 6.738 13.735 1.00 1.22 C ATOM 711 CD1 ILE A 46 -2.540 5.663 12.959 1.00 43.04 C ATOM 0 H ILE A 46 -3.082 6.497 17.311 1.00 25.31 H new ATOM 0 HA ILE A 46 -4.302 8.513 15.540 1.00 64.24 H new ATOM 0 HB ILE A 46 -4.234 5.499 15.092 1.00 34.42 H new ATOM 0 HG12 ILE A 46 -2.778 7.692 13.572 1.00 64.40 H new ATOM 0 HG13 ILE A 46 -2.025 6.661 14.772 1.00 64.40 H new ATOM 0 HG21 ILE A 46 -5.208 6.045 12.900 1.00 1.22 H new ATOM 0 HG22 ILE A 46 -6.261 6.563 14.238 1.00 1.22 H new ATOM 0 HG23 ILE A 46 -5.280 7.762 13.362 1.00 1.22 H new ATOM 0 HD11 ILE A 46 -1.565 5.853 12.510 1.00 43.04 H new ATOM 0 HD12 ILE A 46 -2.545 4.670 13.409 1.00 43.04 H new ATOM 0 HD13 ILE A 46 -3.310 5.717 12.190 1.00 43.04 H new ATOM 723 N ASP A 47 -6.511 8.159 16.608 1.00 22.03 N ATOM 724 CA ASP A 47 -7.797 8.015 17.281 1.00 4.51 C ATOM 725 C ASP A 47 -7.612 7.902 18.791 1.00 44.42 C ATOM 726 O ASP A 47 -8.304 7.131 19.456 1.00 55.11 O ATOM 727 CB ASP A 47 -8.539 6.785 16.753 1.00 13.24 C ATOM 728 CG ASP A 47 -9.999 6.770 17.162 1.00 11.41 C ATOM 729 OD1 ASP A 47 -10.664 7.818 17.026 1.00 44.11 O ATOM 730 OD2 ASP A 47 -10.476 5.710 17.619 1.00 52.51 O ATOM 0 H ASP A 47 -6.395 9.039 16.105 1.00 22.03 H new ATOM 0 HA ASP A 47 -8.389 8.906 17.071 1.00 4.51 H new ATOM 0 HB2 ASP A 47 -8.469 6.761 15.666 1.00 13.24 H new ATOM 0 HB3 ASP A 47 -8.052 5.883 17.124 1.00 13.24 H new ATOM 735 N GLY A 48 -6.674 8.678 19.327 1.00 24.03 N ATOM 736 CA GLY A 48 -6.415 8.651 20.754 1.00 72.31 C ATOM 737 C GLY A 48 -6.037 7.269 21.250 1.00 30.11 C ATOM 738 O GLY A 48 -6.287 6.927 22.406 1.00 72.11 O ATOM 0 H GLY A 48 -6.089 9.325 18.798 1.00 24.03 H new ATOM 0 HA2 GLY A 48 -5.611 9.349 20.987 1.00 72.31 H new ATOM 0 HA3 GLY A 48 -7.301 8.995 21.287 1.00 72.31 H new ATOM 742 N GLU A 49 -5.433 6.473 20.374 1.00 11.33 N ATOM 743 CA GLU A 49 -5.020 5.120 20.728 1.00 73.33 C ATOM 744 C GLU A 49 -3.736 4.735 19.999 1.00 33.11 C ATOM 745 O GLU A 49 -3.754 4.439 18.805 1.00 23.10 O ATOM 746 CB GLU A 49 -6.130 4.122 20.393 1.00 75.13 C ATOM 747 CG GLU A 49 -5.772 2.680 20.717 1.00 61.13 C ATOM 748 CD GLU A 49 -6.899 1.940 21.411 1.00 2.12 C ATOM 749 OE1 GLU A 49 -7.784 1.411 20.707 1.00 75.22 O ATOM 750 OE2 GLU A 49 -6.895 1.889 22.659 1.00 75.54 O ATOM 0 H GLU A 49 -5.219 6.742 19.414 1.00 11.33 H new ATOM 0 HA GLU A 49 -4.829 5.094 21.801 1.00 73.33 H new ATOM 0 HB2 GLU A 49 -7.031 4.396 20.942 1.00 75.13 H new ATOM 0 HB3 GLU A 49 -6.368 4.199 19.332 1.00 75.13 H new ATOM 0 HG2 GLU A 49 -5.513 2.158 19.796 1.00 61.13 H new ATOM 0 HG3 GLU A 49 -4.886 2.664 21.352 1.00 61.13 H new ATOM 757 N THR A 50 -2.624 4.740 20.727 1.00 15.42 N ATOM 758 CA THR A 50 -1.331 4.391 20.150 1.00 12.55 C ATOM 759 C THR A 50 -1.357 2.977 19.575 1.00 10.01 C ATOM 760 O THR A 50 -1.759 2.030 20.249 1.00 35.31 O ATOM 761 CB THR A 50 -0.230 4.505 21.206 1.00 65.43 C ATOM 762 OG1 THR A 50 -0.177 5.819 21.733 1.00 10.13 O ATOM 763 CG2 THR A 50 1.147 4.167 20.677 1.00 35.31 C ATOM 0 H THR A 50 -2.592 4.982 21.717 1.00 15.42 H new ATOM 0 HA THR A 50 -1.121 5.090 19.340 1.00 12.55 H new ATOM 0 HB THR A 50 -0.492 3.779 21.976 1.00 65.43 H new ATOM 0 HG1 THR A 50 0.532 5.872 22.408 1.00 10.13 H new ATOM 0 HG21 THR A 50 1.879 4.268 21.478 1.00 35.31 H new ATOM 0 HG22 THR A 50 1.153 3.142 20.307 1.00 35.31 H new ATOM 0 HG23 THR A 50 1.402 4.847 19.864 1.00 35.31 H new ATOM 771 N CYS A 51 -0.927 2.844 18.325 1.00 35.14 N ATOM 772 CA CYS A 51 -0.903 1.547 17.660 1.00 12.21 C ATOM 773 C CYS A 51 0.293 1.437 16.720 1.00 62.03 C ATOM 774 O CYS A 51 0.780 2.439 16.197 1.00 1.13 O ATOM 775 CB CYS A 51 -2.201 1.327 16.881 1.00 15.34 C ATOM 776 SG CYS A 51 -3.659 1.102 17.926 1.00 1.35 S ATOM 0 H CYS A 51 -0.591 3.618 17.752 1.00 35.14 H new ATOM 0 HA CYS A 51 -0.811 0.777 18.425 1.00 12.21 H new ATOM 0 HB2 CYS A 51 -2.367 2.180 16.223 1.00 15.34 H new ATOM 0 HB3 CYS A 51 -2.085 0.451 16.243 1.00 15.34 H new ATOM 0 HG CYS A 51 -3.330 1.271 19.172 1.00 1.35 H new ATOM 782 N LEU A 52 0.760 0.210 16.511 1.00 21.21 N ATOM 783 CA LEU A 52 1.898 -0.038 15.635 1.00 11.03 C ATOM 784 C LEU A 52 1.443 -0.218 14.191 1.00 62.52 C ATOM 785 O LEU A 52 0.453 -0.899 13.923 1.00 71.13 O ATOM 786 CB LEU A 52 2.659 -1.279 16.100 1.00 52.14 C ATOM 787 CG LEU A 52 3.627 -1.043 17.259 1.00 61.55 C ATOM 788 CD1 LEU A 52 3.850 -2.330 18.036 1.00 4.00 C ATOM 789 CD2 LEU A 52 4.947 -0.490 16.743 1.00 21.22 C ATOM 0 H LEU A 52 0.367 -0.629 16.938 1.00 21.21 H new ATOM 0 HA LEU A 52 2.560 0.827 15.683 1.00 11.03 H new ATOM 0 HB2 LEU A 52 1.937 -2.040 16.398 1.00 52.14 H new ATOM 0 HB3 LEU A 52 3.218 -1.683 15.255 1.00 52.14 H new ATOM 0 HG LEU A 52 3.188 -0.308 17.934 1.00 61.55 H new ATOM 0 HD11 LEU A 52 4.542 -2.144 18.858 1.00 4.00 H new ATOM 0 HD12 LEU A 52 2.899 -2.683 18.435 1.00 4.00 H new ATOM 0 HD13 LEU A 52 4.269 -3.087 17.373 1.00 4.00 H new ATOM 0 HD21 LEU A 52 5.626 -0.327 17.580 1.00 21.22 H new ATOM 0 HD22 LEU A 52 5.393 -1.201 16.048 1.00 21.22 H new ATOM 0 HD23 LEU A 52 4.770 0.456 16.231 1.00 21.22 H new ATOM 801 N LEU A 53 2.171 0.395 13.263 1.00 43.11 N ATOM 802 CA LEU A 53 1.839 0.299 11.846 1.00 72.31 C ATOM 803 C LEU A 53 2.826 -0.605 11.116 1.00 12.21 C ATOM 804 O LEU A 53 3.747 -0.127 10.452 1.00 3.21 O ATOM 805 CB LEU A 53 1.831 1.690 11.205 1.00 13.44 C ATOM 806 CG LEU A 53 0.716 2.624 11.683 1.00 75.33 C ATOM 807 CD1 LEU A 53 0.670 3.881 10.829 1.00 25.13 C ATOM 808 CD2 LEU A 53 -0.630 1.912 11.655 1.00 41.30 C ATOM 0 H LEU A 53 2.994 0.963 13.466 1.00 43.11 H new ATOM 0 HA LEU A 53 0.844 -0.137 11.761 1.00 72.31 H new ATOM 0 HB2 LEU A 53 2.791 2.168 11.400 1.00 13.44 H new ATOM 0 HB3 LEU A 53 1.747 1.574 10.125 1.00 13.44 H new ATOM 0 HG LEU A 53 0.930 2.913 12.712 1.00 75.33 H new ATOM 0 HD11 LEU A 53 -0.129 4.533 11.184 1.00 25.13 H new ATOM 0 HD12 LEU A 53 1.624 4.404 10.900 1.00 25.13 H new ATOM 0 HD13 LEU A 53 0.482 3.609 9.790 1.00 25.13 H new ATOM 0 HD21 LEU A 53 -1.409 2.593 11.998 1.00 41.30 H new ATOM 0 HD22 LEU A 53 -0.851 1.592 10.637 1.00 41.30 H new ATOM 0 HD23 LEU A 53 -0.595 1.041 12.310 1.00 41.30 H new ATOM 820 N ASP A 54 2.628 -1.913 11.242 1.00 55.10 N ATOM 821 CA ASP A 54 3.501 -2.885 10.593 1.00 63.32 C ATOM 822 C ASP A 54 3.240 -2.930 9.091 1.00 65.13 C ATOM 823 O ASP A 54 2.360 -3.653 8.625 1.00 70.11 O ATOM 824 CB ASP A 54 3.295 -4.273 11.201 1.00 74.22 C ATOM 825 CG ASP A 54 4.541 -5.133 11.115 1.00 4.20 C ATOM 826 OD1 ASP A 54 5.364 -4.897 10.206 1.00 62.11 O ATOM 827 OD2 ASP A 54 4.694 -6.042 11.958 1.00 74.52 O ATOM 0 H ASP A 54 1.871 -2.325 11.788 1.00 55.10 H new ATOM 0 HA ASP A 54 4.533 -2.576 10.756 1.00 63.32 H new ATOM 0 HB2 ASP A 54 3.000 -4.169 12.245 1.00 74.22 H new ATOM 0 HB3 ASP A 54 2.475 -4.774 10.686 1.00 74.22 H new ATOM 832 N ILE A 55 4.011 -2.152 8.338 1.00 73.22 N ATOM 833 CA ILE A 55 3.863 -2.102 6.888 1.00 24.52 C ATOM 834 C ILE A 55 4.636 -3.232 6.217 1.00 10.34 C ATOM 835 O ILE A 55 5.867 -3.240 6.216 1.00 31.52 O ATOM 836 CB ILE A 55 4.348 -0.754 6.319 1.00 0.54 C ATOM 837 CG1 ILE A 55 3.801 0.406 7.154 1.00 62.43 C ATOM 838 CG2 ILE A 55 3.927 -0.610 4.865 1.00 2.32 C ATOM 839 CD1 ILE A 55 2.295 0.534 7.096 1.00 14.24 C ATOM 0 H ILE A 55 4.745 -1.548 8.708 1.00 73.22 H new ATOM 0 HA ILE A 55 2.800 -2.216 6.675 1.00 24.52 H new ATOM 0 HB ILE A 55 5.437 -0.729 6.367 1.00 0.54 H new ATOM 0 HG12 ILE A 55 4.107 0.272 8.192 1.00 62.43 H new ATOM 0 HG13 ILE A 55 4.250 1.336 6.807 1.00 62.43 H new ATOM 0 HG21 ILE A 55 4.277 0.347 4.478 1.00 2.32 H new ATOM 0 HG22 ILE A 55 4.362 -1.419 4.279 1.00 2.32 H new ATOM 0 HG23 ILE A 55 2.840 -0.654 4.795 1.00 2.32 H new ATOM 0 HD11 ILE A 55 1.977 1.376 7.711 1.00 14.24 H new ATOM 0 HD12 ILE A 55 1.983 0.699 6.065 1.00 14.24 H new ATOM 0 HD13 ILE A 55 1.837 -0.381 7.471 1.00 14.24 H new ATOM 851 N LEU A 56 3.906 -4.185 5.646 1.00 21.44 N ATOM 852 CA LEU A 56 4.524 -5.321 4.970 1.00 5.02 C ATOM 853 C LEU A 56 4.904 -4.961 3.537 1.00 64.03 C ATOM 854 O LEU A 56 4.059 -4.537 2.749 1.00 44.51 O ATOM 855 CB LEU A 56 3.575 -6.521 4.972 1.00 32.40 C ATOM 856 CG LEU A 56 4.259 -7.890 4.960 1.00 52.12 C ATOM 857 CD1 LEU A 56 3.227 -9.002 4.852 1.00 14.55 C ATOM 858 CD2 LEU A 56 5.259 -7.976 3.817 1.00 44.44 C ATOM 0 H LEU A 56 2.886 -4.193 5.638 1.00 21.44 H new ATOM 0 HA LEU A 56 5.432 -5.584 5.512 1.00 5.02 H new ATOM 0 HB2 LEU A 56 2.937 -6.459 5.854 1.00 32.40 H new ATOM 0 HB3 LEU A 56 2.923 -6.450 4.101 1.00 32.40 H new ATOM 0 HG LEU A 56 4.799 -8.013 5.899 1.00 52.12 H new ATOM 0 HD11 LEU A 56 3.732 -9.968 4.845 1.00 14.55 H new ATOM 0 HD12 LEU A 56 2.549 -8.953 5.704 1.00 14.55 H new ATOM 0 HD13 LEU A 56 2.659 -8.883 3.929 1.00 14.55 H new ATOM 0 HD21 LEU A 56 5.736 -8.956 3.824 1.00 44.44 H new ATOM 0 HD22 LEU A 56 4.741 -7.831 2.869 1.00 44.44 H new ATOM 0 HD23 LEU A 56 6.018 -7.203 3.938 1.00 44.44 H new ATOM 870 N ASP A 57 6.180 -5.135 3.208 1.00 44.33 N ATOM 871 CA ASP A 57 6.672 -4.830 1.870 1.00 50.41 C ATOM 872 C ASP A 57 6.819 -6.102 1.041 1.00 34.03 C ATOM 873 O ASP A 57 7.799 -6.835 1.179 1.00 0.33 O ATOM 874 CB ASP A 57 8.016 -4.102 1.952 1.00 11.22 C ATOM 875 CG ASP A 57 8.547 -3.710 0.587 1.00 51.45 C ATOM 876 OD1 ASP A 57 7.786 -3.102 -0.195 1.00 20.11 O ATOM 877 OD2 ASP A 57 9.724 -4.012 0.298 1.00 64.12 O ATOM 0 H ASP A 57 6.891 -5.485 3.849 1.00 44.33 H new ATOM 0 HA ASP A 57 5.945 -4.182 1.381 1.00 50.41 H new ATOM 0 HB2 ASP A 57 7.905 -3.208 2.566 1.00 11.22 H new ATOM 0 HB3 ASP A 57 8.743 -4.743 2.451 1.00 11.22 H new ATOM 882 N THR A 58 5.839 -6.360 0.182 1.00 40.43 N ATOM 883 CA THR A 58 5.860 -7.545 -0.668 1.00 2.30 C ATOM 884 C THR A 58 6.661 -7.289 -1.940 1.00 11.51 C ATOM 885 O THR A 58 7.254 -6.223 -2.109 1.00 21.01 O ATOM 886 CB THR A 58 4.434 -7.966 -1.026 1.00 75.42 C ATOM 887 OG1 THR A 58 3.874 -7.083 -1.981 1.00 33.31 O ATOM 888 CG2 THR A 58 3.503 -8.002 0.168 1.00 2.31 C ATOM 0 H THR A 58 5.020 -5.765 0.056 1.00 40.43 H new ATOM 0 HA THR A 58 6.342 -8.350 -0.113 1.00 2.30 H new ATOM 0 HB THR A 58 4.524 -8.975 -1.428 1.00 75.42 H new ATOM 0 HG1 THR A 58 3.275 -6.452 -1.531 1.00 33.31 H new ATOM 0 HG21 THR A 58 2.508 -8.308 -0.155 1.00 2.31 H new ATOM 0 HG22 THR A 58 3.881 -8.713 0.902 1.00 2.31 H new ATOM 0 HG23 THR A 58 3.449 -7.010 0.618 1.00 2.31 H new ATOM 896 N ALA A 59 6.676 -8.274 -2.832 1.00 14.21 N ATOM 897 CA ALA A 59 7.406 -8.156 -4.089 1.00 54.24 C ATOM 898 C ALA A 59 6.494 -7.670 -5.211 1.00 43.34 C ATOM 899 O ALA A 59 5.295 -7.949 -5.215 1.00 33.24 O ATOM 900 CB ALA A 59 8.035 -9.491 -4.460 1.00 13.13 C ATOM 0 H ALA A 59 6.191 -9.163 -2.708 1.00 14.21 H new ATOM 0 HA ALA A 59 8.197 -7.418 -3.953 1.00 54.24 H new ATOM 0 HB1 ALA A 59 8.577 -9.389 -5.400 1.00 13.13 H new ATOM 0 HB2 ALA A 59 8.725 -9.799 -3.675 1.00 13.13 H new ATOM 0 HB3 ALA A 59 7.254 -10.243 -4.571 1.00 13.13 H new ATOM 1002 N MET A 67 3.841 -17.087 -1.886 1.00 65.05 N ATOM 1003 CA MET A 67 3.949 -16.241 -0.702 1.00 1.05 C ATOM 1004 C MET A 67 2.975 -15.069 -0.779 1.00 74.11 C ATOM 1005 O MET A 67 2.523 -14.558 0.246 1.00 60.21 O ATOM 1006 CB MET A 67 5.384 -15.725 -0.540 1.00 24.12 C ATOM 1007 CG MET A 67 6.449 -16.650 -1.115 1.00 30.34 C ATOM 1008 SD MET A 67 6.209 -18.380 -0.656 1.00 11.33 S ATOM 1009 CE MET A 67 7.607 -18.642 0.428 1.00 42.10 C ATOM 0 HA MET A 67 3.692 -16.845 0.168 1.00 1.05 H new ATOM 0 HB2 MET A 67 5.465 -14.751 -1.024 1.00 24.12 H new ATOM 0 HB3 MET A 67 5.586 -15.572 0.520 1.00 24.12 H new ATOM 0 HG2 MET A 67 6.447 -16.565 -2.202 1.00 30.34 H new ATOM 0 HG3 MET A 67 7.430 -16.322 -0.772 1.00 30.34 H new ATOM 0 HE1 MET A 67 7.596 -19.669 0.794 1.00 42.10 H new ATOM 0 HE2 MET A 67 8.532 -18.462 -0.120 1.00 42.10 H new ATOM 0 HE3 MET A 67 7.546 -17.955 1.272 1.00 42.10 H new ATOM 1019 N ARG A 68 2.652 -14.651 -1.999 1.00 21.35 N ATOM 1020 CA ARG A 68 1.727 -13.542 -2.207 1.00 61.11 C ATOM 1021 C ARG A 68 0.390 -13.818 -1.523 1.00 52.05 C ATOM 1022 O ARG A 68 -0.241 -12.910 -0.981 1.00 0.04 O ATOM 1023 CB ARG A 68 1.516 -13.306 -3.704 1.00 22.14 C ATOM 1024 CG ARG A 68 1.909 -11.910 -4.158 1.00 10.33 C ATOM 1025 CD ARG A 68 0.833 -11.278 -5.025 1.00 13.30 C ATOM 1026 NE ARG A 68 1.400 -10.530 -6.144 1.00 45.42 N ATOM 1027 CZ ARG A 68 0.686 -10.081 -7.172 1.00 72.53 C ATOM 1028 NH1 ARG A 68 -0.622 -10.302 -7.226 1.00 33.14 N ATOM 1029 NH2 ARG A 68 1.279 -9.409 -8.149 1.00 63.34 N ATOM 0 H ARG A 68 3.017 -15.063 -2.858 1.00 21.35 H new ATOM 0 HA ARG A 68 2.160 -12.645 -1.765 1.00 61.11 H new ATOM 0 HB2 ARG A 68 2.096 -14.039 -4.265 1.00 22.14 H new ATOM 0 HB3 ARG A 68 0.467 -13.477 -3.947 1.00 22.14 H new ATOM 0 HG2 ARG A 68 2.090 -11.281 -3.286 1.00 10.33 H new ATOM 0 HG3 ARG A 68 2.844 -11.958 -4.716 1.00 10.33 H new ATOM 0 HD2 ARG A 68 0.172 -12.056 -5.407 1.00 13.30 H new ATOM 0 HD3 ARG A 68 0.222 -10.612 -4.416 1.00 13.30 H new ATOM 0 HE ARG A 68 2.402 -10.341 -6.136 1.00 45.42 H new ATOM 0 HH11 ARG A 68 -1.083 -10.818 -6.477 1.00 33.14 H new ATOM 0 HH12 ARG A 68 -1.166 -9.956 -8.017 1.00 33.14 H new ATOM 0 HH21 ARG A 68 2.284 -9.236 -8.112 1.00 63.34 H new ATOM 0 HH22 ARG A 68 0.731 -9.065 -8.937 1.00 63.34 H new ATOM 1043 N ASP A 69 -0.031 -15.078 -1.550 1.00 41.32 N ATOM 1044 CA ASP A 69 -1.288 -15.478 -0.928 1.00 1.14 C ATOM 1045 C ASP A 69 -1.134 -15.564 0.587 1.00 63.45 C ATOM 1046 O ASP A 69 -2.069 -15.281 1.334 1.00 13.44 O ATOM 1047 CB ASP A 69 -1.749 -16.827 -1.488 1.00 10.31 C ATOM 1048 CG ASP A 69 -2.881 -16.682 -2.486 1.00 10.24 C ATOM 1049 OD1 ASP A 69 -2.905 -15.667 -3.213 1.00 24.30 O ATOM 1050 OD2 ASP A 69 -3.742 -17.586 -2.542 1.00 62.03 O ATOM 0 H ASP A 69 0.480 -15.840 -1.996 1.00 41.32 H new ATOM 0 HA ASP A 69 -2.041 -14.724 -1.157 1.00 1.14 H new ATOM 0 HB2 ASP A 69 -0.907 -17.325 -1.968 1.00 10.31 H new ATOM 0 HB3 ASP A 69 -2.072 -17.467 -0.667 1.00 10.31 H new ATOM 1055 N GLN A 70 0.057 -15.954 1.031 1.00 45.21 N ATOM 1056 CA GLN A 70 0.340 -16.075 2.456 1.00 62.12 C ATOM 1057 C GLN A 70 0.370 -14.702 3.118 1.00 1.34 C ATOM 1058 O GLN A 70 -0.112 -14.532 4.238 1.00 54.41 O ATOM 1059 CB GLN A 70 1.675 -16.790 2.676 1.00 24.12 C ATOM 1060 CG GLN A 70 1.919 -17.194 4.120 1.00 42.22 C ATOM 1061 CD GLN A 70 1.780 -18.689 4.340 1.00 62.11 C ATOM 1062 OE1 GLN A 70 1.809 -19.473 3.392 1.00 74.03 O ATOM 1063 NE2 GLN A 70 1.629 -19.091 5.597 1.00 34.54 N ATOM 0 H GLN A 70 0.841 -16.192 0.424 1.00 45.21 H new ATOM 0 HA GLN A 70 -0.456 -16.664 2.912 1.00 62.12 H new ATOM 0 HB2 GLN A 70 1.708 -17.680 2.048 1.00 24.12 H new ATOM 0 HB3 GLN A 70 2.485 -16.138 2.348 1.00 24.12 H new ATOM 0 HG2 GLN A 70 2.919 -16.878 4.418 1.00 42.22 H new ATOM 0 HG3 GLN A 70 1.214 -16.669 4.764 1.00 42.22 H new ATOM 0 HE21 GLN A 70 1.611 -18.406 6.353 1.00 34.54 H new ATOM 0 HE22 GLN A 70 1.532 -20.084 5.806 1.00 34.54 H new ATOM 1072 N TYR A 71 0.939 -13.724 2.418 1.00 61.11 N ATOM 1073 CA TYR A 71 1.030 -12.365 2.938 1.00 12.31 C ATOM 1074 C TYR A 71 -0.357 -11.813 3.253 1.00 42.51 C ATOM 1075 O TYR A 71 -0.542 -11.092 4.233 1.00 62.23 O ATOM 1076 CB TYR A 71 1.747 -11.457 1.937 1.00 61.02 C ATOM 1077 CG TYR A 71 3.209 -11.800 1.749 1.00 25.41 C ATOM 1078 CD1 TYR A 71 4.005 -12.151 2.833 1.00 3.40 C ATOM 1079 CD2 TYR A 71 3.791 -11.776 0.488 1.00 62.54 C ATOM 1080 CE1 TYR A 71 5.340 -12.467 2.665 1.00 14.30 C ATOM 1081 CE2 TYR A 71 5.125 -12.093 0.312 1.00 31.51 C ATOM 1082 CZ TYR A 71 5.895 -12.437 1.403 1.00 42.03 C ATOM 1083 OH TYR A 71 7.223 -12.754 1.232 1.00 15.25 O ATOM 0 H TYR A 71 1.343 -13.848 1.490 1.00 61.11 H new ATOM 0 HA TYR A 71 1.608 -12.392 3.862 1.00 12.31 H new ATOM 0 HB2 TYR A 71 1.241 -11.520 0.974 1.00 61.02 H new ATOM 0 HB3 TYR A 71 1.665 -10.423 2.273 1.00 61.02 H new ATOM 0 HD1 TYR A 71 3.573 -12.177 3.823 1.00 3.40 H new ATOM 0 HD2 TYR A 71 3.192 -11.505 -0.369 1.00 62.54 H new ATOM 0 HE1 TYR A 71 5.945 -12.736 3.518 1.00 14.30 H new ATOM 0 HE2 TYR A 71 5.562 -12.071 -0.675 1.00 31.51 H new ATOM 0 HH TYR A 71 7.456 -12.685 0.283 1.00 15.25 H new ATOM 1093 N MET A 72 -1.333 -12.165 2.421 1.00 62.14 N ATOM 1094 CA MET A 72 -2.703 -11.713 2.623 1.00 54.42 C ATOM 1095 C MET A 72 -3.253 -12.277 3.928 1.00 41.42 C ATOM 1096 O MET A 72 -3.817 -11.549 4.744 1.00 61.41 O ATOM 1097 CB MET A 72 -3.585 -12.141 1.449 1.00 2.23 C ATOM 1098 CG MET A 72 -2.948 -11.896 0.089 1.00 43.22 C ATOM 1099 SD MET A 72 -4.046 -11.028 -1.050 1.00 34.33 S ATOM 1100 CE MET A 72 -2.859 -10.165 -2.077 1.00 21.43 C ATOM 0 H MET A 72 -1.200 -12.760 1.603 1.00 62.14 H new ATOM 0 HA MET A 72 -2.706 -10.624 2.680 1.00 54.42 H new ATOM 0 HB2 MET A 72 -3.817 -13.202 1.547 1.00 2.23 H new ATOM 0 HB3 MET A 72 -4.531 -11.602 1.500 1.00 2.23 H new ATOM 0 HG2 MET A 72 -2.035 -11.315 0.220 1.00 43.22 H new ATOM 0 HG3 MET A 72 -2.659 -12.851 -0.349 1.00 43.22 H new ATOM 0 HE1 MET A 72 -3.358 -9.354 -2.607 1.00 21.43 H new ATOM 0 HE2 MET A 72 -2.066 -9.755 -1.451 1.00 21.43 H new ATOM 0 HE3 MET A 72 -2.429 -10.860 -2.799 1.00 21.43 H new ATOM 1110 N ARG A 73 -3.070 -13.580 4.119 1.00 63.11 N ATOM 1111 CA ARG A 73 -3.531 -14.252 5.330 1.00 64.42 C ATOM 1112 C ARG A 73 -2.737 -13.793 6.553 1.00 73.33 C ATOM 1113 O ARG A 73 -3.117 -14.075 7.690 1.00 72.42 O ATOM 1114 CB ARG A 73 -3.407 -15.768 5.174 1.00 54.25 C ATOM 1115 CG ARG A 73 -4.117 -16.315 3.948 1.00 41.14 C ATOM 1116 CD ARG A 73 -4.098 -17.835 3.924 1.00 32.42 C ATOM 1117 NE ARG A 73 -2.777 -18.372 4.242 1.00 54.54 N ATOM 1118 CZ ARG A 73 -2.561 -19.631 4.617 1.00 23.35 C ATOM 1119 NH1 ARG A 73 -3.573 -20.484 4.721 1.00 22.32 N ATOM 1120 NH2 ARG A 73 -1.329 -20.039 4.890 1.00 33.32 N ATOM 0 H ARG A 73 -2.605 -14.193 3.449 1.00 63.11 H new ATOM 0 HA ARG A 73 -4.578 -13.988 5.480 1.00 64.42 H new ATOM 0 HB2 ARG A 73 -2.351 -16.034 5.120 1.00 54.25 H new ATOM 0 HB3 ARG A 73 -3.812 -16.250 6.063 1.00 54.25 H new ATOM 0 HG2 ARG A 73 -5.149 -15.963 3.936 1.00 41.14 H new ATOM 0 HG3 ARG A 73 -3.639 -15.930 3.047 1.00 41.14 H new ATOM 0 HD2 ARG A 73 -4.826 -18.218 4.639 1.00 32.42 H new ATOM 0 HD3 ARG A 73 -4.404 -18.186 2.938 1.00 32.42 H new ATOM 0 HE ARG A 73 -1.974 -17.746 4.173 1.00 54.54 H new ATOM 0 HH11 ARG A 73 -4.523 -20.176 4.513 1.00 22.32 H new ATOM 0 HH12 ARG A 73 -3.401 -21.447 5.009 1.00 22.32 H new ATOM 0 HH21 ARG A 73 -0.547 -19.388 4.813 1.00 33.32 H new ATOM 0 HH22 ARG A 73 -1.163 -21.004 5.177 1.00 33.32 H new ATOM 1134 N THR A 74 -1.633 -13.084 6.318 1.00 11.31 N ATOM 1135 CA THR A 74 -0.797 -12.590 7.404 1.00 73.24 C ATOM 1136 C THR A 74 -1.096 -11.123 7.698 1.00 33.02 C ATOM 1137 O THR A 74 -0.645 -10.580 8.707 1.00 25.41 O ATOM 1138 CB THR A 74 0.684 -12.747 7.055 1.00 53.23 C ATOM 1139 OG1 THR A 74 1.025 -11.944 5.940 1.00 23.02 O ATOM 1140 CG2 THR A 74 1.077 -14.171 6.731 1.00 62.11 C ATOM 0 H THR A 74 -1.300 -12.841 5.385 1.00 11.31 H new ATOM 0 HA THR A 74 -1.023 -13.181 8.292 1.00 73.24 H new ATOM 0 HB THR A 74 1.224 -12.433 7.948 1.00 53.23 H new ATOM 0 HG1 THR A 74 0.208 -11.601 5.522 1.00 23.02 H new ATOM 0 HG21 THR A 74 2.140 -14.210 6.493 1.00 62.11 H new ATOM 0 HG22 THR A 74 0.874 -14.809 7.591 1.00 62.11 H new ATOM 0 HG23 THR A 74 0.500 -14.522 5.875 1.00 62.11 H new ATOM 1148 N GLY A 75 -1.847 -10.481 6.806 1.00 44.13 N ATOM 1149 CA GLY A 75 -2.174 -9.084 6.988 1.00 72.00 C ATOM 1150 C GLY A 75 -3.635 -8.849 7.311 1.00 4.42 C ATOM 1151 O GLY A 75 -4.508 -9.590 6.859 1.00 40.32 O ATOM 0 H GLY A 75 -2.233 -10.906 5.963 1.00 44.13 H new ATOM 0 HA2 GLY A 75 -1.561 -8.676 7.792 1.00 72.00 H new ATOM 0 HA3 GLY A 75 -1.917 -8.536 6.081 1.00 72.00 H new ATOM 1155 N GLU A 76 -3.898 -7.805 8.089 1.00 54.14 N ATOM 1156 CA GLU A 76 -5.261 -7.454 8.471 1.00 43.52 C ATOM 1157 C GLU A 76 -5.874 -6.493 7.455 1.00 0.43 C ATOM 1158 O GLU A 76 -7.094 -6.382 7.350 1.00 41.23 O ATOM 1159 CB GLU A 76 -5.274 -6.820 9.864 1.00 74.21 C ATOM 1160 CG GLU A 76 -4.456 -7.589 10.889 1.00 24.32 C ATOM 1161 CD GLU A 76 -5.046 -7.509 12.284 1.00 23.23 C ATOM 1162 OE1 GLU A 76 -6.256 -7.778 12.433 1.00 54.01 O ATOM 1163 OE2 GLU A 76 -4.297 -7.178 13.227 1.00 55.11 O ATOM 0 H GLU A 76 -3.183 -7.185 8.469 1.00 54.14 H new ATOM 0 HA GLU A 76 -5.857 -8.366 8.491 1.00 43.52 H new ATOM 0 HB2 GLU A 76 -4.890 -5.802 9.795 1.00 74.21 H new ATOM 0 HB3 GLU A 76 -6.304 -6.749 10.212 1.00 74.21 H new ATOM 0 HG2 GLU A 76 -4.390 -8.634 10.586 1.00 24.32 H new ATOM 0 HG3 GLU A 76 -3.439 -7.197 10.905 1.00 24.32 H new ATOM 1170 N GLY A 77 -5.014 -5.804 6.708 1.00 32.21 N ATOM 1171 CA GLY A 77 -5.480 -4.862 5.706 1.00 75.23 C ATOM 1172 C GLY A 77 -4.642 -4.910 4.443 1.00 11.31 C ATOM 1173 O GLY A 77 -3.759 -5.757 4.309 1.00 34.23 O ATOM 0 H GLY A 77 -4.000 -5.883 6.780 1.00 32.21 H new ATOM 0 HA2 GLY A 77 -6.519 -5.080 5.459 1.00 75.23 H new ATOM 0 HA3 GLY A 77 -5.456 -3.853 6.118 1.00 75.23 H new ATOM 1177 N PHE A 78 -4.918 -4.002 3.512 1.00 31.14 N ATOM 1178 CA PHE A 78 -4.180 -3.950 2.255 1.00 12.22 C ATOM 1179 C PHE A 78 -4.127 -2.526 1.710 1.00 60.32 C ATOM 1180 O PHE A 78 -5.134 -1.820 1.694 1.00 51.42 O ATOM 1181 CB PHE A 78 -4.826 -4.879 1.225 1.00 32.35 C ATOM 1182 CG PHE A 78 -4.826 -6.323 1.638 1.00 70.35 C ATOM 1183 CD1 PHE A 78 -5.877 -6.848 2.375 1.00 51.30 C ATOM 1184 CD2 PHE A 78 -3.775 -7.156 1.290 1.00 60.33 C ATOM 1185 CE1 PHE A 78 -5.878 -8.176 2.757 1.00 42.14 C ATOM 1186 CE2 PHE A 78 -3.770 -8.484 1.670 1.00 12.53 C ATOM 1187 CZ PHE A 78 -4.823 -8.995 2.404 1.00 72.12 C ATOM 0 H PHE A 78 -5.646 -3.294 3.604 1.00 31.14 H new ATOM 0 HA PHE A 78 -3.160 -4.282 2.447 1.00 12.22 H new ATOM 0 HB2 PHE A 78 -5.853 -4.559 1.052 1.00 32.35 H new ATOM 0 HB3 PHE A 78 -4.298 -4.780 0.277 1.00 32.35 H new ATOM 0 HD1 PHE A 78 -6.704 -6.212 2.654 1.00 51.30 H new ATOM 0 HD2 PHE A 78 -2.950 -6.762 0.715 1.00 60.33 H new ATOM 0 HE1 PHE A 78 -6.702 -8.573 3.331 1.00 42.14 H new ATOM 0 HE2 PHE A 78 -2.944 -9.122 1.394 1.00 12.53 H new ATOM 0 HZ PHE A 78 -4.821 -10.033 2.701 1.00 72.12 H new ATOM 1197 N LEU A 79 -2.945 -2.111 1.266 1.00 0.35 N ATOM 1198 CA LEU A 79 -2.762 -0.770 0.721 1.00 14.11 C ATOM 1199 C LEU A 79 -2.366 -0.829 -0.752 1.00 72.05 C ATOM 1200 O LEU A 79 -1.248 -1.218 -1.089 1.00 13.13 O ATOM 1201 CB LEU A 79 -1.699 -0.011 1.520 1.00 23.13 C ATOM 1202 CG LEU A 79 -2.088 1.413 1.927 1.00 74.03 C ATOM 1203 CD1 LEU A 79 -2.558 1.446 3.374 1.00 53.23 C ATOM 1204 CD2 LEU A 79 -0.918 2.366 1.724 1.00 62.14 C ATOM 0 H LEU A 79 -2.100 -2.683 1.273 1.00 0.35 H new ATOM 0 HA LEU A 79 -3.711 -0.240 0.801 1.00 14.11 H new ATOM 0 HB2 LEU A 79 -1.468 -0.580 2.421 1.00 23.13 H new ATOM 0 HB3 LEU A 79 -0.785 0.034 0.928 1.00 23.13 H new ATOM 0 HG LEU A 79 -2.911 1.739 1.291 1.00 74.03 H new ATOM 0 HD11 LEU A 79 -2.830 2.466 3.645 1.00 53.23 H new ATOM 0 HD12 LEU A 79 -3.425 0.796 3.490 1.00 53.23 H new ATOM 0 HD13 LEU A 79 -1.756 1.099 4.025 1.00 53.23 H new ATOM 0 HD21 LEU A 79 -1.214 3.373 2.019 1.00 62.14 H new ATOM 0 HD22 LEU A 79 -0.075 2.042 2.334 1.00 62.14 H new ATOM 0 HD23 LEU A 79 -0.627 2.366 0.674 1.00 62.14 H new ATOM 1216 N CYS A 80 -3.290 -0.438 -1.624 1.00 2.41 N ATOM 1217 CA CYS A 80 -3.036 -0.445 -3.060 1.00 32.32 C ATOM 1218 C CYS A 80 -2.425 0.877 -3.510 1.00 72.11 C ATOM 1219 O CYS A 80 -2.957 1.949 -3.221 1.00 20.50 O ATOM 1220 CB CYS A 80 -4.332 -0.707 -3.829 1.00 34.34 C ATOM 1221 SG CYS A 80 -4.696 -2.459 -4.087 1.00 32.12 S ATOM 0 H CYS A 80 -4.220 -0.113 -1.361 1.00 2.41 H new ATOM 0 HA CYS A 80 -2.327 -1.245 -3.273 1.00 32.32 H new ATOM 0 HB2 CYS A 80 -5.161 -0.250 -3.289 1.00 34.34 H new ATOM 0 HB3 CYS A 80 -4.273 -0.213 -4.799 1.00 34.34 H new ATOM 0 HG CYS A 80 -5.812 -2.578 -4.744 1.00 32.12 H new ATOM 1227 N VAL A 81 -1.306 0.794 -4.222 1.00 20.01 N ATOM 1228 CA VAL A 81 -0.624 1.984 -4.714 1.00 32.33 C ATOM 1229 C VAL A 81 -0.616 2.020 -6.239 1.00 51.45 C ATOM 1230 O VAL A 81 -0.318 1.019 -6.891 1.00 31.32 O ATOM 1231 CB VAL A 81 0.826 2.056 -4.198 1.00 14.22 C ATOM 1232 CG1 VAL A 81 0.850 2.090 -2.677 1.00 43.23 C ATOM 1233 CG2 VAL A 81 1.644 0.885 -4.723 1.00 55.34 C ATOM 0 H VAL A 81 -0.853 -0.085 -4.471 1.00 20.01 H new ATOM 0 HA VAL A 81 -1.176 2.845 -4.337 1.00 32.33 H new ATOM 0 HB VAL A 81 1.276 2.977 -4.569 1.00 14.22 H new ATOM 0 HG11 VAL A 81 1.882 2.141 -2.330 1.00 43.23 H new ATOM 0 HG12 VAL A 81 0.305 2.966 -2.324 1.00 43.23 H new ATOM 0 HG13 VAL A 81 0.380 1.188 -2.285 1.00 43.23 H new ATOM 0 HG21 VAL A 81 2.664 0.956 -4.346 1.00 55.34 H new ATOM 0 HG22 VAL A 81 1.197 -0.051 -4.387 1.00 55.34 H new ATOM 0 HG23 VAL A 81 1.657 0.910 -5.813 1.00 55.34 H new ATOM 1243 N PHE A 82 -0.945 3.178 -6.801 1.00 12.45 N ATOM 1244 CA PHE A 82 -0.974 3.341 -8.249 1.00 22.43 C ATOM 1245 C PHE A 82 -0.317 4.659 -8.656 1.00 65.11 C ATOM 1246 O PHE A 82 -0.634 5.716 -8.111 1.00 70.30 O ATOM 1247 CB PHE A 82 -2.423 3.266 -8.759 1.00 14.40 C ATOM 1248 CG PHE A 82 -2.886 4.483 -9.515 1.00 30.52 C ATOM 1249 CD1 PHE A 82 -2.626 4.613 -10.870 1.00 24.02 C ATOM 1250 CD2 PHE A 82 -3.578 5.495 -8.869 1.00 24.02 C ATOM 1251 CE1 PHE A 82 -3.048 5.729 -11.567 1.00 52.25 C ATOM 1252 CE2 PHE A 82 -4.002 6.614 -9.561 1.00 4.35 C ATOM 1253 CZ PHE A 82 -3.737 6.731 -10.912 1.00 72.00 C ATOM 0 H PHE A 82 -1.195 4.016 -6.276 1.00 12.45 H new ATOM 0 HA PHE A 82 -0.406 2.531 -8.706 1.00 22.43 H new ATOM 0 HB2 PHE A 82 -2.522 2.394 -9.405 1.00 14.40 H new ATOM 0 HB3 PHE A 82 -3.086 3.109 -7.908 1.00 14.40 H new ATOM 0 HD1 PHE A 82 -2.087 3.833 -11.387 1.00 24.02 H new ATOM 0 HD2 PHE A 82 -3.788 5.408 -7.813 1.00 24.02 H new ATOM 0 HE1 PHE A 82 -2.839 5.818 -12.623 1.00 52.25 H new ATOM 0 HE2 PHE A 82 -4.540 7.396 -9.046 1.00 4.35 H new ATOM 0 HZ PHE A 82 -4.068 7.604 -11.455 1.00 72.00 H new ATOM 1263 N ALA A 83 0.599 4.585 -9.616 1.00 14.34 N ATOM 1264 CA ALA A 83 1.300 5.770 -10.094 1.00 30.20 C ATOM 1265 C ALA A 83 0.582 6.388 -11.289 1.00 72.42 C ATOM 1266 O ALA A 83 0.351 5.723 -12.299 1.00 53.42 O ATOM 1267 CB ALA A 83 2.735 5.423 -10.459 1.00 23.25 C ATOM 0 H ALA A 83 0.873 3.718 -10.078 1.00 14.34 H new ATOM 0 HA ALA A 83 