USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1082 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 16 SER OG : rot -23:sc= 0.588 USER MOD Set 1.2: A 131 HIS : no HE2:sc= 0.383 K(o=0.97,f=-4.4!) USER MOD Set 2.1: A 118 GLN : amide:sc= 0.279 K(o=1,f=-2.4) USER MOD Set 2.2: A 121 LYS NZ :NH3+ 175:sc= 0.762 (180deg=0) USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= -0.0797 USER MOD Set 3.2: A 56 GLN : amide:sc= 0.157 X(o=0.077,f=-0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.25 (180deg=0.957) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0123) USER MOD Single : A 3 LYS NZ :NH3+ -138:sc= 0.19 (180deg=-0.742) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -0.491 K(o=-0.49,f=-3.1!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot -58:sc= 0.653 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0 (180deg=-5.67e-05) USER MOD Single : A 18 ASN : amide:sc= -0.422 K(o=-0.42,f=-3.5!) USER MOD Single : A 22 SER OG : rot -26:sc= 0.0707 USER MOD Single : A 25 SER OG : rot -84:sc= 0.732 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= 0.685 (180deg=0.37) USER MOD Single : A 40 SER OG : rot 180:sc=-0.000746 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0945 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 110:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0.713 K(o=0.71,f=-2.6!) USER MOD Single : A 77 ASN : amide:sc=-0.00151 K(o=-0.0015,f=-2.1) USER MOD Single : A 81 TYR OH : rot 5:sc= 0.0797 USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= 1.22 (180deg=0.398) USER MOD Single : A 86 MET CE :methyl -138:sc= -0.773 (180deg=-5.83!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.0131 F(o=-1.8!,f=-0.013) USER MOD Single : A 92 THR OG1 : rot -28:sc= 0.609 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.024 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 97:sc= 0.229 USER MOD Single : A 112 LYS NZ :NH3+ 134:sc= 0.917 (180deg=0.0286) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -98:sc= 0.696 USER MOD Single : A 126 CYS SG : rot -41:sc= -0.0615 USER MOD Single : A 132 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=-0.42) USER MOD Single : A 133 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.46) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.412 25.285 -5.496 1.00 32.43 N ATOM 2 CA MET A 1 -5.304 23.803 -5.484 1.00 43.04 C ATOM 3 C MET A 1 -3.961 23.351 -4.850 1.00 21.22 C ATOM 4 O MET A 1 -2.891 23.533 -5.446 1.00 5.44 O ATOM 5 CB MET A 1 -5.467 23.228 -6.922 1.00 64.04 C ATOM 6 CG MET A 1 -6.897 23.310 -7.494 1.00 42.51 C ATOM 7 SD MET A 1 -7.534 24.996 -7.600 1.00 31.50 S ATOM 8 CE MET A 1 -9.151 24.727 -8.336 1.00 21.10 C ATOM 0 H1 MET A 1 -6.056 25.580 -6.258 1.00 32.43 H new ATOM 0 H2 MET A 1 -5.784 25.613 -4.582 1.00 32.43 H new ATOM 0 H3 MET A 1 -4.472 25.700 -5.657 1.00 32.43 H new ATOM 0 HA MET A 1 -6.112 23.407 -4.869 1.00 43.04 H new ATOM 0 HB2 MET A 1 -4.792 23.763 -7.590 1.00 64.04 H new ATOM 0 HB3 MET A 1 -5.152 22.185 -6.919 1.00 64.04 H new ATOM 0 HG2 MET A 1 -6.909 22.862 -8.488 1.00 42.51 H new ATOM 0 HG3 MET A 1 -7.564 22.716 -6.869 1.00 42.51 H new ATOM 0 HE1 MET A 1 -9.658 25.684 -8.460 1.00 21.10 H new ATOM 0 HE2 MET A 1 -9.033 24.250 -9.309 1.00 21.10 H new ATOM 0 HE3 MET A 1 -9.744 24.084 -7.686 1.00 21.10 H new ATOM 20 N LYS A 2 -4.024 22.778 -3.632 1.00 62.42 N ATOM 21 CA LYS A 2 -2.844 22.210 -2.925 1.00 64.01 C ATOM 22 C LYS A 2 -3.216 20.837 -2.319 1.00 63.30 C ATOM 23 O LYS A 2 -4.301 20.677 -1.742 1.00 53.42 O ATOM 24 CB LYS A 2 -2.348 23.193 -1.825 1.00 25.31 C ATOM 25 CG LYS A 2 -1.021 22.789 -1.135 1.00 65.50 C ATOM 26 CD LYS A 2 -0.542 23.832 -0.095 1.00 30.53 C ATOM 27 CE LYS A 2 0.797 23.449 0.567 1.00 0.24 C ATOM 28 NZ LYS A 2 0.703 22.186 1.356 1.00 74.12 N ATOM 0 H LYS A 2 -4.893 22.693 -3.104 1.00 62.42 H new ATOM 0 HA LYS A 2 -2.030 22.067 -3.635 1.00 64.01 H new ATOM 0 HB2 LYS A 2 -2.222 24.180 -2.271 1.00 25.31 H new ATOM 0 HB3 LYS A 2 -3.123 23.283 -1.064 1.00 25.31 H new ATOM 0 HG2 LYS A 2 -1.152 21.826 -0.642 1.00 65.50 H new ATOM 0 HG3 LYS A 2 -0.249 22.657 -1.893 1.00 65.50 H new ATOM 0 HD2 LYS A 2 -0.436 24.801 -0.582 1.00 30.53 H new ATOM 0 HD3 LYS A 2 -1.304 23.944 0.676 1.00 30.53 H new ATOM 0 HE2 LYS A 2 1.560 23.337 -0.203 1.00 0.24 H new ATOM 0 HE3 LYS A 2 1.120 24.259 1.221 1.00 0.24 H new ATOM 0 HZ1 LYS A 2 1.614 21.999 1.822 1.00 74.12 H new ATOM 0 HZ2 LYS A 2 -0.041 22.281 2.076 1.00 74.12 H new ATOM 0 HZ3 LYS A 2 0.471 21.396 0.721 1.00 74.12 H new ATOM 42 N LYS A 3 -2.316 19.847 -2.457 1.00 34.33 N ATOM 43 CA LYS A 3 -2.603 18.448 -2.082 1.00 3.13 C ATOM 44 C LYS A 3 -2.233 18.109 -0.622 1.00 31.14 C ATOM 45 O LYS A 3 -1.695 18.938 0.118 1.00 34.04 O ATOM 46 CB LYS A 3 -1.883 17.469 -3.046 1.00 70.10 C ATOM 47 CG LYS A 3 -2.189 17.688 -4.552 1.00 2.14 C ATOM 48 CD LYS A 3 -2.132 16.381 -5.377 1.00 40.33 C ATOM 49 CE LYS A 3 -0.823 15.592 -5.193 1.00 3.41 C ATOM 50 NZ LYS A 3 -0.818 14.334 -5.983 1.00 35.50 N ATOM 0 H LYS A 3 -1.377 19.990 -2.828 1.00 34.33 H new ATOM 0 HA LYS A 3 -3.683 18.332 -2.167 1.00 3.13 H new ATOM 0 HB2 LYS A 3 -0.807 17.557 -2.893 1.00 70.10 H new ATOM 0 HB3 LYS A 3 -2.161 16.449 -2.779 1.00 70.10 H new ATOM 0 HG2 LYS A 3 -3.179 18.133 -4.655 1.00 2.14 H new ATOM 0 HG3 LYS A 3 -1.474 18.401 -4.962 1.00 2.14 H new ATOM 0 HD2 LYS A 3 -2.972 15.746 -5.094 1.00 40.33 H new ATOM 0 HD3 LYS A 3 -2.256 16.622 -6.433 1.00 40.33 H new ATOM 0 HE2 LYS A 3 0.021 16.213 -5.494 1.00 3.41 H new ATOM 0 HE3 LYS A 3 -0.686 15.358 -4.137 1.00 3.41 H new ATOM 0 HZ1 LYS A 3 -0.414 13.566 -5.410 1.00 35.50 H new ATOM 0 HZ2 LYS A 3 -1.792 14.090 -6.253 1.00 35.50 H new ATOM 0 HZ3 LYS A 3 -0.244 14.465 -6.840 1.00 35.50 H new ATOM 64 N GLU A 4 -2.535 16.857 -0.242 1.00 14.20 N ATOM 65 CA GLU A 4 -2.219 16.286 1.080 1.00 15.34 C ATOM 66 C GLU A 4 -1.638 14.859 0.925 1.00 1.22 C ATOM 67 O GLU A 4 -2.171 14.036 0.166 1.00 24.42 O ATOM 68 CB GLU A 4 -3.503 16.239 1.965 1.00 14.32 C ATOM 69 CG GLU A 4 -3.303 15.554 3.335 1.00 55.40 C ATOM 70 CD GLU A 4 -4.572 15.501 4.203 1.00 61.11 C ATOM 71 OE1 GLU A 4 -5.344 14.519 4.102 1.00 54.54 O ATOM 72 OE2 GLU A 4 -4.791 16.433 5.010 1.00 53.43 O ATOM 0 H GLU A 4 -3.015 16.199 -0.856 1.00 14.20 H new ATOM 0 HA GLU A 4 -1.475 16.920 1.563 1.00 15.34 H new ATOM 0 HB2 GLU A 4 -3.855 17.257 2.129 1.00 14.32 H new ATOM 0 HB3 GLU A 4 -4.287 15.714 1.420 1.00 14.32 H new ATOM 0 HG2 GLU A 4 -2.945 14.538 3.172 1.00 55.40 H new ATOM 0 HG3 GLU A 4 -2.523 16.083 3.883 1.00 55.40 H new ATOM 79 N LYS A 5 -0.530 14.585 1.633 1.00 44.11 N ATOM 80 CA LYS A 5 -0.044 13.211 1.851 1.00 11.43 C ATOM 81 C LYS A 5 -0.859 12.567 2.996 1.00 72.34 C ATOM 82 O LYS A 5 -1.012 13.173 4.064 1.00 40.01 O ATOM 83 CB LYS A 5 1.455 13.219 2.215 1.00 45.13 C ATOM 84 CG LYS A 5 2.058 11.812 2.443 1.00 75.42 C ATOM 85 CD LYS A 5 3.514 11.861 2.951 1.00 10.20 C ATOM 86 CE LYS A 5 3.643 12.423 4.382 1.00 42.25 C ATOM 87 NZ LYS A 5 5.057 12.708 4.736 1.00 33.42 N ATOM 0 H LYS A 5 0.050 15.302 2.067 1.00 44.11 H new ATOM 0 HA LYS A 5 -0.171 12.635 0.935 1.00 11.43 H new ATOM 0 HB2 LYS A 5 2.009 13.715 1.418 1.00 45.13 H new ATOM 0 HB3 LYS A 5 1.595 13.813 3.118 1.00 45.13 H new ATOM 0 HG2 LYS A 5 1.445 11.271 3.164 1.00 75.42 H new ATOM 0 HG3 LYS A 5 2.022 11.251 1.509 1.00 75.42 H new ATOM 0 HD2 LYS A 5 3.935 10.856 2.924 1.00 10.20 H new ATOM 0 HD3 LYS A 5 4.108 12.474 2.273 1.00 10.20 H new ATOM 0 HE2 LYS A 5 3.055 13.337 4.468 1.00 42.25 H new ATOM 0 HE3 LYS A 5 3.227 11.708 5.092 1.00 42.25 H new ATOM 0 HZ1 LYS A 5 5.103 13.084 5.705 1.00 33.42 H new ATOM 0 HZ2 LYS A 5 5.613 11.831 4.678 1.00 33.42 H new ATOM 0 HZ3 LYS A 5 5.446 13.409 4.074 1.00 33.42 H new ATOM 101 N ILE A 6 -1.346 11.332 2.790 1.00 31.23 N ATOM 102 CA ILE A 6 -2.240 10.647 3.749 1.00 54.54 C ATOM 103 C ILE A 6 -1.504 9.424 4.360 1.00 11.33 C ATOM 104 O ILE A 6 -1.088 8.497 3.650 1.00 51.14 O ATOM 105 CB ILE A 6 -3.642 10.255 3.097 1.00 43.43 C ATOM 106 CG1 ILE A 6 -3.535 9.052 2.103 1.00 63.40 C ATOM 107 CG2 ILE A 6 -4.279 11.488 2.398 1.00 41.11 C ATOM 108 CD1 ILE A 6 -4.838 8.630 1.442 1.00 61.22 C ATOM 0 H ILE A 6 -1.135 10.779 1.959 1.00 31.23 H new ATOM 0 HA ILE A 6 -2.482 11.340 4.555 1.00 54.54 H new ATOM 0 HB ILE A 6 -4.289 9.930 3.912 1.00 43.43 H new ATOM 0 HG12 ILE A 6 -2.819 9.311 1.323 1.00 63.40 H new ATOM 0 HG13 ILE A 6 -3.126 8.196 2.639 1.00 63.40 H new ATOM 0 HG21 ILE A 6 -5.235 11.203 1.958 1.00 41.11 H new ATOM 0 HG22 ILE A 6 -4.438 12.280 3.130 1.00 41.11 H new ATOM 0 HG23 ILE A 6 -3.612 11.847 1.614 1.00 41.11 H new ATOM 0 HD11 ILE A 6 -4.651 7.789 0.774 1.00 61.22 H new ATOM 0 HD12 ILE A 6 -5.555 8.333 2.208 1.00 61.22 H new ATOM 0 HD13 ILE A 6 -5.243 9.465 0.870 1.00 61.22 H new ATOM 120 N HIS A 7 -1.221 9.488 5.672 1.00 43.33 N ATOM 121 CA HIS A 7 -0.649 8.350 6.425 1.00 21.32 C ATOM 122 C HIS A 7 -1.781 7.555 7.128 1.00 61.24 C ATOM 123 O HIS A 7 -2.475 8.086 7.991 1.00 20.31 O ATOM 124 CB HIS A 7 0.399 8.878 7.440 1.00 30.32 C ATOM 125 CG HIS A 7 1.319 7.826 8.008 1.00 42.33 C ATOM 126 ND1 HIS A 7 1.202 7.327 9.280 1.00 33.40 N ATOM 127 CD2 HIS A 7 2.401 7.210 7.471 1.00 34.41 C ATOM 128 CE1 HIS A 7 2.160 6.465 9.514 1.00 25.11 C ATOM 129 NE2 HIS A 7 2.901 6.363 8.435 1.00 40.31 N ATOM 0 H HIS A 7 -1.379 10.321 6.240 1.00 43.33 H new ATOM 0 HA HIS A 7 -0.145 7.667 5.741 1.00 21.32 H new ATOM 0 HB2 HIS A 7 1.003 9.643 6.952 1.00 30.32 H new ATOM 0 HB3 HIS A 7 -0.126 9.363 8.263 1.00 30.32 H new ATOM 0 HD1 HIS A 7 0.475 7.589 9.946 1.00 33.40 H new ATOM 0 HD2 HIS A 7 2.796 7.356 6.476 1.00 34.41 H new ATOM 0 HE1 HIS A 7 2.314 5.929 10.439 1.00 25.11 H new ATOM 138 N LEU A 8 -1.986 6.295 6.699 1.00 3.12 N ATOM 139 CA LEU A 8 -3.067 5.398 7.213 1.00 11.12 C ATOM 140 C LEU A 8 -2.464 4.251 8.077 1.00 70.24 C ATOM 141 O LEU A 8 -1.646 3.494 7.570 1.00 52.40 O ATOM 142 CB LEU A 8 -3.867 4.796 6.008 1.00 12.14 C ATOM 143 CG LEU A 8 -5.020 5.662 5.393 1.00 15.11 C ATOM 144 CD1 LEU A 8 -4.584 7.094 5.052 1.00 14.01 C ATOM 145 CD2 LEU A 8 -5.629 4.954 4.165 1.00 13.35 C ATOM 0 H LEU A 8 -1.408 5.857 5.981 1.00 3.12 H new ATOM 0 HA LEU A 8 -3.740 5.983 7.840 1.00 11.12 H new ATOM 0 HB2 LEU A 8 -3.156 4.571 5.213 1.00 12.14 H new ATOM 0 HB3 LEU A 8 -4.296 3.847 6.331 1.00 12.14 H new ATOM 0 HG LEU A 8 -5.787 5.758 6.161 1.00 15.11 H new ATOM 0 HD11 LEU A 8 -5.428 7.641 4.630 1.00 14.01 H new ATOM 0 HD12 LEU A 8 -4.243 7.596 5.957 1.00 14.01 H new ATOM 0 HD13 LEU A 8 -3.772 7.064 4.326 1.00 14.01 H new ATOM 0 HD21 LEU A 8 -6.428 5.568 3.750 1.00 13.35 H new ATOM 0 HD22 LEU A 8 -4.856 4.805 3.411 1.00 13.35 H new ATOM 0 HD23 LEU A 8 -6.033 3.988 4.466 1.00 13.35 H new ATOM 157 N GLU A 9 -2.877 4.118 9.367 1.00 32.30 N ATOM 158 CA GLU A 9 -2.366 3.032 10.281 1.00 42.52 C ATOM 159 C GLU A 9 -3.429 1.923 10.516 1.00 73.40 C ATOM 160 O GLU A 9 -4.427 2.146 11.209 1.00 3.31 O ATOM 161 CB GLU A 9 -1.900 3.588 11.663 1.00 1.42 C ATOM 162 CG GLU A 9 -0.796 4.671 11.610 1.00 41.24 C ATOM 163 CD GLU A 9 -1.340 6.099 11.394 1.00 72.14 C ATOM 164 OE1 GLU A 9 -1.757 6.742 12.380 1.00 30.02 O ATOM 165 OE2 GLU A 9 -1.345 6.590 10.252 1.00 62.11 O ATOM 0 H GLU A 9 -3.557 4.739 9.805 1.00 32.30 H new ATOM 0 HA GLU A 9 -1.505 2.601 9.769 1.00 42.52 H new ATOM 0 HB2 GLU A 9 -2.766 4.003 12.178 1.00 1.42 H new ATOM 0 HB3 GLU A 9 -1.538 2.755 12.266 1.00 1.42 H new ATOM 0 HG2 GLU A 9 -0.228 4.645 12.540 1.00 41.24 H new ATOM 0 HG3 GLU A 9 -0.101 4.430 10.805 1.00 41.24 H new ATOM 172 N TYR A 10 -3.156 0.707 10.010 1.00 61.22 N ATOM 173 CA TYR A 10 -4.102 -0.440 10.073 1.00 33.55 C ATOM 174 C TYR A 10 -3.715 -1.380 11.237 1.00 10.20 C ATOM 175 O TYR A 10 -2.542 -1.748 11.381 1.00 14.41 O ATOM 176 CB TYR A 10 -4.083 -1.266 8.751 1.00 24.14 C ATOM 177 CG TYR A 10 -4.496 -0.529 7.462 1.00 30.11 C ATOM 178 CD1 TYR A 10 -3.766 0.565 6.983 1.00 45.12 C ATOM 179 CD2 TYR A 10 -5.597 -0.945 6.700 1.00 33.44 C ATOM 180 CE1 TYR A 10 -4.121 1.213 5.815 1.00 24.41 C ATOM 181 CE2 TYR A 10 -5.947 -0.300 5.522 1.00 44.32 C ATOM 182 CZ TYR A 10 -5.206 0.780 5.085 1.00 30.32 C ATOM 183 OH TYR A 10 -5.551 1.426 3.914 1.00 23.42 O ATOM 0 H TYR A 10 -2.276 0.484 9.545 1.00 61.22 H new ATOM 0 HA TYR A 10 -5.101 -0.032 10.226 1.00 33.55 H new ATOM 0 HB2 TYR A 10 -3.075 -1.657 8.610 1.00 24.14 H new ATOM 0 HB3 TYR A 10 -4.743 -2.124 8.878 1.00 24.14 H new ATOM 0 HD1 TYR A 10 -2.906 0.910 7.538 1.00 45.12 H new ATOM 0 HD2 TYR A 10 -6.185 -1.786 7.037 1.00 33.44 H new ATOM 0 HE1 TYR A 10 -3.546 2.061 5.474 1.00 24.41 H new ATOM 0 HE2 TYR A 10 -6.796 -0.642 4.949 1.00 44.32 H new ATOM 0 HH TYR A 10 -6.339 0.994 3.522 1.00 23.42 H new ATOM 193 N LEU A 11 -4.709 -1.760 12.057 1.00 63.01 N ATOM 194 CA LEU A 11 -4.533 -2.760 13.135 1.00 2.43 C ATOM 195 C LEU A 11 -4.830 -4.186 12.588 1.00 35.53 C ATOM 196 O LEU A 11 -5.979 -4.544 12.295 1.00 32.51 O ATOM 197 CB LEU A 11 -5.405 -2.418 14.404 1.00 21.32 C ATOM 198 CG LEU A 11 -6.980 -2.399 14.268 1.00 1.24 C ATOM 199 CD1 LEU A 11 -7.663 -2.412 15.653 1.00 32.35 C ATOM 200 CD2 LEU A 11 -7.491 -1.195 13.435 1.00 4.23 C ATOM 0 H LEU A 11 -5.656 -1.387 11.995 1.00 63.01 H new ATOM 0 HA LEU A 11 -3.495 -2.731 13.466 1.00 2.43 H new ATOM 0 HB2 LEU A 11 -5.150 -3.138 15.182 1.00 21.32 H new ATOM 0 HB3 LEU A 11 -5.094 -1.437 14.763 1.00 21.32 H new ATOM 0 HG LEU A 11 -7.250 -3.309 13.732 1.00 1.24 H new ATOM 0 HD11 LEU A 11 -8.745 -2.398 15.525 1.00 32.35 H new ATOM 0 HD12 LEU A 11 -7.373 -3.313 16.193 1.00 32.35 H new ATOM 0 HD13 LEU A 11 -7.354 -1.534 16.220 1.00 32.35 H new ATOM 0 HD21 LEU A 11 -8.579 -1.231 13.373 1.00 4.23 H new ATOM 0 HD22 LEU A 11 -7.185 -0.265 13.914 1.00 4.23 H new ATOM 0 HD23 LEU A 11 -7.069 -1.242 12.431 1.00 4.23 H new ATOM 212 N LEU A 12 -3.768 -4.996 12.397 1.00 45.12 N ATOM 213 CA LEU A 12 -3.902 -6.390 11.873 1.00 2.04 C ATOM 214 C LEU A 12 -3.080 -7.370 12.751 1.00 41.23 C ATOM 215 O LEU A 12 -1.882 -7.179 12.950 1.00 74.45 O ATOM 216 CB LEU A 12 -3.460 -6.442 10.363 1.00 15.22 C ATOM 217 CG LEU A 12 -4.071 -7.583 9.466 1.00 40.23 C ATOM 218 CD1 LEU A 12 -3.545 -8.989 9.833 1.00 23.22 C ATOM 219 CD2 LEU A 12 -5.619 -7.538 9.488 1.00 72.01 C ATOM 0 H LEU A 12 -2.807 -4.718 12.594 1.00 45.12 H new ATOM 0 HA LEU A 12 -4.946 -6.700 11.923 1.00 2.04 H new ATOM 0 HB2 LEU A 12 -3.710 -5.485 9.906 1.00 15.22 H new ATOM 0 HB3 LEU A 12 -2.374 -6.536 10.333 1.00 15.22 H new ATOM 0 HG LEU A 12 -3.735 -7.389 8.447 1.00 40.23 H new ATOM 0 HD11 LEU A 12 -4.003 -9.731 9.179 1.00 23.22 H new ATOM 0 HD12 LEU A 12 -2.462 -9.016 9.710 1.00 23.22 H new ATOM 0 HD13 LEU A 12 -3.798 -9.213 10.869 1.00 23.22 H new ATOM 0 HD21 LEU A 12 -6.015 -8.336 8.861 1.00 72.01 H new ATOM 0 HD22 LEU A 12 -5.972 -7.671 10.511 1.00 72.01 H new ATOM 0 HD23 LEU A 12 -5.960 -6.575 9.108 1.00 72.01 H new ATOM 231 N ASN A 13 -3.752 -8.427 13.258 1.00 55.53 N ATOM 232 CA ASN A 13 -3.141 -9.456 14.146 1.00 41.13 C ATOM 233 C ASN A 13 -3.783 -10.847 13.919 1.00 33.53 C ATOM 234 O ASN A 13 -4.967 -10.936 13.558 1.00 45.22 O ATOM 235 CB ASN A 13 -3.268 -9.034 15.634 1.00 30.42 C ATOM 236 CG ASN A 13 -4.682 -8.581 16.010 1.00 40.23 C ATOM 237 OD1 ASN A 13 -5.521 -9.379 16.404 1.00 64.32 O ATOM 238 ND2 ASN A 13 -4.961 -7.300 15.868 1.00 75.32 N ATOM 0 H ASN A 13 -4.739 -8.596 13.065 1.00 55.53 H new ATOM 0 HA ASN A 13 -2.083 -9.531 13.894 1.00 41.13 H new ATOM 0 HB2 ASN A 13 -2.980 -9.872 16.269 1.00 30.42 H new ATOM 0 HB3 ASN A 13 -2.567 -8.224 15.837 1.00 30.42 H new ATOM 0 HD21 ASN A 13 -5.895 -6.954 16.089 1.00 75.32 H new ATOM 0 HD22 ASN A 13 -4.243 -6.655 15.538 1.00 75.32 H new ATOM 245 N ALA A 14 -2.963 -11.914 14.136 1.00 64.14 N ATOM 246 CA ALA A 14 -3.331 -13.360 14.008 1.00 34.32 C ATOM 247 C ALA A 14 -3.504 -13.830 12.534 1.00 60.54 C ATOM 248 O ALA A 14 -2.874 -14.808 12.105 1.00 25.23 O ATOM 249 CB ALA A 14 -4.576 -13.721 14.846 1.00 53.41 C ATOM 0 H ALA A 14 -1.990 -11.789 14.416 1.00 64.14 H new ATOM 0 HA ALA A 14 -2.478 -13.905 14.412 1.00 34.32 H new ATOM 0 HB1 ALA A 14 -4.804 -14.780 14.721 1.00 53.41 H new ATOM 0 HB2 ALA A 14 -4.379 -13.514 15.898 1.00 53.41 H new ATOM 0 HB3 ALA A 14 -5.425 -13.125 14.512 1.00 53.41 H new ATOM 255 N THR A 15 -4.369 -13.113 11.793 1.00 23.23 N ATOM 256 CA THR A 15 -4.751 -13.398 10.389 1.00 32.34 C ATOM 257 C THR A 15 -3.536 -13.627 9.453 1.00 35.22 C ATOM 258 O THR A 15 -3.327 -14.740 8.953 1.00 44.11 O ATOM 259 CB THR A 15 -5.616 -12.210 9.841 1.00 32.12 C ATOM 260 OG1 THR A 15 -6.717 -11.964 10.729 1.00 53.41 O ATOM 261 CG2 THR A 15 -6.152 -12.467 8.417 1.00 12.44 C ATOM 0 H THR A 15 -4.841 -12.289 12.165 1.00 23.23 H new ATOM 0 HA THR A 15 -5.319 -14.328 10.396 1.00 32.34 H new ATOM 0 HB THR A 15 -4.964 -11.338 9.789 1.00 32.12 H new ATOM 0 HG1 THR A 15 -7.259 -12.776 10.810 1.00 53.41 H new ATOM 0 HG21 THR A 15 -6.743 -11.611 8.091 1.00 12.44 H new ATOM 0 HG22 THR A 15 -5.315 -12.612 7.734 1.00 12.44 H new ATOM 0 HG23 THR A 15 -6.777 -13.360 8.419 1.00 12.44 H new ATOM 269 N SER A 16 -2.741 -12.564 9.231 1.00 41.44 N ATOM 270 CA SER A 16 -1.577 -12.590 8.308 1.00 31.13 C ATOM 271 C SER A 16 -0.455 -11.669 8.820 1.00 3.41 C ATOM 272 O SER A 16 -0.669 -10.845 9.720 1.00 2.41 O ATOM 273 CB SER A 16 -1.996 -12.158 6.881 1.00 5.23 C ATOM 274 OG SER A 16 -3.013 -12.991 6.353 1.00 30.13 O ATOM 0 H SER A 16 -2.882 -11.661 9.683 1.00 41.44 H new ATOM 0 HA SER A 16 -1.205 -13.614 8.271 1.00 31.13 H new ATOM 0 HB2 SER A 16 -2.347 -11.126 6.903 1.00 5.23 H new ATOM 0 HB3 SER A 16 -1.127 -12.185 6.224 1.00 5.23 H new ATOM 0 HG SER A 16 -2.989 -13.862 6.802 1.00 30.13 H new ATOM 280 N LYS A 17 0.741 -11.822 8.229 1.00 3.22 N ATOM 281 CA LYS A 17 1.953 -11.065 8.626 1.00 72.12 C ATOM 282 C LYS A 17 2.331 -10.031 7.539 1.00 40.54 C ATOM 283 O LYS A 17 1.463 -9.590 6.788 1.00 53.23 O ATOM 284 CB LYS A 17 3.100 -12.077 8.933 1.00 52.21 C ATOM 285 CG LYS A 17 2.716 -13.147 9.986 1.00 11.01 C ATOM 286 CD LYS A 17 2.219 -12.529 11.325 1.00 61.23 C ATOM 287 CE LYS A 17 1.517 -13.553 12.231 1.00 43.34 C ATOM 288 NZ LYS A 17 2.405 -14.672 12.620 1.00 22.15 N ATOM 0 H LYS A 17 0.901 -12.473 7.461 1.00 3.22 H new ATOM 0 HA LYS A 17 1.763 -10.490 9.532 1.00 72.12 H new ATOM 0 HB2 LYS A 17 3.390 -12.576 8.009 1.00 52.21 H new ATOM 0 HB3 LYS A 17 3.973 -11.528 9.286 1.00 52.21 H new ATOM 0 HG2 LYS A 17 1.936 -13.789 9.576 1.00 11.01 H new ATOM 0 HG3 LYS A 17 3.580 -13.782 10.183 1.00 11.01 H new ATOM 0 HD2 LYS A 17 3.067 -12.100 11.859 1.00 61.23 H new ATOM 0 HD3 LYS A 17 1.532 -11.711 11.109 1.00 61.23 H new ATOM 0 HE2 LYS A 17 1.156 -13.051 13.129 1.00 43.34 H new ATOM 0 HE3 LYS A 17 0.643 -13.950 11.715 1.00 43.34 H new ATOM 0 HZ1 LYS A 17 1.888 -15.324 13.244 1.00 22.15 H new ATOM 0 HZ2 LYS A 17 2.716 -15.181 11.768 1.00 22.15 H new ATOM 0 HZ3 LYS A 17 3.235 -14.298 13.122 1.00 22.15 H new ATOM 302 N ASN A 18 3.624 -9.649 7.464 1.00 15.01 N ATOM 303 CA ASN A 18 4.140 -8.616 6.519 1.00 72.45 C ATOM 304 C ASN A 18 3.670 -8.818 5.045 1.00 14.04 C ATOM 305 O ASN A 18 3.446 -7.843 4.329 1.00 61.11 O ATOM 306 CB ASN A 18 5.693 -8.587 6.583 1.00 41.05 C ATOM 307 CG ASN A 18 6.351 -9.934 6.237 1.00 50.34 C ATOM 308 OD1 ASN A 18 5.800 -11.004 6.485 1.00 3.01 O ATOM 309 ND2 ASN A 18 7.533 -9.898 5.659 1.00 3.32 N ATOM 0 H ASN A 18 4.350 -10.047 8.059 1.00 15.01 H new ATOM 0 HA ASN A 18 3.722 -7.662 6.840 1.00 72.45 H new ATOM 0 HB2 ASN A 18 6.062 -7.825 5.896 1.00 41.05 H new ATOM 0 HB3 ASN A 18 6.001 -8.289 7.585 1.00 41.05 H new ATOM 0 HD21 ASN A 18 8.006 -10.767 5.410 1.00 3.32 H new ATOM 0 HD22 ASN A 18 7.976 -9.001 5.460 1.00 3.32 H new ATOM 316 N ILE A 19 3.480 -10.088 4.637 1.00 23.21 N ATOM 317 CA ILE A 19 3.087 -10.495 3.253 1.00 44.15 C ATOM 318 C ILE A 19 1.792 -9.797 2.726 1.00 12.34 C ATOM 319 O ILE A 19 1.597 -9.726 1.507 1.00 71.12 O ATOM 320 CB ILE A 19 2.964 -12.069 3.188 1.00 25.34 C ATOM 321 CG1 ILE A 19 4.339 -12.728 3.542 1.00 5.43 C ATOM 322 CG2 ILE A 19 2.457 -12.590 1.816 1.00 14.22 C ATOM 323 CD1 ILE A 19 5.476 -12.357 2.592 1.00 41.41 C ATOM 0 H ILE A 19 3.595 -10.883 5.265 1.00 23.21 H new ATOM 0 HA ILE A 19 3.876 -10.155 2.582 1.00 44.15 H new ATOM 0 HB ILE A 19 2.212 -12.355 3.924 1.00 25.34 H new ATOM 0 HG12 ILE A 19 4.618 -12.438 4.555 1.00 5.43 H new ATOM 0 HG13 ILE A 19 4.220 -13.812 3.542 1.00 5.43 H new ATOM 0 HG21 ILE A 19 2.396 -13.678 1.840 1.00 14.22 H new ATOM 0 HG22 ILE A 19 1.470 -12.175 1.612 1.00 14.22 H new ATOM 0 HG23 ILE A 19 3.149 -12.283 1.032 1.00 14.22 H new ATOM 0 HD11 ILE A 19 6.392 -12.856 2.909 1.00 41.41 H new ATOM 0 HD12 ILE A 19 5.222 -12.673 1.580 1.00 41.41 H new ATOM 0 HD13 ILE A 19 5.626 -11.278 2.608 1.00 41.41 H new ATOM 335 N LEU A 20 0.962 -9.248 3.651 1.00 64.00 N ATOM 336 CA LEU A 20 -0.281 -8.485 3.319 1.00 53.12 C ATOM 337 C LEU A 20 -0.065 -7.528 2.114 1.00 15.32 C ATOM 338 O LEU A 20 -0.681 -7.678 1.057 1.00 40.21 O ATOM 339 CB LEU A 20 -0.712 -7.630 4.553 1.00 1.42 C ATOM 340 CG LEU A 20 -1.289 -8.398 5.782 1.00 74.53 C ATOM 341 CD1 LEU A 20 -1.229 -7.523 7.054 1.00 41.23 C ATOM 342 CD2 LEU A 20 -2.733 -8.881 5.501 1.00 13.22 C ATOM 0 H LEU A 20 1.133 -9.320 4.654 1.00 64.00 H new ATOM 0 HA LEU A 20 -1.051 -9.210 3.056 1.00 53.12 H new ATOM 0 HB2 LEU A 20 0.154 -7.058 4.887 1.00 1.42 H new ATOM 0 HB3 LEU A 20 -1.461 -6.911 4.221 1.00 1.42 H new ATOM 0 HG LEU A 20 -0.671 -9.279 5.954 1.00 74.53 H new ATOM 0 HD11 LEU A 20 -1.637 -8.079 7.898 1.00 41.23 H new ATOM 0 HD12 LEU A 20 -0.193 -7.255 7.263 1.00 41.23 H new ATOM 0 HD13 LEU A 20 -1.815 -6.617 6.900 1.00 41.23 H new ATOM 0 HD21 LEU A 20 -3.114 -9.414 6.372 1.00 13.22 H new ATOM 0 HD22 LEU A 20 -3.370 -8.021 5.294 1.00 13.22 H new ATOM 0 HD23 LEU A 20 -2.732 -9.548 4.639 1.00 13.22 H new ATOM 354 N TRP A 21 0.830 -6.548 2.312 1.00 12.22 N ATOM 355 CA TRP A 21 1.279 -5.637 1.251 1.00 43.55 C ATOM 356 C TRP A 21 2.664 -6.020 0.708 1.00 60.30 C ATOM 357 O TRP A 21 2.938 -5.739 -0.436 1.00 50.13 O ATOM 358 CB TRP A 21 1.271 -4.188 1.754 1.00 0.03 C ATOM 359 CG TRP A 21 -0.116 -3.614 1.972 1.00 61.50 C ATOM 360 CD1 TRP A 21 -0.948 -3.824 3.036 1.00 31.53 C ATOM 361 CD2 TRP A 21 -0.816 -2.719 1.096 1.00 15.54 C ATOM 362 NE1 TRP A 21 -2.103 -3.097 2.882 1.00 12.11 N ATOM 363 CE2 TRP A 21 -2.045 -2.415 1.697 1.00 61.44 C ATOM 364 CE3 TRP A 21 -0.504 -2.140 -0.137 1.00 44.15 C ATOM 365 CZ2 TRP A 21 -2.970 -1.561 1.107 1.00 32.24 C ATOM 366 CZ3 TRP A 21 -1.422 -1.290 -0.726 1.00 44.13 C ATOM 367 CH2 TRP A 21 -2.641 -1.001 -0.102 1.00 45.11 C ATOM 0 H TRP A 21 1.264 -6.365 3.217 1.00 12.22 H new ATOM 0 HA TRP A 21 0.577 -5.726 0.422 1.00 43.55 H new ATOM 0 HB2 TRP A 21 1.825 -4.137 2.692 1.00 0.03 H new ATOM 0 HB3 TRP A 21 1.802 -3.563 1.036 1.00 0.03 H new ATOM 0 HD1 TRP A 21 -0.729 -4.468 3.875 1.00 31.53 H new ATOM 0 HE1 TRP A 21 -2.879 -3.070 3.544 1.00 12.11 H new ATOM 0 HE3 TRP A 21 0.438 -2.353 -0.621 1.00 44.15 H new ATOM 0 HZ2 TRP A 21 -3.915 -1.346 1.584 1.00 32.24 H new ATOM 0 HZ3 TRP A 21 -1.195 -0.842 -1.682 1.00 44.13 H new ATOM 0 HH2 TRP A 21 -3.335 -0.326 -0.580 1.00 45.11 H new ATOM 378 N SER A 22 3.537 -6.666 1.528 1.00 32.44 N ATOM 379 CA SER A 22 4.928 -7.068 1.092 1.00 12.35 C ATOM 380 C SER A 22 4.923 -7.983 -0.166 1.00 63.22 C ATOM 381 O SER A 22 5.954 -8.159 -0.821 1.00 23.42 O ATOM 382 CB SER A 22 5.716 -7.741 2.246 1.00 1.44 C ATOM 383 OG SER A 22 7.054 -8.045 1.877 1.00 24.34 O ATOM 0 H SER A 22 3.316 -6.924 2.490 1.00 32.44 H new ATOM 0 HA SER A 22 5.436 -6.143 0.818 1.00 12.35 H new ATOM 0 HB2 SER A 22 5.721 -7.081 3.113 1.00 1.44 H new ATOM 0 HB3 SER A 22 5.207 -8.657 2.546 1.00 1.44 H new ATOM 0 HG SER A 22 7.108 -8.158 0.905 1.00 24.34 H new ATOM 389 N ALA A 23 3.746 -8.557 -0.479 1.00 61.42 N ATOM 390 CA ALA A 23 3.476 -9.278 -1.745 1.00 23.15 C ATOM 391 C ALA A 23 3.869 -8.450 -3.005 1.00 13.43 C ATOM 392 O ALA A 23 4.343 -9.012 -3.995 1.00 13.21 O ATOM 393 CB ALA A 23 1.981 -9.637 -1.788 1.00 1.21 C ATOM 0 H ALA A 23 2.941 -8.535 0.148 1.00 61.42 H new ATOM 0 HA ALA A 23 4.092 -10.177 -1.765 1.00 23.15 H new ATOM 0 HB1 ALA A 23 1.761 -10.169 -2.714 1.00 1.21 H new ATOM 0 HB2 ALA A 23 1.735 -10.272 -0.937 1.00 1.21 H new ATOM 0 HB3 ALA A 23 1.386 -8.725 -1.744 1.00 1.21 H new ATOM 399 N ILE A 24 3.701 -7.115 -2.928 1.00 64.44 N ATOM 400 CA ILE A 24 3.974 -6.184 -4.053 1.00 73.14 C ATOM 401 C ILE A 24 5.466 -6.150 -4.471 1.00 1.01 C ATOM 402 O ILE A 24 5.780 -5.777 -5.602 1.00 31.24 O ATOM 403 CB ILE A 24 3.467 -4.717 -3.737 1.00 40.32 C ATOM 404 CG1 ILE A 24 4.271 -4.083 -2.547 1.00 35.21 C ATOM 405 CG2 ILE A 24 1.943 -4.721 -3.467 1.00 15.42 C ATOM 406 CD1 ILE A 24 3.706 -2.788 -1.967 1.00 62.32 C ATOM 0 H ILE A 24 3.372 -6.646 -2.084 1.00 64.44 H new ATOM 0 HA ILE A 24 3.410 -6.579 -4.898 1.00 73.14 H new ATOM 0 HB ILE A 24 3.649 -4.091 -4.611 1.00 40.32 H new ATOM 0 HG12 ILE A 24 4.334 -4.819 -1.745 1.00 35.21 H new ATOM 0 HG13 ILE A 24 5.290 -3.892 -2.885 1.00 35.21 H new ATOM 0 HG21 ILE A 24 1.609 -3.706 -3.251 1.00 15.42 H new ATOM 0 HG22 ILE A 24 1.419 -5.096 -4.346 1.00 15.42 H new ATOM 0 HG23 ILE A 24 1.726 -5.363 -2.613 1.00 15.42 H new ATOM 0 HD11 ILE A 24 4.344 -2.445 -1.153 1.00 62.32 H new ATOM 0 HD12 ILE A 24 3.670 -2.026 -2.745 1.00 62.32 H new ATOM 0 HD13 ILE A 24 2.700 -2.968 -1.588 1.00 62.32 H new ATOM 418 N SER A 25 6.370 -6.559 -3.556 1.00 20.43 N ATOM 419 CA SER A 25 7.832 -6.594 -3.822 1.00 51.53 C ATOM 420 C SER A 25 8.187 -7.598 -4.943 1.00 71.44 C ATOM 421 O SER A 25 9.149 -7.397 -5.695 1.00 44.44 O ATOM 422 CB SER A 25 8.605 -6.958 -2.534 1.00 31.34 C ATOM 423 OG SER A 25 8.475 -8.335 -2.195 1.00 4.33 O ATOM 0 H SER A 25 6.115 -6.872 -2.619 1.00 20.43 H new ATOM 0 HA SER A 25 8.126 -5.598 -4.154 1.00 51.53 H new ATOM 0 HB2 SER A 25 9.660 -6.717 -2.666 1.00 31.34 H new ATOM 0 HB3 SER A 25 8.239 -6.347 -1.709 1.00 31.34 H new ATOM 0 HG SER A 25 7.648 -8.470 -1.687 1.00 4.33 H new ATOM 429 N THR A 26 7.403 -8.687 -5.024 1.00 73.21 N ATOM 430 CA THR A 26 7.571 -9.752 -6.032 1.00 1.31 C ATOM 431 C THR A 26 6.426 -9.728 -7.067 1.00 11.21 C ATOM 432 O THR A 26 5.305 -9.308 -6.743 1.00 40.21 O ATOM 433 CB THR A 26 7.614 -11.168 -5.366 1.00 51.15 C ATOM 434 OG1 THR A 26 6.416 -11.394 -4.595 1.00 44.33 O ATOM 435 CG2 THR A 26 8.860 -11.338 -4.476 1.00 43.42 C ATOM 0 H THR A 26 6.626 -8.856 -4.385 1.00 73.21 H new ATOM 0 HA THR A 26 8.520 -9.560 -6.534 1.00 1.31 H new ATOM 0 HB THR A 26 7.671 -11.909 -6.164 1.00 51.15 H new ATOM 0 HG1 THR A 26 6.454 -12.283 -4.185 1.00 44.33 H new ATOM 0 HG21 THR A 26 8.856 -12.333 -4.030 1.00 43.42 H new ATOM 0 HG22 THR A 26 9.759 -11.215 -5.081 1.00 43.42 H new ATOM 0 HG23 THR A 26 8.848 -10.587 -3.686 1.00 43.42 H new ATOM 443 N PRO A 27 6.700 -10.160 -8.347 1.00 50.42 N ATOM 444 CA PRO A 27 5.651 -10.364 -9.379 1.00 24.53 C ATOM 445 C PRO A 27 4.500 -11.290 -8.891 1.00 24.33 C ATOM 446 O PRO A 27 3.334 -10.885 -8.911 1.00 0.31 O ATOM 447 CB PRO A 27 6.431 -10.993 -10.582 1.00 0.40 C ATOM 448 CG PRO A 27 7.747 -11.426 -9.996 1.00 40.24 C ATOM 449 CD PRO A 27 8.051 -10.419 -8.920 1.00 45.35 C ATOM 0 HA PRO A 27 5.148 -9.433 -9.639 1.00 24.53 H new ATOM 0 HB2 PRO A 27 5.889 -11.838 -11.007 1.00 0.40 H new ATOM 0 HB3 PRO A 27 6.573 -10.269 -11.384 1.00 0.40 H new ATOM 0 HG2 PRO A 27 7.683 -12.434 -9.585 1.00 40.24 H new ATOM 0 HG3 PRO A 27 8.530 -11.440 -10.754 1.00 40.24 H new ATOM 0 HD2 PRO A 27 8.741 -10.814 -8.175 1.00 45.35 H new ATOM 0 HD3 PRO A 27 8.503 -9.513 -9.325 1.00 45.35 H new ATOM 457 N THR A 28 4.857 -12.513 -8.431 1.00 51.32 N ATOM 458 CA THR A 28 3.891 -13.531 -7.926 1.00 33.52 C ATOM 459 C THR A 28 2.888 -12.967 -6.880 1.00 10.12 C ATOM 460 O THR A 28 1.694 -13.307 -6.905 1.00 2.10 O ATOM 461 CB THR A 28 4.638 -14.776 -7.316 1.00 13.52 C ATOM 462 OG1 THR A 28 3.692 -15.764 -6.858 1.00 0.44 O ATOM 463 CG2 THR A 28 5.574 -14.392 -6.149 1.00 72.45 C ATOM 0 H THR A 28 5.827 -12.827 -8.398 1.00 51.32 H new ATOM 0 HA THR A 28 3.314 -13.839 -8.798 1.00 33.52 H new ATOM 0 HB THR A 28 5.250 -15.190 -8.117 1.00 13.52 H new ATOM 0 HG1 THR A 28 4.175 -16.530 -6.484 1.00 0.44 H new ATOM 0 HG21 THR A 28 6.064 -15.287 -5.766 1.00 72.45 H new ATOM 0 HG22 THR A 28 6.328 -13.690 -6.504 1.00 72.45 H new ATOM 0 HG23 THR A 28 4.992 -13.928 -5.353 1.00 72.45 H new ATOM 471 N GLY A 29 3.384 -12.101 -5.977 1.00 42.22 N ATOM 472 CA GLY A 29 2.553 -11.498 -4.933 1.00 70.30 C ATOM 473 C GLY A 29 1.663 -10.349 -5.434 1.00 12.34 C ATOM 474 O GLY A 29 0.523 -10.220 -5.005 1.00 11.34 O ATOM 0 H GLY A 29 4.360 -11.806 -5.954 1.00 42.22 H new ATOM 0 HA2 GLY A 29 1.921 -12.270 -4.494 1.00 70.30 H new ATOM 0 HA3 GLY A 29 3.199 -11.125 -4.138 1.00 70.30 H new ATOM 478 N LEU A 30 2.214 -9.493 -6.314 1.00 14.34 N ATOM 479 CA LEU A 30 1.475 -8.333 -6.900 1.00 53.22 C ATOM 480 C LEU A 30 0.245 -8.798 -7.734 1.00 2.30 C ATOM 481 O LEU A 30 -0.877 -8.341 -7.503 1.00 0.42 O ATOM 482 CB LEU A 30 2.440 -7.448 -7.767 1.00 24.23 C ATOM 483 CG LEU A 30 2.523 -5.934 -7.387 1.00 22.32 C ATOM 484 CD1 LEU A 30 3.574 -5.191 -8.235 1.00 70.24 C ATOM 485 CD2 LEU A 30 1.143 -5.248 -7.464 1.00 64.01 C ATOM 0 H LEU A 30 3.176 -9.575 -6.644 1.00 14.34 H new ATOM 0 HA LEU A 30 1.097 -7.728 -6.076 1.00 53.22 H new ATOM 0 HB2 LEU A 30 3.442 -7.872 -7.703 1.00 24.23 H new ATOM 0 HB3 LEU A 30 2.128 -7.522 -8.809 1.00 24.23 H new ATOM 0 HG LEU A 30 2.850 -5.882 -6.349 1.00 22.32 H new ATOM 0 HD11 LEU A 30 3.602 -4.142 -7.942 1.00 70.24 H new ATOM 0 HD12 LEU A 30 4.554 -5.639 -8.074 1.00 70.24 H new ATOM 0 HD13 LEU A 30 3.310 -5.266 -9.290 1.00 70.24 H new ATOM 0 HD21 LEU A 30 1.243 -4.197 -7.193 1.00 64.01 H new ATOM 0 HD22 LEU A 30 0.755 -5.325 -8.480 1.00 64.01 H new ATOM 0 HD23 LEU A 30 0.455 -5.737 -6.774 1.00 64.01 H new ATOM 497 N GLU A 31 0.479 -9.730 -8.678 1.00 4.53 N ATOM 498 CA GLU A 31 -0.574 -10.256 -9.591 1.00 52.23 C ATOM 499 C GLU A 31 -1.702 -11.014 -8.842 1.00 0.45 C ATOM 500 O GLU A 31 -2.807 -11.161 -9.373 1.00 0.32 O ATOM 501 CB GLU A 31 0.058 -11.175 -10.670 1.00 45.21 C ATOM 502 CG GLU A 31 0.775 -12.422 -10.119 1.00 61.31 C ATOM 503 CD GLU A 31 1.471 -13.249 -11.211 1.00 73.22 C ATOM 504 OE1 GLU A 31 2.597 -12.886 -11.619 1.00 22.43 O ATOM 505 OE2 GLU A 31 0.881 -14.245 -11.690 1.00 44.42 O ATOM 0 H GLU A 31 1.398 -10.143 -8.835 1.00 4.53 H new ATOM 0 HA GLU A 31 -1.035 -9.390 -10.067 1.00 52.23 H new ATOM 0 HB2 GLU A 31 -0.725 -11.497 -11.356 1.00 45.21 H new ATOM 0 HB3 GLU A 31 0.771 -10.591 -11.252 1.00 45.21 H new ATOM 0 HG2 GLU A 31 1.514 -12.112 -9.380 1.00 61.31 H new ATOM 0 HG3 GLU A 31 0.051 -13.051 -9.601 1.00 61.31 H new ATOM 512 N ASP A 32 -1.402 -11.482 -7.614 1.00 24.34 N ATOM 513 CA ASP A 32 -2.362 -12.184 -6.729 1.00 50.14 C ATOM 514 C ASP A 32 -3.631 -11.332 -6.420 1.00 50.43 C ATOM 515 O ASP A 32 -4.734 -11.876 -6.277 1.00 65.23 O ATOM 516 CB ASP A 32 -1.621 -12.590 -5.423 1.00 75.45 C ATOM 517 CG ASP A 32 -2.539 -13.110 -4.301 1.00 73.42 C ATOM 518 OD1 ASP A 32 -3.049 -14.250 -4.409 1.00 73.22 O ATOM 519 OD2 ASP A 32 -2.761 -12.379 -3.308 1.00 41.41 O ATOM 0 H ASP A 32 -0.475 -11.383 -7.201 1.00 24.34 H new ATOM 0 HA ASP A 32 -2.725 -13.073 -7.245 1.00 50.14 H new ATOM 0 HB2 ASP A 32 -0.888 -13.361 -5.661 1.00 75.45 H new ATOM 0 HB3 ASP A 32 -1.068 -11.728 -5.052 1.00 75.45 H new ATOM 524 N TRP A 33 -3.470 -9.999 -6.336 1.00 13.10 N ATOM 525 CA TRP A 33 -4.566 -9.083 -5.925 1.00 11.54 C ATOM 526 C TRP A 33 -4.528 -7.727 -6.682 1.00 35.54 C ATOM 527 O TRP A 33 -5.228 -6.778 -6.298 1.00 72.24 O ATOM 528 CB TRP A 33 -4.509 -8.877 -4.385 1.00 61.15 C ATOM 529 CG TRP A 33 -3.242 -8.208 -3.884 1.00 1.42 C ATOM 530 CD1 TRP A 33 -1.962 -8.691 -3.948 1.00 23.11 C ATOM 531 CD2 TRP A 33 -3.152 -6.939 -3.228 1.00 44.31 C ATOM 532 NE1 TRP A 33 -1.087 -7.789 -3.397 1.00 42.42 N ATOM 533 CE2 TRP A 33 -1.795 -6.711 -2.937 1.00 14.13 C ATOM 534 CE3 TRP A 33 -4.096 -5.976 -2.865 1.00 34.12 C ATOM 535 CZ2 TRP A 33 -1.360 -5.554 -2.300 1.00 24.02 C ATOM 536 CZ3 TRP A 33 -3.665 -4.830 -2.231 1.00 31.54 C ATOM 537 CH2 TRP A 33 -2.307 -4.630 -1.954 1.00 15.13 C ATOM 0 H TRP A 33 -2.592 -9.525 -6.546 1.00 13.10 H new ATOM 0 HA TRP A 33 -5.515 -9.546 -6.195 1.00 11.54 H new ATOM 0 HB2 TRP A 33 -5.366 -8.277 -4.080 1.00 61.15 H new ATOM 0 HB3 TRP A 33 -4.609 -9.847 -3.898 1.00 61.15 H new ATOM 0 HD1 TRP A 33 -1.682 -9.644 -4.371 1.00 23.11 H new ATOM 0 HE1 TRP A 33 -0.075 -7.903 -3.339 1.00 42.42 H new ATOM 0 HE3 TRP A 33 -5.144 -6.126 -3.077 1.00 34.12 H new ATOM 0 HZ2 TRP A 33 -0.314 -5.391 -2.087 1.00 24.02 H new ATOM 0 HZ3 TRP A 33 -4.384 -4.077 -1.944 1.00 31.54 H new ATOM 0 HH2 TRP A 33 -2.000 -3.723 -1.454 1.00 15.13 H new ATOM 548 N PHE A 34 -3.732 -7.649 -7.769 1.00 14.20 N ATOM 549 CA PHE A 34 -3.651 -6.441 -8.630 1.00 64.31 C ATOM 550 C PHE A 34 -3.406 -6.849 -10.108 1.00 65.33 C ATOM 551 O PHE A 34 -2.513 -7.662 -10.382 1.00 55.55 O ATOM 552 CB PHE A 34 -2.526 -5.487 -8.130 1.00 11.11 C ATOM 553 CG PHE A 34 -2.558 -4.083 -8.755 1.00 43.52 C ATOM 554 CD1 PHE A 34 -3.479 -3.128 -8.315 1.00 44.03 C ATOM 555 CD2 PHE A 34 -1.681 -3.722 -9.780 1.00 70.12 C ATOM 556 CE1 PHE A 34 -3.514 -1.862 -8.877 1.00 21.24 C ATOM 557 CE2 PHE A 34 -1.720 -2.455 -10.341 1.00 72.51 C ATOM 558 CZ PHE A 34 -2.636 -1.527 -9.891 1.00 11.13 C ATOM 0 H PHE A 34 -3.130 -8.413 -8.076 1.00 14.20 H new ATOM 0 HA PHE A 34 -4.600 -5.908 -8.571 1.00 64.31 H new ATOM 0 HB2 PHE A 34 -2.603 -5.391 -7.047 1.00 11.11 H new ATOM 0 HB3 PHE A 34 -1.559 -5.943 -8.342 1.00 11.11 H new ATOM 0 HD1 PHE A 34 -4.173 -3.380 -7.526 1.00 44.03 H new ATOM 0 HD2 PHE A 34 -0.961 -4.441 -10.141 1.00 70.12 H new ATOM 0 HE1 PHE A 34 -4.229 -1.135 -8.522 1.00 21.24 H new ATOM 0 HE2 PHE A 34 -1.032 -2.194 -11.132 1.00 72.51 H new ATOM 0 HZ PHE A 34 -2.667 -0.541 -10.330 1.00 11.13 H new ATOM 568 N ALA A 35 -4.219 -6.277 -11.035 1.00 31.04 N ATOM 569 CA ALA A 35 -4.203 -6.592 -12.497 1.00 65.02 C ATOM 570 C ALA A 35 -4.578 -8.071 -12.797 1.00 1.43 C ATOM 571 O ALA A 35 -4.904 -8.841 -11.885 1.00 10.54 O ATOM 572 CB ALA A 35 -2.844 -6.210 -13.136 1.00 1.34 C ATOM 0 H ALA A 35 -4.915 -5.574 -10.789 1.00 31.04 H new ATOM 0 HA ALA A 35 -4.978 -5.980 -12.958 1.00 65.02 H new ATOM 0 HB1 ALA A 35 -2.861 -6.450 -14.199 1.00 1.34 H new ATOM 0 HB2 ALA A 35 -2.669 -5.142 -13.008 1.00 1.34 H new ATOM 0 HB3 ALA A 35 -2.044 -6.769 -12.651 1.00 1.34 H new ATOM 578 N ASP A 36 -4.576 -8.450 -14.092 1.00 73.32 N ATOM 579 CA ASP A 36 -4.674 -9.872 -14.502 1.00 70.15 C ATOM 580 C ASP A 36 -3.390 -10.612 -14.103 1.00 13.42 C ATOM 581 O ASP A 36 -3.419 -11.576 -13.333 1.00 2.03 O ATOM 582 CB ASP A 36 -4.884 -10.000 -16.028 1.00 51.35 C ATOM 583 CG ASP A 36 -6.231 -9.436 -16.484 1.00 54.44 C ATOM 584 OD1 ASP A 36 -6.364 -8.199 -16.564 1.00 32.01 O ATOM 585 OD2 ASP A 36 -7.172 -10.226 -16.728 1.00 21.03 O ATOM 0 H ASP A 36 -4.508 -7.796 -14.872 1.00 73.32 H new ATOM 0 HA ASP A 36 -5.533 -10.313 -13.997 1.00 70.15 H new ATOM 0 HB2 ASP A 36 -4.081 -9.477 -16.547 1.00 51.35 H new ATOM 0 HB3 ASP A 36 -4.818 -11.050 -16.314 1.00 51.35 H new ATOM 590 N LYS A 37 -2.266 -10.123 -14.635 1.00 25.31 N ATOM 591 CA LYS A 37 -0.936 -10.643 -14.320 1.00 12.21 C ATOM 592 C LYS A 37 0.095 -9.522 -14.476 1.00 44.42 C ATOM 593 O LYS A 37 -0.064 -8.643 -15.324 1.00 73.15 O ATOM 594 CB LYS A 37 -0.555 -11.842 -15.232 1.00 41.52 C ATOM 595 CG LYS A 37 0.698 -12.594 -14.740 1.00 4.13 C ATOM 596 CD LYS A 37 1.304 -13.566 -15.765 1.00 4.02 C ATOM 597 CE LYS A 37 2.424 -14.431 -15.150 1.00 74.32 C ATOM 598 NZ LYS A 37 3.425 -13.628 -14.381 1.00 23.41 N ATOM 0 H LYS A 37 -2.255 -9.350 -15.301 1.00 25.31 H new ATOM 0 HA LYS A 37 -0.946 -11.003 -13.291 1.00 12.21 H new ATOM 0 HB2 LYS A 37 -1.394 -12.536 -15.281 1.00 41.52 H new ATOM 0 HB3 LYS A 37 -0.381 -11.481 -16.246 1.00 41.52 H new ATOM 0 HG2 LYS A 37 1.457 -11.864 -14.458 1.00 4.13 H new ATOM 0 HG3 LYS A 37 0.441 -13.151 -13.839 1.00 4.13 H new ATOM 0 HD2 LYS A 37 0.520 -14.214 -16.158 1.00 4.02 H new ATOM 0 HD3 LYS A 37 1.703 -13.002 -16.608 1.00 4.02 H new ATOM 0 HE2 LYS A 37 1.980 -15.176 -14.490 1.00 74.32 H new ATOM 0 HE3 LYS A 37 2.935 -14.974 -15.945 1.00 74.32 H new ATOM 0 HZ1 LYS A 37 4.311 -14.166 -14.297 1.00 23.41 H new ATOM 0 HZ2 LYS A 37 3.609 -12.734 -14.879 1.00 23.41 H new ATOM 0 HZ3 LYS A 37 3.052 -13.425 -13.432 1.00 23.41 H new ATOM 612 N VAL A 38 1.146 -9.552 -13.650 1.00 31.41 N ATOM 613 CA VAL A 38 2.255 -8.590 -13.738 1.00 14.41 C ATOM 614 C VAL A 38 3.552 -9.311 -14.213 1.00 1.11 C ATOM 615 O VAL A 38 3.934 -10.364 -13.683 1.00 60.54 O ATOM 616 CB VAL A 38 2.465 -7.836 -12.363 1.00 61.34 C ATOM 617 CG1 VAL A 38 1.155 -7.151 -11.894 1.00 50.51 C ATOM 618 CG2 VAL A 38 3.004 -8.762 -11.258 1.00 34.33 C ATOM 0 H VAL A 38 1.254 -10.239 -12.904 1.00 31.41 H new ATOM 0 HA VAL A 38 2.005 -7.830 -14.478 1.00 14.41 H new ATOM 0 HB VAL A 38 3.219 -7.070 -12.545 1.00 61.34 H new ATOM 0 HG11 VAL A 38 1.330 -6.641 -10.947 1.00 50.51 H new ATOM 0 HG12 VAL A 38 0.835 -6.426 -12.643 1.00 50.51 H new ATOM 0 HG13 VAL A 38 0.378 -7.904 -11.763 1.00 50.51 H new ATOM 0 HG21 VAL A 38 3.130 -8.194 -10.336 1.00 34.33 H new ATOM 0 HG22 VAL A 38 2.299 -9.576 -11.089 1.00 34.33 H new ATOM 0 HG23 VAL A 38 3.966 -9.173 -11.565 1.00 34.33 H new ATOM 628 N VAL A 39 4.170 -8.790 -15.285 1.00 11.32 N ATOM 629 CA VAL A 39 5.485 -9.269 -15.775 1.00 54.42 C ATOM 630 C VAL A 39 6.610 -8.351 -15.251 1.00 21.34 C ATOM 631 O VAL A 39 6.688 -7.187 -15.630 1.00 2.34 O ATOM 632 CB VAL A 39 5.525 -9.296 -17.354 1.00 51.12 C ATOM 633 CG1 VAL A 39 6.868 -9.871 -17.893 1.00 20.34 C ATOM 634 CG2 VAL A 39 4.319 -10.080 -17.923 1.00 21.10 C ATOM 0 H VAL A 39 3.779 -8.028 -15.839 1.00 11.32 H new ATOM 0 HA VAL A 39 5.634 -10.283 -15.404 1.00 54.42 H new ATOM 0 HB VAL A 39 5.456 -8.264 -17.697 1.00 51.12 H new ATOM 0 HG11 VAL A 39 6.852 -9.871 -18.983 1.00 20.34 H new ATOM 0 HG12 VAL A 39 7.695 -9.254 -17.542 1.00 20.34 H new ATOM 0 HG13 VAL A 39 6.998 -10.891 -17.532 1.00 20.34 H new ATOM 0 HG21 VAL A 39 4.369 -10.084 -19.012 1.00 21.10 H new ATOM 0 HG22 VAL A 39 4.345 -11.105 -17.554 1.00 21.10 H new ATOM 0 HG23 VAL A 39 3.392 -9.603 -17.604 1.00 21.10 H new ATOM 644 N SER A 40 7.503 -8.894 -14.413 1.00 43.42 N ATOM 645 CA SER A 40 8.621 -8.118 -13.813 1.00 33.40 C ATOM 646 C SER A 40 9.939 -8.355 -14.578 1.00 61.23 C ATOM 647 O SER A 40 10.111 -9.374 -15.258 1.00 4.33 O ATOM 648 CB SER A 40 8.802 -8.489 -12.322 1.00 75.14 C ATOM 649 OG SER A 40 9.852 -7.744 -11.715 1.00 73.45 O ATOM 0 H SER A 40 7.481 -9.873 -14.128 1.00 43.42 H new ATOM 0 HA SER A 40 8.367 -7.061 -13.887 1.00 33.40 H new ATOM 0 HB2 SER A 40 7.870 -8.306 -11.786 1.00 75.14 H new ATOM 0 HB3 SER A 40 9.016 -9.554 -12.236 1.00 75.14 H new ATOM 0 HG SER A 40 9.936 -8.004 -10.774 1.00 73.45 H new ATOM 655 N ASP A 41 10.856 -7.390 -14.454 1.00 4.23 N ATOM 656 CA ASP A 41 12.197 -7.439 -15.059 1.00 31.41 C ATOM 657 C ASP A 41 13.267 -7.529 -13.942 1.00 50.30 C ATOM 658 O ASP A 41 13.903 -8.573 -13.757 1.00 62.43 O ATOM 659 CB ASP A 41 12.390 -6.183 -15.950 1.00 45.45 C ATOM 660 CG ASP A 41 13.806 -6.048 -16.528 1.00 23.13 C ATOM 661 OD1 ASP A 41 14.163 -6.818 -17.451 1.00 52.41 O ATOM 662 OD2 ASP A 41 14.577 -5.188 -16.047 1.00 41.15 O ATOM 0 H ASP A 41 10.687 -6.537 -13.922 1.00 4.23 H new ATOM 0 HA ASP A 41 12.305 -8.323 -15.688 1.00 31.41 H new ATOM 0 HB2 ASP A 41 11.674 -6.217 -16.771 1.00 45.45 H new ATOM 0 HB3 ASP A 41 12.160 -5.293 -15.363 1.00 45.45 H new ATOM 667 N ASP A 42 13.422 -6.425 -13.187 1.00 55.45 N ATOM 668 CA ASP A 42 14.389 -6.318 -12.074 1.00 75.15 C ATOM 669 C ASP A 42 14.072 -5.058 -11.231 1.00 73.42 C ATOM 670 O ASP A 42 13.666 -5.148 -10.065 1.00 33.04 O ATOM 671 CB ASP A 42 15.849 -6.265 -12.615 1.00 73.42 C ATOM 672 CG ASP A 42 16.904 -6.289 -11.498 1.00 70.23 C ATOM 673 OD1 ASP A 42 17.207 -7.388 -10.981 1.00 12.13 O ATOM 674 OD2 ASP A 42 17.410 -5.212 -11.115 1.00 32.53 O ATOM 0 H ASP A 42 12.877 -5.575 -13.332 1.00 55.45 H new ATOM 0 HA ASP A 42 14.300 -7.201 -11.441 1.00 75.15 H new ATOM 0 HB2 ASP A 42 16.015 -7.111 -13.282 1.00 73.42 H new ATOM 0 HB3 ASP A 42 15.978 -5.361 -13.210 1.00 73.42 H new ATOM 679 N LYS A 43 14.266 -3.879 -11.851 1.00 61.04 N ATOM 680 CA LYS A 43 13.982 -2.560 -11.225 1.00 52.14 C ATOM 681 C LYS A 43 12.566 -2.047 -11.587 1.00 14.13 C ATOM 682 O LYS A 43 12.177 -0.952 -11.172 1.00 72.23 O ATOM 683 CB LYS A 43 15.037 -1.520 -11.697 1.00 21.22 C ATOM 684 CG LYS A 43 14.982 -1.215 -13.215 1.00 70.35 C ATOM 685 CD LYS A 43 15.859 -0.012 -13.625 1.00 32.53 C ATOM 686 CE LYS A 43 15.750 0.296 -15.129 1.00 41.23 C ATOM 687 NZ LYS A 43 16.486 1.531 -15.505 1.00 12.23 N ATOM 0 H LYS A 43 14.625 -3.807 -12.803 1.00 61.04 H new ATOM 0 HA LYS A 43 14.032 -2.688 -10.144 1.00 52.14 H new ATOM 0 HB2 LYS A 43 14.891 -0.592 -11.144 1.00 21.22 H new ATOM 0 HB3 LYS A 43 16.032 -1.887 -11.446 1.00 21.22 H new ATOM 0 HG2 LYS A 43 15.305 -2.097 -13.768 1.00 70.35 H new ATOM 0 HG3 LYS A 43 13.949 -1.018 -13.503 1.00 70.35 H new ATOM 0 HD2 LYS A 43 15.560 0.866 -13.053 1.00 32.53 H new ATOM 0 HD3 LYS A 43 16.899 -0.219 -13.372 1.00 32.53 H new ATOM 0 HE2 LYS A 43 16.142 -0.546 -15.700 1.00 41.23 H new ATOM 0 HE3 LYS A 43 14.700 0.404 -15.401 1.00 41.23 H new ATOM 0 HZ1 LYS A 43 16.384 1.698 -16.526 1.00 12.23 H new ATOM 0 HZ2 LYS A 43 16.096 2.340 -14.981 1.00 12.23 H new ATOM 0 HZ3 LYS A 43 17.493 1.420 -15.271 1.00 12.23 H new ATOM 701 N THR A 44 11.811 -2.834 -12.371 1.00 41.34 N ATOM 702 CA THR A 44 10.522 -2.400 -12.956 1.00 1.24 C ATOM 703 C THR A 44 9.528 -3.583 -13.057 1.00 40.24 C ATOM 704 O THR A 44 9.903 -4.680 -13.478 1.00 31.25 O ATOM 705 CB THR A 44 10.740 -1.776 -14.384 1.00 23.40 C ATOM 706 OG1 THR A 44 11.646 -0.655 -14.312 1.00 52.32 O ATOM 707 CG2 THR A 44 9.423 -1.312 -15.027 1.00 3.21 C ATOM 0 H THR A 44 12.072 -3.788 -12.620 1.00 41.34 H new ATOM 0 HA THR A 44 10.101 -1.643 -12.294 1.00 1.24 H new ATOM 0 HB THR A 44 11.164 -2.564 -15.007 1.00 23.40 H new ATOM 0 HG1 THR A 44 11.773 -0.279 -15.208 1.00 52.32 H new ATOM 0 HG21 THR A 44 9.627 -0.889 -16.011 1.00 3.21 H new ATOM 0 HG22 THR A 44 8.749 -2.163 -15.131 1.00 3.21 H new ATOM 0 HG23 THR A 44 8.957 -0.555 -14.396 1.00 3.21 H new ATOM 715 N VAL A 45 8.258 -3.338 -12.668 1.00 53.31 N ATOM 716 CA VAL A 45 7.147 -4.318 -12.796 1.00 0.24 C ATOM 717 C VAL A 45 6.078 -3.791 -13.796 1.00 33.31 C ATOM 718 O VAL A 45 5.616 -2.653 -13.676 1.00 21.01 O ATOM 719 CB VAL A 45 6.473 -4.608 -11.399 1.00 14.14 C ATOM 720 CG1 VAL A 45 5.361 -5.681 -11.525 1.00 53.23 C ATOM 721 CG2 VAL A 45 7.526 -5.022 -10.336 1.00 54.44 C ATOM 0 H VAL A 45 7.969 -2.452 -12.254 1.00 53.31 H new ATOM 0 HA VAL A 45 7.568 -5.250 -13.172 1.00 0.24 H new ATOM 0 HB VAL A 45 6.009 -3.681 -11.062 1.00 14.14 H new ATOM 0 HG11 VAL A 45 4.915 -5.860 -10.547 1.00 53.23 H new ATOM 0 HG12 VAL A 45 4.593 -5.330 -12.215 1.00 53.23 H new ATOM 0 HG13 VAL A 45 5.792 -6.609 -11.902 1.00 53.23 H new ATOM 0 HG21 VAL A 45 7.028 -5.214 -9.386 1.00 54.44 H new ATOM 0 HG22 VAL A 45 8.040 -5.925 -10.665 1.00 54.44 H new ATOM 0 HG23 VAL A 45 8.251 -4.218 -10.209 1.00 54.44 H new ATOM 731 N THR A 46 5.679 -4.640 -14.764 1.00 75.54 N ATOM 732 CA THR A 46 4.710 -4.289 -15.838 1.00 13.13 C ATOM 733 C THR A 46 3.338 -4.940 -15.563 1.00 43.23 C ATOM 734 O THR A 46 3.203 -6.155 -15.643 1.00 70.04 O ATOM 735 CB THR A 46 5.230 -4.760 -17.241 1.00 1.25 C ATOM 736 OG1 THR A 46 6.568 -4.278 -17.444 1.00 45.03 O ATOM 737 CG2 THR A 46 4.328 -4.279 -18.401 1.00 63.45 C ATOM 0 H THR A 46 6.020 -5.599 -14.829 1.00 75.54 H new ATOM 0 HA THR A 46 4.604 -3.204 -15.844 1.00 13.13 H new ATOM 0 HB THR A 46 5.211 -5.850 -17.244 1.00 1.25 H new ATOM 0 HG1 THR A 46 6.893 -4.574 -18.320 1.00 45.03 H new ATOM 0 HG21 THR A 46 4.734 -4.633 -19.349 1.00 63.45 H new ATOM 0 HG22 THR A 46 3.321 -4.675 -18.267 1.00 63.45 H new ATOM 0 HG23 THR A 46 4.292 -3.190 -18.406 1.00 63.45 H new ATOM 745 N PHE A 47 2.334 -4.123 -15.250 1.00 11.11 N ATOM 746 CA PHE A 47 0.958 -4.574 -14.962 1.00 40.03 C ATOM 747 C PHE A 47 0.172 -4.751 -16.276 1.00 30.21 C ATOM 748 O PHE A 47 -0.118 -3.766 -16.966 1.00 10.42 O ATOM 749 CB PHE A 47 0.231 -3.542 -14.067 1.00 13.31 C ATOM 750 CG PHE A 47 1.094 -2.966 -12.953 1.00 52.24 C ATOM 751 CD1 PHE A 47 1.259 -3.642 -11.757 1.00 73.23 C ATOM 752 CD2 PHE A 47 1.740 -1.742 -13.111 1.00 30.43 C ATOM 753 CE1 PHE A 47 2.037 -3.119 -10.748 1.00 65.54 C ATOM 754 CE2 PHE A 47 2.521 -1.219 -12.104 1.00 4.32 C ATOM 755 CZ PHE A 47 2.670 -1.905 -10.918 1.00 3.44 C ATOM 0 H PHE A 47 2.447 -3.111 -15.186 1.00 11.11 H new ATOM 0 HA PHE A 47 1.011 -5.529 -14.439 1.00 40.03 H new ATOM 0 HB2 PHE A 47 -0.129 -2.725 -14.692 1.00 13.31 H new ATOM 0 HB3 PHE A 47 -0.646 -4.015 -13.625 1.00 13.31 H new ATOM 0 HD1 PHE A 47 0.770 -4.594 -11.613 1.00 73.23 H new ATOM 0 HD2 PHE A 47 1.627 -1.196 -14.036 1.00 30.43 H new ATOM 0 HE1 PHE A 47 2.152 -3.661 -9.821 1.00 65.54 H new ATOM 0 HE2 PHE A 47 3.017 -0.270 -12.244 1.00 4.32 H new ATOM 0 HZ PHE A 47 3.279 -1.495 -10.126 1.00 3.44 H new ATOM 765 N CYS A 48 -0.157 -5.996 -16.618 1.00 34.35 N ATOM 766 CA CYS A 48 -0.928 -6.324 -17.837 1.00 54.23 C ATOM 767 C CYS A 48 -2.430 -6.460 -17.507 1.00 64.34 C ATOM 768 O CYS A 48 -2.836 -7.380 -16.783 1.00 41.52 O ATOM 769 CB CYS A 48 -0.389 -7.630 -18.466 1.00 30.01 C ATOM 770 SG CYS A 48 1.369 -7.567 -18.897 1.00 74.02 S ATOM 0 H CYS A 48 0.099 -6.813 -16.063 1.00 34.35 H new ATOM 0 HA CYS A 48 -0.810 -5.514 -18.556 1.00 54.23 H new ATOM 0 HB2 CYS A 48 -0.553 -8.452 -17.769 1.00 30.01 H new ATOM 0 HB3 CYS A 48 -0.965 -7.854 -19.364 1.00 30.01 H new ATOM 0 HG CYS A 48 1.730 -8.704 -19.414 1.00 74.02 H new ATOM 776 N TRP A 49 -3.244 -5.518 -18.020 1.00 70.35 N ATOM 777 CA TRP A 49 -4.721 -5.576 -17.938 1.00 63.15 C ATOM 778 C TRP A 49 -5.295 -6.039 -19.297 1.00 14.34 C ATOM 779 O TRP A 49 -5.983 -7.062 -19.392 1.00 73.12 O ATOM 780 CB TRP A 49 -5.308 -4.192 -17.553 1.00 61.21 C ATOM 781 CG TRP A 49 -4.871 -3.677 -16.198 1.00 14.44 C ATOM 782 CD1 TRP A 49 -5.368 -4.042 -14.977 1.00 72.54 C ATOM 783 CD2 TRP A 49 -3.863 -2.686 -15.937 1.00 4.24 C ATOM 784 NE1 TRP A 49 -4.735 -3.340 -13.982 1.00 55.54 N ATOM 785 CE2 TRP A 49 -3.809 -2.501 -14.544 1.00 63.54 C ATOM 786 CE3 TRP A 49 -3.012 -1.935 -16.752 1.00 21.44 C ATOM 787 CZ2 TRP A 49 -2.928 -1.602 -13.945 1.00 61.05 C ATOM 788 CZ3 TRP A 49 -2.138 -1.045 -16.161 1.00 13.51 C ATOM 789 CH2 TRP A 49 -2.104 -0.879 -14.768 1.00 23.40 C ATOM 0 H TRP A 49 -2.897 -4.691 -18.506 1.00 70.35 H new ATOM 0 HA TRP A 49 -5.001 -6.289 -17.163 1.00 63.15 H new ATOM 0 HB2 TRP A 49 -5.020 -3.466 -18.313 1.00 61.21 H new ATOM 0 HB3 TRP A 49 -6.396 -4.256 -17.569 1.00 61.21 H new ATOM 0 HD1 TRP A 49 -6.145 -4.775 -14.819 1.00 72.54 H new ATOM 0 HE1 TRP A 49 -4.924 -3.429 -12.984 1.00 55.54 H new ATOM 0 HE3 TRP A 49 -3.038 -2.049 -17.826 1.00 21.44 H new ATOM 0 HZ2 TRP A 49 -2.896 -1.480 -12.872 1.00 61.05 H new ATOM 0 HZ3 TRP A 49 -1.469 -0.467 -16.781 1.00 13.51 H new ATOM 0 HH2 TRP A 49 -1.415 -0.168 -14.336 1.00 23.40 H new ATOM 800 N GLY A 50 -4.980 -5.268 -20.353 1.00 2.34 N ATOM 801 CA GLY A 50 -5.384 -5.592 -21.732 1.00 5.10 C ATOM 802 C GLY A 50 -4.197 -5.676 -22.697 1.00 60.11 C ATOM 803 O GLY A 50 -3.051 -5.434 -22.302 1.00 64.24 O ATOM 0 H GLY A 50 -4.440 -4.406 -20.275 1.00 2.34 H new ATOM 0 HA2 GLY A 50 -5.916 -6.543 -21.735 1.00 5.10 H new ATOM 0 HA3 GLY A 50 -6.082 -4.835 -22.088 1.00 5.10 H new ATOM 807 N LYS A 51 -4.482 -6.010 -23.975 1.00 64.24 N ATOM 808 CA LYS A 51 -3.445 -6.126 -25.036 1.00 24.33 C ATOM 809 C LYS A 51 -2.772 -4.758 -25.335 1.00 51.11 C ATOM 810 O LYS A 51 -1.576 -4.689 -25.627 1.00 24.04 O ATOM 811 CB LYS A 51 -4.068 -6.722 -26.333 1.00 14.43 C ATOM 812 CG LYS A 51 -5.222 -5.889 -26.951 1.00 24.34 C ATOM 813 CD LYS A 51 -5.830 -6.544 -28.215 1.00 14.45 C ATOM 814 CE LYS A 51 -4.809 -6.728 -29.354 1.00 64.11 C ATOM 815 NZ LYS A 51 -5.401 -7.421 -30.526 1.00 24.11 N ATOM 0 H LYS A 51 -5.428 -6.206 -24.303 1.00 64.24 H new ATOM 0 HA LYS A 51 -2.669 -6.799 -24.671 1.00 24.33 H new ATOM 0 HB2 LYS A 51 -3.280 -6.832 -27.078 1.00 14.43 H new ATOM 0 HB3 LYS A 51 -4.440 -7.722 -26.112 1.00 14.43 H new ATOM 0 HG2 LYS A 51 -6.006 -5.755 -26.205 1.00 24.34 H new ATOM 0 HG3 LYS A 51 -4.851 -4.896 -27.206 1.00 24.34 H new ATOM 0 HD2 LYS A 51 -6.246 -7.515 -27.948 1.00 14.45 H new ATOM 0 HD3 LYS A 51 -6.657 -5.930 -28.572 1.00 14.45 H new ATOM 0 HE2 LYS A 51 -4.431 -5.753 -29.662 1.00 64.11 H new ATOM 0 HE3 LYS A 51 -3.956 -7.300 -28.988 1.00 64.11 H new ATOM 0 HZ1 LYS A 51 -4.680 -7.524 -31.269 1.00 24.11 H new ATOM 0 HZ2 LYS A 51 -5.739 -8.362 -30.239 1.00 24.11 H new ATOM 0 HZ3 LYS A 51 -6.199 -6.863 -30.893 1.00 24.11 H new ATOM 829 N THR A 52 -3.573 -3.681 -25.255 1.00 42.13 N ATOM 830 CA THR A 52 -3.108 -2.291 -25.454 1.00 70.33 C ATOM 831 C THR A 52 -2.749 -1.637 -24.097 1.00 31.22 C ATOM 832 O THR A 52 -1.811 -0.834 -24.003 1.00 23.14 O ATOM 833 CB THR A 52 -4.216 -1.439 -26.166 1.00 22.52 C ATOM 834 OG1 THR A 52 -4.642 -2.098 -27.374 1.00 33.32 O ATOM 835 CG2 THR A 52 -3.743 -0.013 -26.514 1.00 13.51 C ATOM 0 H THR A 52 -4.570 -3.748 -25.049 1.00 42.13 H new ATOM 0 HA THR A 52 -2.218 -2.320 -26.082 1.00 70.33 H new ATOM 0 HB THR A 52 -5.043 -1.351 -25.462 1.00 22.52 H new ATOM 0 HG1 THR A 52 -5.335 -1.561 -27.812 1.00 33.32 H new ATOM 0 HG21 THR A 52 -4.552 0.529 -27.005 1.00 13.51 H new ATOM 0 HG22 THR A 52 -3.458 0.509 -25.600 1.00 13.51 H new ATOM 0 HG23 THR A 52 -2.884 -0.068 -27.183 1.00 13.51 H new ATOM 843 N GLU A 53 -3.499 -2.011 -23.038 1.00 13.03 N ATOM 844 CA GLU A 53 -3.395 -1.378 -21.710 1.00 64.02 C ATOM 845 C GLU A 53 -2.447 -2.173 -20.783 1.00 11.13 C ATOM 846 O GLU A 53 -2.834 -3.169 -20.154 1.00 24.13 O ATOM 847 CB GLU A 53 -4.796 -1.226 -21.066 1.00 61.54 C ATOM 848 CG GLU A 53 -4.782 -0.551 -19.678 1.00 51.12 C ATOM 849 CD GLU A 53 -6.180 -0.385 -19.067 1.00 52.43 C ATOM 850 OE1 GLU A 53 -6.831 -1.404 -18.767 1.00 15.22 O ATOM 851 OE2 GLU A 53 -6.632 0.765 -18.883 1.00 60.15 O ATOM 0 H GLU A 53 -4.191 -2.759 -23.082 1.00 13.03 H new ATOM 0 HA GLU A 53 -2.970 -0.384 -21.845 1.00 64.02 H new ATOM 0 HB2 GLU A 53 -5.430 -0.644 -21.735 1.00 61.54 H new ATOM 0 HB3 GLU A 53 -5.251 -2.212 -20.974 1.00 61.54 H new ATOM 0 HG2 GLU A 53 -4.165 -1.142 -19.001 1.00 51.12 H new ATOM 0 HG3 GLU A 53 -4.312 0.429 -19.763 1.00 51.12 H new ATOM 858 N GLN A 54 -1.192 -1.726 -20.736 1.00 61.21 N ATOM 859 CA GLN A 54 -0.167 -2.274 -19.838 1.00 14.24 C ATOM 860 C GLN A 54 0.783 -1.139 -19.394 1.00 34.30 C ATOM 861 O GLN A 54 1.350 -0.426 -20.227 1.00 15.42 O ATOM 862 CB GLN A 54 0.599 -3.436 -20.535 1.00 42.11 C ATOM 863 CG GLN A 54 1.295 -3.056 -21.862 1.00 23.54 C ATOM 864 CD GLN A 54 2.123 -4.194 -22.453 1.00 43.01 C ATOM 865 OE1 GLN A 54 1.632 -4.996 -23.233 1.00 53.12 O ATOM 866 NE2 GLN A 54 3.384 -4.265 -22.086 1.00 13.12 N ATOM 0 H GLN A 54 -0.852 -0.966 -21.325 1.00 61.21 H new ATOM 0 HA GLN A 54 -0.639 -2.690 -18.948 1.00 14.24 H new ATOM 0 HB2 GLN A 54 1.350 -3.821 -19.845 1.00 42.11 H new ATOM 0 HB3 GLN A 54 -0.102 -4.248 -20.729 1.00 42.11 H new ATOM 0 HG2 GLN A 54 0.540 -2.750 -22.586 1.00 23.54 H new ATOM 0 HG3 GLN A 54 1.941 -2.195 -21.692 1.00 23.54 H new ATOM 0 HE21 GLN A 54 3.764 -3.580 -21.433 1.00 13.12 H new ATOM 0 HE22 GLN A 54 3.982 -5.005 -22.455 1.00 13.12 H new ATOM 875 N ARG A 55 0.911 -0.933 -18.074 1.00 74.42 N ATOM 876 CA ARG A 55 1.735 0.163 -17.499 1.00 22.13 C ATOM 877 C ARG A 55 2.879 -0.416 -16.670 1.00 23.30 C ATOM 878 O ARG A 55 2.784 -1.523 -16.174 1.00 30.40 O ATOM 879 CB ARG A 55 0.867 1.137 -16.634 1.00 72.22 C ATOM 880 CG ARG A 55 0.296 2.350 -17.404 1.00 34.03 C ATOM 881 CD ARG A 55 -0.706 1.989 -18.516 1.00 42.45 C ATOM 882 NE ARG A 55 -0.983 3.139 -19.399 1.00 63.21 N ATOM 883 CZ ARG A 55 -2.070 3.311 -20.116 1.00 72.14 C ATOM 884 NH1 ARG A 55 -3.064 2.475 -20.051 1.00 43.22 N ATOM 885 NH2 ARG A 55 -2.157 4.337 -20.892 1.00 75.43 N ATOM 0 H ARG A 55 0.453 -1.513 -17.371 1.00 74.42 H new ATOM 0 HA ARG A 55 2.154 0.739 -18.325 1.00 22.13 H new ATOM 0 HB2 ARG A 55 0.039 0.576 -16.201 1.00 72.22 H new ATOM 0 HB3 ARG A 55 1.473 1.503 -15.805 1.00 72.22 H new ATOM 0 HG2 ARG A 55 -0.194 3.017 -16.694 1.00 34.03 H new ATOM 0 HG3 ARG A 55 1.123 2.906 -17.845 1.00 34.03 H new ATOM 0 HD2 ARG A 55 -0.310 1.163 -19.108 1.00 42.45 H new ATOM 0 HD3 ARG A 55 -1.637 1.642 -18.068 1.00 42.45 H new ATOM 0 HE ARG A 55 -0.268 3.864 -19.457 1.00 63.21 H new ATOM 0 HH11 ARG A 55 -3.010 1.665 -19.434 1.00 43.22 H new ATOM 0 HH12 ARG A 55 -3.898 2.629 -20.617 1.00 43.22 H new ATOM 0 HH21 ARG A 55 -1.387 5.004 -20.944 1.00 75.43 H new ATOM 0 HH22 ARG A 55 -2.996 4.482 -21.454 1.00 75.43 H new ATOM 899 N GLN A 56 3.953 0.355 -16.517 1.00 11.45 N ATOM 900 CA GLN A 56 5.139 -0.051 -15.745 1.00 53.44 C ATOM 901 C GLN A 56 5.339 0.875 -14.533 1.00 63.02 C ATOM 902 O GLN A 56 4.938 2.042 -14.560 1.00 45.04 O ATOM 903 CB GLN A 56 6.391 -0.044 -16.657 1.00 23.13 C ATOM 904 CG GLN A 56 6.276 -0.966 -17.890 1.00 42.14 C ATOM 905 CD GLN A 56 7.584 -1.120 -18.670 1.00 21.31 C ATOM 906 OE1 GLN A 56 7.872 -0.360 -19.583 1.00 73.30 O ATOM 907 NE2 GLN A 56 8.380 -2.119 -18.329 1.00 51.41 N ATOM 0 H GLN A 56 4.032 1.286 -16.925 1.00 11.45 H new ATOM 0 HA GLN A 56 4.987 -1.064 -15.372 1.00 53.44 H new ATOM 0 HB2 GLN A 56 6.576 0.976 -16.995 1.00 23.13 H new ATOM 0 HB3 GLN A 56 7.257 -0.347 -16.069 1.00 23.13 H new ATOM 0 HG2 GLN A 56 5.939 -1.951 -17.566 1.00 42.14 H new ATOM 0 HG3 GLN A 56 5.510 -0.571 -18.557 1.00 42.14 H new ATOM 0 HE21 GLN A 56 8.119 -2.741 -17.564 1.00 51.41 H new ATOM 0 HE22 GLN A 56 9.255 -2.268 -18.831 1.00 51.41 H new ATOM 916 N ALA A 57 5.953 0.335 -13.470 1.00 21.54 N ATOM 917 CA ALA A 57 6.317 1.102 -12.263 1.00 3.43 C ATOM 918 C ALA A 57 7.748 0.746 -11.817 1.00 31.42 C ATOM 919 O ALA A 57 8.054 -0.432 -11.579 1.00 12.53 O ATOM 920 CB ALA A 57 5.315 0.842 -11.122 1.00 41.40 C ATOM 0 H ALA A 57 6.213 -0.650 -13.420 1.00 21.54 H new ATOM 0 HA ALA A 57 6.280 2.163 -12.508 1.00 3.43 H new ATOM 0 HB1 ALA A 57 5.606 1.419 -10.244 1.00 41.40 H new ATOM 0 HB2 ALA A 57 4.316 1.142 -11.439 1.00 41.40 H new ATOM 0 HB3 ALA A 57 5.313 -0.219 -10.874 1.00 41.40 H new ATOM 926 N GLY A 58 8.616 1.764 -11.738 1.00 24.21 N ATOM 927 CA GLY A 58 9.981 1.602 -11.243 1.00 45.54 C ATOM 928 C GLY A 58 10.050 1.577 -9.711 1.00 11.44 C ATOM 929 O GLY A 58 9.488 2.462 -9.047 1.00 23.21 O ATOM 0 H GLY A 58 8.388 2.719 -12.016 1.00 24.21 H new ATOM 0 HA2 GLY A 58 10.400 0.676 -11.638 1.00 45.54 H new ATOM 0 HA3 GLY A 58 10.600 2.417 -11.618 1.00 45.54 H new ATOM 933 N ILE A 59 10.719 0.549 -9.147 1.00 22.13 N ATOM 934 CA ILE A 59 11.002 0.467 -7.700 1.00 30.50 C ATOM 935 C ILE A 59 12.010 1.577 -7.318 1.00 73.23 C ATOM 936 O ILE A 59 13.133 1.614 -7.839 1.00 53.05 O ATOM 937 CB ILE A 59 11.575 -0.951 -7.247 1.00 74.30 C ATOM 938 CG1 ILE A 59 10.523 -2.110 -7.421 1.00 52.30 C ATOM 939 CG2 ILE A 59 12.082 -0.908 -5.771 1.00 54.34 C ATOM 940 CD1 ILE A 59 10.175 -2.500 -8.853 1.00 53.01 C ATOM 0 H ILE A 59 11.076 -0.244 -9.680 1.00 22.13 H new ATOM 0 HA ILE A 59 10.053 0.601 -7.180 1.00 30.50 H new ATOM 0 HB ILE A 59 12.416 -1.167 -7.906 1.00 74.30 H new ATOM 0 HG12 ILE A 59 10.901 -2.994 -6.908 1.00 52.30 H new ATOM 0 HG13 ILE A 59 9.604 -1.816 -6.914 1.00 52.30 H new ATOM 0 HG21 ILE A 59 12.467 -1.888 -5.490 1.00 54.34 H new ATOM 0 HG22 ILE A 59 12.876 -0.167 -5.680 1.00 54.34 H new ATOM 0 HG23 ILE A 59 11.258 -0.639 -5.111 1.00 54.34 H new ATOM 0 HD11 ILE A 59 9.442 -3.307 -8.843 1.00 53.01 H new ATOM 0 HD12 ILE A 59 9.758 -1.638 -9.374 1.00 53.01 H new ATOM 0 HD13 ILE A 59 11.076 -2.835 -9.368 1.00 53.01 H new ATOM 952 N VAL A 60 11.594 2.485 -6.423 1.00 30.03 N ATOM 953 CA VAL A 60 12.439 3.603 -5.962 1.00 35.54 C ATOM 954 C VAL A 60 13.388 3.127 -4.831 1.00 54.12 C ATOM 955 O VAL A 60 14.599 3.366 -4.881 1.00 32.14 O ATOM 956 CB VAL A 60 11.546 4.808 -5.479 1.00 70.01 C ATOM 957 CG1 VAL A 60 12.399 6.016 -5.005 1.00 64.41 C ATOM 958 CG2 VAL A 60 10.534 5.230 -6.581 1.00 42.34 C ATOM 0 H VAL A 60 10.667 2.468 -5.998 1.00 30.03 H new ATOM 0 HA VAL A 60 13.048 3.949 -6.797 1.00 35.54 H new ATOM 0 HB VAL A 60 10.980 4.462 -4.614 1.00 70.01 H new ATOM 0 HG11 VAL A 60 11.740 6.822 -4.682 1.00 64.41 H new ATOM 0 HG12 VAL A 60 13.033 5.710 -4.173 1.00 64.41 H new ATOM 0 HG13 VAL A 60 13.023 6.366 -5.827 1.00 64.41 H new ATOM 0 HG21 VAL A 60 9.931 6.063 -6.221 1.00 42.34 H new ATOM 0 HG22 VAL A 60 11.077 5.535 -7.476 1.00 42.34 H new ATOM 0 HG23 VAL A 60 9.884 4.388 -6.820 1.00 42.34 H new ATOM 968 N ALA A 61 12.817 2.415 -3.835 1.00 53.33 N ATOM 969 CA ALA A 61 13.586 1.832 -2.705 1.00 61.31 C ATOM 970 C ALA A 61 12.761 0.768 -1.945 1.00 52.42 C ATOM 971 O ALA A 61 11.523 0.759 -2.009 1.00 13.43 O ATOM 972 CB ALA A 61 14.068 2.923 -1.733 1.00 40.11 C ATOM 0 H ALA A 61 11.816 2.227 -3.788 1.00 53.33 H new ATOM 0 HA ALA A 61 14.460 1.343 -3.135 1.00 61.31 H new ATOM 0 HB1 ALA A 61 14.627 2.463 -0.918 1.00 40.11 H new ATOM 0 HB2 ALA A 61 14.711 3.625 -2.264 1.00 40.11 H new ATOM 0 HB3 ALA A 61 13.207 3.455 -1.328 1.00 40.11 H new ATOM 978 N ILE A 62 13.478 -0.112 -1.222 1.00 43.10 N ATOM 979 CA ILE A 62 12.884 -1.195 -0.402 1.00 24.42 C ATOM 980 C ILE A 62 13.929 -1.755 0.605 1.00 63.21 C ATOM 981 O ILE A 62 15.139 -1.719 0.344 1.00 53.52 O ATOM 982 CB ILE A 62 12.295 -2.367 -1.298 1.00 53.12 C ATOM 983 CG1 ILE A 62 11.683 -3.513 -0.417 1.00 71.11 C ATOM 984 CG2 ILE A 62 13.347 -2.911 -2.293 1.00 21.42 C ATOM 985 CD1 ILE A 62 11.128 -4.702 -1.172 1.00 21.44 C ATOM 0 H ILE A 62 14.497 -0.095 -1.187 1.00 43.10 H new ATOM 0 HA ILE A 62 12.053 -0.760 0.154 1.00 24.42 H new ATOM 0 HB ILE A 62 11.483 -1.945 -1.890 1.00 53.12 H new ATOM 0 HG12 ILE A 62 12.453 -3.869 0.268 1.00 71.11 H new ATOM 0 HG13 ILE A 62 10.885 -3.089 0.193 1.00 71.11 H new ATOM 0 HG21 ILE A 62 12.906 -3.711 -2.888 1.00 21.42 H new ATOM 0 HG22 ILE A 62 13.674 -2.107 -2.952 1.00 21.42 H new ATOM 0 HG23 ILE A 62 14.203 -3.299 -1.741 1.00 21.42 H new ATOM 0 HD11 ILE A 62 10.732 -5.430 -0.464 1.00 21.44 H new ATOM 0 HD12 ILE A 62 10.330 -4.371 -1.836 1.00 21.44 H new ATOM 0 HD13 ILE A 62 11.922 -5.162 -1.760 1.00 21.44 H new ATOM 997 N ARG A 63 13.442 -2.261 1.759 1.00 42.44 N ATOM 998 CA ARG A 63 14.271 -2.972 2.756 1.00 62.14 C ATOM 999 C ARG A 63 13.384 -3.906 3.613 1.00 25.24 C ATOM 1000 O ARG A 63 12.653 -3.440 4.501 1.00 61.21 O ATOM 1001 CB ARG A 63 15.054 -1.981 3.652 1.00 72.12 C ATOM 1002 CG ARG A 63 15.980 -2.651 4.692 1.00 23.11 C ATOM 1003 CD ARG A 63 16.755 -1.630 5.538 1.00 2.42 C ATOM 1004 NE ARG A 63 17.703 -0.835 4.735 1.00 52.24 N ATOM 1005 CZ ARG A 63 18.387 0.200 5.172 1.00 51.05 C ATOM 1006 NH1 ARG A 63 18.222 0.656 6.379 1.00 32.43 N ATOM 1007 NH2 ARG A 63 19.241 0.775 4.390 1.00 75.11 N ATOM 0 H ARG A 63 12.460 -2.187 2.026 1.00 42.44 H new ATOM 0 HA ARG A 63 15.004 -3.575 2.221 1.00 62.14 H new ATOM 0 HB2 ARG A 63 15.654 -1.331 3.015 1.00 72.12 H new ATOM 0 HB3 ARG A 63 14.342 -1.344 4.176 1.00 72.12 H new ATOM 0 HG2 ARG A 63 15.384 -3.284 5.349 1.00 23.11 H new ATOM 0 HG3 ARG A 63 16.687 -3.302 4.178 1.00 23.11 H new ATOM 0 HD2 ARG A 63 16.050 -0.960 6.030 1.00 2.42 H new ATOM 0 HD3 ARG A 63 17.299 -2.153 6.324 1.00 2.42 H new ATOM 0 HE ARG A 63 17.839 -1.110 3.762 1.00 52.24 H new ATOM 0 HH11 ARG A 63 17.552 0.210 7.006 1.00 32.43 H new ATOM 0 HH12 ARG A 63 18.762 1.460 6.699 1.00 32.43 H new ATOM 0 HH21 ARG A 63 19.380 0.425 3.442 1.00 75.11 H new ATOM 0 HH22 ARG A 63 19.775 1.578 4.721 1.00 75.11 H new ATOM 1021 N ALA A 64 13.460 -5.224 3.312 1.00 63.53 N ATOM 1022 CA ALA A 64 12.721 -6.301 4.016 1.00 21.30 C ATOM 1023 C ALA A 64 11.178 -6.073 4.028 1.00 13.44 C ATOM 1024 O ALA A 64 10.466 -6.539 3.131 1.00 44.21 O ATOM 1025 CB ALA A 64 13.283 -6.521 5.438 1.00 41.20 C ATOM 0 H ALA A 64 14.049 -5.576 2.557 1.00 63.53 H new ATOM 0 HA ALA A 64 12.881 -7.217 3.447 1.00 21.30 H new ATOM 0 HB1 ALA A 64 12.723 -7.316 5.932 1.00 41.20 H new ATOM 0 HB2 ALA A 64 14.334 -6.803 5.374 1.00 41.20 H new ATOM 0 HB3 ALA A 64 13.189 -5.600 6.013 1.00 41.20 H new ATOM 1031 N TYR A 65 10.682 -5.332 5.042 1.00 63.30 N ATOM 1032 CA TYR A 65 9.243 -5.009 5.198 1.00 74.12 C ATOM 1033 C TYR A 65 9.055 -3.610 5.852 1.00 24.00 C ATOM 1034 O TYR A 65 7.930 -3.115 5.983 1.00 54.44 O ATOM 1035 CB TYR A 65 8.537 -6.117 6.040 1.00 23.32 C ATOM 1036 CG TYR A 65 8.824 -6.103 7.565 1.00 25.53 C ATOM 1037 CD1 TYR A 65 10.116 -6.263 8.080 1.00 64.42 C ATOM 1038 CD2 TYR A 65 7.788 -5.926 8.484 1.00 2.45 C ATOM 1039 CE1 TYR A 65 10.348 -6.244 9.448 1.00 31.12 C ATOM 1040 CE2 TYR A 65 8.012 -5.904 9.839 1.00 21.43 C ATOM 1041 CZ TYR A 65 9.290 -6.065 10.325 1.00 3.04 C ATOM 1042 OH TYR A 65 9.508 -6.044 11.690 1.00 61.34 O ATOM 0 H TYR A 65 11.268 -4.939 5.779 1.00 63.30 H new ATOM 0 HA TYR A 65 8.784 -4.976 4.210 1.00 74.12 H new ATOM 0 HB2 TYR A 65 7.461 -6.026 5.893 1.00 23.32 H new ATOM 0 HB3 TYR A 65 8.832 -7.089 5.644 1.00 23.32 H new ATOM 0 HD1 TYR A 65 10.945 -6.403 7.402 1.00 64.42 H new ATOM 0 HD2 TYR A 65 6.779 -5.803 8.118 1.00 2.45 H new ATOM 0 HE1 TYR A 65 11.351 -6.368 9.828 1.00 31.12 H new ATOM 0 HE2 TYR A 65 7.187 -5.761 10.522 1.00 21.43 H new ATOM 0 HH TYR A 65 9.370 -5.135 12.029 1.00 61.34 H new ATOM 1052 N SER A 66 10.183 -2.970 6.226 1.00 3.02 N ATOM 1053 CA SER A 66 10.193 -1.690 6.973 1.00 34.05 C ATOM 1054 C SER A 66 10.047 -0.455 6.050 1.00 72.34 C ATOM 1055 O SER A 66 10.048 0.669 6.551 1.00 20.32 O ATOM 1056 CB SER A 66 11.483 -1.591 7.821 1.00 42.24 C ATOM 1057 OG SER A 66 11.570 -2.662 8.755 1.00 75.34 O ATOM 0 H SER A 66 11.116 -3.326 6.019 1.00 3.02 H new ATOM 0 HA SER A 66 9.322 -1.687 7.629 1.00 34.05 H new ATOM 0 HB2 SER A 66 12.354 -1.605 7.166 1.00 42.24 H new ATOM 0 HB3 SER A 66 11.500 -0.640 8.353 1.00 42.24 H new ATOM 0 HG SER A 66 12.395 -2.575 9.276 1.00 75.34 H new ATOM 1063 N PHE A 67 9.940 -0.687 4.713 1.00 41.45 N ATOM 1064 CA PHE A 67 9.571 0.338 3.685 1.00 43.23 C ATOM 1065 C PHE A 67 9.688 -0.240 2.253 1.00 61.31 C ATOM 1066 O PHE A 67 10.596 -1.028 1.959 1.00 21.04 O ATOM 1067 CB PHE A 67 10.372 1.688 3.781 1.00 73.14 C ATOM 1068 CG PHE A 67 11.899 1.597 3.641 1.00 62.23 C ATOM 1069 CD1 PHE A 67 12.516 1.652 2.389 1.00 14.52 C ATOM 1070 CD2 PHE A 67 12.720 1.493 4.767 1.00 71.42 C ATOM 1071 CE1 PHE A 67 13.888 1.608 2.271 1.00 73.23 C ATOM 1072 CE2 PHE A 67 14.092 1.443 4.646 1.00 24.01 C ATOM 1073 CZ PHE A 67 14.675 1.503 3.398 1.00 21.01 C ATOM 0 H PHE A 67 10.110 -1.607 4.308 1.00 41.45 H new ATOM 0 HA PHE A 67 8.533 0.587 3.906 1.00 43.23 H new ATOM 0 HB2 PHE A 67 9.999 2.360 3.008 1.00 73.14 H new ATOM 0 HB3 PHE A 67 10.146 2.150 4.742 1.00 73.14 H new ATOM 0 HD1 PHE A 67 11.908 1.730 1.500 1.00 14.52 H new ATOM 0 HD2 PHE A 67 12.272 1.451 5.749 1.00 71.42 H new ATOM 0 HE1 PHE A 67 14.347 1.656 1.295 1.00 73.23 H new ATOM 0 HE2 PHE A 67 14.710 1.357 5.528 1.00 24.01 H new ATOM 0 HZ PHE A 67 15.750 1.468 3.303 1.00 21.01 H new ATOM 1083 N ILE A 68 8.727 0.131 1.392 1.00 34.44 N ATOM 1084 CA ILE A 68 8.768 -0.126 -0.067 1.00 41.42 C ATOM 1085 C ILE A 68 7.958 0.967 -0.808 1.00 74.41 C ATOM 1086 O ILE A 68 6.964 1.459 -0.273 1.00 34.34 O ATOM 1087 CB ILE A 68 8.220 -1.565 -0.417 1.00 0.11 C ATOM 1088 CG1 ILE A 68 8.401 -1.882 -1.938 1.00 21.25 C ATOM 1089 CG2 ILE A 68 6.746 -1.743 0.035 1.00 53.23 C ATOM 1090 CD1 ILE A 68 7.915 -3.252 -2.363 1.00 4.44 C ATOM 0 H ILE A 68 7.885 0.625 1.688 1.00 34.44 H new ATOM 0 HA ILE A 68 9.806 -0.089 -0.396 1.00 41.42 H new ATOM 0 HB ILE A 68 8.813 -2.288 0.143 1.00 0.11 H new ATOM 0 HG12 ILE A 68 7.870 -1.127 -2.518 1.00 21.25 H new ATOM 0 HG13 ILE A 68 9.458 -1.792 -2.190 1.00 21.25 H new ATOM 