1.310 6.505 -9.290 1.00 30.20 H new ATOM 0 HB1 ALA A 83 3.247 6.318 -10.814 1.00 23.25 H new ATOM 0 HB2 ALA A 83 3.250 5.035 -9.580 1.00 23.25 H new ATOM 0 HB3 ALA A 83 2.738 4.667 -11.244 1.00 23.25 H new ATOM 1273 N ILE A 84 0.232 7.664 -11.167 1.00 3.22 N ATOM 1274 CA ILE A 84 -0.459 8.375 -12.236 1.00 45.21 C ATOM 1275 C ILE A 84 0.381 8.399 -13.508 1.00 62.34 C ATOM 1276 O ILE A 84 -0.153 8.402 -14.617 1.00 41.52 O ATOM 1277 CB ILE A 84 -0.789 9.821 -11.825 1.00 42.14 C ATOM 1278 CG1 ILE A 84 0.461 10.523 -11.292 1.00 1.34 C ATOM 1279 CG2 ILE A 84 -1.888 9.832 -10.778 1.00 72.23 C ATOM 1280 CD1 ILE A 84 0.416 12.029 -11.432 1.00 63.31 C ATOM 0 H ILE A 84 0.416 8.228 -10.337 1.00 3.22 H new ATOM 0 HA ILE A 84 -1.389 7.839 -12.426 1.00 45.21 H new ATOM 0 HB ILE A 84 -1.140 10.361 -12.705 1.00 42.14 H new ATOM 0 HG12 ILE A 84 0.590 10.268 -10.240 1.00 1.34 H new ATOM 0 HG13 ILE A 84 1.335 10.143 -11.822 1.00 1.34 H new ATOM 0 HG21 ILE A 84 -2.112 10.861 -10.496 1.00 72.23 H new ATOM 0 HG22 ILE A 84 -2.784 9.365 -11.186 1.00 72.23 H new ATOM 0 HG23 ILE A 84 -1.558 9.278 -9.899 1.00 72.23 H new ATOM 0 HD11 ILE A 84 1.335 12.459 -11.033 1.00 63.31 H new ATOM 0 HD12 ILE A 84 0.318 12.294 -12.485 1.00 63.31 H new ATOM 0 HD13 ILE A 84 -0.438 12.420 -10.879 1.00 63.31 H new ATOM 1292 N ASN A 85 1.697 8.414 -13.336 1.00 25.14 N ATOM 1293 CA ASN A 85 2.618 8.436 -14.466 1.00 63.24 C ATOM 1294 C ASN A 85 2.626 7.092 -15.189 1.00 25.32 C ATOM 1295 O ASN A 85 2.930 7.020 -16.380 1.00 54.23 O ATOM 1296 CB ASN A 85 4.030 8.786 -13.987 1.00 20.04 C ATOM 1297 CG ASN A 85 5.061 8.718 -15.099 1.00 33.10 C ATOM 1298 OD1 ASN A 85 6.064 7.866 -14.923 1.00 15.12 O flip ATOM 1299 ND2 ASN A 85 4.955 9.421 -16.103 1.00 70.01 N flip ATOM 0 H ASN A 85 2.151 8.411 -12.423 1.00 25.14 H new ATOM 0 HA ASN A 85 2.280 9.199 -15.168 1.00 63.24 H new ATOM 0 HB2 ASN A 85 4.026 9.790 -13.562 1.00 20.04 H new ATOM 0 HB3 ASN A 85 4.318 8.102 -13.188 1.00 20.04 H new ATOM 0 HD21 ASN A 85 4.167 10.062 -16.196 1.00 70.01 H new ATOM 0 HD22 ASN A 85 5.655 9.363 -16.843 1.00 70.01 H new ATOM 1306 N ASN A 86 2.291 6.029 -14.464 1.00 52.30 N ATOM 1307 CA ASN A 86 2.261 4.690 -15.042 1.00 50.24 C ATOM 1308 C ASN A 86 0.840 4.137 -15.060 1.00 42.12 C ATOM 1309 O ASN A 86 0.341 3.647 -14.047 1.00 14.44 O ATOM 1310 CB ASN A 86 3.177 3.751 -14.255 1.00 73.35 C ATOM 1311 CG ASN A 86 3.812 2.692 -15.135 1.00 22.11 C ATOM 1312 OD1 ASN A 86 4.322 2.989 -16.215 1.00 0.13 O ATOM 1313 ND2 ASN A 86 3.783 1.446 -14.676 1.00 35.11 N ATOM 0 H ASN A 86 2.037 6.069 -13.477 1.00 52.30 H new ATOM 0 HA ASN A 86 2.618 4.757 -16.070 1.00 50.24 H new ATOM 0 HB2 ASN A 86 3.960 4.334 -13.770 1.00 73.35 H new ATOM 0 HB3 ASN A 86 2.604 3.267 -13.464 1.00 73.35 H new ATOM 0 HD21 ASN A 86 4.194 0.691 -15.225 1.00 35.11 H new ATOM 0 HD22 ASN A 86 3.350 1.244 -13.775 1.00 35.11 H new ATOM 1320 N THR A 87 0.193 4.219 -16.218 1.00 33.14 N ATOM 1321 CA THR A 87 -1.171 3.725 -16.369 1.00 20.43 C ATOM 1322 C THR A 87 -1.256 2.241 -16.027 1.00 33.01 C ATOM 1323 O THR A 87 -2.301 1.752 -15.599 1.00 73.54 O ATOM 1324 CB THR A 87 -1.668 3.961 -17.796 1.00 52.54 C ATOM 1325 OG1 THR A 87 -1.240 5.224 -18.274 1.00 51.51 O ATOM 1326 CG2 THR A 87 -3.175 3.909 -17.922 1.00 3.43 C ATOM 0 H THR A 87 0.591 4.623 -17.066 1.00 33.14 H new ATOM 0 HA THR A 87 -1.807 4.275 -15.675 1.00 20.43 H new ATOM 0 HB THR A 87 -1.242 3.150 -18.387 1.00 52.54 H new ATOM 0 HG1 THR A 87 -0.977 5.788 -17.517 1.00 51.51 H new ATOM 0 HG21 THR A 87 -3.460 4.084 -18.959 1.00 3.43 H new ATOM 0 HG22 THR A 87 -3.533 2.928 -17.608 1.00 3.43 H new ATOM 0 HG23 THR A 87 -3.620 4.677 -17.289 1.00 3.43 H new ATOM 1334 N LYS A 88 -0.149 1.528 -16.216 1.00 40.43 N ATOM 1335 CA LYS A 88 -0.101 0.100 -15.925 1.00 45.13 C ATOM 1336 C LYS A 88 -0.469 -0.170 -14.469 1.00 35.14 C ATOM 1337 O LYS A 88 -1.249 -1.075 -14.173 1.00 53.32 O ATOM 1338 CB LYS A 88 1.293 -0.456 -16.221 1.00 44.40 C ATOM 1339 CG LYS A 88 1.513 -0.795 -17.686 1.00 63.50 C ATOM 1340 CD LYS A 88 2.556 -1.887 -17.855 1.00 41.04 C ATOM 1341 CE LYS A 88 3.942 -1.404 -17.457 1.00 3.03 C ATOM 1342 NZ LYS A 88 4.918 -1.537 -18.574 1.00 65.43 N ATOM 0 H LYS A 88 0.726 1.916 -16.569 1.00 40.43 H new ATOM 0 HA LYS A 88 -0.828 -0.401 -16.565 1.00 45.13 H new ATOM 0 HB2 LYS A 88 2.040 0.274 -15.909 1.00 44.40 H new ATOM 0 HB3 LYS A 88 1.453 -1.352 -15.621 1.00 44.40 H new ATOM 0 HG2 LYS A 88 0.572 -1.118 -18.131 1.00 63.50 H new ATOM 0 HG3 LYS A 88 1.830 0.099 -18.224 1.00 63.50 H new ATOM 0 HD2 LYS A 88 2.282 -2.749 -17.247 1.00 41.04 H new ATOM 0 HD3 LYS A 88 2.570 -2.220 -18.893 1.00 41.04 H new ATOM 0 HE2 LYS A 88 3.887 -0.361 -17.145 1.00 3.03 H new ATOM 0 HE3 LYS A 88 4.293 -1.976 -16.598 1.00 3.03 H new ATOM 0 HZ1 LYS A 88 5.850 -1.197 -18.263 1.00 65.43 H new ATOM 0 HZ2 LYS A 88 4.990 -2.536 -18.855 1.00 65.43 H new ATOM 0 HZ3 LYS A 88 4.597 -0.971 -19.385 1.00 65.43 H new ATOM 1356 N SER A 89 0.096 0.624 -13.565 1.00 41.45 N ATOM 1357 CA SER A 89 -0.174 0.475 -12.140 1.00 32.41 C ATOM 1358 C SER A 89 -1.667 0.602 -11.854 1.00 23.21 C ATOM 1359 O SER A 89 -2.206 -0.092 -10.992 1.00 23.01 O ATOM 1360 CB SER A 89 0.601 1.524 -11.341 1.00 42.43 C ATOM 1361 OG SER A 89 1.898 1.718 -11.878 1.00 55.44 O ATOM 0 H SER A 89 0.744 1.378 -13.795 1.00 41.45 H new ATOM 0 HA SER A 89 0.153 -0.519 -11.835 1.00 32.41 H new ATOM 0 HB2 SER A 89 0.056 2.468 -11.349 1.00 42.43 H new ATOM 0 HB3 SER A 89 0.678 1.209 -10.300 1.00 42.43 H new ATOM 0 HG SER A 89 2.269 2.560 -11.541 1.00 55.44 H new ATOM 1367 N PHE A 90 -2.330 1.492 -12.586 1.00 34.15 N ATOM 1368 CA PHE A 90 -3.761 1.709 -12.415 1.00 4.31 C ATOM 1369 C PHE A 90 -4.540 0.425 -12.683 1.00 24.21 C ATOM 1370 O PHE A 90 -5.536 0.141 -12.018 1.00 64.24 O ATOM 1371 CB PHE A 90 -4.243 2.821 -13.350 1.00 23.03 C ATOM 1372 CG PHE A 90 -5.725 3.067 -13.288 1.00 32.31 C ATOM 1373 CD1 PHE A 90 -6.395 3.051 -12.075 1.00 54.43 C ATOM 1374 CD2 PHE A 90 -6.447 3.315 -14.444 1.00 3.41 C ATOM 1375 CE1 PHE A 90 -7.757 3.276 -12.016 1.00 43.13 C ATOM 1376 CE2 PHE A 90 -7.809 3.541 -14.392 1.00 40.31 C ATOM 1377 CZ PHE A 90 -8.465 3.521 -13.177 1.00 72.54 C ATOM 0 H PHE A 90 -1.898 2.074 -13.303 1.00 34.15 H new ATOM 0 HA PHE A 90 -3.940 2.011 -11.383 1.00 4.31 H new ATOM 0 HB2 PHE A 90 -3.720 3.744 -13.101 1.00 23.03 H new ATOM 0 HB3 PHE A 90 -3.969 2.566 -14.374 1.00 23.03 H new ATOM 0 HD1 PHE A 90 -5.846 2.860 -11.165 1.00 54.43 H new ATOM 0 HD2 PHE A 90 -5.939 3.332 -15.397 1.00 3.41 H new ATOM 0 HE1 PHE A 90 -8.267 3.260 -11.064 1.00 43.13 H new ATOM 0 HE2 PHE A 90 -8.360 3.733 -15.301 1.00 40.31 H new ATOM 0 HZ PHE A 90 -9.530 3.697 -13.134 1.00 72.54 H new ATOM 1387 N GLU A 91 -4.078 -0.346 -13.662 1.00 70.44 N ATOM 1388 CA GLU A 91 -4.731 -1.600 -14.019 1.00 73.35 C ATOM 1389 C GLU A 91 -4.397 -2.696 -13.010 1.00 15.51 C ATOM 1390 O GLU A 91 -5.187 -3.614 -12.792 1.00 42.03 O ATOM 1391 CB GLU A 91 -4.308 -2.037 -15.423 1.00 14.43 C ATOM 1392 CG GLU A 91 -4.387 -0.923 -16.456 1.00 4.13 C ATOM 1393 CD GLU A 91 -5.257 -1.287 -17.643 1.00 31.44 C ATOM 1394 OE1 GLU A 91 -4.999 -2.336 -18.269 1.00 24.23 O ATOM 1395 OE2 GLU A 91 -6.197 -0.522 -17.947 1.00 32.31 O ATOM 0 H GLU A 91 -3.255 -0.125 -14.222 1.00 70.44 H new ATOM 0 HA GLU A 91 -5.809 -1.436 -14.005 1.00 73.35 H new ATOM 0 HB2 GLU A 91 -3.286 -2.414 -15.385 1.00 14.43 H new ATOM 0 HB3 GLU A 91 -4.941 -2.864 -15.743 1.00 14.43 H new ATOM 0 HG2 GLU A 91 -4.781 -0.023 -15.984 1.00 4.13 H new ATOM 0 HG3 GLU A 91 -3.382 -0.686 -16.806 1.00 4.13 H new ATOM 1402 N ASP A 92 -3.221 -2.593 -12.398 1.00 73.32 N ATOM 1403 CA ASP A 92 -2.784 -3.575 -11.412 1.00 24.14 C ATOM 1404 C ASP A 92 -3.594 -3.455 -10.125 1.00 11.10 C ATOM 1405 O ASP A 92 -3.847 -4.448 -9.444 1.00 24.02 O ATOM 1406 CB ASP A 92 -1.295 -3.399 -11.110 1.00 43.10 C ATOM 1407 CG ASP A 92 -0.431 -3.573 -12.344 1.00 64.31 C ATOM 1408 OD1 ASP A 92 -0.415 -4.689 -12.905 1.00 24.11 O ATOM 1409 OD2 ASP A 92 0.231 -2.594 -12.749 1.00 54.14 O ATOM 0 H ASP A 92 -2.554 -1.840 -12.568 1.00 73.32 H new ATOM 0 HA ASP A 92 -2.948 -4.568 -11.830 1.00 24.14 H new ATOM 0 HB2 ASP A 92 -1.127 -2.408 -10.689 1.00 43.10 H new ATOM 0 HB3 ASP A 92 -0.992 -4.122 -10.353 1.00 43.10 H new ATOM 1414 N ILE A 93 -4.002 -2.233 -9.798 1.00 71.15 N ATOM 1415 CA ILE A 93 -4.788 -1.991 -8.594 1.00 33.45 C ATOM 1416 C ILE A 93 -6.110 -2.752 -8.649 1.00 42.11 C ATOM 1417 O ILE A 93 -6.655 -3.143 -7.617 1.00 0.04 O ATOM 1418 CB ILE A 93 -5.067 -0.483 -8.398 1.00 72.34 C ATOM 1419 CG1 ILE A 93 -3.772 0.271 -8.111 1.00 44.11 C ATOM 1420 CG2 ILE A 93 -6.053 -0.253 -7.267 1.00 22.32 C ATOM 1421 CD1 ILE A 93 -2.943 -0.337 -6.999 1.00 43.23 C ATOM 0 H ILE A 93 -3.802 -1.398 -10.348 1.00 71.15 H new ATOM 0 HA ILE A 93 -4.203 -2.349 -7.747 1.00 33.45 H new ATOM 0 HB ILE A 93 -5.502 -0.105 -9.323 1.00 72.34 H new ATOM 0 HG12 ILE A 93 -3.173 0.305 -9.021 1.00 44.11 H new ATOM 0 HG13 ILE A 93 -4.013 1.301 -7.850 1.00 44.11 H new ATOM 0 HG21 ILE A 93 -6.231 0.816 -7.151 1.00 22.32 H new ATOM 0 HG22 ILE A 93 -6.993 -0.755 -7.496 1.00 22.32 H new ATOM 0 HG23 ILE A 93 -5.644 -0.655 -6.340 1.00 22.32 H new ATOM 0 HD11 ILE A 93 -2.039 0.254 -6.854 1.00 43.23 H new ATOM 0 HD12 ILE A 93 -3.523 -0.346 -6.076 1.00 43.23 H new ATOM 0 HD13 ILE A 93 -2.670 -1.358 -7.265 1.00 43.23 H new ATOM 1433 N HIS A 94 -6.617 -2.961 -9.859 1.00 65.55 N ATOM 1434 CA HIS A 94 -7.872 -3.677 -10.047 1.00 41.41 C ATOM 1435 C HIS A 94 -7.696 -5.161 -9.735 1.00 61.25 C ATOM 1436 O HIS A 94 -8.412 -5.720 -8.903 1.00 42.02 O ATOM 1437 CB HIS A 94 -8.375 -3.493 -11.484 1.00 51.21 C ATOM 1438 CG HIS A 94 -9.508 -4.403 -11.852 1.00 11.25 C ATOM 1439 ND1 HIS A 94 -10.811 -4.182 -11.458 1.00 42.33 N ATOM 1440 CD2 HIS A 94 -9.526 -5.542 -12.584 1.00 43.32 C ATOM 1441 CE1 HIS A 94 -11.581 -5.147 -11.930 1.00 5.42 C ATOM 1442 NE2 HIS A 94 -10.826 -5.983 -12.617 1.00 23.55 N ATOM 0 H HIS A 94 -6.178 -2.645 -10.724 1.00 65.55 H new ATOM 0 HA HIS A 94 -8.611 -3.266 -9.359 1.00 41.41 H new ATOM 0 HB2 HIS A 94 -8.694 -2.459 -11.617 1.00 51.21 H new ATOM 0 HB3 HIS A 94 -7.547 -3.662 -12.173 1.00 51.21 H new ATOM 0 HD1 HIS A 94 -11.131 -3.397 -10.891 1.00 42.33 H new ATOM 0 HD2 HIS A 94 -8.677 -6.015 -13.054 1.00 43.32 H new ATOM 0 HE1 HIS A 94 -12.647 -5.236 -11.779 1.00 5.42 H new ATOM 1451 N GLN A 95 -6.740 -5.793 -10.407 1.00 52.41 N ATOM 1452 CA GLN A 95 -6.470 -7.211 -10.201 1.00 34.12 C ATOM 1453 C GLN A 95 -5.927 -7.466 -8.798 1.00 23.05 C ATOM 1454 O GLN A 95 -6.121 -8.543 -8.234 1.00 24.44 O ATOM 1455 CB GLN A 95 -5.480 -7.724 -11.246 1.00 74.42 C ATOM 1456 CG GLN A 95 -4.154 -6.986 -11.243 1.00 21.31 C ATOM 1457 CD GLN A 95 -3.153 -7.589 -10.277 1.00 10.12 C ATOM 1458 OE1 GLN A 95 -3.301 -8.731 -9.843 1.00 62.35 O ATOM 1459 NE2 GLN A 95 -2.127 -6.820 -9.933 1.00 1.21 N ATOM 0 H GLN A 95 -6.139 -5.346 -11.099 1.00 52.41 H new ATOM 0 HA GLN A 95 -7.411 -7.751 -10.309 1.00 34.12 H new ATOM 0 HB2 GLN A 95 -5.296 -8.784 -11.070 1.00 74.42 H new ATOM 0 HB3 GLN A 95 -5.931 -7.638 -12.234 1.00 74.42 H new ATOM 0 HG2 GLN A 95 -3.734 -6.997 -12.249 1.00 21.31 H new ATOM 0 HG3 GLN A 95 -4.324 -5.942 -10.980 1.00 21.31 H new ATOM 0 HE21 GLN A 95 -2.044 -5.879 -10.317 1.00 1.21 H new ATOM 0 HE22 GLN A 95 -1.422 -7.170 -9.284 1.00 1.21 H new ATOM 1468 N TYR A 96 -5.246 -6.470 -8.239 1.00 12.11 N ATOM 1469 CA TYR A 96 -4.677 -6.590 -6.901 1.00 62.45 C ATOM 1470 C TYR A 96 -5.766 -6.877 -5.872 1.00 24.52 C ATOM 1471 O TYR A 96 -5.586 -7.700 -4.975 1.00 20.35 O ATOM 1472 CB TYR A 96 -3.926 -5.311 -6.526 1.00 70.32 C ATOM 1473 CG TYR A 96 -2.451 -5.358 -6.853 1.00 22.54 C ATOM 1474 CD1 TYR A 96 -1.663 -6.424 -6.440 1.00 3.03 C ATOM 1475 CD2 TYR A 96 -1.847 -4.337 -7.577 1.00 10.55 C ATOM 1476 CE1 TYR A 96 -0.314 -6.473 -6.737 1.00 4.40 C ATOM 1477 CE2 TYR A 96 -0.499 -4.379 -7.879 1.00 50.20 C ATOM 1478 CZ TYR A 96 0.263 -5.448 -7.457 1.00 30.01 C ATOM 1479 OH TYR A 96 1.605 -5.494 -7.756 1.00 4.11 O ATOM 0 H TYR A 96 -5.075 -5.572 -8.691 1.00 12.11 H new ATOM 0 HA TYR A 96 -3.976 -7.425 -6.904 1.00 62.45 H new ATOM 0 HB2 TYR A 96 -4.379 -4.468 -7.047 1.00 70.32 H new ATOM 0 HB3 TYR A 96 -4.047 -5.128 -5.458 1.00 70.32 H new ATOM 0 HD1 TYR A 96 -2.112 -7.229 -5.877 1.00 3.03 H new ATOM 0 HD2 TYR A 96 -2.440 -3.498 -7.909 1.00 10.55 H new ATOM 0 HE1 TYR A 96 0.285 -7.309 -6.407 1.00 4.40 H new ATOM 0 HE2 TYR A 96 -0.044 -3.578 -8.443 1.00 50.20 H new ATOM 0 HH TYR A 96 1.721 -5.647 -8.717 1.00 4.11 H new ATOM 1489 N ARG A 97 -6.898 -6.194 -6.010 1.00 24.21 N ATOM 1490 CA ARG A 97 -8.018 -6.373 -5.099 1.00 25.11 C ATOM 1491 C ARG A 97 -8.569 -7.793 -5.185 1.00 33.14 C ATOM 1492 O ARG A 97 -8.985 -8.371 -4.181 1.00 4.54 O ATOM 1493 CB ARG A 97 -9.114 -5.364 -5.427 1.00 24.34 C ATOM 1494 CG ARG A 97 -10.349 -5.500 -4.558 1.00 61.33 C ATOM 1495 CD ARG A 97 -11.561 -4.908 -5.246 1.00 22.31 C ATOM 1496 NE ARG A 97 -12.041 -5.757 -6.335 1.00 62.11 N ATOM 1497 CZ ARG A 97 -13.283 -5.724 -6.812 1.00 53.41 C ATOM 1498 NH1 ARG A 97 -14.180 -4.894 -6.294 1.00 10.34 N ATOM 1499 NH2 ARG A 97 -13.629 -6.524 -7.811 1.00 44.04 N ATOM 0 H ARG A 97 -7.062 -5.509 -6.748 1.00 24.21 H new ATOM 0 HA ARG A 97 -7.667 -6.207 -4.081 1.00 25.11 H new ATOM 0 HB2 ARG A 97 -8.713 -4.357 -5.317 1.00 24.34 H new ATOM 0 HB3 ARG A 97 -9.401 -5.480 -6.472 1.00 24.34 H new ATOM 0 HG2 ARG A 97 -10.529 -6.552 -4.337 1.00 61.33 H new ATOM 0 HG3 ARG A 97 -10.185 -4.997 -3.605 1.00 61.33 H new ATOM 0 HD2 ARG A 97 -12.359 -4.767 -4.517 1.00 22.31 H new ATOM 0 HD3 ARG A 97 -11.310 -3.922 -5.638 1.00 22.31 H new ATOM 0 HE ARG A 97 -11.384 -6.415 -6.755 1.00 62.11 H new ATOM 0 HH11 ARG A 97 -13.919 -4.276 -5.525 1.00 10.34 H new ATOM 0 HH12 ARG A 97 -15.130 -4.874 -6.665 1.00 10.34 H new ATOM 0 HH21 ARG A 97 -12.944 -7.164 -8.213 1.00 44.04 H new ATOM 0 HH22 ARG A 97 -14.581 -6.500 -8.178 1.00 44.04 H new ATOM 1513 N GLU A 98 -8.572 -8.349 -6.393 1.00 53.33 N ATOM 1514 CA GLU A 98 -9.075 -9.700 -6.613 1.00 22.11 C ATOM 1515 C GLU A 98 -8.330 -10.709 -5.745 1.00 73.40 C ATOM 1516 O GLU A 98 -8.933 -11.622 -5.181 1.00 21.34 O ATOM 1517 CB GLU A 98 -8.939 -10.082 -8.088 1.00 2.22 C ATOM 1518 CG GLU A 98 -9.755 -9.202 -9.021 1.00 73.34 C ATOM 1519 CD GLU A 98 -10.969 -9.916 -9.584 1.00 4.41 C ATOM 1520 OE1 GLU A 98 -11.746 -10.484 -8.787 1.00 50.13 O ATOM 1521 OE2 GLU A 98 -11.143 -9.906 -10.821 1.00 73.31 O ATOM 0 H GLU A 98 -8.231 -7.884 -7.235 1.00 53.33 H new ATOM 0 HA GLU A 98 -10.129 -9.717 -6.334 1.00 22.11 H new ATOM 0 HB2 GLU A 98 -7.889 -10.025 -8.374 1.00 2.22 H new ATOM 0 HB3 GLU A 98 -9.249 -11.119 -8.216 1.00 2.22 H new ATOM 0 HG2 GLU A 98 -10.079 -8.311 -8.483 1.00 73.34 H new ATOM 0 HG3 GLU A 98 -9.123 -8.866 -9.843 1.00 73.34 H new ATOM 1528 N GLN A 99 -7.016 -10.539 -5.642 1.00 45.01 N ATOM 1529 CA GLN A 99 -6.190 -11.436 -4.842 1.00 73.51 C ATOM 1530 C GLN A 99 -6.619 -11.410 -3.378 1.00 34.10 C ATOM 1531 O GLN A 99 -6.613 -12.438 -2.701 1.00 64.51 O ATOM 1532 CB GLN A 99 -4.714 -11.049 -4.966 1.00 53.40 C ATOM 1533 CG GLN A 99 -3.864 -12.108 -5.648 1.00 35.15 C ATOM 1534 CD GLN A 99 -3.165 -13.020 -4.659 1.00 64.35 C ATOM 1535 OE1 GLN A 99 -1.951 -13.441 -4.997 1.00 21.15 O flip ATOM 1536 NE2 GLN A 99 -3.708 -13.342 -3.603 1.00 74.41 N flip ATOM 0 H GLN A 99 -6.500 -9.789 -6.102 1.00 45.01 H new ATOM 0 HA GLN A 99 -6.324 -12.450 -5.220 1.00 73.51 H new ATOM 0 HB2 GLN A 99 -4.637 -10.117 -5.526 1.00 53.40 H new ATOM 0 HB3 GLN A 99 -4.312 -10.857 -3.971 1.00 53.40 H new ATOM 0 HG2 GLN A 99 -4.494 -12.706 -6.306 1.00 35.15 H new ATOM 0 HG3 GLN A 99 -3.119 -11.621 -6.277 1.00 35.15 H new ATOM 0 HE21 GLN A 99 -4.642 -12.995 -3.383 1.00 74.41 H new ATOM 0 HE22 GLN A 99 -3.224 -13.956 -2.947 1.00 74.41 H new ATOM 1545 N ILE A 100 -6.991 -10.228 -2.895 1.00 70.42 N ATOM 1546 CA ILE A 100 -7.423 -10.069 -1.511 1.00 11.12 C ATOM 1547 C ILE A 100 -8.778 -10.732 -1.279 1.00 13.41 C ATOM 1548 O ILE A 100 -8.949 -11.500 -0.334 1.00 32.54 O ATOM 1549 CB ILE A 100 -7.509 -8.580 -1.118 1.00 71.03 C ATOM 1550 CG1 ILE A 100 -6.159 -7.896 -1.340 1.00 63.32 C ATOM 1551 CG2 ILE A 100 -7.953 -8.431 0.332 1.00 63.44 C ATOM 1552 CD1 ILE A 100 -6.246 -6.387 -1.395 1.00 54.33 C ATOM 0 H ILE A 100 -7.002 -9.367 -3.442 1.00 70.42 H new ATOM 0 HA ILE A 100 -6.675 -10.556 -0.885 1.00 11.12 H new ATOM 0 HB ILE A 100 -8.252 -8.097 -1.752 1.00 71.03 H new ATOM 0 HG12 ILE A 100 -5.479 -8.183 -0.538 1.00 63.32 H new ATOM 0 HG13 ILE A 100 -5.725 -8.261 -2.271 1.00 63.32 H new ATOM 0 HG21 ILE A 100 -8.007 -7.373 0.589 1.00 63.44 H new ATOM 0 HG22 ILE A 100 -8.935 -8.886 0.460 1.00 63.44 H new ATOM 0 HG23 ILE A 100 -7.235 -8.927 0.985 1.00 63.44 H new ATOM 0 HD11 ILE A 100 -5.251 -5.971 -1.555 1.00 54.33 H new ATOM 0 HD12 ILE A 100 -6.900 -6.090 -2.215 1.00 54.33 H new ATOM 0 HD13 ILE A 100 -6.650 -6.011 -0.455 1.00 54.33 H new ATOM 1564 N LYS A 101 -9.738 -10.429 -2.148 1.00 22.42 N ATOM 1565 CA LYS A 101 -11.078 -10.998 -2.033 1.00 12.11 C ATOM 1566 C LYS A 101 -11.020 -12.522 -1.967 1.00 75.10 C ATOM 1567 O LYS A 101 -11.813 -13.153 -1.267 1.00 11.41 O ATOM 1568 CB LYS A 101 -11.946 -10.555 -3.213 1.00 64.21 C ATOM 1569 CG LYS A 101 -13.265 -9.927 -2.793 1.00 0.12 C ATOM 1570 CD LYS A 101 -13.996 -9.316 -3.979 1.00 33.43 C ATOM 1571 CE LYS A 101 -13.173 -8.220 -4.637 1.00 2.24 C ATOM 1572 NZ LYS A 101 -12.466 -8.710 -5.852 1.00 72.42 N ATOM 0 H LYS A 101 -9.614 -9.795 -2.937 1.00 22.42 H new ATOM 0 HA LYS A 101 -11.523 -10.632 -1.108 1.00 12.11 H new ATOM 0 HB2 LYS A 101 -11.388 -9.839 -3.816 1.00 64.21 H new ATOM 0 HB3 LYS A 101 -12.149 -11.417 -3.848 1.00 64.21 H new ATOM 0 HG2 LYS A 101 -13.896 -10.683 -2.326 1.00 0.12 H new ATOM 0 HG3 LYS A 101 -13.080 -9.158 -2.043 1.00 0.12 H new ATOM 0 HD2 LYS A 101 -14.219 -10.093 -4.710 1.00 33.43 H new ATOM 0 HD3 LYS A 101 -14.950 -8.907 -3.648 1.00 33.43 H new ATOM 0 HE2 LYS A 101 -13.825 -7.389 -4.907 1.00 2.24 H new ATOM 0 HE3 LYS A 101 -12.444 -7.835 -3.923 1.00 2.24 H new ATOM 0 HZ1 LYS A 101 -11.599 -8.154 -5.997 1.00 72.42 H new ATOM 0 HZ2 LYS A 101 -12.218 -9.713 -5.729 1.00 72.42 H new ATOM 0 HZ3 LYS A 101 -13.086 -8.606 -6.680 1.00 72.42 H new ATOM 1586 N ARG A 102 -10.075 -13.106 -2.697 1.00 52.12 N ATOM 1587 CA ARG A 102 -9.912 -14.553 -2.718 1.00 31.52 C ATOM 1588 C ARG A 102 -9.434 -15.065 -1.364 1.00 30.32 C ATOM 1589 O ARG A 102 -10.089 -15.898 -0.737 1.00 41.30 O ATOM 1590 CB ARG A 102 -8.924 -14.958 -3.814 1.00 20.53 C ATOM 1591 CG ARG A 102 -9.455 -16.042 -4.737 1.00 44.35 C ATOM 1592 CD ARG A 102 -8.635 -16.142 -6.013 1.00 64.32 C ATOM 1593 NE ARG A 102 -8.394 -17.530 -6.402 1.00 13.32 N ATOM 1594 CZ ARG A 102 -7.715 -17.888 -7.489 1.00 44.40 C ATOM 1595 NH1 ARG A 102 -7.208 -16.966 -8.298 1.00 34.11 N ATOM 1596 NH2 ARG A 102 -7.542 -19.173 -7.769 1.00 4.13 N ATOM 0 H ARG A 102 -9.411 -12.598 -3.281 1.00 52.12 H new ATOM 0 HA ARG A 102 -10.882 -15.003 -2.931 1.00 31.52 H new ATOM 0 HB2 ARG A 102 -8.670 -14.079 -4.407 1.00 20.53 H new ATOM 0 HB3 ARG A 102 -8.001 -15.307 -3.350 1.00 20.53 H new ATOM 0 HG2 ARG A 102 -9.441 -17.001 -4.219 1.00 44.35 H new ATOM 0 HG3 ARG A 102 -10.494 -15.830 -4.988 1.00 44.35 H new ATOM 0 HD2 ARG A 102 -9.155 -15.625 -6.819 1.00 64.32 H new ATOM 0 HD3 ARG A 102 -7.681 -15.634 -5.871 1.00 64.32 H new ATOM 0 HE ARG A 102 -8.768 -18.268 -5.805 1.00 13.32 H new ATOM 0 HH11 ARG A 102 -7.338 -15.976 -8.088 1.00 34.11 H new ATOM 0 HH12 ARG A 102 -6.689 -17.247 -9.130 1.00 34.11 H new ATOM 0 HH21 ARG A 102 -7.929 -19.886 -7.151 1.00 4.13 H new ATOM 0 HH22 ARG A 102 -7.022 -19.448 -8.602 1.00 4.13 H new ATOM 1610 N VAL A 103 -8.289 -14.559 -0.915 1.00 12.33 N ATOM 1611 CA VAL A 103 -7.725 -14.962 0.365 1.00 42.54 C ATOM 1612 C VAL A 103 -8.703 -14.690 1.504 1.00 33.12 C ATOM 1613 O VAL A 103 -9.103 -15.604 2.224 1.00 44.34 O ATOM 1614 CB VAL A 103 -6.401 -14.224 0.647 1.00 72.53 C ATOM 1615 CG1 VAL A 103 -5.793 -14.689 1.962 1.00 50.14 C ATOM 1616 CG2 VAL A 103 -5.423 -14.425 -0.502 1.00 53.53 C ATOM 0 H VAL A 103 -7.735 -13.868 -1.421 1.00 12.33 H new ATOM 0 HA VAL A 103 -7.530 -16.033 0.308 1.00 42.54 H new ATOM 0 HB VAL A 103 -6.614 -13.158 0.732 1.00 72.53 H new ATOM 0 HG11 VAL A 103 -4.860 -14.155 2.140 1.00 50.14 H new ATOM 0 HG12 VAL A 103 -6.489 -14.486 2.776 1.00 50.14 H new ATOM 0 HG13 VAL A 103 -5.595 -15.760 1.913 1.00 50.14 H new ATOM 0 HG21 VAL A 103 -4.494 -13.897 -0.286 1.00 53.53 H new ATOM 0 HG22 VAL A 103 -5.216 -15.488 -0.622 1.00 53.53 H new ATOM 0 HG23 VAL A 103 -5.857 -14.033 -1.422 1.00 53.53 H new ATOM 1626 N LYS A 104 -9.084 -13.426 1.660 1.00 71.42 N ATOM 1627 CA LYS A 104 -10.016 -13.033 2.710 1.00 24.40 C ATOM 1628 C LYS A 104 -11.365 -13.724 2.527 1.00 64.52 C ATOM 1629 O LYS A 104 -12.108 -13.917 3.490 1.00 21.52 O ATOM 1630 CB LYS A 104 -10.209 -11.513 2.715 1.00 63.42 C ATOM 1631 CG LYS A 104 -8.908 -10.723 2.673 1.00 55.13 C ATOM 1632 CD LYS A 104 -7.980 -11.106 3.815 1.00 63.42 C ATOM 1633 CE LYS A 104 -8.045 -10.095 4.949 1.00 34.15 C ATOM 1634 NZ LYS A 104 -8.765 -10.637 6.134 1.00 2.13 N ATOM 0 H LYS A 104 -8.762 -12.657 1.073 1.00 71.42 H new ATOM 0 HA LYS A 104 -9.593 -13.341 3.666 1.00 24.40 H new ATOM 0 HB2 LYS A 104 -10.820 -11.232 1.858 1.00 63.42 H new ATOM 0 HB3 LYS A 104 -10.765 -11.231 3.609 1.00 63.42 H new ATOM 0 HG2 LYS A 104 -8.406 -10.899 1.722 1.00 55.13 H new ATOM 0 HG3 LYS A 104 -9.128 -9.657 2.725 1.00 55.13 H new ATOM 0 HD2 LYS A 104 -8.251 -12.093 4.190 1.00 63.42 H new ATOM 0 HD3 LYS A 104 -6.957 -11.175 3.446 1.00 63.42 H new ATOM 0 HE2 LYS A 104 -7.034 -9.808 5.238 1.00 34.15 H new ATOM 0 HE3 LYS A 104 -8.546 -9.191 4.602 1.00 34.15 H new ATOM 0 HZ1 LYS A 104 -8.788 -9.918 6.885 1.00 2.13 H new ATOM 0 HZ2 LYS A 104 -9.738 -10.887 5.865 1.00 2.13 H new ATOM 0 HZ3 LYS A 104 -8.273 -11.485 6.481 1.00 2.13 H new ATOM 1648 N ASP A 105 -11.677 -14.092 1.288 1.00 3.31 N ATOM 1649 CA ASP A 105 -12.939 -14.759 0.984 1.00 63.42 C ATOM 1650 C ASP A 105 -14.122 -13.844 1.286 1.00 61.32 C ATOM 1651 O ASP A 105 -15.121 -14.273 1.863 1.00 54.04 O ATOM 1652 CB ASP A 105 -13.061 -16.057 1.785 1.00 25.42 C ATOM 1653 CG ASP A 105 -14.299 -16.851 1.416 1.00 11.42 C ATOM 1654 OD1 ASP A 105 -14.312 -17.455 0.323 1.00 61.05 O ATOM 1655 OD2 ASP A 105 -15.255 -16.868 2.219 1.00 44.33 O ATOM 0 H ASP A 105 -11.074 -13.940 0.479 1.00 3.31 H new ATOM 0 HA ASP A 105 -12.950 -14.997 -0.080 1.00 63.42 H new ATOM 0 HB2 ASP A 105 -12.176 -16.670 1.615 1.00 25.42 H new ATOM 0 HB3 ASP A 105 -13.087 -15.823 2.849 1.00 25.42 H new ATOM 1660 N SER A 106 -14.000 -12.581 0.893 1.00 72.31 N ATOM 1661 CA SER A 106 -15.058 -11.603 1.121 1.00 11.13 C ATOM 1662 C SER A 106 -14.725 -10.275 0.453 1.00 42.11 C ATOM 1663 O SER A 106 -13.557 -9.950 0.239 1.00 61.54 O ATOM 1664 CB SER A 106 -15.270 -11.393 2.622 1.00 43.35 C ATOM 1665 OG SER A 106 -16.276 -12.257 3.121 1.00 20.20 O ATOM 0 H SER A 106 -13.179 -12.210 0.415 1.00 72.31 H new ATOM 0 HA SER A 106 -15.977 -11.989 0.680 1.00 11.13 H new ATOM 0 HB2 SER A 106 -14.335 -11.573 3.153 1.00 43.35 H new ATOM 0 HB3 SER A 106 -15.550 -10.357 2.811 1.00 43.35 H new ATOM 0 HG SER A 106 -16.123 -13.165 2.786 1.00 20.20 H new ATOM 1671 N ASP A 107 -15.761 -9.513 0.127 1.00 50.14 N ATOM 1672 CA ASP A 107 -15.586 -8.219 -0.517 1.00 10.24 C ATOM 1673 C ASP A 107 -15.264 -7.142 0.513 1.00 22.31 C ATOM 1674 O ASP A 107 -14.503 -6.214 0.240 1.00 12.52 O ATOM 1675 CB ASP A 107 -16.846 -7.842 -1.296 1.00 33.35 C ATOM 1676 CG ASP A 107 -16.678 -6.558 -2.084 1.00 54.14 C ATOM 1677 OD1 ASP A 107 -16.682 -5.475 -1.462 1.00 1.15 O ATOM 1678 OD2 ASP A 107 -16.540 -6.635 -3.323 1.00 31.14 O ATOM 0 H ASP A 107 -16.733 -9.770 0.299 1.00 50.14 H new ATOM 0 HA ASP A 107 -14.749 -8.292 -1.211 1.00 10.24 H new ATOM 0 HB2 ASP A 107 -17.104 -8.652 -1.978 1.00 33.35 H new ATOM 0 HB3 ASP A 107 -17.679 -7.732 -0.602 1.00 33.35 H new ATOM 1683 N ASP A 108 -15.848 -7.274 1.700 1.00 0.51 N ATOM 1684 CA ASP A 108 -15.620 -6.314 2.773 1.00 32.02 C ATOM 1685 C ASP A 108 -14.245 -6.522 3.400 1.00 52.14 C ATOM 1686 O ASP A 108 -14.064 -7.396 4.249 1.00 60.31 O ATOM 1687 CB ASP A 108 -16.707 -6.444 3.842 1.00 44.52 C ATOM 1688 CG ASP A 108 -18.075 -6.042 3.326 1.00 11.55 C ATOM 1689 OD1 ASP A 108 -18.157 -5.056 2.564 1.00 4.41 O ATOM 1690 OD2 ASP A 108 -19.065 -6.715 3.684 1.00 4.04 O ATOM 0 H ASP A 108 -16.482 -8.036 1.942 1.00 0.51 H new ATOM 0 HA ASP A 108 -15.659 -5.311 2.347 1.00 32.02 H new ATOM 0 HB2 ASP A 108 -16.743 -7.474 4.196 1.00 44.52 H new ATOM 0 HB3 ASP A 108 -16.447 -5.822 4.698 1.00 44.52 H new ATOM 1695 N VAL A 109 -13.279 -5.714 2.977 1.00 63.15 N ATOM 1696 CA VAL A 109 -11.924 -5.806 3.495 1.00 11.02 C ATOM 1697 C VAL A 109 -11.328 -4.417 3.710 1.00 71.35 C ATOM 1698 O VAL A 109 -11.479 -3.529 2.871 1.00 52.45 O ATOM 1699 CB VAL A 109 -11.011 -6.612 2.548 1.00 62.21 C ATOM 1700 CG1 VAL A 109 -9.601 -6.718 3.112 1.00 4.21 C ATOM 1701 CG2 VAL A 109 -11.595 -7.994 2.301 1.00 60.25 C ATOM 0 H VAL A 109 -13.413 -4.987 2.274 1.00 63.15 H new ATOM 0 HA VAL A 109 -11.982 -6.326 4.451 1.00 11.02 H new ATOM 0 HB VAL A 109 -10.953 -6.084 1.596 1.00 62.21 H new ATOM 0 HG11 VAL A 109 -8.977 -7.291 2.426 1.00 4.21 H new ATOM 0 HG12 VAL A 109 -9.182 -5.719 3.235 1.00 4.21 H new ATOM 0 HG13 VAL A 109 -9.633 -7.220 4.079 1.00 4.21 H new ATOM 0 HG21 VAL A 109 -10.940 -8.551 1.631 1.00 60.25 H new ATOM 0 HG22 VAL A 109 -11.683 -8.526 3.248 1.00 60.25 H new ATOM 0 HG23 VAL A 109 -12.581 -7.896 1.846 1.00 60.25 H new ATOM 1711 N PRO A 110 -10.640 -4.215 4.844 1.00 11.11 N ATOM 1712 CA PRO A 110 -10.017 -2.931 5.176 1.00 42.43 C ATOM 1713 C PRO A 110 -8.793 -2.647 4.314 1.00 11.32 C ATOM 1714 O PRO A 110 -7.711 -3.180 4.559 1.00 54.43 O ATOM 1715 CB PRO A 110 -9.612 -3.102 6.641 1.00 14.23 C ATOM 1716 CG PRO A 110 -9.430 -4.570 6.814 1.00 20.34 C ATOM 1717 CD PRO A 