0 HG21 ILE A 68 6.405 -2.746 -0.223 1.00 53.23 H new ATOM 0 HG22 ILE A 68 6.677 -1.603 1.114 1.00 53.23 H new ATOM 0 HG23 ILE A 68 6.120 -1.006 -0.468 1.00 53.23 H new ATOM 0 HD11 ILE A 68 8.081 -3.381 -3.432 1.00 4.44 H new ATOM 0 HD12 ILE A 68 8.463 -4.019 -1.815 1.00 4.44 H new ATOM 0 HD13 ILE A 68 6.850 -3.343 -2.148 1.00 4.44 H new ATOM 1102 N ARG A 69 8.399 1.377 -2.017 1.00 51.23 N ATOM 1103 CA ARG A 69 7.681 2.405 -2.814 1.00 31.13 C ATOM 1104 C ARG A 69 7.880 2.230 -4.344 1.00 15.21 C ATOM 1105 O ARG A 69 8.986 1.932 -4.816 1.00 23.32 O ATOM 1106 CB ARG A 69 8.085 3.848 -2.362 1.00 54.11 C ATOM 1107 CG ARG A 69 9.597 4.192 -2.437 1.00 12.14 C ATOM 1108 CD ARG A 69 10.424 3.732 -1.220 1.00 41.23 C ATOM 1109 NE ARG A 69 10.100 4.467 0.014 1.00 63.04 N ATOM 1110 CZ ARG A 69 10.946 4.718 0.996 1.00 12.23 C ATOM 1111 NH1 ARG A 69 12.203 4.406 0.908 1.00 60.42 N ATOM 1112 NH2 ARG A 69 10.536 5.315 2.057 1.00 43.34 N ATOM 0 H ARG A 69 9.243 1.017 -2.463 1.00 51.23 H new ATOM 0 HA ARG A 69 6.618 2.262 -2.618 1.00 31.13 H new ATOM 0 HB2 ARG A 69 7.540 4.565 -2.976 1.00 54.11 H new ATOM 0 HB3 ARG A 69 7.752 3.991 -1.334 1.00 54.11 H new ATOM 0 HG2 ARG A 69 10.015 3.738 -3.335 1.00 12.14 H new ATOM 0 HG3 ARG A 69 9.705 5.271 -2.546 1.00 12.14 H new ATOM 0 HD2 ARG A 69 10.255 2.668 -1.056 1.00 41.23 H new ATOM 0 HD3 ARG A 69 11.484 3.856 -1.441 1.00 41.23 H new ATOM 0 HE ARG A 69 9.145 4.810 0.119 1.00 63.04 H new ATOM 0 HH11 ARG A 69 12.559 3.955 0.065 1.00 60.42 H new ATOM 0 HH12 ARG A 69 12.835 4.611 1.682 1.00 60.42 H new ATOM 0 HH21 ARG A 69 9.558 5.594 2.140 1.00 43.34 H new ATOM 0 HH22 ARG A 69 11.188 5.510 2.817 1.00 43.34 H new ATOM 1126 N PHE A 70 6.779 2.430 -5.108 1.00 11.25 N ATOM 1127 CA PHE A 70 6.761 2.353 -6.596 1.00 0.55 C ATOM 1128 C PHE A 70 6.337 3.709 -7.205 1.00 33.41 C ATOM 1129 O PHE A 70 5.299 4.261 -6.817 1.00 4.33 O ATOM 1130 CB PHE A 70 5.750 1.278 -7.090 1.00 4.34 C ATOM 1131 CG PHE A 70 6.060 -0.159 -6.679 1.00 60.20 C ATOM 1132 CD1 PHE A 70 5.748 -0.617 -5.401 1.00 54.20 C ATOM 1133 CD2 PHE A 70 6.647 -1.057 -7.576 1.00 33.12 C ATOM 1134 CE1 PHE A 70 6.018 -1.914 -5.033 1.00 60.44 C ATOM 1135 CE2 PHE A 70 6.912 -2.358 -7.199 1.00 60.02 C ATOM 1136 CZ PHE A 70 6.599 -2.782 -5.928 1.00 5.53 C ATOM 0 H PHE A 70 5.867 2.652 -4.708 1.00 11.25 H new ATOM 0 HA PHE A 70 7.770 2.090 -6.914 1.00 0.55 H new ATOM 0 HB2 PHE A 70 4.760 1.538 -6.716 1.00 4.34 H new ATOM 0 HB3 PHE A 70 5.702 1.323 -8.178 1.00 4.34 H new ATOM 0 HD1 PHE A 70 5.289 0.055 -4.691 1.00 54.20 H new ATOM 0 HD2 PHE A 70 6.896 -0.729 -8.574 1.00 33.12 H new ATOM 0 HE1 PHE A 70 5.773 -2.253 -4.037 1.00 60.44 H new ATOM 0 HE2 PHE A 70 7.365 -3.043 -7.901 1.00 60.02 H new ATOM 0 HZ PHE A 70 6.810 -3.799 -5.632 1.00 5.53 H new ATOM 1146 N HIS A 71 7.125 4.226 -8.160 1.00 45.43 N ATOM 1147 CA HIS A 71 6.729 5.386 -8.990 1.00 54.24 C ATOM 1148 C HIS A 71 6.407 4.900 -10.419 1.00 73.14 C ATOM 1149 O HIS A 71 7.212 4.187 -11.028 1.00 74.22 O ATOM 1150 CB HIS A 71 7.852 6.454 -9.020 1.00 12.13 C ATOM 1151 CG HIS A 71 7.483 7.704 -9.781 1.00 61.12 C ATOM 1152 ND1 HIS A 71 7.738 7.873 -11.125 1.00 51.03 N ATOM 1153 CD2 HIS A 71 6.840 8.830 -9.387 1.00 2.34 C ATOM 1154 CE1 HIS A 71 7.269 9.038 -11.521 1.00 53.31 C ATOM 1155 NE2 HIS A 71 6.719 9.638 -10.488 1.00 22.15 N ATOM 0 H HIS A 71 8.050 3.858 -8.382 1.00 45.43 H new ATOM 0 HA HIS A 71 5.843 5.849 -8.555 1.00 54.24 H new ATOM 0 HB2 HIS A 71 8.110 6.726 -7.996 1.00 12.13 H new ATOM 0 HB3 HIS A 71 8.744 6.017 -9.468 1.00 12.13 H new ATOM 0 HD2 HIS A 71 6.488 9.050 -8.390 1.00 2.34 H new ATOM 0 HE1 HIS A 71 7.326 9.434 -12.524 1.00 53.31 H new ATOM 0 HE2 HIS A 71 6.274 10.556 -10.503 1.00 22.15 H new ATOM 1164 N TRP A 72 5.239 5.298 -10.949 1.00 4.34 N ATOM 1165 CA TRP A 72 4.793 4.888 -12.300 1.00 10.54 C ATOM 1166 C TRP A 72 5.669 5.536 -13.399 1.00 51.05 C ATOM 1167 O TRP A 72 5.942 6.738 -13.357 1.00 2.21 O ATOM 1168 CB TRP A 72 3.304 5.261 -12.534 1.00 42.21 C ATOM 1169 CG TRP A 72 2.328 4.586 -11.593 1.00 14.42 C ATOM 1170 CD1 TRP A 72 2.035 4.951 -10.306 1.00 51.21 C ATOM 1171 CD2 TRP A 72 1.500 3.443 -11.875 1.00 74.01 C ATOM 1172 NE1 TRP A 72 1.091 4.112 -9.779 1.00 43.14 N ATOM 1173 CE2 TRP A 72 0.744 3.179 -10.717 1.00 54.24 C ATOM 1174 CE3 TRP A 72 1.324 2.620 -12.994 1.00 34.32 C ATOM 1175 CZ2 TRP A 72 -0.173 2.132 -10.641 1.00 55.32 C ATOM 1176 CZ3 TRP A 72 0.414 1.578 -12.918 1.00 3.35 C ATOM 1177 CH2 TRP A 72 -0.325 1.342 -11.749 1.00 33.21 C ATOM 0 H TRP A 72 4.580 5.906 -10.463 1.00 4.34 H new ATOM 0 HA TRP A 72 4.899 3.805 -12.360 1.00 10.54 H new ATOM 0 HB2 TRP A 72 3.194 6.341 -12.436 1.00 42.21 H new ATOM 0 HB3 TRP A 72 3.036 5.005 -13.559 1.00 42.21 H new ATOM 0 HD1 TRP A 72 2.484 5.782 -9.782 1.00 51.21 H new ATOM 0 HE1 TRP A 72 0.707 4.173 -8.836 1.00 43.14 H new ATOM 0 HE3 TRP A 72 1.887 2.794 -13.899 1.00 34.32 H new ATOM 0 HZ2 TRP A 72 -0.743 1.951 -9.741 1.00 55.32 H new ATOM 0 HZ3 TRP A 72 0.271 0.936 -13.774 1.00 3.35 H new ATOM 0 HH2 TRP A 72 -1.027 0.522 -11.723 1.00 33.21 H new ATOM 1188 N LEU A 73 6.109 4.721 -14.377 1.00 32.20 N ATOM 1189 CA LEU A 73 6.807 5.211 -15.590 1.00 24.42 C ATOM 1190 C LEU A 73 5.805 5.871 -16.588 1.00 40.43 C ATOM 1191 O LEU A 73 6.206 6.504 -17.574 1.00 72.34 O ATOM 1192 CB LEU A 73 7.583 4.043 -16.263 1.00 74.11 C ATOM 1193 CG LEU A 73 8.654 3.324 -15.372 1.00 71.34 C ATOM 1194 CD1 LEU A 73 9.416 2.250 -16.175 1.00 34.52 C ATOM 1195 CD2 LEU A 73 9.632 4.333 -14.719 1.00 4.21 C ATOM 0 H LEU A 73 5.993 3.708 -14.353 1.00 32.20 H new ATOM 0 HA LEU A 73 7.522 5.978 -15.294 1.00 24.42 H new ATOM 0 HB2 LEU A 73 6.860 3.299 -16.599 1.00 74.11 H new ATOM 0 HB3 LEU A 73 8.080 4.429 -17.153 1.00 74.11 H new ATOM 0 HG LEU A 73 8.119 2.824 -14.565 1.00 71.34 H new ATOM 0 HD11 LEU A 73 10.152 1.768 -15.531 1.00 34.52 H new ATOM 0 HD12 LEU A 73 8.712 1.504 -16.543 1.00 34.52 H new ATOM 0 HD13 LEU A 73 9.923 2.718 -17.019 1.00 34.52 H new ATOM 0 HD21 LEU A 73 10.358 3.794 -14.110 1.00 4.21 H new ATOM 0 HD22 LEU A 73 10.154 4.890 -15.497 1.00 4.21 H new ATOM 0 HD23 LEU A 73 9.073 5.026 -14.089 1.00 4.21 H new ATOM 1207 N ASP A 74 4.495 5.697 -16.308 1.00 75.43 N ATOM 1208 CA ASP A 74 3.400 6.389 -17.024 1.00 14.55 C ATOM 1209 C ASP A 74 3.119 7.787 -16.382 1.00 32.03 C ATOM 1210 O ASP A 74 2.301 8.571 -16.879 1.00 33.45 O ATOM 1211 CB ASP A 74 2.136 5.484 -16.995 1.00 21.13 C ATOM 1212 CG ASP A 74 1.126 5.801 -18.116 1.00 72.02 C ATOM 1213 OD1 ASP A 74 1.327 5.318 -19.252 1.00 73.12 O ATOM 1214 OD2 ASP A 74 0.129 6.503 -17.869 1.00 25.24 O ATOM 0 H ASP A 74 4.165 5.069 -15.575 1.00 75.43 H new ATOM 0 HA ASP A 74 3.687 6.566 -18.061 1.00 14.55 H new ATOM 0 HB2 ASP A 74 2.443 4.442 -17.078 1.00 21.13 H new ATOM 0 HB3 ASP A 74 1.642 5.595 -16.030 1.00 21.13 H new ATOM 1219 N ASP A 75 3.827 8.083 -15.267 1.00 3.52 N ATOM 1220 CA ASP A 75 3.776 9.383 -14.562 1.00 70.34 C ATOM 1221 C ASP A 75 5.166 10.077 -14.599 1.00 60.12 C ATOM 1222 O ASP A 75 6.199 9.415 -14.711 1.00 2.33 O ATOM 1223 CB ASP A 75 3.306 9.161 -13.095 1.00 20.35 C ATOM 1224 CG ASP A 75 3.336 10.441 -12.233 1.00 21.02 C ATOM 1225 OD1 ASP A 75 2.718 11.455 -12.633 1.00 21.15 O ATOM 1226 OD2 ASP A 75 3.975 10.441 -11.160 1.00 52.33 O ATOM 0 H ASP A 75 4.459 7.414 -14.826 1.00 3.52 H new ATOM 0 HA ASP A 75 3.063 10.036 -15.065 1.00 70.34 H new ATOM 0 HB2 ASP A 75 2.291 8.764 -13.104 1.00 20.35 H new ATOM 0 HB3 ASP A 75 3.940 8.406 -12.630 1.00 20.35 H new ATOM 1231 N GLU A 76 5.172 11.418 -14.481 1.00 62.24 N ATOM 1232 CA GLU A 76 6.405 12.247 -14.547 1.00 71.33 C ATOM 1233 C GLU A 76 6.591 13.143 -13.288 1.00 34.43 C ATOM 1234 O GLU A 76 7.515 13.965 -13.240 1.00 62.02 O ATOM 1235 CB GLU A 76 6.347 13.130 -15.826 1.00 34.04 C ATOM 1236 CG GLU A 76 5.128 14.079 -15.904 1.00 24.12 C ATOM 1237 CD GLU A 76 5.200 15.063 -17.086 1.00 1.23 C ATOM 1238 OE1 GLU A 76 5.775 16.157 -16.919 1.00 33.24 O ATOM 1239 OE2 GLU A 76 4.697 14.742 -18.184 1.00 32.03 O ATOM 0 H GLU A 76 4.323 11.965 -14.337 1.00 62.24 H new ATOM 0 HA GLU A 76 7.262 11.574 -14.582 1.00 71.33 H new ATOM 0 HB2 GLU A 76 7.258 13.726 -15.881 1.00 34.04 H new ATOM 0 HB3 GLU A 76 6.339 12.479 -16.700 1.00 34.04 H new ATOM 0 HG2 GLU A 76 4.218 13.485 -15.989 1.00 24.12 H new ATOM 0 HG3 GLU A 76 5.055 14.643 -14.974 1.00 24.12 H new ATOM 1246 N ASN A 77 5.733 12.954 -12.267 1.00 22.52 N ATOM 1247 CA ASN A 77 5.652 13.863 -11.091 1.00 52.32 C ATOM 1248 C ASN A 77 6.363 13.251 -9.852 1.00 22.30 C ATOM 1249 O ASN A 77 6.033 12.144 -9.427 1.00 44.44 O ATOM 1250 CB ASN A 77 4.153 14.150 -10.776 1.00 0.22 C ATOM 1251 CG ASN A 77 3.906 15.371 -9.881 1.00 30.11 C ATOM 1252 OD1 ASN A 77 4.703 15.722 -9.019 1.00 62.22 O ATOM 1253 ND2 ASN A 77 2.785 16.036 -10.093 1.00 4.24 N ATOM 0 H ASN A 77 5.077 12.174 -12.227 1.00 22.52 H new ATOM 0 HA ASN A 77 6.164 14.796 -11.329 1.00 52.32 H new ATOM 0 HB2 ASN A 77 3.620 14.292 -11.716 1.00 0.22 H new ATOM 0 HB3 ASN A 77 3.723 13.272 -10.295 1.00 0.22 H new ATOM 0 HD21 ASN A 77 2.568 16.861 -9.533 1.00 4.24 H new ATOM 0 HD22 ASN A 77 2.137 15.725 -10.816 1.00 4.24 H new ATOM 1260 N GLU A 78 7.330 13.999 -9.276 1.00 14.35 N ATOM 1261 CA GLU A 78 8.020 13.604 -8.017 1.00 62.45 C ATOM 1262 C GLU A 78 7.079 13.731 -6.793 1.00 41.12 C ATOM 1263 O GLU A 78 6.099 14.481 -6.843 1.00 14.04 O ATOM 1264 CB GLU A 78 9.283 14.470 -7.792 1.00 3.24 C ATOM 1265 CG GLU A 78 10.318 14.395 -8.928 1.00 21.14 C ATOM 1266 CD GLU A 78 11.600 15.199 -8.637 1.00 15.53 C ATOM 1267 OE1 GLU A 78 11.571 16.448 -8.749 1.00 14.53 O ATOM 1268 OE2 GLU A 78 12.638 14.589 -8.287 1.00 41.54 O ATOM 0 H GLU A 78 7.655 14.885 -9.662 1.00 14.35 H new ATOM 0 HA GLU A 78 8.314 12.559 -8.121 1.00 62.45 H new ATOM 0 HB2 GLU A 78 8.978 15.509 -7.663 1.00 3.24 H new ATOM 0 HB3 GLU A 78 9.760 14.160 -6.862 1.00 3.24 H new ATOM 0 HG2 GLU A 78 10.583 13.352 -9.101 1.00 21.14 H new ATOM 0 HG3 GLU A 78 9.866 14.766 -9.848 1.00 21.14 H new ATOM 1275 N ARG A 79 7.409 12.990 -5.702 1.00 75.33 N ATOM 1276 CA ARG A 79 6.598 12.890 -4.446 1.00 72.11 C ATOM 1277 C ARG A 79 5.350 11.995 -4.641 1.00 53.40 C ATOM 1278 O ARG A 79 5.078 11.129 -3.810 1.00 33.25 O ATOM 1279 CB ARG A 79 6.218 14.286 -3.870 1.00 50.00 C ATOM 1280 CG ARG A 79 7.437 15.149 -3.452 1.00 53.33 C ATOM 1281 CD ARG A 79 7.106 16.652 -3.358 1.00 34.33 C ATOM 1282 NE ARG A 79 6.711 17.206 -4.668 1.00 15.50 N ATOM 1283 CZ ARG A 79 7.522 17.754 -5.553 1.00 3.23 C ATOM 1284 NH1 ARG A 79 8.796 17.887 -5.325 1.00 54.12 N ATOM 1285 NH2 ARG A 79 7.038 18.173 -6.676 1.00 73.33 N ATOM 0 H ARG A 79 8.262 12.432 -5.664 1.00 75.33 H new ATOM 0 HA ARG A 79 7.234 12.409 -3.703 1.00 72.11 H new ATOM 0 HB2 ARG A 79 5.639 14.830 -4.616 1.00 50.00 H new ATOM 0 HB3 ARG A 79 5.571 14.146 -3.004 1.00 50.00 H new ATOM 0 HG2 ARG A 79 7.807 14.803 -2.487 1.00 53.33 H new ATOM 0 HG3 ARG A 79 8.242 15.004 -4.172 1.00 53.33 H new ATOM 0 HD2 ARG A 79 6.299 16.803 -2.641 1.00 34.33 H new ATOM 0 HD3 ARG A 79 7.974 17.193 -2.981 1.00 34.33 H new ATOM 0 HE ARG A 79 5.721 17.161 -4.911 1.00 15.50 H new ATOM 0 HH11 ARG A 79 9.193 17.564 -4.443 1.00 54.12 H new ATOM 0 HH12 ARG A 79 9.398 18.315 -6.029 1.00 54.12 H new ATOM 0 HH21 ARG A 79 6.041 18.078 -6.869 1.00 73.33 H new ATOM 0 HH22 ARG A 79 7.653 18.599 -7.369 1.00 73.33 H new ATOM 1299 N ASP A 80 4.613 12.200 -5.744 1.00 42.03 N ATOM 1300 CA ASP A 80 3.452 11.376 -6.114 1.00 62.30 C ATOM 1301 C ASP A 80 3.861 9.932 -6.488 1.00 4.12 C ATOM 1302 O ASP A 80 4.223 9.643 -7.634 1.00 63.42 O ATOM 1303 CB ASP A 80 2.678 12.058 -7.275 1.00 54.11 C ATOM 1304 CG ASP A 80 2.080 13.427 -6.911 1.00 73.24 C ATOM 1305 OD1 ASP A 80 2.095 13.824 -5.722 1.00 31.01 O ATOM 1306 OD2 ASP A 80 1.551 14.100 -7.810 1.00 11.21 O ATOM 0 H ASP A 80 4.808 12.948 -6.409 1.00 42.03 H new ATOM 0 HA ASP A 80 2.798 11.299 -5.245 1.00 62.30 H new ATOM 0 HB2 ASP A 80 3.351 12.181 -8.123 1.00 54.11 H new ATOM 0 HB3 ASP A 80 1.874 11.397 -7.599 1.00 54.11 H new ATOM 1311 N TYR A 81 3.845 9.059 -5.477 1.00 3.05 N ATOM 1312 CA TYR A 81 4.066 7.608 -5.622 1.00 1.34 C ATOM 1313 C TYR A 81 3.336 6.848 -4.489 1.00 70.53 C ATOM 1314 O TYR A 81 2.957 7.450 -3.474 1.00 63.23 O ATOM 1315 CB TYR A 81 5.593 7.267 -5.644 1.00 53.43 C ATOM 1316 CG TYR A 81 6.416 7.708 -4.415 1.00 31.33 C ATOM 1317 CD1 TYR A 81 6.342 7.014 -3.203 1.00 24.34 C ATOM 1318 CD2 TYR A 81 7.282 8.806 -4.469 1.00 44.34 C ATOM 1319 CE1 TYR A 81 7.083 7.398 -2.107 1.00 22.04 C ATOM 1320 CE2 TYR A 81 8.028 9.190 -3.363 1.00 10.50 C ATOM 1321 CZ TYR A 81 7.922 8.482 -2.184 1.00 41.25 C ATOM 1322 OH TYR A 81 8.659 8.841 -1.078 1.00 21.21 O ATOM 0 H TYR A 81 3.675 9.342 -4.512 1.00 3.05 H new ATOM 0 HA TYR A 81 3.651 7.287 -6.577 1.00 1.34 H new ATOM 0 HB2 TYR A 81 5.700 6.188 -5.757 1.00 53.43 H new ATOM 0 HB3 TYR A 81 6.032 7.725 -6.530 1.00 53.43 H new ATOM 0 HD1 TYR A 81 5.689 6.157 -3.125 1.00 24.34 H new ATOM 0 HD2 TYR A 81 7.372 9.365 -5.389 1.00 44.34 H new ATOM 0 HE1 TYR A 81 7.004 6.844 -1.183 1.00 22.04 H new ATOM 0 HE2 TYR A 81 8.690 10.041 -3.426 1.00 10.50 H new ATOM 0 HH TYR A 81 8.528 8.178 -0.368 1.00 21.21 H new ATOM 1332 N PHE A 82 3.161 5.528 -4.656 1.00 14.01 N ATOM 1333 CA PHE A 82 2.552 4.669 -3.619 1.00 21.21 C ATOM 1334 C PHE A 82 3.656 4.049 -2.739 1.00 61.33 C ATOM 1335 O PHE A 82 4.428 3.202 -3.206 1.00 40.33 O ATOM 1336 CB PHE A 82 1.676 3.567 -4.278 1.00 35.52 C ATOM 1337 CG PHE A 82 0.430 4.116 -4.978 1.00 22.45 C ATOM 1338 CD1 PHE A 82 0.480 4.553 -6.305 1.00 13.52 C ATOM 1339 CD2 PHE A 82 -0.785 4.215 -4.300 1.00 75.24 C ATOM 1340 CE1 PHE A 82 -0.647 5.057 -6.928 1.00 31.55 C ATOM 1341 CE2 PHE A 82 -1.910 4.718 -4.926 1.00 74.23 C ATOM 1342 CZ PHE A 82 -1.841 5.143 -6.238 1.00 5.33 C ATOM 0 H PHE A 82 3.433 5.027 -5.502 1.00 14.01 H new ATOM 0 HA PHE A 82 1.906 5.275 -2.984 1.00 21.21 H new ATOM 0 HB2 PHE A 82 2.279 3.020 -5.003 1.00 35.52 H new ATOM 0 HB3 PHE A 82 1.369 2.853 -3.514 1.00 35.52 H new ATOM 0 HD1 PHE A 82 1.410 4.496 -6.850 1.00 13.52 H new ATOM 0 HD2 PHE A 82 -0.848 3.894 -3.271 1.00 75.24 H new ATOM 0 HE1 PHE A 82 -0.594 5.384 -7.956 1.00 31.55 H new ATOM 0 HE2 PHE A 82 -2.845 4.779 -4.388 1.00 74.23 H new ATOM 0 HZ PHE A 82 -2.719 5.542 -6.724 1.00 5.33 H new ATOM 1352 N GLU A 83 3.737 4.494 -1.471 1.00 71.11 N ATOM 1353 CA GLU A 83 4.674 3.947 -0.467 1.00 44.44 C ATOM 1354 C GLU A 83 3.907 3.202 0.629 1.00 72.30 C ATOM 1355 O GLU A 83 2.930 3.716 1.165 1.00 43.52 O ATOM 1356 CB GLU A 83 5.506 5.084 0.165 1.00 11.32 C ATOM 1357 CG GLU A 83 6.556 4.613 1.190 1.00 2.31 C ATOM 1358 CD GLU A 83 7.359 5.763 1.804 1.00 75.35 C ATOM 1359 OE1 GLU A 83 8.031 6.502 1.045 1.00 41.50 O ATOM 1360 OE2 GLU A 83 7.356 5.921 3.042 1.00 25.43 O ATOM 0 H GLU A 83 3.152 5.247 -1.111 1.00 71.11 H new ATOM 0 HA GLU A 83 5.345 3.249 -0.969 1.00 44.44 H new ATOM 0 HB2 GLU A 83 6.013 5.632 -0.630 1.00 11.32 H new ATOM 0 HB3 GLU A 83 4.829 5.785 0.653 1.00 11.32 H new ATOM 0 HG2 GLU A 83 6.055 4.063 1.986 1.00 2.31 H new ATOM 0 HG3 GLU A 83 7.242 3.918 0.705 1.00 2.31 H new ATOM 1367 N ILE A 84 4.349 1.980 0.955 1.00 55.23 N ATOM 1368 CA ILE A 84 3.735 1.155 2.008 1.00 44.25 C ATOM 1369 C ILE A 84 4.835 0.598 2.948 1.00 45.34 C ATOM 1370 O ILE A 84 5.871 0.113 2.499 1.00 44.43 O ATOM 1371 CB ILE A 84 2.865 -0.033 1.425 1.00 41.41 C ATOM 1372 CG1 ILE A 84 1.769 0.471 0.403 1.00 33.45 C ATOM 1373 CG2 ILE A 84 2.205 -0.829 2.575 1.00 33.35 C ATOM 1374 CD1 ILE A 84 2.227 0.599 -1.042 1.00 30.13 C ATOM 0 H ILE A 84 5.143 1.534 0.496 1.00 55.23 H new ATOM 0 HA ILE A 84 3.057 1.799 2.568 1.00 44.25 H new ATOM 0 HB ILE A 84 3.540 -0.688 0.875 1.00 41.41 H new ATOM 0 HG12 ILE A 84 0.923 -0.215 0.438 1.00 33.45 H new ATOM 0 HG13 ILE A 84 1.405 1.443 0.738 1.00 33.45 H new ATOM 0 HG21 ILE A 84 1.610 -1.642 2.160 1.00 33.35 H new ATOM 0 HG22 ILE A 84 2.978 -1.240 3.224 1.00 33.35 H new ATOM 0 HG23 ILE A 84 1.561 -0.167 3.153 1.00 33.35 H new ATOM 0 HD11 ILE A 84 1.398 0.951 -1.656 1.00 30.13 H new ATOM 0 HD12 ILE A 84 3.051 1.310 -1.101 1.00 30.13 H new ATOM 0 HD13 ILE A 84 2.560 -0.373 -1.405 1.00 30.13 H new ATOM 1386 N LYS A 85 4.600 0.724 4.252 1.00 52.31 N ATOM 1387 CA LYS A 85 5.482 0.223 5.316 1.00 33.20 C ATOM 1388 C LYS A 85 4.665 -0.655 6.290 1.00 21.44 C ATOM 1389 O LYS A 85 3.438 -0.543 6.340 1.00 10.25 O ATOM 1390 CB LYS A 85 6.088 1.462 6.040 1.00 50.42 C ATOM 1391 CG LYS A 85 6.953 1.165 7.285 1.00 40.41 C ATOM 1392 CD LYS A 85 7.572 2.444 7.902 1.00 71.32 C ATOM 1393 CE LYS A 85 8.448 2.141 9.130 1.00 45.13 C ATOM 1394 NZ LYS A 85 7.679 1.483 10.220 1.00 50.20 N ATOM 0 H LYS A 85 3.768 1.190 4.613 1.00 52.31 H new ATOM 0 HA LYS A 85 6.285 -0.394 4.913 1.00 33.20 H new ATOM 0 HB2 LYS A 85 6.696 2.015 5.324 1.00 50.42 H new ATOM 0 HB3 LYS A 85 5.271 2.119 6.338 1.00 50.42 H new ATOM 0 HG2 LYS A 85 6.342 0.664 8.036 1.00 40.41 H new ATOM 0 HG3 LYS A 85 7.752 0.475 7.011 1.00 40.41 H new ATOM 0 HD2 LYS A 85 8.172 2.953 7.148 1.00 71.32 H new ATOM 0 HD3 LYS A 85 6.774 3.128 8.189 1.00 71.32 H new ATOM 0 HE2 LYS A 85 9.277 1.498 8.833 1.00 45.13 H new ATOM 0 HE3 LYS A 85 8.882 3.069 9.503 1.00 45.13 H new ATOM 0 HZ1 LYS A 85 8.036 1.808 11.141 1.00 50.20 H new ATOM 0 HZ2 LYS A 85 6.672 1.729 10.132 1.00 50.20 H new ATOM 0 HZ3 LYS A 85 7.790 0.451 10.150 1.00 50.20 H new ATOM 1408 N MET A 86 5.333 -1.546 7.037 1.00 10.40 N ATOM 1409 CA MET A 86 4.723 -2.231 8.189 1.00 43.41 C ATOM 1410 C MET A 86 5.777 -2.457 9.286 1.00 41.10 C ATOM 1411 O MET A 86 6.987 -2.453 9.025 1.00 11.30 O ATOM 1412 CB MET A 86 4.035 -3.573 7.795 1.00 42.50 C ATOM 1413 CG MET A 86 4.923 -4.577 7.039 1.00 34.12 C ATOM 1414 SD MET A 86 4.954 -4.314 5.258 1.00 31.44 S ATOM 1415 CE MET A 86 3.265 -4.739 4.856 1.00 22.01 C ATOM 0 H MET A 86 6.302 -1.811 6.863 1.00 10.40 H new ATOM 0 HA MET A 86 3.936 -1.582 8.574 1.00 43.41 H new ATOM 0 HB2 MET A 86 3.667 -4.052 8.702 1.00 42.50 H new ATOM 0 HB3 MET A 86 3.165 -3.348 7.178 1.00 42.50 H new ATOM 0 HG2 MET A 86 5.940 -4.512 7.425 1.00 34.12 H new ATOM 0 HG3 MET A 86 4.569 -5.588 7.242 1.00 34.12 H new ATOM 0 HE1 MET A 86 3.247 -5.336 3.944 1.00 22.01 H new ATOM 0 HE2 MET A 86 2.830 -5.313 5.674 1.00 22.01 H new ATOM 0 HE3 MET A 86 2.687 -3.828 4.705 1.00 22.01 H new ATOM 1425 N SER A 87 5.295 -2.644 10.515 1.00 50.43 N ATOM 1426 CA SER A 87 6.150 -2.842 11.706 1.00 63.10 C ATOM 1427 C SER A 87 5.587 -3.976 12.575 1.00 41.44 C ATOM 1428 O SER A 87 4.389 -3.996 12.850 1.00 25.12 O ATOM 1429 CB SER A 87 6.219 -1.533 12.525 1.00 61.03 C ATOM 1430 OG SER A 87 6.965 -1.700 13.722 1.00 62.24 O ATOM 0 H SER A 87 4.297 -2.664 10.723 1.00 50.43 H new ATOM 0 HA SER A 87 7.155 -3.112 11.381 1.00 63.10 H new ATOM 0 HB2 SER A 87 6.673 -0.749 11.920 1.00 61.03 H new ATOM 0 HB3 SER A 87 5.209 -1.203 12.769 1.00 61.03 H new ATOM 0 HG SER A 87 6.989 -0.852 14.213 1.00 62.24 H new ATOM 1436 N TYR A 88 6.458 -4.887 13.042 1.00 62.33 N ATOM 1437 CA TYR A 88 6.038 -6.036 13.870 1.00 45.02 C ATOM 1438 C TYR A 88 6.259 -5.701 15.363 1.00 41.33 C ATOM 1439 O TYR A 88 7.401 -5.538 15.807 1.00 64.32 O ATOM 1440 CB TYR A 88 6.813 -7.321 13.466 1.00 54.20 C ATOM 1441 CG TYR A 88 6.344 -8.602 14.194 1.00 41.43 C ATOM 1442 CD1 TYR A 88 4.994 -8.959 14.212 1.00 50.23 C ATOM 1443 CD2 TYR A 88 7.242 -9.454 14.846 1.00 41.13 C ATOM 1444 CE1 TYR A 88 4.563 -10.104 14.845 1.00 21.14 C ATOM 1445 CE2 TYR A 88 6.810 -10.603 15.484 1.00 3.33 C ATOM 1446 CZ TYR A 88 5.468 -10.922 15.478 1.00 73.25 C ATOM 1447 OH TYR A 88 5.027 -12.068 16.103 1.00 33.02 O ATOM 0 H TYR A 88 7.461 -4.851 12.861 1.00 62.33 H new ATOM 0 HA TYR A 88 4.978 -6.228 13.704 1.00 45.02 H new ATOM 0 HB2 TYR A 88 6.711 -7.470 12.391 1.00 54.20 H new ATOM 0 HB3 TYR A 88 7.874 -7.170 13.668 1.00 54.20 H new ATOM 0 HD1 TYR A 88 4.273 -8.324 13.719 1.00 50.23 H new ATOM 0 HD2 TYR A 88 8.294 -9.210 14.851 1.00 41.13 H new ATOM 0 HE1 TYR A 88 3.514 -10.359 14.844 1.00 21.14 H new ATOM 0 HE2 TYR A 88 7.519 -11.246 15.984 1.00 3.33 H new ATOM 0 HH TYR A 88 5.789 -12.537 16.502 1.00 33.02 H new ATOM 1457 N ASN A 89 5.160 -5.595 16.125 1.00 34.43 N ATOM 1458 CA ASN A 89 5.200 -5.208 17.554 1.00 3.44 C ATOM 1459 C ASN A 89 5.754 -6.335 18.475 1.00 23.10 C ATOM 1460 O ASN A 89 6.111 -6.063 19.625 1.00 22.12 O ATOM 1461 CB ASN A 89 3.788 -4.773 18.014 1.00 40.14 C ATOM 1462 CG ASN A 89 3.314 -3.475 17.356 1.00 40.11 C ATOM 1463 OD1 ASN A 89 2.628 -3.574 16.242 1.00 51.20 O flip ATOM 1464 ND2 ASN A 89 3.569 -2.386 17.854 1.00 64.43 N flip ATOM 0 H ASN A 89 4.219 -5.773 15.775 1.00 34.43 H new ATOM 0 HA ASN A 89 5.893 -4.372 17.645 1.00 3.44 H new ATOM 0 HB2 ASN A 89 3.078 -5.568 17.787 1.00 40.14 H new ATOM 0 HB3 ASN A 89 3.789 -4.645 19.096 1.00 40.14 H new ATOM 0 HD21 ASN A 89 4.104 -2.334 18.721 1.00 64.43 H new ATOM 0 HD22 ASN A 89 3.246 -1.530 17.402 1.00 64.43 H new ATOM 1471 N GLU A 90 5.808 -7.581 17.945 1.00 13.33 N ATOM 1472 CA GLU A 90 6.403 -8.773 18.614 1.00 55.34 C ATOM 1473 C GLU A 90 5.626 -9.233 19.874 1.00 64.31 C ATOM 1474 O GLU A 90 4.859 -10.202 19.810 1.00 4.43 O ATOM 1475 CB GLU A 90 7.910 -8.555 18.933 1.00 13.42 C ATOM 1476 CG GLU A 90 8.619 -9.772 19.563 1.00 74.24 C ATOM 1477 CD GLU A 90 10.102 -9.512 19.876 1.00 34.24 C ATOM 1478 OE1 GLU A 90 10.396 -8.769 20.836 1.00 14.34 O ATOM 1479 OE2 GLU A 90 10.983 -10.041 19.171 1.00 42.44 O ATOM 0 H GLU A 90 5.432 -7.794 17.021 1.00 13.33 H new ATOM 0 HA GLU A 90 6.317 -9.587 17.894 1.00 55.34 H new ATOM 0 HB2 GLU A 90 8.427 -8.287 18.012 1.00 13.42 H new ATOM 0 HB3 GLU A 90 8.005 -7.706 19.610 1.00 13.42 H new ATOM 0 HG2 GLU A 90 8.103 -10.049 20.482 1.00 74.24 H new ATOM 0 HG3 GLU A 90 8.541 -10.622 18.885 1.00 74.24 H new ATOM 1486 N LEU A 91 5.792 -8.499 21.000 1.00 45.11 N ATOM 1487 CA LEU A 91 5.268 -8.899 22.328 1.00 22.04 C ATOM 1488 C LEU A 91 3.723 -8.833 22.392 1.00 61.12 C ATOM 1489 O LEU A 91 3.103 -9.400 23.303 1.00 54.24 O ATOM 1490 CB LEU A 91 5.887 -7.998 23.431 1.00 23.50 C ATOM 1491 CG LEU A 91 7.451 -7.936 23.487 1.00 32.00 C ATOM 1492 CD1 LEU A 91 7.939 -7.049 24.655 1.00 13.14 C ATOM 1493 CD2 LEU A 91 8.073 -9.351 23.557 1.00 55.32 C ATOM 0 H LEU A 91 6.294 -7.611 21.013 1.00 45.11 H new ATOM 0 HA LEU A 91 5.554 -9.937 22.496 1.00 22.04 H new ATOM 0 HB2 LEU A 91 5.510 -6.984 23.295 1.00 23.50 H new ATOM 0 HB3 LEU A 91 5.525 -8.345 24.398 1.00 23.50 H new ATOM 0 HG LEU A 91 7.791 -7.475 22.560 1.00 32.00 H new ATOM 0 HD11 LEU A 91 9.029 -7.028 24.665 1.00 13.14 H new ATOM 0 HD12 LEU A 91 7.557 -6.036 24.527 1.00 13.14 H new ATOM 0 HD13 LEU A 91 7.575 -7.457 25.598 1.00 13.14 H new ATOM 0 HD21 LEU A 91 9.159 -9.269 23.595 1.00 55.32 H new ATOM 0 HD22 LEU A 91 7.716 -9.861 24.452 1.00 55.32 H new ATOM 0 HD23 LEU A 91 7.782 -9.920 22.674 1.00 55.32 H new ATOM 1505 N THR A 92 3.114 -8.139 21.414 1.00 21.42 N ATOM 1506 CA THR A 92 1.643 -8.030 21.287 1.00 73.41 C ATOM 1507 C THR A 92 1.160 -8.516 19.891 1.00 22.32 C ATOM 1508 O THR A 92 -0.034 -8.481 19.582 1.00 21.11 O ATOM 1509 CB THR A 92 1.140 -6.576 21.615 1.00 14.52 C ATOM 1510 OG1 THR A 92 -0.277 -6.451 21.389 1.00 74.43 O ATOM 1511 CG2 THR A 92 1.883 -5.496 20.820 1.00 11.40 C ATOM 0 H THR A 92 3.624 -7.637 20.688 1.00 21.42 H new ATOM 0 HA THR A 92 1.196 -8.692 22.029 1.00 73.41 H new ATOM 0 HB THR A 92 1.354 -6.417 22.672 1.00 14.52 H new ATOM 0 HG1 THR A 92 -0.555 -7.084 20.694 1.00 74.43 H new ATOM 0 HG21 THR A 92 1.493 -4.514 21.088 1.00 11.40 H new ATOM 0 HG22 THR A 92 2.947 -5.540 21.053 1.00 11.40 H new ATOM 0 HG23 THR A 92 1.738 -5.665 19.753 1.00 11.40 H new ATOM 1519 N GLY A 93 2.119 -8.975 19.050 1.00 74.50 N ATOM 1520 CA GLY A 93 1.817 -9.752 17.831 1.00 11.22 C ATOM 1521 C GLY A 93 1.352 -8.953 16.598 1.00 71.54 C ATOM 1522 O GLY A 93 1.638 -9.357 15.469 1.00 24.21 O ATOM 0 H GLY A 93 3.115 -8.816 19.199 1.00 74.50 H new ATOM 0 HA2 GLY A 93 2.710 -10.314 17.556 1.00 11.22 H new ATOM 0 HA3 GLY A 93 1.044 -10.481 18.075 1.00 11.22 H new ATOM 1526 N ASP A 94 0.624 -7.840 16.791 1.00 41.05 N ATOM 1527 CA ASP A 94 0.019 -7.078 15.673 1.00 42.21 C ATOM 1528 C ASP A 94 1.061 -6.320 14.807 1.00 41.33 C ATOM 1529 O ASP A 94 2.273 -6.314 15.091 1.00 25.12 O ATOM 1530 CB ASP A 94 -1.053 -6.099 16.219 1.00 13.21 C ATOM 1531 CG ASP A 94 -0.469 -5.058 17.178 1.00 24.30 C ATOM 1532 OD1 ASP A 94 -0.284 -5.381 18.370 1.00 72.43 O ATOM 1533 OD2 ASP A 94 -0.188 -3.918 16.744 1.00 1.34 O ATOM 0 H ASP A 94 0.437 -7.443 17.712 1.00 41.05 H new ATOM 0 HA ASP A 94 -0.449 -7.807 15.012 1.00 42.21 H new ATOM 0 HB2 ASP A 94 -1.532 -5.589 15.384 1.00 13.21 H new ATOM 0 HB3 ASP A 94 -1.829 -6.666 16.733 1.00 13.21 H new ATOM 1538 N TYR A 95 0.554 -5.689 13.736 1.00 43.55 N ATOM 1539 CA TYR A 95 1.343 -4.847 12.815 1.00 45.42 C ATOM 1540 C TYR A 95 0.850 -3.391 12.839 1.00 64.42 C ATOM 1541 O TYR A 95 -0.362 -3.137 12.812 1.00 4.31 O ATOM 1542 CB TYR A 95 1.271 -5.402 11.358 1.00 75.04 C ATOM 1543 CG TYR A 95 2.287 -6.514 11.055 1.00 23.32 C ATOM 1544 CD1 TYR A 95 2.106 -7.811 11.532 1.00 45.22 C ATOM 1545 CD2 TYR A 95 3.443 -6.248 10.309 1.00 4.44 C ATOM 1546 CE1 TYR A 95 3.032 -8.798 11.272 1.00 30.24 C ATOM 1547 CE2 TYR A 95 4.366 -7.233 10.048 1.00 34.04 C ATOM 1548 CZ TYR A 95 4.163 -8.505 10.534 1.00 52.35 C ATOM 1549 OH TYR A 95 5.086 -9.492 10.265 1.00 52.21 O ATOM 0 H TYR A 95 -0.431 -5.749 13.479 1.00 43.55 H new ATOM 0 HA TYR A 95 2.379 -4.871 13.153 1.00 45.42 H new ATOM 0 HB2 TYR A 95 0.266 -5.784 11.176 1.00 75.04 H new ATOM 0 HB3 TYR A 95 1.430 -4.580 10.660 1.00 75.04 H new ATOM 0 HD1 TYR A 95 1.227 -8.046 12.114 1.00 45.22 H new ATOM 0 HD2 TYR A 95 3.612 -5.250 9.932 1.00 4.44 H new ATOM 0 HE1 TYR A 95 2.874 -9.799 11.645 1.00 30.24 H new ATOM 0 HE2 TYR A 95 5.247 -7.010 9.464 1.00 34.04 H new ATOM 0 HH TYR A 95 5.820 -9.118 9.735 1.00 52.21 H new ATOM 1559 N VAL A 96 1.804 -2.442 12.904 1.00 62.54 N ATOM 1560 CA VAL A 96 1.550 -1.032 12.555 1.00 71.13 C ATOM 1561 C VAL A 96 1.736 -0.892 11.027 1.00 74.51 C ATOM 1562 O VAL A 96 2.863 -0.790 10.531 1.00 31.15 O ATOM 1563 CB VAL A 96 2.511 -0.049 13.335 1.00 11.32 C ATOM 1564 CG1 VAL A 96 2.213 1.439 12.989 1.00 74.10 C ATOM 1565 CG2 VAL A 96 2.424 -0.298 14.864 1.00 31.21 C ATOM 0 H VAL A 96 2.763 -2.629 13.197 1.00 62.54 H new ATOM 0 HA VAL A 96 0.536 -0.758 12.846 1.00 71.13 H new ATOM 0 HB VAL A 96 3.532 -0.256 13.013 1.00 11.32 H new ATOM 0 HG11 VAL A 96 2.893 2.085 13.544 1.00 74.10 H new ATOM 0 HG12 VAL A 96 2.352 1.599 11.920 1.00 74.10 H new ATOM 0 HG13 VAL A 96 1.184 1.677 13.260 1.00 74.10 H new ATOM 0 HG21 VAL A 96 3.093 0.389 15.383 1.00 31.21 H new ATOM 0 HG22 VAL A 96 1.401 -0.133 15.202 1.00 31.21 H new ATOM 0 HG23 VAL A 96 2.717 -1.325 15.083 1.00 31.21 H new ATOM 1575 N LEU A 97 0.615 -0.954 10.292 1.00 13.31 N ATOM 1576 CA LEU A 97 0.603 -0.985 8.812 1.00 50.43 C ATOM 1577 C LEU A 97 0.327 0.423 8.244 1.00 61.14 C ATOM 1578 O LEU A 97 -0.773 0.938 8.360 1.00 15.25 O ATOM 1579 CB LEU A 97 -0.455 -2.022 8.347 1.00 72.33 C ATOM 1580 CG LEU A 97 -0.654 -2.185 6.810 1.00 0.22 C ATOM 1581 CD1 LEU A 97 0.677 -2.497 6.100 1.00 75.10 C ATOM 1582 CD2 LEU A 97 -1.720 -3.264 6.513 1.00 3.11 C ATOM 0 H LEU A 97 -0.317 -0.984 10.705 1.00 13.31 H new ATOM 0 HA LEU A 97 1.578 -1.289 8.432 1.00 50.43 H new ATOM 0 HB2 LEU A 97 -0.182 -2.994 8.759 1.00 72.33 H new ATOM 0 HB3 LEU A 97 -1.414 -1.748 8.786 1.00 72.33 H new ATOM 0 HG LEU A 97 -1.014 -1.236 6.413 1.00 0.22 H new ATOM 0 HD11 LEU A 97 0.502 -2.604 5.030 1.00 75.10 H new ATOM 0 HD12 LEU A 97 1.381 -1.683 6.273 1.00 75.10 H new ATOM 0 HD13 LEU A 97 1.091 -3.425 6.495 1.00 75.10 H new ATOM 0 HD21 LEU A 97 -1.846 -3.364 5.435 1.00 3.11 H new ATOM 0 HD22 LEU A 97 -1.398 -4.218 6.931 1.00 3.11 H new ATOM 0 HD23 LEU A 97 -2.669 -2.972 6.963 1.00 3.11 H new ATOM 1594 N GLU A 98 1.346 1.007 7.607 1.00 2.13 N ATOM 1595 CA GLU A 98 1.386 2.438 7.248 1.00 71.42 C ATOM 1596 C GLU A 98 1.325 2.645 5.714 1.00 63.21 C ATOM 1597 O GLU A 98 2.287 2.370 5.001 1.00 75.31 O ATOM 1598 CB GLU A 98 2.689 3.029 7.834 1.00 2.33 C ATOM 1599 CG GLU A 98 2.803 2.879 9.367 1.00 3.35 C ATOM 1600 CD GLU A 98 4.220 3.117 9.896 1.00 61.41 C ATOM 1601 OE1 GLU A 98 4.635 4.290 10.023 1.00 43.04 O ATOM 1602 OE2 GLU A 98 4.930 2.127 10.173 1.00 54.14 O ATOM 0 H GLU A 98 2.181 0.497 7.320 1.00 2.13 H new ATOM 0 HA GLU A 98 0.515 2.947 7.661 1.00 71.42 H new ATOM 0 HB2 GLU A 98 3.543 2.540 7.365 1.00 2.33 H new ATOM 0 HB3 GLU A 98 2.746 4.086 7.576 1.00 2.33 H new ATOM 0 HG2 GLU A 98 2.121 3.582 9.845 1.00 3.35 H new ATOM 0 HG3 GLU A 98 2.480 1.878 9.652 1.00 3.35 H new ATOM 1609 N ILE A 99 0.179 3.132 5.215 1.00 64.13 N ATOM 1610 CA ILE A 99 -0.009 3.460 3.781 1.00 43.42 C ATOM 1611 C ILE A 99 0.257 4.972 3.561 1.00 64.02 C ATOM 1612 O ILE A 99 -0.179 5.808 4.347 1.00 15.12 O ATOM 1613 CB ILE A 99 -1.458 3.021 3.276 1.00 31.42 C ATOM 1614 CG1 ILE A 99 -1.495 1.492 2.896 1.00 60.02 C ATOM 1615 CG2 ILE A 99 -1.972 3.878 2.083 1.00 44.32 C ATOM 1616 CD1 ILE A 99 -1.124 0.512 3.999 1.00 74.15 C ATOM 0 H ILE A 99 -0.646 3.312 5.787 1.00 64.13 H new ATOM 0 HA ILE A 99 0.708 2.897 3.183 1.00 43.42 H new ATOM 0 HB ILE A 99 -2.131 3.196 4.115 1.00 31.42 H new ATOM 0 HG12 ILE A 99 -2.499 1.251 2.548 1.00 60.02 H new ATOM 0 HG13 ILE A 99 -0.820 1.332 2.056 1.00 60.02 H new ATOM 0 HG21 ILE A 99 -2.961 3.531 1.785 1.00 44.32 H new ATOM 0 HG22 ILE A 99 -2.030 4.924 2.385 1.00 44.32 H new ATOM 0 HG23 ILE A 99 -1.285 3.780 1.242 1.00 44.32 H new ATOM 0 HD11 ILE A 99 -1.187 -0.507 3.617 1.00 74.15 H new ATOM 0 HD12 ILE A 99 -0.107 0.711 4.336 1.00 74.15 H new ATOM 0 HD13 ILE A 99 -1.813 0.628 4.836 1.00 74.15 H new ATOM 1628 N THR A 100 1.003 5.292 2.489 1.00 42.40 N ATOM 1629 CA THR A 100 1.401 6.669 2.133 1.00 41.30 C ATOM 1630 C THR A 100 0.992 6.952 0.668 1.00 12.21 C ATOM 1631 O THR A 100 1.597 6.421 -0.273 1.00 52.43 O ATOM 1632 CB THR A 100 2.945 6.868 2.333 1.00 32.41 C ATOM 1633 OG1 THR A 100 3.285 6.663 3.717 1.00 10.53 O ATOM 1634 CG2 THR A 100 3.437 8.256 1.887 1.00 12.23 C ATOM 0 H THR A 100 1.353 4.592 1.835 1.00 42.40 H new ATOM 0 HA THR A 100 0.891 7.375 2.789 1.00 41.30 H new ATOM 0 HB THR A 100 3.442 6.132 1.701 1.00 32.41 H new ATOM 0 HG1 THR A 100 4.250 6.786 3.839 1.00 10.53 H new ATOM 0 HG21 THR A 100 4.512 8.331 2.051 1.00 12.23 H new ATOM 0 HG22 THR A 100 3.221 8.396 0.828 1.00 12.23 H new ATOM 0 HG23 THR A 100 2.927 9.026 2.466 1.00 12.23 H new ATOM 1642 N ASP A 101 -0.068 7.760 0.498 1.00 0.14 N ATOM 1643 CA ASP A 101 -0.605 8.150 -0.823 1.00 73.53 C ATOM 1644 C ASP A 101 -0.759 9.686 -0.907 1.00 12.13 C ATOM 1645 O ASP A 101 -0.961 10.354 0.109 1.00 41.13 O ATOM 1646 CB ASP A 101 -1.963 7.429 -1.059 1.00 53.31 C ATOM 1647 CG ASP A 101 -2.670 7.858 -2.359 1.00 14.42 C ATOM 1648 OD1 ASP A 101 -2.103 7.631 -3.449 1.00 13.13 O ATOM 1649 OD2 ASP A 101 -3.768 8.465 -2.293 1.00 52.34 O ATOM 0 H ASP A 101 -0.583 8.166 1.279 1.00 0.14 H new ATOM 0 HA ASP A 101 0.089 7.847 -1.606 1.00 73.53 H new ATOM 0 HB2 ASP A 101 -1.794 6.353 -1.085 1.00 53.31 H new ATOM 0 HB3 ASP A 101 -2.622 7.628 -0.214 1.00 53.31 H new ATOM 1654 N PHE A 102 -0.656 10.237 -2.128 1.00 74.11 N ATOM 1655 CA PHE A 102 -0.731 11.697 -2.369 1.00 35.54 C ATOM 1656 C PHE A 102 -1.975 12.036 -3.235 1.00 62.12 C ATOM 1657 O PHE A 102 -2.043 11.672 -4.413 1.00 55.12 O ATOM 1658 CB PHE A 102 0.573 12.185 -3.079 1.00 22.11 C ATOM 1659 CG PHE A 102 1.862 12.085 -2.236 1.00 22.32 C ATOM 1660 CD1 PHE A 102 2.404 10.839 -1.892 1.00 42.44 C ATOM 1661 CD2 PHE A 102 2.532 13.232 -1.799 1.00 14.25 C ATOM 1662 CE1 PHE A 102 3.556 10.748 -1.135 1.00 34.14 C ATOM 1663 CE2 PHE A 102 3.691 13.137 -1.042 1.00 63.24 C ATOM 1664 CZ PHE A 102 4.202 11.895 -0.713 1.00 74.44 C ATOM 0 H PHE A 102 -0.519 9.689 -2.977 1.00 74.11 H new ATOM 0 HA PHE A 102 -0.826 12.210 -1.412 1.00 35.54 H new ATOM 0 HB2 PHE A 102 0.709 11.604 -3.991 1.00 22.11 H new ATOM 0 HB3 PHE A 102 0.436 13.223 -3.380 1.00 22.11 H new ATOM 0 HD1 PHE A 102 1.913 9.936 -2.224 1.00 42.44 H new ATOM 0 HD2 PHE A 102 2.142 14.206 -2.054 1.00 14.25 H new ATOM 0 HE1 PHE A 102 3.953 9.779 -0.872 1.00 34.14 H new ATOM 0 HE2 PHE A 102 4.194 14.033 -0.710 1.00 63.24 H new ATOM 0 HZ PHE A 102 5.106 11.821 -0.126 1.00 74.44 H new ATOM 1674 N SER A 103 -2.906 12.813 -2.656 1.00 50.44 N ATOM 1675 CA SER A 103 -4.186 13.208 -3.311 1.00 72.44 C ATOM 1676 C SER A 103 -4.621 14.592 -2.810 1.00 42.44 C ATOM 1677 O SER A 103 -4.308 14.964 -1.675 1.00 14.35 O ATOM 1678 CB SER A 103 -5.305 12.176 -3.029 1.00 51.55 C ATOM 1679 OG SER A 103 -5.002 10.913 -3.602 1.00 3.20 O ATOM 0 H SER A 103 -2.801 13.192 -1.715 1.00 50.44 H new ATOM 0 HA SER A 103 -4.018 13.242 -4.387 1.00 72.44 H new ATOM 0 HB2 SER A 103 -5.438 12.066 -1.953 1.00 51.55 H new ATOM 0 HB3 SER A 103 -6.250 12.542 -3.431 1.00 51.55 H new ATOM 0 HG SER A 103 -4.607 10.330 -2.920 1.00 3.20 H new ATOM 1685 N GLU A 104 -5.355 15.350 -3.643 1.00 5.15 N ATOM 1686 CA GLU A 104 -5.703 16.746 -3.341 1.00 22.01 C ATOM 1687 C GLU A 104 -6.804 16.863 -2.253 1.00 40.33 C ATOM 1688 O GLU A 104 -7.512 15.895 -1.986 1.00 3.31 O ATOM 1689 CB GLU A 104 -6.114 17.462 -4.652 1.00 41.32 C ATOM 1690 CG GLU A 104 -5.979 18.981 -4.572 1.00 15.53 C ATOM 1691 CD GLU A 104 -6.346 19.702 -5.869 1.00 64.20 C ATOM 1692 OE1 GLU A 104 -5.500 19.750 -6.788 1.00 73.43 O ATOM 1693 OE2 GLU A 104 -7.479 20.211 -5.981 1.00 5.11 O ATOM 0 H GLU A 104 -5.720 15.015 -4.535 1.00 5.15 H new ATOM 0 HA GLU A 104 -4.824 17.237 -2.923 1.00 22.01 H new ATOM 0 HB2 GLU A 104 -5.497 17.091 -5.470 1.00 41.32 H new ATOM 0 HB3 GLU A 104 -7.147 17.207 -4.890 1.00 41.32 H new ATOM 0 HG2 GLU A 104 -6.616 19.351 -3.769 1.00 15.53 H new ATOM 0 HG3 GLU A 104 -4.952 19.232 -4.306 1.00 15.53 H new ATOM 1700 N ALA A 105 -6.896 18.059 -1.622 1.00 21.22 N ATOM 1701 CA ALA A 105 -7.892 18.395 -0.564 1.00 64.23 C ATOM 1702 C ALA A 105 -9.347 17.950 -0.896 1.00 70.22 C ATOM 1703 O ALA A 105 -10.019 17.326 -0.069 1.00 43.21 O ATOM 1704 CB ALA A 105 -7.849 19.912 -0.309 1.00 74.12 C ATOM 0 H ALA A 105 -6.270 18.835 -1.835 1.00 21.22 H new ATOM 0 HA ALA A 105 -7.611 17.835 0.328 1.00 64.23 H new ATOM 0 HB1 ALA A 105 -8.573 20.172 0.463 1.00 74.12 H new ATOM 0 HB2 ALA A 105 -6.850 20.198 0.020 1.00 74.12 H new ATOM 0 HB3 ALA A 105 -8.094 20.443 -1.229 1.00 74.12 H new ATOM 1710 N ASP A 106 -9.796 18.253 -2.129 1.00 15.52 N ATOM 1711 CA ASP A 106 -11.168 17.922 -2.616 1.00 71.22 C ATOM 1712 C ASP A 106 -11.440 16.394 -2.738 1.00 52.44 C ATOM 1713 O ASP A 106 -12.582 15.983 -2.964 1.00 30.43 O ATOM 1714 CB ASP A 106 -11.412 18.609 -3.976 1.00 25.30 C ATOM 1715 CG ASP A 106 -11.229 20.130 -3.886 1.00 13.52 C ATOM 1716 OD1 ASP A 106 -12.204 20.840 -3.553 1.00 4.24 O ATOM 1717 OD2 ASP A 106 -10.102 20.616 -4.108 1.00 2.21 O ATOM 0 H ASP A 106 -9.225 18.735 -2.823 1.00 15.52 H new ATOM 0 HA ASP A 106 -11.863 18.295 -1.864 1.00 71.22 H new ATOM 0 HB2 ASP A 106 -10.723 18.203 -4.717 1.00 25.30 H new ATOM 0 HB3 ASP A 106 -12.421 18.384 -4.321 1.00 25.30 H new ATOM 1722 N GLU A 107 -10.378 15.582 -2.612 1.00 62.24 N ATOM 1723 CA GLU A 107 -10.440 14.098 -2.672 1.00 41.34 C ATOM 1724 C GLU A 107 -10.057 13.469 -1.315 1.00 55.12 C ATOM 1725 O GLU A 107 -10.482 12.355 -0.998 1.00 43.02 O ATOM 1726 CB GLU A 107 -9.452 13.598 -3.755 1.00 74.00 C ATOM 1727 CG GLU A 107 -9.628 14.262 -5.127 1.00 53.11 C ATOM 1728 CD GLU A 107 -8.550 13.831 -6.124 1.00 74.34 C ATOM 1729 OE1 GLU A 107 -7.448 14.431 -6.125 1.00 3.24 O ATOM 1730 OE2 GLU A 107 -8.796 12.879 -6.889 1.00 25.42 O ATOM 0 H GLU A 107 -9.433 15.936 -2.463 1.00 62.24 H new ATOM 0 HA GLU A 107 -11.461 13.803 -2.914 1.00 41.34 H new ATOM 0 HB2 GLU A 107 -8.433 13.772 -3.409 1.00 74.00 H new ATOM 0 HB3 GLU A 107 -9.571 12.520 -3.868 1.00 74.00 H new ATOM 0 HG2 GLU A 107 -10.610 14.010 -5.526 1.00 53.11 H new ATOM 0 HG3 GLU A 107 -9.599 15.345 -5.010 1.00 53.11 H new ATOM 1737 N ALA A 108 -9.242 14.203 -0.528 1.00 30.32 N ATOM 1738 CA ALA A 108 -8.669 13.709 0.744 1.00 73.04 C ATOM 1739 C ALA A 108 -9.763 13.475 1.806 1.00 72.45 C ATOM 1740 O ALA A 108 -9.651 12.560 2.612 1.00 73.15 O ATOM 1741 CB ALA A 108 -7.602 14.685 1.267 1.00 64.02 C ATOM 0 H ALA A 108 -8.962 15.157 -0.757 1.00 30.32 H new ATOM 0 HA ALA A 108 -8.195 12.748 0.545 1.00 73.04 H new ATOM 0 HB1 ALA A 108 -7.191 14.307 2.203 1.00 64.02 H new ATOM 0 HB2 ALA A 108 -6.803 14.779 0.531 1.00 64.02 H new ATOM 0 HB3 ALA A 108 -8.055 15.662 1.438 1.00 64.02 H new ATOM 1747 N ASP A 109 -10.819 14.311 1.783 1.00 13.10 N ATOM 1748 CA ASP A 109 -12.005 14.134 2.653 1.00 74.13 C ATOM 1749 C ASP A 109 -12.778 12.827 2.339 1.00 42.11 C ATOM 1750 O ASP A 109 -13.293 12.193 3.251 1.00 44.01 O ATOM 1751 CB ASP A 109 -12.940 15.358 2.539 1.00 12.11 C ATOM 1752 CG ASP A 109 -12.311 16.617 3.154 1.00 62.25 C ATOM 1753 OD1 ASP A 109 -11.433 17.225 2.513 1.00 53.23 O ATOM 1754 OD2 ASP A 109 -12.674 16.988 4.295 1.00 62.43 O ATOM 0 H ASP A 109 -10.877 15.122 1.168 1.00 13.10 H new ATOM 0 HA ASP A 109 -11.645 14.052 3.678 1.00 74.13 H new ATOM 0 HB2 ASP A 109 -13.170 15.543 1.490 1.00 12.11 H new ATOM 0 HB3 ASP A 109 -13.884 15.142 3.039 1.00 12.11 H new ATOM 1759 N ASP A 110 -12.833 12.439 1.048 1.00 42.03 N ATOM 1760 CA ASP A 110 -13.469 11.169 0.605 1.00 73.44 C ATOM 1761 C ASP A 110 -12.641 9.947 1.074 1.00 74.02 C ATOM 1762 O ASP A 110 -13.197 8.932 1.498 1.00 11.44 O ATOM 1763 CB ASP A 110 -13.602 11.145 -0.935 1.00 75.30 C ATOM 1764 CG ASP A 110 -14.407 12.330 -1.471 1.00 32.42 C ATOM 1765 OD1 ASP A 110 -13.819 13.420 -1.644 1.00 31.03 O ATOM 1766 OD2 ASP A 110 -15.629 12.187 -1.705 1.00 4.20 O ATOM 0 H ASP A 110 -12.442 12.989 0.283 1.00 42.03 H new ATOM 0 HA ASP A 110 -14.461 11.113 1.053 1.00 73.44 H new ATOM 0 HB2 ASP A 110 -12.608 11.153 -1.383 1.00 75.30 H new ATOM 0 HB3 ASP A 110 -14.082 10.215 -1.241 1.00 75.30 H new ATOM 1771 N LEU A 111 -11.307 10.082 0.973 1.00 11.13 N ATOM 1772 CA LEU A 111 -10.333 9.045 1.384 1.00 41.32 C ATOM 1773 C LEU A 111 -10.312 8.836 2.912 1.00 41.22 C ATOM 1774 O LEU A 111 -10.273 7.706 3.385 1.00 23.11 O ATOM 1775 CB LEU A 111 -8.920 9.439 0.877 1.00 70.52 C ATOM 1776 CG LEU A 111 -8.713 9.361 -0.673 1.00 32.10 C ATOM 1777 CD1 LEU A 111 -7.313 9.851 -1.077 1.00 3.52 C ATOM 1778 CD2 LEU A 111 -8.982 7.931 -1.206 1.00 31.22 C ATOM 0 H LEU A 111 -10.866 10.923 0.600 1.00 11.13 H new ATOM 0 HA LEU A 111 -10.641 8.099 0.938 1.00 41.32 H new ATOM 0 HB2 LEU A 111 -8.707 10.457 1.204 1.00 70.52 H new ATOM 0 HB3 LEU A 111 -8.187 8.790 1.357 1.00 70.52 H new ATOM 0 HG LEU A 111 -9.441 10.028 -1.134 1.00 32.10 H new ATOM 0 HD11 LEU A 111 -7.202 9.784 -2.159 1.00 3.52 H new ATOM 0 HD12 LEU A 111 -7.185 10.887 -0.763 1.00 3.52 H new ATOM 0 HD13 LEU A 111 -6.557 9.230 -0.596 1.00 3.52 H new ATOM 0 HD21 LEU A 111 -8.830 7.910 -2.285 1.00 31.22 H new ATOM 0 HD22 LEU A 111 -8.297 7.230 -0.729 1.00 31.22 H new ATOM 0 HD23 LEU A 111 -10.009 7.645 -0.979 1.00 31.22 H new ATOM 1790 N LYS A 112 -10.323 9.946 3.660 1.00 72.44 N ATOM 1791 CA LYS A 112 -10.335 9.939 5.144 1.00 31.13 C ATOM 1792 C LYS A 112 -11.708 9.490 5.704 1.00 33.12 C ATOM 1793 O LYS A 112 -11.775 8.926 6.794 1.00 2.23 O ATOM 1794 CB LYS A 112 -9.938 11.336 5.703 1.00 72.12 C ATOM 1795 CG LYS A 112 -8.464 11.745 5.440 1.00 22.32 C ATOM 1796 CD LYS A 112 -7.444 10.820 6.154 1.00 62.45 C ATOM 1797 CE LYS A 112 -5.978 11.199 5.862 1.00 21.42 C ATOM 1798 NZ LYS A 112 -5.649 12.600 6.243 1.00 0.31 N ATOM 0 H LYS A 112 -10.324 10.884 3.259 1.00 72.44 H new ATOM 0 HA LYS A 112 -9.595 9.211 5.476 1.00 31.13 H new ATOM 0 HB2 LYS A 112 -10.593 12.088 5.263 1.00 72.12 H new ATOM 0 HB3 LYS A 112 -10.117 11.346 6.778 1.00 72.12 H new ATOM 0 HG2 LYS A 112 -8.273 11.728 4.367 1.00 22.32 H new ATOM 0 HG3 LYS A 112 -8.312 12.771 5.774 1.00 22.32 H new ATOM 0 HD2 LYS A 112 -7.616 10.860 7.230 1.00 62.45 H new ATOM 0 HD3 LYS A 112 -7.616 9.790 5.842 1.00 62.45 H new ATOM 0 HE2 LYS A 112 -5.319 10.518 6.401 1.00 21.42 H new ATOM 0 HE3 LYS A 112 -5.778 11.062 4.799 1.00 21.42 H new ATOM 0 HZ1 LYS A 112 -4.748 12.616 6.762 1.00 0.31 H new ATOM 0 HZ2 LYS A 112 -5.566 13.182 5.385 1.00 0.31 H new ATOM 0 HZ3 LYS A 112 -6.404 12.981 6.849 1.00 0.31 H new ATOM 1812 N GLU A 113 -12.792 9.785 4.960 1.00 22.03 N ATOM 1813 CA GLU A 113 -14.164 9.300 5.275 1.00 62.41 C ATOM 1814 C GLU A 113 -14.227 7.760 5.141 1.00 35.22 C ATOM 1815 O GLU A 113 -14.691 7.054 6.048 1.00 74.21 O ATOM 1816 CB GLU A 113 -15.191 9.962 4.311 1.00 33.32 C ATOM 1817 CG GLU A 113 -16.683 9.651 4.594 1.00 2.44 C ATOM 1818 CD GLU A 113 -17.182 10.223 5.932 1.00 41.43 C ATOM 1819 OE1 GLU A 113 -17.318 11.463 6.047 1.00 32.13 O ATOM 1820 OE2 GLU A 113 -17.440 9.444 6.875 1.00 15.31 O ATOM 0 H GLU A 113 -12.749 10.366 4.122 1.00 22.03 H new ATOM 0 HA GLU A 113 -14.411 9.573 6.301 1.00 62.41 H new ATOM 0 HB2 GLU A 113 -15.052 11.042 4.349 1.00 33.32 H new ATOM 0 HB3 GLU A 113 -14.961 9.646 3.293 1.00 33.32 H new ATOM 0 HG2 GLU A 113 -17.291 10.056 3.785 1.00 2.44 H new ATOM 0 HG3 GLU A 113 -16.828 8.571 4.592 1.00 2.44 H new ATOM 1827 N LEU A 114 -13.742 7.273 3.978 1.00 34.31 N ATOM 1828 CA LEU A 114 -13.599 5.831 3.665 1.00 23.41 C ATOM 1829 C LEU A 114 -12.723 5.113 4.718 1.00 1.21 C ATOM 1830 O LEU A 114 -13.078 4.042 5.209 1.00 41.42 O ATOM 1831 CB LEU A 114 -12.966 5.671 2.250 1.00 22.13 C ATOM 1832 CG LEU A 114 -12.673 4.211 1.765 1.00 41.12 C ATOM 1833 CD1 LEU A 114 -13.971 3.386 1.620 1.00 34.43 C ATOM 1834 CD2 LEU A 114 -11.860 4.220 0.451 1.00 13.23 C ATOM 0 H LEU A 114 -13.434 7.879 3.217 1.00 34.31 H new ATOM 0 HA LEU A 114 -14.588 5.373 3.683 1.00 23.41 H new ATOM 0 HB2 LEU A 114 -13.631 6.142 1.526 1.00 22.13 H new ATOM 0 HB3 LEU A 114 -12.030 6.229 2.232 1.00 22.13 H new ATOM 0 HG LEU A 114 -12.069 3.724 2.530 1.00 41.12 H new ATOM 0 HD11 LEU A 114 -13.726 2.379 1.282 1.00 34.43 H new ATOM 0 HD12 LEU A 114 -14.477 3.332 2.584 1.00 34.43 H new ATOM 0 HD13 LEU A 114 -14.627 3.864 0.892 1.00 34.43 H new ATOM 0 HD21 LEU A 114 -11.669 3.195 0.134 1.00 13.23 H new ATOM 0 HD22 LEU A 114 -12.425 4.740 -0.323 1.00 13.23 H new ATOM 0 HD23 LEU A 114 -10.912 4.732 0.613 1.00 13.23 H new ATOM 1846 N TRP A 115 -11.582 5.737 5.050 1.00 11.44 N ATOM 1847 CA TRP A 115 -10.610 5.194 6.011 1.00 31.14 C ATOM 1848 C TRP A 115 -11.186 5.127 7.445 1.00 40.34 C ATOM 1849 O TRP A 115 -11.048 4.105 8.111 1.00 70.40 O ATOM 1850 CB TRP A 115 -9.292 6.020 5.970 1.00 5.14 C ATOM 1851 CG TRP A 115 -8.300 5.696 7.069 1.00 42.14 C ATOM 1852 CD1 TRP A 115 -7.671 6.592 7.885 1.00 42.34 C ATOM 1853 CD2 TRP A 115 -7.844 4.391 7.488 1.00 24.53 C ATOM 1854 NE1 TRP A 115 -6.858 5.939 8.767 1.00 52.31 N ATOM 1855 CE2 TRP A 115 -6.950 4.591 8.550 1.00 54.22 C ATOM 1856 CE3 TRP A 115 -8.110 3.081 7.074 1.00 1.32 C ATOM 1857 CZ2 TRP A 115 -6.326 3.540 9.198 1.00 51.51 C ATOM 1858 CZ3 TRP A 115 -7.491 2.039 7.721 1.00 31.10 C ATOM 1859 CH2 TRP A 115 -6.607 2.272 8.772 1.00 43.11 C ATOM 0 H TRP A 115 -11.307 6.637 4.657 1.00 11.44 H new ATOM 0 HA TRP A 115 -10.387 4.169 5.715 1.00 31.14 H new ATOM 0 HB2 TRP A 115 -8.809 5.859 5.006 1.00 5.14 H new ATOM 0 HB3 TRP A 115 -9.543 7.079 6.028 1.00 5.14 H new ATOM 0 HD1 TRP A 115 -7.798 7.664 7.840 1.00 42.34 H new ATOM 0 HE1 TRP A 115 -6.275 6.385 9.475 1.00 52.31 H new ATOM 0 HE3 TRP A 115 -8.792 2.892 6.258 1.00 1.32 H new ATOM 0 HZ2 TRP A 115 -5.640 3.716 10.013 1.00 51.51 H new ATOM 0 HZ3 TRP A 115 -7.693 1.025 7.410 1.00 31.10 H new ATOM 0 HH2 TRP A 115 -6.134 1.433 9.261 1.00 43.11 H new ATOM 1870 N ASP A 116 -11.824 6.216 7.906 1.00 42.52 N ATOM 1871 CA ASP A 116 -12.439 6.275 9.259 1.00 63.13 C ATOM 1872 C ASP A 116 -13.539 5.185 9.405 1.00 60.23 C ATOM 1873 O ASP A 116 -13.723 4.608 10.485 1.00 61.10 O ATOM 1874 CB ASP A 116 -12.996 7.698 9.524 1.00 62.43 C ATOM 1875 CG ASP A 116 -13.359 7.938 10.998 1.00 0.03 C ATOM 1876 OD1 ASP A 116 -12.443 8.168 11.811 1.00 31.21 O ATOM 1877 OD2 ASP A 116 -14.551 7.871 11.360 1.00 74.03 O ATOM 0 H ASP A 116 -11.932 7.074 7.365 1.00 42.52 H new ATOM 0 HA ASP A 116 -11.678 6.068 10.011 1.00 63.13 H new ATOM 0 HB2 ASP A 116 -12.256 8.435 9.214 1.00 62.43 H new ATOM 0 HB3 ASP A 116 -13.881 7.856 8.908 1.00 62.43 H new ATOM 1882 N SER A 117 -14.234 4.898 8.284 1.00 2.11 N ATOM 1883 CA SER A 117 -15.156 3.746 8.174 1.00 65.44 C ATOM 1884 C SER A 117 -14.392 2.411 8.341 1.00 43.42 C ATOM 1885 O SER A 117 -14.800 1.566 9.129 1.00 15.53 O ATOM 1886 CB SER A 117 -15.891 3.759 6.812 1.00 35.14 C ATOM 1887 OG SER A 117 -16.832 2.696 6.695 1.00 20.41 O ATOM 0 H SER A 117 -14.173 5.456 7.432 1.00 2.11 H new ATOM 0 HA SER A 117 -15.892 3.833 8.974 1.00 65.44 H new ATOM 0 HB2 SER A 117 -16.406 4.712 6.689 1.00 35.14 H new ATOM 0 HB3 SER A 117 -15.160 3.685 6.007 1.00 35.14 H new ATOM 0 HG SER A 117 -17.273 2.744 5.821 1.00 20.41 H new ATOM 1893 N GLN A 118 -13.273 2.249 7.600 1.00 21.32 N ATOM 1894 CA GLN A 118 -12.432 1.022 7.642 1.00 32.45 C ATOM 1895 C GLN A 118 -11.840 0.746 9.049 1.00 63.15 C ATOM 1896 O GLN A 118 -11.678 -0.411 9.415 1.00 4.43 O ATOM 1897 CB GLN A 118 -11.288 1.101 6.591 1.00 75.13 C ATOM 1898 CG GLN A 118 -11.752 1.078 5.113 1.00 10.30 C ATOM 1899 CD GLN A 118 -12.473 -0.214 4.685 1.00 4.35 C ATOM 1900 OE1 GLN A 118 -13.356 -0.192 3.836 1.00 53.24 O ATOM 1901 NE2 GLN A 118 -12.087 -1.356 5.234 1.00 60.05 N ATOM 0 H GLN A 118 -12.925 2.960 6.957 1.00 21.32 H new ATOM 0 HA GLN A 118 -13.091 0.189 7.399 1.00 32.45 H new ATOM 0 HB2 GLN A 118 -10.720 2.015 6.763 1.00 75.13 H new ATOM 0 HB3 GLN A 118 -10.607 0.266 6.755 1.00 75.13 H new ATOM 0 HG2 GLN A 118 -12.418 1.923 4.942 1.00 10.30 H new ATOM 0 HG3 GLN A 118 -10.883 1.223 4.471 1.00 10.30 H new ATOM 0 HE21 GLN A 118 -11.351 -1.359 5.940 1.00 60.05 H new ATOM 0 HE22 GLN A 118 -12.526 -2.232 4.951 1.00 60.05 H new ATOM 1910 N VAL A 119 -11.528 1.808 9.824 1.00 12.45 N ATOM 1911 CA VAL A 119 -11.061 1.674 11.232 1.00 64.40 C ATOM 1912 C VAL A 119 -12.162 1.013 12.096 1.00 52.33 C ATOM 1913 O VAL A 119 -11.905 0.063 12.850 1.00 13.51 O ATOM 1914 CB VAL A 119 -10.671 3.075 11.846 1.00 51.14 C ATOM 1915 CG1 VAL A 119 -10.210 2.951 13.324 1.00 14.51 C ATOM 1916 CG2 VAL A 119 -9.588 3.783 10.995 1.00 11.45 C ATOM 0 H VAL A 119 -11.590 2.774 9.501 1.00 12.45 H new ATOM 0 HA VAL A 119 -10.171 1.044 11.230 1.00 64.40 H new ATOM 0 HB VAL A 119 -11.572 3.689 11.830 1.00 51.14 H new ATOM 0 HG11 VAL A 119 -9.951 3.938 13.708 1.00 14.51 H new ATOM 0 HG12 VAL A 119 -11.017 2.529 13.923 1.00 14.51 H new ATOM 0 HG13 VAL A 119 -9.338 2.299 13.380 1.00 14.51 H new ATOM 0 HG21 VAL A 119 -9.342 4.745 11.445 1.00 11.45 H new ATOM 0 HG22 VAL A 119 -8.693 3.162 10.955 1.00 11.45 H new ATOM 0 HG23 VAL A 119 -9.965 3.941 9.985 1.00 11.45 H new ATOM 1926 N SER A 120 -13.397 1.527 11.936 1.00 53.54 N ATOM 1927 CA SER A 120 -14.600 1.005 12.621 1.00 72.23 C ATOM 1928 C SER A 120 -14.892 -0.461 12.214 1.00 62.33 C ATOM 1929 O SER A 120 -15.179 -1.299 13.065 1.00 44.35 O ATOM 1930 CB SER A 120 -15.819 1.907 12.298 1.00 41.32 C ATOM 1931 OG SER A 120 -17.013 1.419 12.888 1.00 24.42 O ATOM 0 H SER A 120 -13.591 2.320 11.325 1.00 53.54 H new ATOM 0 HA SER A 120 -14.414 1.018 13.695 1.00 72.23 H new ATOM 0 HB2 SER A 120 -15.626 2.919 12.655 1.00 41.32 H new ATOM 0 HB3 SER A 120 -15.948 1.969 11.217 1.00 41.32 H new ATOM 0 HG SER A 120 -17.757 2.016 12.662 1.00 24.42 H new ATOM 1937 N LYS A 121 -14.772 -0.754 10.906 1.00 13.32 N ATOM 1938 CA LYS A 121 -15.033 -2.098 10.332 1.00 60.50 C ATOM 1939 C LYS A 121 -14.005 -3.152 10.827 1.00 64.11 C ATOM 1940 O LYS A 121 -14.390 -4.271 11.179 1.00 61.24 O ATOM 1941 CB LYS A 121 -15.026 -2.020 8.784 1.00 42.00 C ATOM 1942 CG LYS A 121 -16.157 -1.152 8.174 1.00 43.44 C ATOM 1943 CD LYS A 121 -15.975 -0.886 6.657 1.00 4.22 C ATOM 1944 CE LYS A 121 -15.913 -2.173 5.812 1.00 61.03 C ATOM 1945 NZ LYS A 121 -15.723 -1.887 4.365 1.00 72.22 N ATOM 0 H LYS A 121 -14.490 -0.065 10.209 1.00 13.32 H new ATOM 0 HA LYS A 121 -16.016 -2.421 10.674 1.00 60.50 H new ATOM 0 HB2 LYS A 121 -14.065 -1.622 8.458 1.00 42.00 H new ATOM 0 HB3 LYS A 121 -15.105 -3.030 8.382 1.00 42.00 H new ATOM 0 HG2 LYS A 121 -17.114 -1.648 8.337 1.00 43.44 H new ATOM 0 HG3 LYS A 121 -16.198 -0.199 8.701 1.00 43.44 H new ATOM 0 HD2 LYS A 121 -16.800 -0.267 6.303 1.00 4.22 H new ATOM 0 HD3 LYS A 121 -15.059 -0.315 6.503 1.00 4.22 H new ATOM 0 HE2 LYS A 121 -15.095 -2.800 6.167 1.00 61.03 H new ATOM 0 HE3 LYS A 121 -16.833 -2.741 5.951 1.00 61.03 H new ATOM 0 HZ1 LYS A 121 -15.602 -2.781 3.847 1.00 72.22 H new ATOM 0 HZ2 LYS A 121 -16.556 -1.384 3.998 1.00 72.22 H new ATOM 0 HZ3 LYS A 121 -14.877 -1.296 4.236 1.00 72.22 H new ATOM 1959 N LEU A 122 -12.706 -2.775 10.855 1.00 0.02 N ATOM 1960 CA LEU A 122 -11.612 -3.644 11.379 1.00 22.15 C ATOM 1961 C LEU A 122 -11.786 -3.910 12.892 1.00 34.34 C ATOM 1962 O LEU A 122 -11.404 -4.971 13.383 1.00 52.21 O ATOM 1963 CB LEU A 122 -10.209 -3.021 11.092 1.00 65.30 C ATOM 1964 CG LEU A 122 -9.780 -2.936 9.587 1.00 50.20 C ATOM 1965 CD1 LEU A 122 -8.409 -2.234 9.433 1.00 34.11 C ATOM 1966 CD2 LEU A 122 -9.779 -4.335 8.923 1.00 40.11 C ATOM 0 H LEU A 122 -12.382 -1.868 10.519 1.00 0.02 H new ATOM 0 HA LEU A 122 -11.674 -4.598 10.856 1.00 22.15 H new ATOM 0 HB2 LEU A 122 -10.190 -2.015 11.510 1.00 65.30 H new ATOM 0 HB3 LEU A 122 -9.460 -3.604 11.629 1.00 65.30 H new ATOM 0 HG LEU A 122 -10.519 -2.328 9.066 1.00 50.20 H new ATOM 0 HD11 LEU A 122 -8.139 -2.191 8.378 1.00 34.11 H new ATOM 0 HD12 LEU A 122 -8.471 -1.222 9.834 1.00 34.11 H new ATOM 0 HD13 LEU A 122 -7.650 -2.794 9.979 1.00 34.11 H new ATOM 0 HD21 LEU A 122 -9.477 -4.242 7.880 1.00 40.11 H new ATOM 0 HD22 LEU A 122 -9.079 -4.986 9.447 1.00 40.11 H new ATOM 0 HD23 LEU A 122 -10.780 -4.763 8.974 1.00 40.11 H new ATOM 1978 N ARG A 123 -12.362 -2.929 13.612 1.00 14.51 N ATOM 1979 CA ARG A 123 -12.731 -3.073 15.041 1.00 11.15 C ATOM 1980 C ARG A 123 -13.862 -4.132 15.218 1.00 34.51 C ATOM 1981 O ARG A 123 -13.831 -4.929 16.165 1.00 43.34 O ATOM 1982 CB ARG A 123 -13.126 -1.667 15.608 1.00 21.42 C ATOM 1983 CG ARG A 123 -13.523 -1.604 17.116 1.00 30.41 C ATOM 1984 CD ARG A 123 -15.024 -1.872 17.389 1.00 3.33 C ATOM 1985 NE ARG A 123 -15.330 -1.888 18.833 1.00 72.43 N ATOM 1986 CZ ARG A 123 -16.145 -1.064 19.459 1.00 23.15 C ATOM 1987 NH1 ARG A 123 -16.726 -0.077 18.842 1.00 30.43 N ATOM 1988 NH2 ARG A 123 -16.348 -1.227 20.727 1.00 73.13 N ATOM 0 H ARG A 123 -12.586 -2.013 13.224 1.00 14.51 H new ATOM 0 HA ARG A 123 -11.879 -3.442 15.612 1.00 11.15 H new ATOM 0 HB2 ARG A 123 -12.288 -0.988 15.448 1.00 21.42 H new ATOM 0 HB3 ARG A 123 -13.961 -1.286 15.020 1.00 21.42 H new ATOM 0 HG2 ARG A 123 -12.929 -2.333 17.667 1.00 30.41 H new ATOM 0 HG3 ARG A 123 -13.264 -0.620 17.508 1.00 30.41 H new ATOM 0 HD2 ARG A 123 -15.624 -1.105 16.900 1.00 3.33 H new ATOM 0 HD3 ARG A 123 -15.308 -2.828 16.948 1.00 3.33 H new ATOM 0 HE ARG A 123 -14.869 -2.602 19.397 1.00 72.43 H new ATOM 0 HH11 ARG A 123 -16.555 0.074 17.848 1.00 30.43 H new ATOM 0 HH12 ARG A 123 -17.353 0.545 19.352 1.00 30.43 H new ATOM 0 HH21 ARG A 123 -15.880 -1.984 21.225 1.00 73.13 H new ATOM 0 HH22 ARG A 123 -16.976 -0.598 21.228 1.00 73.13 H new ATOM 2002 N ARG A 124 -14.854 -4.133 14.297 1.00 53.54 N ATOM 2003 CA ARG A 124 -15.997 -5.088 14.339 1.00 31.12 C ATOM 2004 C ARG A 124 -15.530 -6.544 14.075 1.00 51.20 C ATOM 2005 O ARG A 124 -15.854 -7.465 14.829 1.00 61.43 O ATOM 2006 CB ARG A 124 -17.080 -4.719 13.284 1.00 3.34 C ATOM 2007 CG ARG A 124 -17.605 -3.271 13.349 1.00 72.11 C ATOM 2008 CD ARG A 124 -18.750 -3.007 12.348 1.00 63.05 C ATOM 2009 NE ARG A 124 -18.379 -3.337 10.953 1.00 73.42 N ATOM 2010 CZ ARG A 124 -19.147 -3.155 9.898 1.00 12.43 C ATOM 2011 NH1 ARG A 124 -20.322 -2.615 9.999 1.00 64.50 N ATOM 2012 NH2 ARG A 124 -18.725 -3.517 8.732 1.00 70.41 N ATOM 0 H ARG A 124 -14.890 -3.483 13.512 1.00 53.54 H new ATOM 0 HA ARG A 124 -16.422 -5.019 15.340 1.00 31.12 H new ATOM 0 HB2 ARG A 124 -16.668 -4.893 12.290 1.00 3.34 H new ATOM 0 HB3 ARG A 124 -17.924 -5.398 13.403 1.00 3.34 H new ATOM 0 HG2 ARG A 124 -17.956 -3.061 14.359 1.00 72.11 H new ATOM 0 HG3 ARG A 124 -16.785 -2.582 13.147 1.00 72.11 H new ATOM 0 HD2 ARG A 124 -19.621 -3.595 12.636 1.00 63.05 H new ATOM 0 HD3 ARG A 124 -19.041 -1.958 12.404 1.00 63.05 H new ATOM 0 HE ARG A 124 -17.454 -3.738 10.796 1.00 73.42 H new ATOM 0 HH11 ARG A 124 -20.671 -2.320 10.911 1.00 64.50 H new ATOM 0 HH12 ARG A 124 -20.897 -2.485 9.167 1.00 64.50 H new ATOM 0 HH21 ARG A 124 -17.803 -3.941 8.632 1.00 70.41 H new ATOM 0 HH22 ARG A 124 -19.314 -3.379 7.911 1.00 70.41 H new ATOM 2026 N THR A 125 -14.766 -6.724 12.986 1.00 53.31 N ATOM 2027 CA THR A 125 -14.361 -8.064 12.483 1.00 62.15 C ATOM 2028 C THR A 125 -13.062 -8.599 13.149 1.00 33.10 C ATOM 2029 O THR A 125 -12.786 -9.804 13.083 1.00 13.55 O ATOM 2030 CB THR A 125 -14.208 -8.045 10.919 1.00 21.40 C ATOM 2031 OG1 THR A 125 -14.018 -9.380 10.414 1.00 22.24 O ATOM 2032 CG2 THR A 125 -13.052 -7.145 10.443 1.00 21.41 C ATOM 0 H THR A 125 -14.408 -5.952 12.424 1.00 53.31 H new ATOM 0 HA THR A 125 -15.160 -8.752 12.760 1.00 62.15 H new ATOM 0 HB THR A 125 -15.134 -7.627 10.524 1.00 21.40 H new ATOM 0 HG1 THR A 125 -13.062 -9.543 10.271 1.00 22.24 H new ATOM 0 HG21 THR A 125 -12.995 -7.171 9.355 1.00 21.41 H new ATOM 0 HG22 THR A 125 -13.229 -6.121 10.772 1.00 21.41 H new ATOM 0 HG23 THR A 125 -12.113 -7.505 10.865 1.00 21.41 H new ATOM 2040 N CYS A 126 -12.277 -7.684 13.776 1.00 33.03 N ATOM 2041 CA CYS A 126 -10.959 -7.997 14.422 1.00 55.23 C ATOM 2042 C CYS A 126 -9.930 -8.566 13.398 1.00 75.32 C ATOM 2043 O CYS A 126 -9.083 -9.412 13.726 1.00 54.21 O ATOM 2044 CB CYS A 126 -11.150 -8.946 15.639 1.00 60.34 C ATOM 2045 SG CYS A 126 -9.641 -9.265 16.597 1.00 53.31 S ATOM 0 H CYS A 126 -12.536 -6.700 13.852 1.00 33.03 H new ATOM 0 HA CYS A 126 -10.543 -7.061 14.794 1.00 55.23 H new ATOM 0 HB2 CYS A 126 -11.901 -8.517 16.302 1.00 60.34 H new ATOM 0 HB3 CYS A 126 -11.545 -9.897 15.282 1.00 60.34 H new ATOM 0 HG CYS A 126 -8.638 -9.426 15.786 1.00 53.31 H new ATOM 2051 N GLY A 127 -9.981 -8.031 12.165 1.00 60.40 N ATOM 2052 CA GLY A 127 -9.201 -8.565 11.039 1.00 42.13 C ATOM 2053 C GLY A 127 -9.931 -9.709 10.321 1.00 65.02 C ATOM 2054 O GLY A 127 -11.130 -9.614 10.080 1.00 61.32 O ATOM 0 H GLY A 127 -10.558 -7.225 11.925 1.00 60.40 H new ATOM 0 HA2 GLY A 127 -8.996 -7.764 10.329 1.00 42.13 H new ATOM 0 HA3 GLY A 127 -8.238 -8.922 11.403 1.00 42.13 H new ATOM 2058 N PHE A 128 -9.188 -10.778 9.955 1.00 64.43 N ATOM 2059 CA PHE A 128 -9.734 -12.007 9.291 1.00 71.01 C ATOM 2060 C PHE A 128 -10.410 -11.715 7.913 1.00 72.53 C ATOM 2061 O PHE A 128 -11.108 -12.569 7.350 1.00 44.33 O ATOM 2062 CB PHE A 128 -10.683 -12.781 10.258 1.00 20.12 C ATOM 2063 CG PHE A 128 -9.997 -13.236 11.563 1.00 12.43 C ATOM 2064 CD1 PHE A 128 -9.174 -14.371 11.588 1.00 34.42 C ATOM 2065 CD2 PHE A 128 -10.157 -12.520 12.755 1.00 53.33 C ATOM 2066 CE1 PHE A 128 -8.538 -14.766 12.756 1.00 0.04 C ATOM 2067 CE2 PHE A 128 -9.523 -12.921 13.921 1.00 11.11 C ATOM 2068 CZ PHE A 128 -8.714 -14.042 13.921 1.00 34.14 C ATOM 0 H PHE A 128 -8.181 -10.823 10.109 1.00 64.43 H new ATOM 0 HA PHE A 128 -8.883 -12.649 9.064 1.00 71.01 H new ATOM 0 HB2 PHE A 128 -11.532 -12.145 10.507 1.00 20.12 H new ATOM 0 HB3 PHE A 128 -11.080 -13.655 9.742 1.00 20.12 H new ATOM 0 HD1 PHE A 128 -9.033 -14.946 10.685 1.00 34.42 H new ATOM 0 HD2 PHE A 128 -10.784 -11.641 12.767 1.00 53.33 H new ATOM 0 HE1 PHE A 128 -7.904 -15.641 12.755 1.00 0.04 H new ATOM 0 HE2 PHE A 128 -9.661 -12.356 14.831 1.00 11.11 H new ATOM 0 HZ PHE A 128 -8.220 -14.352 14.830 1.00 34.14 H new ATOM 2078 N LEU A 129 -10.134 -10.517 7.369 1.00 52.01 N ATOM 2079 CA LEU A 129 -10.667 -10.040 6.071 1.00 35.10 C ATOM 2080 C LEU A 129 -9.855 -10.659 4.895 1.00 34.31 C ATOM 2081 O LEU A 129 -10.353 -10.780 3.772 1.00 63.00 O ATOM 2082 CB LEU A 129 -10.621 -8.464 6.051 1.00 14.40 C ATOM 2083 CG LEU A 129 -11.751 -7.695 5.265 1.00 61.32 C ATOM 2084 CD1 LEU A 129 -11.674 -7.896 3.732 1.00 35.24 C ATOM 2085 CD2 LEU A 129 -13.153 -8.063 5.809 1.00 4.24 C ATOM 0 H LEU A 129 -9.524 -9.837 7.823 1.00 52.01 H new ATOM 0 HA LEU A 129 -11.702 -10.359 5.948 1.00 35.10 H new ATOM 0 HB2 LEU A 129 -10.639 -8.117 7.084 1.00 14.40 H new ATOM 0 HB3 LEU A 129 -9.661 -8.164 5.631 1.00 14.40 H new ATOM 0 HG LEU A 129 -11.578 -6.633 5.439 1.00 61.32 H new ATOM 0 HD11 LEU A 129 -12.479 -7.341 3.251 1.00 35.24 H new ATOM 0 HD12 LEU A 129 -10.714 -7.533 3.365 1.00 35.24 H new ATOM 0 HD13 LEU A 129 -11.775 -8.956 3.499 1.00 35.24 H new ATOM 0 HD21 LEU A 129 -13.914 -7.519 5.250 1.00 4.24 H new ATOM 0 HD22 LEU A 129 -13.317 -9.135 5.697 1.00 4.24 H new ATOM 0 HD23 LEU A 129 -13.216 -7.794 6.864 1.00 4.24 H new ATOM 2097 N GLU A 130 -8.601 -11.062 5.189 1.00 74.25 N ATOM 2098 CA GLU A 130 -7.688 -11.728 4.221 1.00 4.25 C ATOM 2099 C GLU A 130 -8.023 -13.263 4.144 1.00 32.12 C ATOM 2100 O GLU A 130 -8.876 -13.761 4.897 1.00 14.22 O ATOM 2101 CB GLU A 130 -6.200 -11.443 4.678 1.00 64.25 C ATOM 2102 CG GLU A 130 -5.130 -11.273 3.557 1.00 12.22 C ATOM 2103 CD GLU A 130 -4.662 -12.582 2.891 1.00 11.41 C ATOM 2104 OE1 GLU A 130 -3.996 -13.393 3.567 1.00 53.33 O ATOM 2105 OE2 GLU A 130 -4.976 -12.814 1.698 1.00 1.33 O ATOM 0 H GLU A 130 -8.185 -10.936 6.112 1.00 74.25 H new ATOM 0 HA GLU A 130 -7.817 -11.334 3.213 1.00 4.25 H new ATOM 0 HB2 GLU A 130 -6.201 -10.537 5.284 1.00 64.25 H new ATOM 0 HB3 GLU A 130 -5.883 -12.260 5.326 1.00 64.25 H new ATOM 0 HG2 GLU A 130 -5.536 -10.617 2.787 1.00 12.22 H new ATOM 0 HG3 GLU A 130 -4.261 -10.769 3.980 1.00 12.22 H new ATOM 2112 N HIS A 131 -7.370 -13.975 3.197 1.00 42.24 N ATOM 2113 CA HIS A 131 -7.447 -15.461 2.995 1.00 40.51 C ATOM 2114 C HIS A 131 -8.712 -15.880 2.209 1.00 10.43 C ATOM 2115 O HIS A 131 -9.191 -17.016 2.321 1.00 10.34 O ATOM 2116 CB HIS A 131 -7.293 -16.267 4.322 1.00 25.32 C ATOM 2117 CG HIS A 131 -5.987 -16.037 5.038 1.00 64.03 C ATOM 2118 ND1 HIS A 131 -4.787 -16.555 4.602 1.00 12.42 N ATOM 2119 CD2 HIS A 131 -5.697 -15.321 6.150 1.00 53.55 C ATOM 2120 CE1 HIS A 131 -3.826 -16.177 5.414 1.00 35.32 C ATOM 2121 NE2 HIS A 131 -4.346 -15.427 6.358 1.00 70.23 N ATOM 0 H HIS A 131 -6.750 -13.525 2.523 1.00 42.24 H new ATOM 0 HA HIS A 131 -6.586 -15.722 2.380 1.00 40.51 H new ATOM 0 HB2 HIS A 131 -8.112 -16.003 4.991 1.00 25.32 H new ATOM 0 HB3 HIS A 131 -7.391 -17.330 4.102 1.00 25.32 H new ATOM 0 HD1 HIS A 131 -4.664 -17.141 3.776 1.00 12.42 H new ATOM 0 HD2 HIS A 131 -6.398 -14.770 6.759 1.00 53.55 H new ATOM 0 HE1 HIS A 131 -2.783 -16.439 5.321 1.00 35.32 H new ATOM 2130 N HIS A 132 -9.223 -14.950 1.382 1.00 44.01 N ATOM 2131 CA HIS A 132 -10.320 -15.214 0.422 1.00 1.52 C ATOM 2132 C HIS A 132 -10.345 -14.144 -0.697 1.00 54.35 C ATOM 2133 O HIS A 132 -10.885 -13.048 -0.527 1.00 53.13 O ATOM 2134 CB HIS A 132 -11.706 -15.346 1.137 1.00 22.23 C ATOM 2135 CG HIS A 132 -11.984 -14.315 2.204 1.00 42.44 C ATOM 2136 ND1 HIS A 132 -11.679 -14.519 3.535 1.00 62.43 N ATOM 2137 CD2 HIS A 132 -12.564 -13.087 2.145 1.00 2.34 C ATOM 2138 CE1 HIS A 132 -12.060 -13.477 4.240 1.00 33.12 C ATOM 2139 NE2 HIS A 132 -12.596 -12.594 3.426 1.00 55.33 N ATOM 0 H HIS A 132 -8.887 -13.987 1.358 1.00 44.01 H new ATOM 0 HA HIS A 132 -10.122 -16.178 -0.047 1.00 1.52 H new ATOM 0 HB2 HIS A 132 -12.492 -15.286 0.384 1.00 22.23 H new ATOM 0 HB3 HIS A 132 -11.771 -16.337 1.587 1.00 22.23 H new ATOM 0 HD2 HIS A 132 -12.931 -12.592 1.258 1.00 2.34 H new ATOM 0 HE1 HIS A 132 -11.951 -13.365 5.309 1.00 33.12 H new ATOM 0 HE2 HIS A 132 -12.975 -11.688 3.702 1.00 55.33 H new ATOM 2148 N HIS A 133 -9.700 -14.471 -1.831 1.00 13.42 N ATOM 2149 CA HIS A 133 -9.686 -13.622 -3.038 1.00 21.41 C ATOM 2150 C HIS A 133 -10.900 -13.984 -3.932 1.00 75.23 C ATOM 2151 O HIS A 133 -10.910 -15.048 -4.564 1.00 74.24 O ATOM 2152 CB HIS A 133 -8.351 -13.814 -3.800 1.00 62.03 C ATOM 2153 CG HIS A 133 -7.116 -13.440 -3.004 1.00 25.00 C ATOM 2154 ND1 HIS A 133 -6.450 -14.324 -2.179 1.00 41.14 N ATOM 2155 CD2 HIS A 133 -6.425 -12.274 -2.918 1.00 44.32 C ATOM 2156 CE1 HIS A 133 -5.418 -13.724 -1.625 1.00 3.13 C ATOM 2157 NE2 HIS A 133 -5.374 -12.480 -2.057 1.00 35.14 N ATOM 0 H HIS A 133 -9.171 -15.336 -1.937 1.00 13.42 H new ATOM 0 HA HIS A 133 -9.764 -12.572 -2.756 1.00 21.41 H new ATOM 0 HB2 HIS A 133 -8.269 -14.857 -4.107 1.00 62.03 H new ATOM 0 HB3 HIS A 133 -8.377 -13.215 -4.710 1.00 62.03 H new ATOM 0 HD2 HIS A 133 -6.659 -11.353 -3.432 1.00 44.32 H new ATOM 0 HE1 HIS A 133 -4.723 -14.176 -0.932 1.00 3.13 H new ATOM 0 HE2 HIS A 133 -4.675 -11.785 -1.795 1.00 35.14 H new ATOM 2166 N HIS A 134 -11.912 -13.083 -3.952 1.00 2.13 N ATOM 2167 CA HIS A 134 -13.252 -13.314 -4.564 1.00 32.01 C ATOM 2168 C HIS A 134 -14.099 -14.332 -3.745 1.00 50.30 C ATOM 2169 O HIS A 134 -13.660 -14.838 -2.701 1.00 61.44 O ATOM 2170 CB HIS A 134 -13.169 -13.732 -6.066 1.00 22.44 C ATOM 2171 CG HIS A 134 -12.547 -12.703 -6.971 1.00 52.21 C ATOM 2172 ND1 HIS A 134 -13.238 -11.617 -7.463 1.00 21.11 N ATOM 2173 CD2 HIS A 134 -11.294 -12.604 -7.485 1.00 1.44 C ATOM 2174 CE1 HIS A 134 -12.447 -10.904 -8.236 1.00 3.22 C ATOM 2175 NE2 HIS A 134 -11.263 -11.477 -8.266 1.00 53.12 N ATOM 0 H HIS A 134 -11.822 -12.156 -3.536 1.00 2.13 H new ATOM 0 HA HIS A 134 -13.764 -12.352 -4.532 1.00 32.01 H new ATOM 0 HB2 HIS A 134 -12.596 -14.656 -6.141 1.00 22.44 H new ATOM 0 HB3 HIS A 134 -14.175 -13.951 -6.424 1.00 22.44 H new ATOM 0 HD2 HIS A 134 -10.475 -13.286 -7.311 1.00 1.44 H new ATOM 0 HE1 HIS A 134 -12.723 -10.000 -8.758 1.00 3.22 H new ATOM 0 HE2 HIS A 134 -10.453 -11.138 -8.786 1.00 53.12 H new ATOM 2184 N HIS A 135 -15.327 -14.613 -4.229 1.00 22.42 N ATOM 2185 CA HIS A 135 -16.293 -15.499 -3.533 1.00 73.02 C ATOM 2186 C HIS A 135 -15.870 -16.994 -3.596 1.00 31.22 C ATOM 2187 O HIS A 135 -16.294 -17.795 -2.761 1.00 42.24 O ATOM 2188 CB HIS A 135 -17.714 -15.296 -4.130 1.00 73.51 C ATOM 2189 CG HIS A 135 -18.845 -15.883 -3.315 1.00 21.21 C ATOM 2190 ND1 HIS A 135 -19.974 -16.441 -3.874 1.00 40.42 N ATOM 2191 CD2 HIS A 135 -19.032 -15.953 -1.970 1.00 51.22 C ATOM 2192 CE1 HIS A 135 -20.796 -16.828 -2.919 1.00 13.13 C ATOM 2193 NE2 HIS A 135 -20.249 -16.546 -1.756 1.00 12.41 N ATOM 0 H HIS A 135 -15.679 -14.236 -5.109 1.00 22.42 H new ATOM 0 HA HIS A 135 -16.303 -15.223 -2.479 1.00 73.02 H new ATOM 0 HB2 HIS A 135 -17.891 -14.227 -4.250 1.00 73.51 H new ATOM 0 HB3 HIS A 135 -17.738 -15.737 -5.126 1.00 73.51 H new ATOM 0 HD2 HIS A 135 -18.348 -15.605 -1.210 1.00 51.22 H new ATOM 0 HE1 HIS A 135 -21.757 -17.298 -3.066 1.00 13.13 H new ATOM 0 HE2 HIS A 135 -20.663 -16.738 -0.844 1.00 12.41 H new ATOM 2202 N HIS A 136 -15.041 -17.362 -4.597 1.00 43.14 N ATOM 2203 CA HIS A 136 -14.539 -18.751 -4.761 1.00 55.42 C ATOM 2204 C HIS A 136 -13.204 -18.771 -5.527 1.00 52.22 C ATOM 2205 O HIS A 136 -13.134 -18.458 -6.714 1.00 14.41 O ATOM 2206 CB HIS A 136 -15.614 -19.657 -5.445 1.00 53.51 C ATOM 2207 CG HIS A 136 -16.196 -19.113 -6.733 1.00 73.13 C ATOM 2208 ND1 HIS A 136 -15.858 -19.590 -7.983 1.00 41.43 N ATOM 2209 CD2 HIS A 136 -17.114 -18.135 -6.952 1.00 24.30 C ATOM 2210 CE1 HIS A 136 -16.537 -18.937 -8.906 1.00 53.13 C ATOM 2211 NE2 HIS A 136 -17.302 -18.052 -8.308 1.00 74.32 N ATOM 0 H HIS A 136 -14.702 -16.715 -5.309 1.00 43.14 H new ATOM 0 HA HIS A 136 -14.349 -19.162 -3.770 1.00 55.42 H new ATOM 0 HB2 HIS A 136 -15.168 -20.630 -5.650 1.00 53.51 H new ATOM 0 HB3 HIS A 136 -16.428 -19.822 -4.739 1.00 53.51 H new ATOM 0 HD2 HIS A 136 -17.604 -17.535 -6.199 1.00 24.30 H new ATOM 0 HE1 HIS A 136 -16.475 -19.102 -9.972 1.00 53.13 H new ATOM 0 HE2 HIS A 136 -17.936 -17.405 -8.778 1.00 74.32 H new TER 2220 HIS A 136