110 -10.418 -5.227 5.889 1.00 31.21 C ATOM 0 HA PRO A 110 -10.690 -2.091 5.003 1.00 42.43 H new ATOM 0 HB2 PRO A 110 -8.693 -2.560 6.864 1.00 14.23 H new ATOM 0 HB3 PRO A 110 -10.380 -2.716 7.312 1.00 14.23 H new ATOM 0 HG2 PRO A 110 -8.410 -4.867 6.569 1.00 20.34 H new ATOM 0 HG3 PRO A 110 -9.609 -4.865 7.848 1.00 20.34 H new ATOM 0 HD2 PRO A 110 -10.022 -6.153 5.472 1.00 31.21 H new ATOM 0 HD3 PRO A 110 -11.344 -5.480 6.406 1.00 31.21 H new ATOM 1725 N MET A 111 -8.971 -1.804 3.303 1.00 75.43 N ATOM 1726 CA MET A 111 -7.880 -1.451 2.404 1.00 40.40 C ATOM 1727 C MET A 111 -7.997 -0.002 1.946 1.00 12.50 C ATOM 1728 O MET A 111 -9.019 0.649 2.164 1.00 62.21 O ATOM 1729 CB MET A 111 -7.873 -2.381 1.189 1.00 24.11 C ATOM 1730 CG MET A 111 -9.140 -2.298 0.354 1.00 54.35 C ATOM 1731 SD MET A 111 -8.929 -2.989 -1.296 1.00 55.01 S ATOM 1732 CE MET A 111 -8.964 -4.739 -0.927 1.00 45.53 C ATOM 0 H MET A 111 -9.860 -1.353 3.086 1.00 75.43 H new ATOM 0 HA MET A 111 -6.943 -1.566 2.949 1.00 40.40 H new ATOM 0 HB2 MET A 111 -7.017 -2.138 0.560 1.00 24.11 H new ATOM 0 HB3 MET A 111 -7.738 -3.408 1.528 1.00 24.11 H new ATOM 0 HG2 MET A 111 -9.943 -2.828 0.866 1.00 54.35 H new ATOM 0 HG3 MET A 111 -9.448 -1.256 0.271 1.00 54.35 H new ATOM 0 HE1 MET A 111 -8.774 -5.307 -1.838 1.00 45.53 H new ATOM 0 HE2 MET A 111 -8.197 -4.971 -0.188 1.00 45.53 H new ATOM 0 HE3 MET A 111 -9.943 -5.008 -0.530 1.00 45.53 H new ATOM 1742 N VAL A 112 -6.941 0.497 1.315 1.00 10.13 N ATOM 1743 CA VAL A 112 -6.918 1.867 0.829 1.00 74.22 C ATOM 1744 C VAL A 112 -6.133 1.973 -0.475 1.00 45.42 C ATOM 1745 O VAL A 112 -5.153 1.258 -0.683 1.00 75.05 O ATOM 1746 CB VAL A 112 -6.298 2.810 1.874 1.00 14.14 C ATOM 1747 CG1 VAL A 112 -6.339 4.250 1.389 1.00 13.54 C ATOM 1748 CG2 VAL A 112 -7.017 2.664 3.204 1.00 25.34 C ATOM 0 H VAL A 112 -6.088 -0.030 1.129 1.00 10.13 H new ATOM 0 HA VAL A 112 -7.951 2.164 0.647 1.00 74.22 H new ATOM 0 HB VAL A 112 -5.253 2.535 2.016 1.00 14.14 H new ATOM 0 HG11 VAL A 112 -5.896 4.901 2.143 1.00 13.54 H new ATOM 0 HG12 VAL A 112 -5.777 4.337 0.459 1.00 13.54 H new ATOM 0 HG13 VAL A 112 -7.374 4.547 1.217 1.00 13.54 H new ATOM 0 HG21 VAL A 112 -6.569 3.337 3.936 1.00 25.34 H new ATOM 0 HG22 VAL A 112 -8.070 2.915 3.078 1.00 25.34 H new ATOM 0 HG23 VAL A 112 -6.928 1.636 3.555 1.00 25.34 H new ATOM 1758 N LEU A 113 -6.573 2.871 -1.350 1.00 54.55 N ATOM 1759 CA LEU A 113 -5.913 3.073 -2.634 1.00 4.05 C ATOM 1760 C LEU A 113 -5.177 4.408 -2.664 1.00 52.40 C ATOM 1761 O LEU A 113 -5.798 5.470 -2.728 1.00 30.44 O ATOM 1762 CB LEU A 113 -6.936 3.014 -3.772 1.00 62.45 C ATOM 1763 CG LEU A 113 -6.374 3.283 -5.171 1.00 25.02 C ATOM 1764 CD1 LEU A 113 -5.038 2.580 -5.359 1.00 34.22 C ATOM 1765 CD2 LEU A 113 -7.365 2.837 -6.236 1.00 34.02 C ATOM 0 H LEU A 113 -7.383 3.470 -1.193 1.00 54.55 H new ATOM 0 HA LEU A 113 -5.183 2.274 -2.769 1.00 4.05 H new ATOM 0 HB2 LEU A 113 -7.402 2.029 -3.769 1.00 62.45 H new ATOM 0 HB3 LEU A 113 -7.723 3.740 -3.569 1.00 62.45 H new ATOM 0 HG LEU A 113 -6.213 4.356 -5.275 1.00 25.02 H new ATOM 0 HD11 LEU A 113 -4.657 2.785 -6.359 1.00 34.22 H new ATOM 0 HD12 LEU A 113 -4.327 2.946 -4.618 1.00 34.22 H new ATOM 0 HD13 LEU A 113 -5.172 1.505 -5.234 1.00 34.22 H new ATOM 0 HD21 LEU A 113 -6.951 3.035 -7.224 1.00 34.02 H new ATOM 0 HD22 LEU A 113 -7.557 1.769 -6.130 1.00 34.02 H new ATOM 0 HD23 LEU A 113 -8.299 3.387 -6.117 1.00 34.02 H new ATOM 1777 N VAL A 114 -3.851 4.347 -2.617 1.00 12.42 N ATOM 1778 CA VAL A 114 -3.029 5.551 -2.637 1.00 31.52 C ATOM 1779 C VAL A 114 -2.461 5.807 -4.028 1.00 64.00 C ATOM 1780 O VAL A 114 -2.228 4.874 -4.797 1.00 51.34 O ATOM 1781 CB VAL A 114 -1.866 5.452 -1.632 1.00 42.40 C ATOM 1782 CG1 VAL A 114 -1.140 6.783 -1.520 1.00 5.11 C ATOM 1783 CG2 VAL A 114 -2.374 4.997 -0.272 1.00 14.14 C ATOM 0 H VAL A 114 -3.322 3.476 -2.565 1.00 12.42 H new ATOM 0 HA VAL A 114 -3.677 6.381 -2.354 1.00 31.52 H new ATOM 0 HB VAL A 114 -1.157 4.709 -1.997 1.00 42.40 H new ATOM 0 HG11 VAL A 114 -0.322 6.692 -0.805 1.00 5.11 H new ATOM 0 HG12 VAL A 114 -0.741 7.063 -2.495 1.00 5.11 H new ATOM 0 HG13 VAL A 114 -1.836 7.550 -1.179 1.00 5.11 H new ATOM 0 HG21 VAL A 114 -1.539 4.933 0.425 1.00 14.14 H new ATOM 0 HG22 VAL A 114 -3.105 5.714 0.102 1.00 14.14 H new ATOM 0 HG23 VAL A 114 -2.843 4.018 -0.368 1.00 14.14 H new ATOM 1793 N GLY A 115 -2.238 7.079 -4.345 1.00 71.53 N ATOM 1794 CA GLY A 115 -1.698 7.437 -5.643 1.00 73.23 C ATOM 1795 C GLY A 115 -0.310 8.039 -5.546 1.00 24.31 C ATOM 1796 O GLY A 115 -0.158 9.219 -5.229 1.00 11.40 O ATOM 0 H GLY A 115 -2.422 7.868 -3.725 1.00 71.53 H new ATOM 0 HA2 GLY A 115 -1.663 6.550 -6.276 1.00 73.23 H new ATOM 0 HA3 GLY A 115 -2.366 8.148 -6.128 1.00 73.23 H new ATOM 1800 N ASN A 116 0.706 7.226 -5.817 1.00 74.00 N ATOM 1801 CA ASN A 116 2.089 7.684 -5.757 1.00 24.24 C ATOM 1802 C ASN A 116 2.439 8.520 -6.984 1.00 64.41 C ATOM 1803 O ASN A 116 1.686 8.561 -7.956 1.00 34.31 O ATOM 1804 CB ASN A 116 3.039 6.491 -5.651 1.00 62.43 C ATOM 1805 CG ASN A 116 4.308 6.828 -4.893 1.00 1.03 C ATOM 1806 OD1 ASN A 116 4.561 7.988 -4.568 1.00 11.52 O ATOM 1807 ND2 ASN A 116 5.114 5.812 -4.607 1.00 54.45 N ATOM 0 H ASN A 116 0.597 6.247 -6.080 1.00 74.00 H new ATOM 0 HA ASN A 116 2.201 8.308 -4.870 1.00 24.24 H new ATOM 0 HB2 ASN A 116 2.529 5.667 -5.152 1.00 62.43 H new ATOM 0 HB3 ASN A 116 3.298 6.146 -6.652 1.00 62.43 H new ATOM 0 HD21 ASN A 116 5.982 5.978 -4.098 1.00 54.45 H new ATOM 0 HD22 ASN A 116 4.865 4.866 -4.896 1.00 54.45 H new ATOM 1814 N LYS A 117 3.589 9.185 -6.931 1.00 12.54 N ATOM 1815 CA LYS A 117 4.042 10.020 -8.037 1.00 1.15 C ATOM 1816 C LYS A 117 3.048 11.143 -8.316 1.00 25.03 C ATOM 1817 O LYS A 117 2.432 11.193 -9.381 1.00 63.40 O ATOM 1818 CB LYS A 117 4.243 9.172 -9.294 1.00 11.45 C ATOM 1819 CG LYS A 117 5.516 8.341 -9.271 1.00 0.52 C ATOM 1820 CD LYS A 117 5.640 7.478 -10.516 1.00 53.13 C ATOM 1821 CE LYS A 117 7.089 7.338 -10.957 1.00 20.01 C ATOM 1822 NZ LYS A 117 7.625 5.977 -10.676 1.00 32.45 N ATOM 0 H LYS A 117 4.224 9.161 -6.133 1.00 12.54 H new ATOM 0 HA LYS A 117 4.995 10.468 -7.755 1.00 1.15 H new ATOM 0 HB2 LYS A 117 3.387 8.507 -9.414 1.00 11.45 H new ATOM 0 HB3 LYS A 117 4.263 9.827 -10.165 1.00 11.45 H new ATOM 0 HG2 LYS A 117 6.381 9.000 -9.196 1.00 0.52 H new ATOM 0 HG3 LYS A 117 5.522 7.706 -8.385 1.00 0.52 H new ATOM 0 HD2 LYS A 117 5.222 6.491 -10.318 1.00 53.13 H new ATOM 0 HD3 LYS A 117 5.054 7.917 -11.324 1.00 53.13 H new ATOM 0 HE2 LYS A 117 7.165 7.545 -12.024 1.00 20.01 H new ATOM 0 HE3 LYS A 117 7.698 8.082 -10.443 1.00 20.01 H new ATOM 0 HZ1 LYS A 117 8.615 5.922 -10.991 1.00 32.45 H new ATOM 0 HZ2 LYS A 117 7.576 5.789 -9.654 1.00 32.45 H new ATOM 0 HZ3 LYS A 117 7.059 5.269 -11.186 1.00 32.45 H new ATOM 1836 N CYS A 118 2.898 12.045 -7.352 1.00 13.31 N ATOM 1837 CA CYS A 118 1.981 13.171 -7.492 1.00 2.35 C ATOM 1838 C CYS A 118 2.732 14.453 -7.849 1.00 43.30 C ATOM 1839 O CYS A 118 2.126 15.437 -8.276 1.00 3.33 O ATOM 1840 CB CYS A 118 1.191 13.373 -6.198 1.00 62.42 C ATOM 1841 SG CYS A 118 -0.379 14.242 -6.420 1.00 34.15 S ATOM 0 H CYS A 118 3.400 12.018 -6.464 1.00 13.31 H new ATOM 0 HA CYS A 118 1.290 12.943 -8.303 1.00 2.35 H new ATOM 0 HB2 CYS A 118 0.995 12.399 -5.749 1.00 62.42 H new ATOM 0 HB3 CYS A 118 1.806 13.931 -5.493 1.00 62.42 H new ATOM 0 HG CYS A 118 -0.227 15.199 -7.287 1.00 34.15 H new ATOM 1847 N ASP A 119 4.051 14.439 -7.672 1.00 34.53 N ATOM 1848 CA ASP A 119 4.876 15.602 -7.976 1.00 24.43 C ATOM 1849 C ASP A 119 5.338 15.584 -9.431 1.00 71.11 C ATOM 1850 O ASP A 119 5.620 16.630 -10.014 1.00 12.25 O ATOM 1851 CB ASP A 119 6.088 15.649 -7.044 1.00 71.45 C ATOM 1852 CG ASP A 119 6.955 16.871 -7.279 1.00 11.22 C ATOM 1853 OD1 ASP A 119 6.478 17.996 -7.021 1.00 12.42 O ATOM 1854 OD2 ASP A 119 8.110 16.702 -7.723 1.00 50.15 O ATOM 0 H ASP A 119 4.570 13.635 -7.320 1.00 34.53 H new ATOM 0 HA ASP A 119 4.270 16.494 -7.821 1.00 24.43 H new ATOM 0 HB2 ASP A 119 5.747 15.644 -6.009 1.00 71.45 H new ATOM 0 HB3 ASP A 119 6.687 14.750 -7.187 1.00 71.45 H new ATOM 1859 N LEU A 120 5.418 14.389 -10.012 1.00 24.30 N ATOM 1860 CA LEU A 120 5.849 14.238 -11.399 1.00 44.14 C ATOM 1861 C LEU A 120 5.027 15.126 -12.329 1.00 44.41 C ATOM 1862 O LEU A 120 3.865 15.423 -12.054 1.00 50.21 O ATOM 1863 CB LEU A 120 5.732 12.777 -11.836 1.00 43.42 C ATOM 1864 CG LEU A 120 6.852 11.860 -11.341 1.00 32.31 C ATOM 1865 CD1 LEU A 120 6.687 10.460 -11.913 1.00 44.43 C ATOM 1866 CD2 LEU A 120 8.212 12.432 -11.712 1.00 44.51 C ATOM 0 H LEU A 120 5.190 13.512 -9.544 1.00 24.30 H new ATOM 0 HA LEU A 120 6.892 14.547 -11.462 1.00 44.14 H new ATOM 0 HB2 LEU A 120 4.779 12.384 -11.483 1.00 43.42 H new ATOM 0 HB3 LEU A 120 5.708 12.740 -12.925 1.00 43.42 H new ATOM 0 HG LEU A 120 6.791 11.796 -10.255 1.00 32.31 H new ATOM 0 HD11 LEU A 120 7.492 9.821 -11.550 1.00 44.43 H new ATOM 0 HD12 LEU A 120 5.728 10.049 -11.598 1.00 44.43 H new ATOM 0 HD13 LEU A 120 6.722 10.505 -13.001 1.00 44.43 H new ATOM 0 HD21 LEU A 120 8.997 11.767 -11.352 1.00 44.51 H new ATOM 0 HD22 LEU A 120 8.284 12.525 -12.796 1.00 44.51 H new ATOM 0 HD23 LEU A 120 8.331 13.414 -11.254 1.00 44.51 H new ATOM 1878 N ALA A 121 5.640 15.548 -13.431 1.00 62.30 N ATOM 1879 CA ALA A 121 4.967 16.403 -14.401 1.00 24.13 C ATOM 1880 C ALA A 121 4.467 15.595 -15.593 1.00 64.35 C ATOM 1881 O ALA A 121 4.402 16.099 -16.714 1.00 44.33 O ATOM 1882 CB ALA A 121 5.901 17.510 -14.866 1.00 42.50 C ATOM 0 H ALA A 121 6.602 15.311 -13.674 1.00 62.30 H new ATOM 0 HA ALA A 121 4.102 16.853 -13.913 1.00 24.13 H new ATOM 0 HB1 ALA A 121 5.385 18.141 -15.590 1.00 42.50 H new ATOM 0 HB2 ALA A 121 6.205 18.113 -14.010 1.00 42.50 H new ATOM 0 HB3 ALA A 121 6.783 17.070 -15.331 1.00 42.50 H new ATOM 1888 N ALA A 122 4.116 14.338 -15.343 1.00 63.11 N ATOM 1889 CA ALA A 122 3.624 13.460 -16.395 1.00 41.41 C ATOM 1890 C ALA A 122 2.556 12.510 -15.863 1.00 13.35 C ATOM 1891 O ALA A 122 2.789 11.308 -15.731 1.00 65.52 O ATOM 1892 CB ALA A 122 4.776 12.678 -17.002 1.00 72.11 C ATOM 0 H ALA A 122 4.164 13.906 -14.420 1.00 63.11 H new ATOM 0 HA ALA A 122 3.167 14.076 -17.169 1.00 41.41 H new ATOM 0 HB1 ALA A 122 4.398 12.024 -17.788 1.00 72.11 H new ATOM 0 HB2 ALA A 122 5.503 13.371 -17.425 1.00 72.11 H new ATOM 0 HB3 ALA A 122 5.255 12.077 -16.229 1.00 72.11 H new ATOM 1898 N ARG A 123 1.383 13.056 -15.558 1.00 75.22 N ATOM 1899 CA ARG A 123 0.280 12.257 -15.041 1.00 61.14 C ATOM 1900 C ARG A 123 -0.483 11.585 -16.178 1.00 65.44 C ATOM 1901 O ARG A 123 -1.499 12.098 -16.645 1.00 42.02 O ATOM 1902 CB ARG A 123 -0.670 13.133 -14.224 1.00 53.42 C ATOM 1903 CG ARG A 123 -1.194 14.337 -14.990 1.00 2.25 C ATOM 1904 CD ARG A 123 -2.685 14.532 -14.774 1.00 53.51 C ATOM 1905 NE ARG A 123 -3.021 14.671 -13.359 1.00 51.42 N ATOM 1906 CZ ARG A 123 -4.235 14.983 -12.912 1.00 31.21 C ATOM 1907 NH1 ARG A 123 -5.231 15.191 -13.765 1.00 42.13 N ATOM 1908 NH2 ARG A 123 -4.454 15.088 -11.609 1.00 71.11 N ATOM 0 H ARG A 123 1.173 14.049 -15.660 1.00 75.22 H new ATOM 0 HA ARG A 123 0.695 11.482 -14.397 1.00 61.14 H new ATOM 0 HB2 ARG A 123 -1.514 12.528 -13.892 1.00 53.42 H new ATOM 0 HB3 ARG A 123 -0.153 13.479 -13.329 1.00 53.42 H new ATOM 0 HG2 ARG A 123 -0.660 15.232 -14.672 1.00 2.25 H new ATOM 0 HG3 ARG A 123 -0.994 14.208 -16.054 1.00 2.25 H new ATOM 0 HD2 ARG A 123 -3.016 15.419 -15.314 1.00 53.51 H new ATOM 0 HD3 ARG A 123 -3.226 13.683 -15.193 1.00 53.51 H new ATOM 0 HE ARG A 123 -2.281 14.520 -12.673 1.00 51.42 H new ATOM 0 HH11 ARG A 123 -5.068 15.112 -14.769 1.00 42.13 H new ATOM 0 HH12 ARG A 123 -6.159 15.430 -13.417 1.00 42.13 H new ATOM 0 HH21 ARG A 123 -3.692 14.930 -10.949 1.00 71.11 H new ATOM 0 HH22 ARG A 123 -5.384 15.327 -11.266 1.00 71.11 H new ATOM 1922 N THR A 124 0.014 10.434 -16.621 1.00 34.42 N ATOM 1923 CA THR A 124 -0.624 9.695 -17.705 1.00 33.45 C ATOM 1924 C THR A 124 -2.079 9.383 -17.369 1.00 53.21 C ATOM 1925 O THR A 124 -2.941 9.373 -18.248 1.00 25.45 O ATOM 1926 CB THR A 124 0.137 8.397 -17.985 1.00 72.11 C ATOM 1927 OG1 THR A 124 -0.027 7.479 -16.919 1.00 41.34 O ATOM 1928 CG2 THR A 124 1.622 8.607 -18.186 1.00 64.34 C ATOM 0 H THR A 124 0.855 9.994 -16.247 1.00 34.42 H new ATOM 0 HA THR A 124 -0.602 10.320 -18.598 1.00 33.45 H new ATOM 0 HB THR A 124 -0.287 8.007 -18.910 1.00 72.11 H new ATOM 0 HG1 THR A 124 0.267 7.894 -16.082 1.00 41.34 H new ATOM 0 HG21 THR A 124 2.102 7.648 -18.380 1.00 64.34 H new ATOM 0 HG22 THR A 124 1.784 9.272 -19.034 1.00 64.34 H new ATOM 0 HG23 THR A 124 2.051 9.052 -17.289 1.00 64.34 H new ATOM 1936 N VAL A 125 -2.344 9.131 -16.092 1.00 3.12 N ATOM 1937 CA VAL A 125 -3.687 8.820 -15.635 1.00 64.24 C ATOM 1938 C VAL A 125 -4.250 9.959 -14.788 1.00 13.54 C ATOM 1939 O VAL A 125 -3.647 10.361 -13.793 1.00 33.33 O ATOM 1940 CB VAL A 125 -3.699 7.517 -14.814 1.00 74.40 C ATOM 1941 CG1 VAL A 125 -5.087 7.240 -14.266 1.00 73.11 C ATOM 1942 CG2 VAL A 125 -3.209 6.351 -15.658 1.00 64.25 C ATOM 0 H VAL A 125 -1.640 9.137 -15.354 1.00 3.12 H new ATOM 0 HA VAL A 125 -4.313 8.690 -16.518 1.00 64.24 H new ATOM 0 HB VAL A 125 -3.020 7.637 -13.970 1.00 74.40 H new ATOM 0 HG11 VAL A 125 -5.073 6.315 -13.689 1.00 73.11 H new ATOM 0 HG12 VAL A 125 -5.395 8.064 -13.622 1.00 73.11 H new ATOM 0 HG13 VAL A 125 -5.791 7.142 -15.092 1.00 73.11 H new ATOM 0 HG21 VAL A 125 -3.224 5.439 -15.062 1.00 64.25 H new ATOM 0 HG22 VAL A 125 -3.860 6.230 -16.524 1.00 64.25 H new ATOM 0 HG23 VAL A 125 -2.191 6.548 -15.994 1.00 64.25 H new ATOM 1952 N GLU A 126 -5.407 10.474 -15.189 1.00 63.41 N ATOM 1953 CA GLU A 126 -6.049 11.565 -14.466 1.00 64.34 C ATOM 1954 C GLU A 126 -6.569 11.090 -13.113 1.00 22.14 C ATOM 1955 O GLU A 126 -6.720 9.890 -12.881 1.00 3.14 O ATOM 1956 CB GLU A 126 -7.197 12.148 -15.292 1.00 63.24 C ATOM 1957 CG GLU A 126 -8.178 11.101 -15.792 1.00 4.14 C ATOM 1958 CD GLU A 126 -9.576 11.656 -15.981 1.00 31.02 C ATOM 1959 OE1 GLU A 126 -9.715 12.893 -16.088 1.00 52.45 O ATOM 1960 OE2 GLU A 126 -10.533 10.854 -16.023 1.00 71.43 O ATOM 0 H GLU A 126 -5.919 10.153 -16.011 1.00 63.41 H new ATOM 0 HA GLU A 126 -5.304 12.342 -14.296 1.00 64.34 H new ATOM 0 HB2 GLU A 126 -7.735 12.878 -14.687 1.00 63.24 H new ATOM 0 HB3 GLU A 126 -6.783 12.684 -16.146 1.00 63.24 H new ATOM 0 HG2 GLU A 126 -7.821 10.696 -16.739 1.00 4.14 H new ATOM 0 HG3 GLU A 126 -8.212 10.273 -15.084 1.00 4.14 H new ATOM 1967 N SER A 127 -6.841 12.039 -12.223 1.00 61.34 N ATOM 1968 CA SER A 127 -7.343 11.718 -10.891 1.00 42.31 C ATOM 1969 C SER A 127 -8.777 11.199 -10.957 1.00 55.15 C ATOM 1970 O SER A 127 -9.150 10.283 -10.225 1.00 34.11 O ATOM 1971 CB SER A 127 -7.276 12.950 -9.988 1.00 12.10 C ATOM 1972 OG SER A 127 -8.068 12.775 -8.825 1.00 32.35 O ATOM 0 H SER A 127 -6.722 13.037 -12.400 1.00 61.34 H new ATOM 0 HA SER A 127 -6.712 10.934 -10.473 1.00 42.31 H new ATOM 0 HB2 SER A 127 -6.241 13.139 -9.702 1.00 12.10 H new ATOM 0 HB3 SER A 127 -7.620 13.826 -10.537 1.00 12.10 H new ATOM 0 HG SER A 127 -8.007 13.576 -8.264 1.00 32.35 H new ATOM 1978 N ARG A 128 -9.576 11.791 -11.840 1.00 1.41 N ATOM 1979 CA ARG A 128 -10.970 11.390 -12.002 1.00 51.13 C ATOM 1980 C ARG A 128 -11.077 9.898 -12.309 1.00 1.25 C ATOM 1981 O ARG A 128 -11.896 9.191 -11.722 1.00 15.25 O ATOM 1982 CB ARG A 128 -11.628 12.207 -13.119 1.00 64.42 C ATOM 1983 CG ARG A 128 -13.030 11.739 -13.481 1.00 15.21 C ATOM 1984 CD ARG A 128 -13.936 11.685 -12.261 1.00 41.42 C ATOM 1985 NE ARG A 128 -15.288 12.148 -12.563 1.00 33.12 N ATOM 1986 CZ ARG A 128 -16.308 12.066 -11.711 1.00 34.33 C ATOM 1987 NH1 ARG A 128 -16.134 11.539 -10.506 1.00 63.33 N ATOM 1988 NH2 ARG A 128 -17.505 12.512 -12.066 1.00 32.22 N ATOM 0 H ARG A 128 -9.282 12.550 -12.454 1.00 1.41 H new ATOM 0 HA ARG A 128 -11.491 11.584 -11.065 1.00 51.13 H new ATOM 0 HB2 ARG A 128 -11.672 13.252 -12.814 1.00 64.42 H new ATOM 0 HB3 ARG A 128 -10.999 12.161 -14.008 1.00 64.42 H new ATOM 0 HG2 ARG A 128 -13.458 12.413 -14.223 1.00 15.21 H new ATOM 0 HG3 ARG A 128 -12.977 10.752 -13.939 1.00 15.21 H new ATOM 0 HD2 ARG A 128 -13.978 10.663 -11.886 1.00 41.42 H new ATOM 0 HD3 ARG A 128 -13.511 12.299 -11.467 1.00 41.42 H new ATOM 0 HE ARG A 128 -15.461 12.558 -13.481 1.00 33.12 H new ATOM 0 HH11 ARG A 128 -15.215 11.194 -10.228 1.00 63.33 H new ATOM 0 HH12 ARG A 128 -16.919 11.479 -9.857 1.00 63.33 H new ATOM 0 HH21 ARG A 128 -17.644 12.918 -12.991 1.00 32.22 H new ATOM 0 HH22 ARG A 128 -18.287 12.449 -11.414 1.00 32.22 H new ATOM 2002 N GLN A 129 -10.246 9.427 -13.233 1.00 34.23 N ATOM 2003 CA GLN A 129 -10.249 8.020 -13.617 1.00 74.10 C ATOM 2004 C GLN A 129 -9.858 7.133 -12.440 1.00 74.31 C ATOM 2005 O GLN A 129 -10.409 6.047 -12.259 1.00 42.42 O ATOM 2006 CB GLN A 129 -9.293 7.787 -14.788 1.00 72.40 C ATOM 2007 CG GLN A 129 -9.659 6.584 -15.642 1.00 51.12 C ATOM 2008 CD GLN A 129 -8.884 6.536 -16.944 1.00 24.41 C ATOM 2009 OE1 GLN A 129 -7.563 6.451 -16.845 1.00 12.52 O flip ATOM 2010 NE2 GLN A 129 -9.467 6.574 -18.028 1.00 12.10 N flip ATOM 0 H GLN A 129 -9.562 9.998 -13.729 1.00 34.23 H new ATOM 0 HA GLN A 129 -11.260 7.756 -13.926 1.00 74.10 H new ATOM 0 HB2 GLN A 129 -9.278 8.677 -15.417 1.00 72.40 H new ATOM 0 HB3 GLN A 129 -8.283 7.653 -14.401 1.00 72.40 H new ATOM 0 HG2 GLN A 129 -9.470 5.671 -15.077 1.00 51.12 H new ATOM 0 HG3 GLN A 129 -10.727 6.609 -15.860 1.00 51.12 H new ATOM 0 HE21 GLN A 129 -10.484 6.639 -18.058 1.00 12.10 H new ATOM 0 HE22 GLN A 129 -8.932 6.540 -18.896 1.00 12.10 H new ATOM 2019 N ALA A 130 -8.903 7.601 -11.643 1.00 55.31 N ATOM 2020 CA ALA A 130 -8.440 6.849 -10.483 1.00 2.21 C ATOM 2021 C ALA A 130 -9.510 6.800 -9.398 1.00 73.23 C ATOM 2022 O ALA A 130 -9.742 5.756 -8.788 1.00 30.31 O ATOM 2023 CB ALA A 130 -7.158 7.458 -9.936 1.00 24.05 C ATOM 0 H ALA A 130 -8.435 8.497 -11.779 1.00 55.31 H new ATOM 0 HA ALA A 130 -8.236 5.827 -10.802 1.00 2.21 H new ATOM 0 HB1 ALA A 130 -6.824 6.886 -9.070 1.00 24.05 H new ATOM 0 HB2 ALA A 130 -6.387 7.435 -10.706 1.00 24.05 H new ATOM 0 HB3 ALA A 130 -7.343 8.490 -9.639 1.00 24.05 H new ATOM 2029 N GLN A 131 -10.160 7.935 -9.163 1.00 21.14 N ATOM 2030 CA GLN A 131 -11.207 8.021 -8.152 1.00 4.33 C ATOM 2031 C GLN A 131 -12.435 7.220 -8.572 1.00 32.03 C ATOM 2032 O GLN A 131 -13.157 6.685 -7.730 1.00 74.03 O ATOM 2033 CB GLN A 131 -11.592 9.482 -7.908 1.00 22.14 C ATOM 2034 CG GLN A 131 -10.850 10.119 -6.745 1.00 60.12 C ATOM 2035 CD GLN A 131 -11.779 10.566 -5.633 1.00 63.45 C ATOM 2036 OE1 GLN A 131 -12.126 11.743 -5.534 1.00 72.20 O ATOM 2037 NE2 GLN A 131 -12.186 9.626 -4.789 1.00 62.31 N ATOM 0 H GLN A 131 -9.980 8.808 -9.659 1.00 21.14 H new ATOM 0 HA GLN A 131 -10.819 7.597 -7.226 1.00 4.33 H new ATOM 0 HB2 GLN A 131 -11.395 10.057 -8.813 1.00 22.14 H new ATOM 0 HB3 GLN A 131 -12.664 9.540 -7.720 1.00 22.14 H new ATOM 0 HG2 GLN A 131 -10.128 9.406 -6.346 1.00 60.12 H new ATOM 0 HG3 GLN A 131 -10.284 10.977 -7.107 1.00 60.12 H new ATOM 0 HE21 GLN A 131 -11.873 8.663 -4.909 1.00 62.31 H new ATOM 0 HE22 GLN A 131 -12.812 9.867 -4.020 1.00 62.31 H new ATOM 2046 N ASP A 132 -12.666 7.139 -9.879 1.00 20.05 N ATOM 2047 CA ASP A 132 -13.806 6.401 -10.410 1.00 0.43 C ATOM 2048 C ASP A 132 -13.760 4.942 -9.965 1.00 73.42 C ATOM 2049 O ASP A 132 -14.776 4.372 -9.565 1.00 75.33 O ATOM 2050 CB ASP A 132 -13.826 6.481 -11.937 1.00 23.43 C ATOM 2051 CG ASP A 132 -15.037 5.792 -12.537 1.00 71.53 C ATOM 2052 OD1 ASP A 132 -16.142 6.369 -12.469 1.00 53.10 O ATOM 2053 OD2 ASP A 132 -14.879 4.676 -13.074 1.00 63.44 O ATOM 0 H ASP A 132 -12.079 7.576 -10.589 1.00 20.05 H new ATOM 0 HA ASP A 132 -14.717 6.854 -10.019 1.00 0.43 H new ATOM 0 HB2 ASP A 132 -13.818 7.527 -12.243 1.00 23.43 H new ATOM 0 HB3 ASP A 132 -12.919 6.026 -12.334 1.00 23.43 H new ATOM 2058 N LEU A 133 -12.575 4.346 -10.035 1.00 32.53 N ATOM 2059 CA LEU A 133 -12.394 2.955 -9.637 1.00 2.43 C ATOM 2060 C LEU A 133 -12.462 2.815 -8.120 1.00 40.31 C ATOM 2061 O LEU A 133 -13.170 1.955 -7.596 1.00 2.22 O ATOM 2062 CB LEU A 133 -11.053 2.426 -10.152 1.00 72.43 C ATOM 2063 CG LEU A 133 -10.685 1.017 -9.680 1.00 70.41 C ATOM 2064 CD1 LEU A 133 -11.448 -0.032 -10.477 1.00 3.23 C ATOM 2065 CD2 LEU A 133 -9.184 0.795 -9.794 1.00 25.55 C ATOM 0 H LEU A 133 -11.725 4.804 -10.364 1.00 32.53 H new ATOM 0 HA LEU A 133 -13.200 2.367 -10.076 1.00 2.43 H new ATOM 0 HB2 LEU A 133 -11.072 2.434 -11.242 1.00 72.43 H new ATOM 0 HB3 LEU A 133 -10.266 3.113 -9.842 1.00 72.43 H new ATOM 0 HG LEU A 133 -10.968 0.918 -8.632 1.00 70.41 H new ATOM 0 HD11 LEU A 133 -11.173 -1.027 -10.127 1.00 3.23 H new ATOM 0 HD12 LEU A 133 -12.519 0.117 -10.342 1.00 3.23 H new ATOM 0 HD13 LEU A 133 -11.199 0.062 -11.534 1.00 3.23 H new ATOM 0 HD21 LEU A 133 -8.938 -0.211 -9.455 1.00 25.55 H new ATOM 0 HD22 LEU A 133 -8.877 0.913 -10.833 1.00 25.55 H new ATOM 0 HD23 LEU A 133 -8.660 1.524 -9.176 1.00 25.55 H new ATOM 2077 N ALA A 134 -11.720 3.667 -7.419 1.00 11.41 N ATOM 2078 CA ALA A 134 -11.695 3.639 -5.962 1.00 23.33 C ATOM 2079 C ALA A 134 -13.097 3.808 -5.386 1.00 64.33 C ATOM 2080 O ALA A 134 -13.461 3.154 -4.408 1.00 55.40 O ATOM 2081 CB ALA A 134 -10.769 4.721 -5.429 1.00 12.55 C ATOM 0 H ALA A 134 -11.128 4.385 -7.837 1.00 11.41 H new ATOM 0 HA ALA A 134 -11.316 2.666 -5.648 1.00 23.33 H new ATOM 0 HB1 ALA A 134 -10.760 4.688 -4.340 1.00 12.55 H new ATOM 0 HB2 ALA A 134 -9.760 4.554 -5.805 1.00 12.55 H new ATOM 0 HB3 ALA A 134 -11.122 5.698 -5.760 1.00 12.55 H new ATOM 2087 N ARG A 135 -13.880 4.690 -5.999 1.00 53.52 N ATOM 2088 CA ARG A 135 -15.243 4.945 -5.549 1.00 0.51 C ATOM 2089 C ARG A 135 -16.115 3.705 -5.721 1.00 50.14 C ATOM 2090 O ARG A 135 -17.060 3.489 -4.963 1.00 1.14 O ATOM 2091 CB ARG A 135 -15.848 6.119 -6.321 1.00 63.15 C ATOM 2092 CG ARG A 135 -17.270 6.456 -5.900 1.00 54.31 C ATOM 2093 CD ARG A 135 -17.699 7.820 -6.418 1.00 53.44 C ATOM 2094 NE ARG A 135 -19.014 7.775 -7.052 1.00 64.01 N ATOM 2095 CZ ARG A 135 -19.513 8.760 -7.795 1.00 23.21 C ATOM 2096 NH1 ARG A 135 -18.811 9.868 -7.998 1.00 12.44 N ATOM 2097 NH2 ARG A 135 -20.717 8.637 -8.336 1.00 43.53 N ATOM 0 H ARG A 135 -13.594 5.240 -6.809 1.00 53.52 H new ATOM 0 HA ARG A 135 -15.206 5.197 -4.489 1.00 0.51 H new ATOM 0 HB2 ARG A 135 -15.219 6.998 -6.181 1.00 63.15 H new ATOM 0 HB3 ARG A 135 -15.839 5.886 -7.386 1.00 63.15 H new ATOM 0 HG2 ARG A 135 -17.952 5.693 -6.275 1.00 54.31 H new ATOM 0 HG3 ARG A 135 -17.341 6.440 -4.812 1.00 54.31 H new ATOM 0 HD2 ARG A 135 -17.719 8.532 -5.593 1.00 53.44 H new ATOM 0 HD3 ARG A 135 -16.963 8.184 -7.135 1.00 53.44 H new ATOM 0 HE ARG A 135 -19.583 6.940 -6.917 1.00 64.01 H new ATOM 0 HH11 ARG A 135 -17.884 9.968 -7.584 1.00 12.44 H new ATOM 0 HH12 ARG A 135 -19.198 10.620 -8.568 1.00 12.44 H new ATOM 0 HH21 ARG A 135 -21.261 7.788 -8.183 1.00 43.53 H new ATOM 0 HH22 ARG A 135 -21.100 9.392 -8.905 1.00 43.53 H new ATOM 2111 N SER A 136 -15.788 2.891 -6.720 1.00 72.13 N ATOM 2112 CA SER A 136 -16.540 1.671 -6.988 1.00 21.14 C ATOM 2113 C SER A 136 -16.247 0.617 -5.927 1.00 1.04 C ATOM 2114 O SER A 136 -17.125 -0.154 -5.541 1.00 45.24 O ATOM 2115 CB SER A 136 -16.196 1.127 -8.375 1.00 34.31 C ATOM 2116 OG SER A 136 -17.284 0.405 -8.926 1.00 40.40 O ATOM 0 H SER A 136 -15.008 3.054 -7.357 1.00 72.13 H new ATOM 0 HA SER A 136 -17.603 1.911 -6.957 1.00 21.14 H new ATOM 0 HB2 SER A 136 -15.931 1.952 -9.037 1.00 34.31 H new ATOM 0 HB3 SER A 136 -15.322 0.479 -8.308 1.00 34.31 H new ATOM 0 HG SER A 136 -17.038 0.070 -9.813 1.00 40.40 H new ATOM 2122 N TYR A 137 -15.005 0.594 -5.457 1.00 15.31 N ATOM 2123 CA TYR A 137 -14.588 -0.359 -4.437 1.00 23.02 C ATOM 2124 C TYR A 137 -15.122 0.040 -3.064 1.00 54.13 C ATOM 2125 O TYR A 137 -15.206 -0.788 -2.157 1.00 42.35 O ATOM 2126 CB TYR A 137 -13.062 -0.456 -4.393 1.00 2.22 C ATOM 2127 CG TYR A 137 -12.446 -1.046 -5.644 1.00 45.23 C ATOM 2128 CD1 TYR A 137 -13.099 -2.036 -6.368 1.00 73.40 C ATOM 2129 CD2 TYR A 137 -11.207 -0.612 -6.098 1.00 34.23 C ATOM 2130 CE1 TYR A 137 -12.535 -2.576 -7.509 1.00 44.02 C ATOM 2131 CE2 TYR A 137 -10.637 -1.147 -7.238 1.00 50.21 C ATOM 2132 CZ TYR A 137 -11.305 -2.129 -7.939 1.00 11.22 C ATOM 2133 OH TYR A 137 -10.740 -2.665 -9.074 1.00 1.30 O ATOM 0 H TYR A 137 -14.268 1.227 -5.768 1.00 15.31 H new ATOM 0 HA TYR A 137 -15.001 -1.333 -4.698 1.00 23.02 H new ATOM 0 HB2 TYR A 137 -12.649 0.540 -4.232 1.00 2.22 H new ATOM 0 HB3 TYR A 137 -12.771 -1.064 -3.536 1.00 2.22 H new ATOM 0 HD1 TYR A 137 -14.063 -2.390 -6.034 1.00 73.40 H new ATOM 0 HD2 TYR A 137 -10.680 0.156 -5.551 1.00 34.23 H new ATOM 0 HE1 TYR A 137 -13.056 -3.345 -8.060 1.00 44.02 H new ATOM 0 HE2 TYR A 137 -9.673 -0.798 -7.578 1.00 50.21 H new ATOM 0 HH TYR A 137 -10.759 -3.643 -9.018 1.00 1.30 H new ATOM 2143 N GLY A 138 -15.479 1.312 -2.915 1.00 60.22 N ATOM 2144 CA GLY A 138 -15.995 1.793 -1.648 1.00 1.45 C ATOM 2145 C GLY A 138 -14.893 2.165 -0.675 1.00 45.21 C ATOM 2146 O GLY A 138 -15.132 2.279 0.527 1.00 10.13 O ATOM 0 H GLY A 138 -15.420 2.017 -3.649 1.00 60.22 H new ATOM 0 HA2 GLY A 138 -16.628 2.662 -1.824 1.00 1.45 H new ATOM 0 HA3 GLY A 138 -16.626 1.024 -1.201 1.00 1.45 H new ATOM 2150 N ILE A 139 -13.683 2.355 -1.194 1.00 21.31 N ATOM 2151 CA ILE A 139 -12.543 2.716 -0.359 1.00 21.25 C ATOM 2152 C ILE A 139 -12.063 4.133 -0.655 1.00 1.12 C ATOM 2153 O ILE A 139 -12.302 4.666 -1.738 1.00 63.41 O ATOM 2154 CB ILE A 139 -11.373 1.742 -0.545 1.00 63.10 C ATOM 2155 CG1 ILE A 139 -11.194 1.398 -2.018 1.00 55.31 C ATOM 2156 CG2 ILE A 139 -11.599 0.482 0.277 1.00 72.10 C ATOM 2157 CD1 ILE A 139 -10.030 0.477 -2.265 1.00 72.03 C ATOM 0 H ILE A 139 -13.468 2.265 -2.187 1.00 21.31 H new ATOM 0 HA ILE A 139 -12.887 2.662 0.674 1.00 21.25 H new ATOM 0 HB ILE A 139 -10.460 2.224 -0.194 1.00 63.10 H new ATOM 0 HG12 ILE A 139 -12.106 0.931 -2.391 1.00 55.31 H new ATOM 0 HG13 ILE A 139 -11.051 2.317 -2.586 1.00 55.31 H new ATOM 0 HG21 ILE A 139 -10.761 -0.200 0.135 1.00 72.10 H new ATOM 0 HG22 ILE A 139 -11.678 0.745 1.332 1.00 72.10 H new ATOM 0 HG23 ILE A 139 -12.520 -0.003 -0.046 1.00 72.10 H new ATOM 0 HD11 ILE A 139 -9.952 0.267 -3.332 1.00 72.03 H new ATOM 0 HD12 ILE A 139 -9.111 0.951 -1.920 1.00 72.03 H new ATOM 0 HD13 ILE A 139 -10.182 -0.456 -1.722 1.00 72.03 H new ATOM 2169 N PRO A 140 -11.374 4.766 0.312 1.00 33.54 N ATOM 2170 CA PRO A 140 -10.859 6.130 0.152 1.00 53.40 C ATOM 2171 C PRO A 140 -9.708 6.204 -0.844 1.00 72.35 C ATOM 2172 O PRO A 140 -9.024 5.212 -1.095 1.00 61.20 O ATOM 2173 CB PRO A 140 -10.370 6.494 1.555 1.00 64.10 C ATOM 2174 CG PRO A 140 -10.063 5.188 2.202 1.00 21.21 C ATOM 2175 CD PRO A 140 -11.047 4.201 1.635 1.00 4.12 C ATOM 0 HA PRO A 140 -11.619 6.806 -0.239 1.00 53.40 H new ATOM 0 HB2 PRO A 140 -9.487 7.132 1.513 1.00 64.10 H new ATOM 0 HB3 PRO A 140 -11.132 7.041 2.110 1.00 64.10 H new ATOM 0 HG2 PRO A 140 -9.038 4.881 1.993 1.00 21.21 H new ATOM 0 HG3 PRO A 140 -10.160 5.257 3.285 1.00 21.21 H new ATOM 0 HD2 PRO A 140 -10.613 3.205 1.550 1.00 4.12 H new ATOM 0 HD3 PRO A 140 -11.933 4.111 2.263 1.00 4.12 H new ATOM 2183 N TYR A 141 -9.496 7.391 -1.404 1.00 12.30 N ATOM 2184 CA TYR A 141 -8.424 7.602 -2.369 1.00 3.02 C ATOM 2185 C TYR A 141 -7.581 8.812 -1.977 1.00 70.34 C ATOM 2186 O TYR A 141 -8.076 9.938 -1.932 1.00 14.31 O ATOM 2187 CB TYR A 141 -8.999 7.792 -3.775 1.00 54.41 C ATOM 2188 CG TYR A 141 -7.961 8.168 -4.809 1.00 75.51 C ATOM 2189 CD1 TYR A 141 -7.069 7.223 -5.299 1.00 2.31 C ATOM 2190 CD2 TYR A 141 -7.872 9.468 -5.292 1.00 41.33 C ATOM 2191 CE1 TYR A 141 -6.116 7.563 -6.241 1.00 3.32 C ATOM 2192 CE2 TYR A 141 -6.923 9.815 -6.234 1.00 34.21 C ATOM 2193 CZ TYR A 141 -6.048 8.859 -6.705 1.00 52.14 C ATOM 2194 OH TYR A 141 -5.101 9.201 -7.643 1.00 32.03 O ATOM 0 H TYR A 141 -10.053 8.222 -1.205 1.00 12.30 H new ATOM 0 HA TYR A 141 -7.785 6.719 -2.370 1.00 3.02 H new ATOM 0 HB2 TYR A 141 -9.491 6.870 -4.085 1.00 54.41 H new ATOM 0 HB3 TYR A 141 -9.765 8.567 -3.743 1.00 54.41 H new ATOM 0 HD1 TYR A 141 -7.121 6.206 -4.938 1.00 2.31 H new ATOM 0 HD2 TYR A 141 -8.556 10.219 -4.925 1.00 41.33 H new ATOM 0 HE1 TYR A 141 -5.428 6.817 -6.611 1.00 3.32 H new ATOM 0 HE2 TYR A 141 -6.867 10.830 -6.600 1.00 34.21 H new ATOM 0 HH TYR A 141 -5.188 10.152 -7.864 1.00 32.03 H new ATOM 2204 N ILE A 142 -6.307 8.569 -1.688 1.00 3.31 N ATOM 2205 CA ILE A 142 -5.397 9.631 -1.293 1.00 75.23 C ATOM 2206 C ILE A 142 -4.224 9.741 -2.262 1.00 64.13 C ATOM 2207 O ILE A 142 -3.881 8.778 -2.948 1.00 65.04 O ATOM 2208 CB ILE A 142 -4.855 9.391 0.127 1.00 14.22 C ATOM 2209 CG1 ILE A 142 -6.001 9.048 1.085 1.00 23.42 C ATOM 2210 CG2 ILE A 142 -4.097 10.613 0.611 1.00 34.54 C ATOM 2211 CD1 ILE A 142 -6.081 7.576 1.426 1.00 45.43 C ATOM 0 H ILE A 142 -5.883 7.642 -1.721 1.00 3.31 H new ATOM 0 HA ILE A 142 -5.963 10.562 -1.311 1.00 75.23 H new ATOM 0 HB ILE A 142 -4.167 8.546 0.103 1.00 14.22 H new ATOM 0 HG12 ILE A 142 -5.879 9.620 2.005 1.00 23.42 H new ATOM 0 HG13 ILE A 142 -6.944 9.361 0.638 1.00 23.42 H new ATOM 0 HG21 ILE A 142 -3.718 10.431 1.617 1.00 34.54 H new ATOM 0 HG22 ILE A 142 -3.262 10.813 -0.061 1.00 34.54 H new ATOM 0 HG23 ILE A 142 -4.765 11.474 0.625 1.00 34.54 H new ATOM 0 HD11 ILE A 142 -6.914 7.405 2.108 1.00 45.43 H new ATOM 0 HD12 ILE A 142 -6.234 6.999 0.514 1.00 45.43 H new ATOM 0 HD13 ILE A 142 -5.152 7.262 1.902 1.00 45.43 H new ATOM 2223 N GLU A 143 -3.611 10.920 -2.312 1.00 45.24 N ATOM 2224 CA GLU A 143 -2.475 11.155 -3.196 1.00 32.32 C ATOM 2225 C GLU A 143 -1.206 11.416 -2.392 1.00 72.13 C ATOM 2226 O GLU A 143 -1.215 12.189 -1.434 1.00 24.52 O ATOM 2227 CB GLU A 143 -2.759 12.340 -4.122 1.00 20.13 C ATOM 2228 CG GLU A 143 -4.007 12.163 -4.972 1.00 2.24 C ATOM 2229 CD GLU A 143 -3.943 12.944 -6.270 1.00 42.35 C ATOM 2230 OE1 GLU A 143 -4.328 14.132 -6.268 1.00 23.22 O ATOM 2231 OE2 GLU A 143 -3.507 12.367 -7.289 1.00 34.41 O ATOM 0 H GLU A 143 -3.882 11.727 -1.751 1.00 45.24 H new ATOM 0 HA GLU A 143 -2.324 10.260 -3.799 1.00 32.32 H new ATOM 0 HB2 GLU A 143 -2.864 13.243 -3.521 1.00 20.13 H new ATOM 0 HB3 GLU A 143 -1.902 12.492 -4.778 1.00 20.13 H new ATOM 0 HG2 GLU A 143 -4.143 11.105 -5.195 1.00 2.24 H new ATOM 0 HG3 GLU A 143 -4.879 12.483 -4.402 1.00 2.24 H new ATOM 2238 N THR A 144 -0.115 10.766 -2.787 1.00 11.55 N ATOM 2239 CA THR A 144 1.160 10.930 -2.100 1.00 40.22 C ATOM 2240 C THR A 144 2.324 10.883 -3.086 1.00 14.25 C ATOM 2241 O THR A 144 2.158 10.490 -4.240 1.00 73.25 O ATOM 2242 CB THR A 144 1.334 9.843 -1.038 1.00 31.24 C ATOM 2243 OG1 THR A 144 1.532 8.578 -1.643 1.00 21.10 O ATOM 2244 CG2 THR A 144 0.149 9.725 -0.104 1.00 44.51 C ATOM 0 H THR A 144 -0.089 10.122 -3.578 1.00 11.55 H new ATOM 0 HA THR A 144 1.158 11.907 -1.616 1.00 40.22 H new ATOM 0 HB THR A 144 2.206 10.143 -0.457 1.00 31.24 H new ATOM 0 HG1 THR A 144 1.643 7.897 -0.948 1.00 21.10 H new ATOM 0 HG21 THR A 144 0.337 8.936 0.624 1.00 44.51 H new ATOM 0 HG22 THR A 144 -0.000 10.671 0.416 1.00 44.51 H new ATOM 0 HG23 THR A 144 -0.745 9.482 -0.679 1.00 44.51 H new ATOM 2252 N SER A 145 3.502 11.288 -2.620 1.00 73.12 N ATOM 2253 CA SER A 145 4.696 11.292 -3.456 1.00 54.12 C ATOM 2254 C SER A 145 5.903 10.773 -2.681 1.00 73.45 C ATOM 2255 O SER A 145 6.358 11.404 -1.727 1.00 14.33 O ATOM 2256 CB SER A 145 4.976 12.705 -3.974 1.00 21.01 C ATOM 2257 OG SER A 145 4.789 13.669 -2.952 1.00 40.14 O ATOM 0 H SER A 145 3.654 11.618 -1.667 1.00 73.12 H new ATOM 0 HA SER A 145 4.519 10.630 -4.304 1.00 54.12 H new ATOM 0 HB2 SER A 145 5.998 12.762 -4.350 1.00 21.01 H new ATOM 0 HB3 SER A 145 4.315 12.926 -4.812 1.00 21.01 H new ATOM 0 HG SER A 145 5.659 13.922 -2.578 1.00 40.14 H new ATOM 2263 N ALA A 146 6.415 9.619 -3.095 1.00 34.43 N ATOM 2264 CA ALA A 146 7.567 9.013 -2.437 1.00 14.01 C ATOM 2265 C ALA A 146 8.820 9.866 -2.611 1.00 13.52 C ATOM 2266 O ALA A 146 9.755 9.781 -1.815 1.00 72.22 O ATOM 2267 CB ALA A 146 7.803 7.610 -2.978 1.00 41.41 C ATOM 0 H ALA A 146 6.050 9.084 -3.883 1.00 34.43 H new ATOM 0 HA ALA A 146 7.351 8.952 -1.370 1.00 14.01 H new ATOM 0 HB1 ALA A 146 8.666 7.168 -2.479 1.00 41.41 H new ATOM 0 HB2 ALA A 146 6.922 6.995 -2.792 1.00 41.41 H new ATOM 0 HB3 ALA A 146 7.991 7.660 -4.051 1.00 41.41 H new ATOM 2273 N LYS A 147 8.838 10.686 -3.658 1.00 41.43 N ATOM 2274 CA LYS A 147 9.982 11.548 -3.934 1.00 32.11 C ATOM 2275 C LYS A 147 9.914 12.832 -3.113 1.00 13.21 C ATOM 2276 O LYS A 147 10.763 13.078 -2.256 1.00 22.23 O ATOM 2277 CB LYS A 147 10.042 11.887 -5.424 1.00 23.34 C ATOM 2278 CG LYS A 147 11.457 12.076 -5.947 1.00 14.43 C ATOM 2279 CD LYS A 147 12.051 10.762 -6.429 1.00 13.42 C ATOM 2280 CE LYS A 147 13.570 10.824 -6.489 1.00 52.44 C ATOM 2281 NZ LYS A 147 14.201 9.714 -5.724 1.00 74.21 N ATOM 0 H LYS A 147 8.074 10.771 -4.328 1.00 41.43 H new ATOM 0 HA LYS A 147 10.885 11.007 -3.651 1.00 32.11 H new ATOM 0 HB2 LYS A 147 9.558 11.091 -5.989 1.00 23.34 H new ATOM 0 HB3 LYS A 147 9.472 12.798 -5.604 1.00 23.34 H new ATOM 0 HG2 LYS A 147 11.451 12.796 -6.765 1.00 14.43 H new ATOM 0 HG3 LYS A 147 12.085 12.494 -5.160 1.00 14.43 H new ATOM 0 HD2 LYS A 147 11.745 9.957 -5.761 1.00 13.42 H new ATOM 0 HD3 LYS A 147 11.656 10.524 -7.417 1.00 13.42 H new ATOM 0 HE2 LYS A 147 13.894 10.779 -7.529 1.00 52.44 H new ATOM 0 HE3 LYS A 147 13.910 11.779 -6.090 1.00 52.44 H new ATOM 0 HZ1 LYS A 147 15.236 9.792 -5.790 1.00 74.21 H new ATOM 0 HZ2 LYS A 147 13.912 9.772 -4.727 1.00 74.21 H new ATOM 0 HZ3 LYS A 147 13.897 8.802 -6.121 1.00 74.21 H new ATOM 2295 N THR A 148 8.902 13.650 -3.383 1.00 3.33 N ATOM 2296 CA THR A 148 8.728 14.913 -2.672 1.00 41.22 C ATOM 2297 C THR A 148 8.250 14.682 -1.240 1.00 63.24 C ATOM 2298 O THR A 148 8.390 15.555 -0.384 1.00 32.34 O ATOM 2299 CB THR A 148 7.734 15.809 -3.415 1.00 42.15 C ATOM 2300 OG1 THR A 148 6.804 15.030 -4.150 1.00 15.54 O ATOM 2301 CG2 THR A 148 8.399 16.770 -4.378 1.00 61.32 C ATOM 0 H THR A 148 8.190 13.462 -4.089 1.00 3.33 H new ATOM 0 HA THR A 148 9.698 15.409 -2.632 1.00 41.22 H new ATOM 0 HB THR A 148 7.232 16.388 -2.640 1.00 42.15 H new ATOM 0 HG1 THR A 148 5.894 15.342 -3.961 1.00 15.54 H new ATOM 0 HG21 THR A 148 7.638 17.375 -4.871 1.00 61.32 H new ATOM 0 HG22 THR A 148 9.081 17.420 -3.830 1.00 61.32 H new ATOM 0 HG23 THR A 148 8.957 16.207 -5.127 1.00 61.32 H new ATOM 2309 N ARG A 149 7.684 13.506 -0.984 1.00 42.30 N ATOM 2310 CA ARG A 149 7.186 13.172 0.346 1.00 64.41 C ATOM 2311 C ARG A 149 6.036 14.094 0.741 1.00 45.22 C ATOM 2312 O ARG A 149 6.155 14.892 1.671 1.00 73.30 O ATOM 2313 CB ARG A 149 8.312 13.266 1.379 1.00 64.15 C ATOM 2314 CG ARG A 149 8.115 12.352 2.578 1.00 50.35 C ATOM 2315 CD ARG A 149 8.847 12.871 3.806 1.00 51.10 C ATOM 2316 NE ARG A 149 7.951 13.032 4.949 1.00 53.52 N ATOM 2317 CZ ARG A 149 7.187 14.104 5.149 1.00 43.14 C ATOM 2318 NH1 ARG A 149 7.201 15.110 4.284 1.00 61.21 N ATOM 2319 NH2 ARG A 149 6.403 14.169 6.217 1.00 24.00 N ATOM 0 H ARG A 149 7.559 12.770 -1.679 1.00 42.30 H new ATOM 0 HA ARG A 149 6.816 12.147 0.321 1.00 64.41 H new ATOM 0 HB2 ARG A 149 9.258 13.020 0.897 1.00 64.15 H new ATOM 0 HB3 ARG A 149 8.390 14.296 1.727 1.00 64.15 H new ATOM 0 HG2 ARG A 149 7.051 12.265 2.798 1.00 50.35 H new ATOM 0 HG3 ARG A 149 8.474 11.352 2.336 1.00 50.35 H new ATOM 0 HD2 ARG A 149 9.649 12.181 4.068 1.00 51.10 H new ATOM 0 HD3 ARG A 149 9.313 13.828 3.573 1.00 51.10 H new ATOM 0 HE ARG A 149 7.908 12.278 5.635 1.00 53.52 H new ATOM 0 HH11 ARG A 149 7.800 15.065 3.459 1.00 61.21 H new ATOM 0 HH12 ARG A 149 6.613 15.928 4.444 1.00 61.21 H new ATOM 0 HH21 ARG A 149 6.386 13.398 6.885 1.00 24.00 H new ATOM 0 HH22 ARG A 149 5.818 14.990 6.371 1.00 24.00 H new ATOM 2333 N GLN A 150 4.922 13.979 0.025 1.00 40.35 N ATOM 2334 CA GLN A 150 3.749 14.801 0.296 1.00 35.35 C ATOM 2335 C GLN A 150 2.561 13.934 0.702 1.00 33.32 C ATOM 2336 O GLN A 150 2.179 13.013 -0.018 1.00 21.20 O ATOM 2337 CB GLN A 150 3.392 15.634 -0.938 1.00 13.11 C ATOM 2338 CG GLN A 150 2.145 16.487 -0.760 1.00 65.31 C ATOM 2339 CD GLN A 150 2.389 17.950 -1.068 1.00 61.35 C ATOM 2340 OE1 GLN A 150 2.434 18.788 -0.167 1.00 35.04 O ATOM 2341 NE2 GLN A 150 2.546 18.265 -2.347 1.00 65.14 N ATOM 0 H GLN A 150 4.807 13.324 -0.748 1.00 40.35 H new ATOM 0 HA GLN A 150 3.985 15.471 1.123 1.00 35.35 H new ATOM 0 HB2 GLN A 150 4.233 16.282 -1.183 1.00 13.11 H new ATOM 0 HB3 GLN A 150 3.246 14.966 -1.787 1.00 13.11 H new ATOM 0 HG2 GLN A 150 1.356 16.110 -1.410 1.00 65.31 H new ATOM 0 HG3 GLN A 150 1.787 16.390 0.265 1.00 65.31 H new ATOM 0 HE21 GLN A 150 2.501 17.538 -3.061 1.00 65.14 H new ATOM 0 HE22 GLN A 150 2.712 19.235 -2.617 1.00 65.14 H new ATOM 2350 N GLY A 151 1.982 14.235 1.859 1.00 42.30 N ATOM 2351 CA GLY A 151 0.843 13.474 2.341 1.00 51.34 C ATOM 2352 C GLY A 151 1.122 11.984 2.412 1.00 30.31 C ATOM 2353 O GLY A 151 0.198 11.171 2.378 1.00 14.04 O ATOM 0 H GLY A 151 2.281 14.993 2.473 1.00 42.30 H new ATOM 0 HA2 GLY A 151 0.563 13.835 3.331 1.00 51.34 H new ATOM 0 HA3 GLY A 151 -0.010 13.649 1.685 1.00 51.34 H new ATOM 2357 N VAL A 152 2.398 11.623 2.511 1.00 23.34 N ATOM 2358 CA VAL A 152 2.793 10.222 2.587 1.00 24.25 C ATOM 2359 C VAL A 152 2.131 9.530 3.773 1.00 65.34 C ATOM 2360 O VAL A 152 1.447 8.518 3.613 1.00 34.15 O ATOM 2361 CB VAL A 152 4.321 10.074 2.709 1.00 34.12 C ATOM 2362 CG1 VAL A 152 4.728 8.612 2.612 1.00 60.25 C ATOM 2363 CG2 VAL A 152 5.024 10.902 1.643 1.00 55.14 C ATOM 0 H VAL A 152 3.176 12.282 2.540 1.00 23.34 H new ATOM 0 HA VAL A 152 2.463 9.750 1.662 1.00 24.25 H new ATOM 0 HB VAL A 152 4.626 10.447 3.687 1.00 34.12 H new ATOM 0 HG11 VAL A 152 5.811 8.529 2.700 1.00 60.25 H new ATOM 0 HG12 VAL A 152 4.254 8.048 3.416 1.00 60.25 H new ATOM 0 HG13 VAL A 152 4.411 8.209 1.650 1.00 60.25 H new ATOM 0 HG21 VAL A 152 6.103 10.785 1.744 1.00 55.14 H new ATOM 0 HG22 VAL A 152 4.714 10.562 0.655 1.00 55.14 H new ATOM 0 HG23 VAL A 152 4.760 11.952 1.765 1.00 55.14 H new ATOM 2373 N GLU A 153 2.337 10.083 4.963 1.00 15.22 N ATOM 2374 CA GLU A 153 1.758 9.521 6.178 1.00 50.43 C ATOM 2375 C GLU A 153 0.234 9.580 6.133 1.00 70.32 C ATOM 2376 O GLU A 153 -0.446 8.780 6.775 1.00 53.30 O ATOM 2377 CB GLU A 153 2.274 10.270 7.407 1.00 51.24 C ATOM 2378 CG GLU A 153 3.792 10.323 7.492 1.00 62.14 C ATOM 2379 CD GLU A 153 4.329 11.741 7.478 1.00 41.24 C ATOM 2380 OE1 GLU A 153 3.779 12.577 6.730 1.00 30.52 O ATOM 2381 OE2 GLU A 153 5.300 12.015 8.214 1.00 25.11 O ATOM 0 H GLU A 153 2.901 10.920 5.112 1.00 15.22 H new ATOM 0 HA GLU A 153 2.060 8.476 6.245 1.00 50.43 H new ATOM 0 HB2 GLU A 153 1.883 11.287 7.393 1.00 51.24 H new ATOM 0 HB3 GLU A 153 1.884 9.791 8.305 1.00 51.24 H new ATOM 0 HG2 GLU A 153 4.118 9.824 8.404 1.00 62.14 H new ATOM 0 HG3 GLU A 153 4.218 9.769 6.656 1.00 62.14 H new ATOM 2388 N ASP A 154 -0.297 10.532 5.371 1.00 71.44 N ATOM 2389 CA ASP A 154 -1.741 10.692 5.243 1.00 20.54 C ATOM 2390 C ASP A 154 -2.386 9.409 4.727 1.00 30.35 C ATOM 2391 O ASP A 154 -3.351 8.911 5.307 1.00 15.20 O ATOM 2392 CB ASP A 154 -2.066 11.853 4.301 1.00 24.13 C ATOM 2393 CG ASP A 154 -3.343 12.572 4.689 1.00 14.30 C ATOM 2394 OD1 ASP A 154 -3.415 13.081 5.827 1.00 32.23 O ATOM 2395 OD2 ASP A 154 -4.270 12.626 3.854 1.00 52.22 O ATOM 0 H ASP A 154 0.251 11.204 4.833 1.00 71.44 H new ATOM 0 HA ASP A 154 -2.146 10.911 6.231 1.00 20.54 H new ATOM 0 HB2 ASP A 154 -1.238 12.562 4.303 1.00 24.13 H new ATOM 0 HB3 ASP A 154 -2.160 11.476 3.283 1.00 24.13 H new ATOM 2400 N ALA A 155 -1.845 8.878 3.636 1.00 54.13 N ATOM 2401 CA ALA A 155 -2.366 7.651 3.044 1.00 25.43 C ATOM 2402 C ALA A 155 -2.310 6.499 4.041 1.00 22.51 C ATOM 2403 O ALA A 155 -3.284 5.767 4.215 1.00 72.45 O ATOM 2404 CB ALA A 155 -1.590 7.302 1.783 1.00 40.02 C ATOM 0 H ALA A 155 -1.046 9.278 3.144 1.00 54.13 H new ATOM 0 HA ALA A 155 -3.410 7.817 2.777 1.00 25.43 H new ATOM 0 HB1 ALA A 155 -1.990 6.384 1.352 1.00 40.02 H new ATOM 0 HB2 ALA A 155 -1.685 8.113 1.061 1.00 40.02 H new ATOM 0 HB3 ALA A 155 -0.538 7.158 2.031 1.00 40.02 H new ATOM 2410 N PHE A 156 -1.163 6.346 4.696 1.00 52.11 N ATOM 2411 CA PHE A 156 -0.978 5.285 5.680 1.00 44.32 C ATOM 2412 C PHE A 156 -2.014 5.393 6.793 1.00 51.45 C ATOM 2413 O PHE A 156 -2.684 4.416 7.129 1.00 62.35 O ATOM 2414 CB PHE A 156 0.429 5.352 6.274 1.00 50.43 C ATOM 2415 CG PHE A 156 1.468 4.665 5.435 1.00 54.21 C ATOM 2416 CD1 PHE A 156 1.521 3.283 5.371 1.00 42.05 C ATOM 2417 CD2 PHE A 156 2.392 5.403 4.713 1.00 71.11 C ATOM 2418 CE1 PHE A 156 2.476 2.647 4.601 1.00 34.44 C ATOM 2419 CE2 PHE A 156 3.351 4.773 3.942 1.00 22.22 C ATOM 2420 CZ PHE A 156 3.392 3.393 3.886 1.00 32.23 C ATOM 0 H PHE A 156 -0.347 6.944 4.563 1.00 52.11 H new ATOM 0 HA PHE A 156 -1.108 4.328 5.175 1.00 44.32 H new ATOM 0 HB2 PHE A 156 0.711 6.397 6.403 1.00 50.43 H new ATOM 0 HB3 PHE A 156 0.418 4.900 7.266 1.00 50.43 H new ATOM 0 HD1 PHE A 156 0.808 2.695 5.929 1.00 42.05 H new ATOM 0 HD2 PHE A 156 2.363 6.482 4.753 1.00 71.11 H new ATOM 0 HE1 PHE A 156 2.506 1.568 4.558 1.00 34.44 H new ATOM 0 HE2 PHE A 156 4.067 5.358 3.384 1.00 22.22 H new ATOM 0 HZ PHE A 156 4.140 2.898 3.284 1.00 32.23 H new ATOM 2430 N TYR A 157 -2.140 6.588 7.360 1.00 34.14 N ATOM 2431 CA TYR A 157 -3.094 6.829 8.438 1.00 52.10 C ATOM 2432 C TYR A 157 -4.501 6.403 8.027 1.00 11.32 C ATOM 2433 O TYR A 157 -5.283 5.933 8.853 1.00 22.02 O ATOM 2434 CB TYR A 157 -3.091 8.308 8.829 1.00 63.03 C ATOM 2435 CG TYR A 157 -1.848 8.734 9.579 1.00 34.22 C ATOM 2436 CD1 TYR A 157 -1.312 7.939 10.584 1.00 63.34 C ATOM 2437 CD2 TYR A 157 -1.213 9.933 9.282 1.00 31.21 C ATOM 2438 CE1 TYR A 157 -0.177 8.326 11.271 1.00 54.35 C ATOM 2439 CE2 TYR A 157 -0.078 10.327 9.964 1.00 22.11 C ATOM 2440 CZ TYR A 157 0.436 9.521 10.957 1.00 44.53 C ATOM 2441 OH TYR A 157 1.566 9.910 11.639 1.00 60.41 O ATOM 0 H TYR A 157 -1.593 7.406 7.091 1.00 34.14 H new ATOM 0 HA TYR A 157 -2.790 6.232 9.298 1.00 52.10 H new ATOM 0 HB2 TYR A 157 -3.187 8.914 7.928 1.00 63.03 H new ATOM 0 HB3 TYR A 157 -3.966 8.514 9.446 1.00 63.03 H new ATOM 0 HD1 TYR A 157 -1.790 7.003 10.833 1.00 63.34 H new ATOM 0 HD2 TYR A 157 -1.613 10.568 8.505 1.00 31.21 H new ATOM 0 HE1 TYR A 157 0.228 7.696 12.049 1.00 54.35 H new ATOM 0 HE2 TYR A 157 0.404 11.262 9.720 1.00 22.11 H new ATOM 0 HH TYR A 157 1.874 10.775 11.296 1.00 60.41 H new ATOM 2451 N THR A 158 -4.815 6.570 6.746 1.00 54.32 N ATOM 2452 CA THR A 158 -6.124 6.203 6.224 1.00 41.42 C ATOM 2453 C THR A 158 -6.414 4.726 6.471 1.00 61.30 C ATOM 2454 O THR A 158 -7.522 4.358 6.861 1.00 3.24 O ATOM 2455 CB THR A 158 -6.195 6.506 4.729 1.00 74.32 C ATOM 2456 OG1 THR A 158 -5.615 7.767 4.446 1.00 12.12 O ATOM 2457 CG2 THR A 158 -7.606 6.520 4.190 1.00 34.24 C ATOM 0 H THR A 158 -4.178 6.958 6.050 1.00 54.32 H new ATOM 0 HA THR A 158 -6.878 6.792 6.746 1.00 41.42 H new ATOM 0 HB THR A 158 -5.645 5.700 4.243 1.00 74.32 H new ATOM 0 HG1 THR A 158 -4.646 7.721 4.588 1.00 12.12 H new ATOM 0 HG21 THR A 158 -7.586 6.741 3.123 1.00 34.24 H new ATOM 0 HG22 THR A 158 -8.066 5.545 4.350 1.00 34.24 H new ATOM 0 HG23 THR A 158 -8.186 7.284 4.708 1.00 34.24 H new ATOM 2465 N LEU A 159 -5.411 3.883 6.242 1.00 64.25 N ATOM 2466 CA LEU A 159 -5.557 2.446 6.441 1.00 25.41 C ATOM 2467 C LEU A 159 -6.060 2.139 7.849 1.00 35.14 C ATOM 2468 O LEU A 159 -6.943 1.301 8.034 1.00 34.34 O ATOM 2469 CB LEU A 159 -4.224 1.738 6.195 1.00 73.24 C ATOM 2470 CG LEU A 159 -4.341 0.281 5.748 1.00 3.41 C ATOM 2471 CD1 LEU A 159 -4.933 -0.570 6.859 1.00 42.52 C ATOM 2472 CD2 LEU A 159 -5.185 0.179 4.487 1.00 13.13 C ATOM 0 H LEU A 159 -4.488 4.172 5.918 1.00 64.25 H new ATOM 0 HA LEU A 159 -6.292 2.078 5.725 1.00 25.41 H new ATOM 0 HB2 LEU A 159 -3.670 2.292 5.437 1.00 73.24 H new ATOM 0 HB3 LEU A 159 -3.635 1.775 7.111 1.00 73.24 H new ATOM 0 HG LEU A 159 -3.342 -0.094 5.524 1.00 3.41 H new ATOM 0 HD11 LEU A 159 -5.009 -1.604 6.524 1.00 42.52 H new ATOM 0 HD12 LEU A 159 -4.290 -0.520 7.738 1.00 42.52 H new ATOM 0 HD13 LEU A 159 -5.925 -0.197 7.114 1.00 42.52 H new ATOM 0 HD21 LEU A 159 -5.259 -0.865 4.182 1.00 13.13 H new ATOM 0 HD22 LEU A 159 -6.183 0.571 4.684 1.00 13.13 H new ATOM 0 HD23 LEU A 159 -4.719 0.758 3.690 1.00 13.13 H new ATOM 2484 N VAL A 160 -5.495 2.825 8.838 1.00 10.21 N ATOM 2485 CA VAL A 160 -5.890 2.629 10.229 1.00 12.23 C ATOM 2486 C VAL A 160 -7.396 2.796 10.402 1.00 21.33 C ATOM 2487 O VAL A 160 -8.077 1.900 10.901 1.00 13.51 O ATOM 2488 CB VAL A 160 -5.165 3.618 11.161 1.00 64.44 C ATOM 2489 CG1 VAL A 160 -5.485 3.317 12.618 1.00 63.24 C ATOM 2490 CG2 VAL A 160 -3.663 3.580 10.916 1.00 70.51 C ATOM 0 H VAL A 160 -4.762 3.521 8.702 1.00 10.21 H new ATOM 0 HA VAL A 160 -5.607 1.611 10.499 1.00 12.23 H new ATOM 0 HB VAL A 160 -5.521 4.624 10.938 1.00 64.44 H new ATOM 0 HG11 VAL A 160 -4.963 4.027 13.259 1.00 63.24 H new ATOM 0 HG12 VAL A 160 -6.559 3.404 12.780 1.00 63.24 H new ATOM 0 HG13 VAL A 160 -5.162 2.304 12.860 1.00 63.24 H new ATOM 0 HG21 VAL A 160 -3.168 4.285 11.583 1.00 70.51 H new ATOM 0 HG22 VAL A 160 -3.288 2.574 11.108 1.00 70.51 H new ATOM 0 HG23 VAL A 160 -3.456 3.853 9.881 1.00 70.51 H new ATOM 2500 N ARG A 161 -7.910 3.950 9.986 1.00 24.53 N ATOM 2501 CA ARG A 161 -9.337 4.239 10.095 1.00 44.03 C ATOM 2502 C ARG A 161 -10.172 3.128 9.464 1.00 4.01 C ATOM 2503 O ARG A 161 -11.210 2.739 10.000 1.00 4.35 O ATOM 2504 CB ARG A 161 -9.659 5.576 9.424 1.00 12.11 C ATOM 2505 CG ARG A 161 -8.993 6.768 10.093 1.00 2.25 C ATOM 2506 CD ARG A 161 -8.591 7.824 9.076 1.00 60.41 C ATOM 2507 NE ARG A 161 -7.474 8.639 9.546 1.00 71.11 N ATOM 2508 CZ ARG A 161 -7.585 9.583 10.478 1.00 71.52 C ATOM 2509 NH1 ARG A 161 -8.760 9.833 11.042 1.00 72.43 N ATOM 2510 NH2 ARG A 161 -6.518 10.278 10.848 1.00 72.12 N ATOM 0 H ARG A 161 -7.359 4.701 9.570 1.00 24.53 H new ATOM 0 HA ARG A 161 -9.588 4.299 11.154 1.00 44.03 H new ATOM 0 HB2 ARG A 161 -9.347 5.534 8.381 1.00 12.11 H new ATOM 0 HB3 ARG A 161 -10.739 5.724 9.428 1.00 12.11 H new ATOM 0 HG2 ARG A 161 -9.675 7.205 10.823 1.00 2.25 H new ATOM 0 HG3 ARG A 161 -8.111 6.434 10.640 1.00 2.25 H new ATOM 0 HD2 ARG A 161 -8.317 7.339 8.139 1.00 60.41 H new ATOM 0 HD3 ARG A 161 -9.445 8.467 8.864 1.00 60.41 H new ATOM 0 HE ARG A 161 -6.555 8.475 9.136 1.00 71.11 H new ATOM 0 HH11 ARG A 161 -9.584 9.301 10.762 1.00 72.43 H new ATOM 0 HH12 ARG A 161 -8.839 10.557 11.756 1.00 72.43 H new ATOM 0 HH21 ARG A 161 -5.612 10.089 10.418 1.00 72.12 H new ATOM 0 HH22 ARG A 161 -6.603 11.001 11.562 1.00 72.12 H new ATOM 2524 N GLU A 162 -9.712 2.622 8.325 1.00 3.11 N ATOM 2525 CA GLU A 162 -10.418 1.556 7.623 1.00 14.21 C ATOM 2526 C GLU A 162 -10.532 0.311 8.497 1.00 31.44 C ATOM 2527 O GLU A 162 -11.610 -0.267 8.634 1.00 32.15 O ATOM 2528 CB GLU A 162 -9.698 1.215 6.316 1.00 0.35 C ATOM 2529 CG GLU A 162 -10.283 1.913 5.100 1.00 3.34 C ATOM 2530 CD GLU A 162 -11.553 1.250 4.602 1.00 71.30 C ATOM 2531 OE1 GLU A 162 -11.485 0.076 4.182 1.00 73.41 O ATOM 2532 OE2 GLU A 162 -12.616 1.905 4.633 1.00 4.33 O ATOM 0 H GLU A 162 -8.854 2.932 7.868 1.00 3.11 H new ATOM 0 HA GLU A 162 -11.424 1.908 7.394 1.00 14.21 H new ATOM 0 HB2 GLU A 162 -8.646 1.486 6.409 1.00 0.35 H new ATOM 0 HB3 GLU A 162 -9.737 0.137 6.160 1.00 0.35 H new ATOM 0 HG2 GLU A 162 -10.494 2.953 5.349 1.00 3.34 H new ATOM 0 HG3 GLU A 162 -9.543 1.921 4.299 1.00 3.34 H new ATOM 2539 N ILE A 163 -9.413 -0.098 9.086 1.00 52.12 N ATOM 2540 CA ILE A 163 -9.383 -1.269 9.944 1.00 44.32 C ATOM 2541 C ILE A 163 -10.220 -1.053 11.202 1.00 5.32 C ATOM 2542 O ILE A 163 -10.986 -1.928 11.607 1.00 73.31 O ATOM 2543 CB ILE A 163 -7.939 -1.618 10.341 1.00 65.03 C ATOM 2544 CG1 ILE A 163 -7.102 -1.891 9.089 1.00 60.42 C ATOM 2545 CG2 ILE A 163 -7.920 -2.817 11.271 1.00 63.31 C ATOM 2546 CD1 ILE A 163 -5.710 -2.402 9.387 1.00 65.13 C ATOM 0 H ILE A 163 -8.512 0.369 8.982 1.00 52.12 H new ATOM 0 HA ILE A 163 -9.809 -2.098 9.379 1.00 44.32 H new ATOM 0 HB ILE A 163 -7.505 -0.770 10.871 1.00 65.03 H new ATOM 0 HG12 ILE A 163 -7.622 -2.620 8.467 1.00 60.42 H new ATOM 0 HG13 ILE A 163 -7.025 -0.973 8.507 1.00 60.42 H new ATOM 0 HG21 ILE A 163 -6.891 -3.051 11.542 1.00 63.31 H new ATOM 0 HG22 ILE A 163 -8.490 -2.588 12.172 1.00 63.31 H new ATOM 0 HG23 ILE A 163 -8.366 -3.675 10.768 1.00 63.31 H new ATOM 0 HD11 ILE A 163 -5.177 -2.573 8.452 1.00 65.13 H new ATOM 0 HD12 ILE A 163 -5.171 -1.665 9.982 1.00 65.13 H new ATOM 0 HD13 ILE A 163 -5.777 -3.338 9.942 1.00 65.13 H new ATOM 2558 N ARG A 164 -10.071 0.118 11.817 1.00 73.24 N ATOM 2559 CA ARG A 164 -10.814 0.447 13.030 1.00 64.52 C ATOM 2560 C ARG A 164 -12.307 0.190 12.846 1.00 74.42 C ATOM 2561 O ARG A 164 -12.940 -0.468 13.671 1.00 33.04 O ATOM 2562 CB ARG A 164 -10.582 1.910 13.412 1.00 31.34 C ATOM 2563 CG ARG A 164 -9.150 2.213 13.819 1.00 40.04 C ATOM 2564 CD ARG A 164 -9.090 3.281 14.898 1.00 63.40 C ATOM 2565 NE ARG A 164 -8.607 4.559 14.379 1.00 71.24 N ATOM 2566 CZ ARG A 164 -9.372 5.432 13.725 1.00 34.34 C ATOM 2567 NH1 ARG A 164 -10.655 5.171 13.509 1.00 32.34 N ATOM 2568 NH2 ARG A 164 -8.851 6.569 13.286 1.00 24.32 N ATOM 0 H ARG A 164 -9.443 0.854 11.495 1.00 73.24 H new ATOM 0 HA ARG A 164 -10.451 -0.196 13.832 1.00 64.52 H new ATOM 0 HB2 ARG A 164 -10.853 2.544 12.568 1.00 31.34 H new ATOM 0 HB3 ARG A 164 -11.248 2.172 14.234 1.00 31.34 H new ATOM 0 HG2 ARG A 164 -8.673 1.302 14.181 1.00 40.04 H new ATOM 0 HG3 ARG A 164 -8.585 2.543 12.947 1.00 40.04 H new ATOM 0 HD2 ARG A 164 -10.082 3.417 15.329 1.00 63.40 H new ATOM 0 HD3 ARG A 164 -8.436 2.946 15.703 1.00 63.40 H new ATOM 0 HE ARG A 164 -7.626 4.797 14.526 1.00 71.24 H new ATOM 0 HH11 ARG A 164 -11.061 4.298 13.844 1.00 32.34 H new ATOM 0 HH12 ARG A 164 -11.235 5.844 13.008 1.00 32.34 H new ATOM 0 HH21 ARG A 164 -7.865 6.775 13.449 1.00 24.32 H new ATOM 0 HH22 ARG A 164 -9.436 7.238 12.785 1.00 24.32 H new ATOM 2582 N GLN A 165 -12.861 0.711 11.756 1.00 2.14 N ATOM 2583 CA GLN A 165 -14.278 0.535 11.462 1.00 51.20 C ATOM 2584 C GLN A 165 -14.547 -0.851 10.885 1.00 53.11 C ATOM 2585 O GLN A 165 -15.644 -1.392 11.029 1.00 4.24 O ATOM 2586 CB GLN A 165 -14.754 1.609 10.482 1.00 62.42 C ATOM 2587 CG GLN A 165 -14.046 1.563 9.137 1.00 44.43 C ATOM 2588 CD GLN A 165 -14.962 1.924 7.984 1.00 75.31 C ATOM 2589 OE1 GLN A 165 -15.107 3.095 7.635 1.00 30.35 O ATOM 2590 NE2 GLN A 165 -15.586 0.915 7.386 1.00 41.15 N ATOM 0 H GLN A 165 -12.351 1.258 11.063 1.00 2.14 H new ATOM 0 HA GLN A 165 -14.832 0.633 12.396 1.00 51.20 H new ATOM 0 HB2 GLN A 165 -15.826 1.494 10.323 1.00 62.42 H new ATOM 0 HB3 GLN A 165 -14.602 2.591 10.930 1.00 62.42 H new ATOM 0 HG2 GLN A 165 -13.199 2.249 9.152 1.00 44.43 H new ATOM 0 HG3 GLN A 165 -13.643 0.563 8.977 1.00 44.43 H new ATOM 0 HE21 GLN A 165 -15.436 -0.041 7.709 1.00 41.15 H new ATOM 0 HE22 GLN A 165 -16.215 1.096 6.604 1.00 41.15 H new ATOM 2599 N HIS A 166 -13.539 -1.423 10.232 1.00 31.01 N ATOM 2600 CA HIS A 166 -13.669 -2.747 9.634 1.00 74.32 C ATOM 2601 C HIS A 166 -12.646 -3.713 10.227 1.00 13.41 C ATOM 2602 O HIS A 166 -12.981 -4.392 11.219 1.00 64.45 O ATOM 2603 CB HIS A 166 -13.494 -2.662 8.116 1.00 2.43 C ATOM 2604 CG HIS A 166 -14.693 -3.127 7.350 1.00 41.22 C ATOM 2605 ND1 HIS A 166 -15.523 -4.137 7.789 1.00 2.45 N ATOM 2606 CD2 HIS A 166 -15.203 -2.713 6.165 1.00 35.00 C ATOM 2607 CE1 HIS A 166 -16.489 -4.325 6.908 1.00 13.41 C ATOM 2608 NE2 HIS A 166 -16.318 -3.473 5.914 1.00 54.34 N ATOM 2609 OXT HIS A 166 -11.520 -3.782 9.692 1.00 21.00 O ATOM 0 H HIS A 166 -12.624 -0.990 10.104 1.00 31.01 H new ATOM 0 HA HIS A 166 -14.667 -3.125 9.855 1.00 74.32 H new ATOM 0 HB2 HIS A 166 -13.274 -1.630 7.841 1.00 2.43 H new ATOM 0 HB3 HIS A 166 -12.631 -3.261 7.824 1.00 2.43 H new ATOM 0 HD1 HIS A 166 -15.409 -4.658 8.659 1.00 2.45 H new ATOM 0 HD2 HIS A 166 -14.806 -1.931 5.535 1.00 35.00 H new ATOM 0 HE1 HIS A 166 -17.284 -5.052 6.987 1.00 13.41 H new