USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 824 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 76 ASN : amide:sc= 0.52 X(o=1.1,f=1.5) USER MOD Set 1.2: A 106 THR OG1 : rot -168:sc= 0.575 USER MOD Set 2.1: A 41 SER OG : rot 180:sc= 0.393 USER MOD Set 2.2: A 51 THR OG1 : rot -112:sc= 0.339 USER MOD Set 3.1: A 39 ASN : amide:sc= 1.1 K(o=1.2,f=-0.12) USER MOD Set 3.2: A 53 THR OG1 : rot -78:sc= 0.0601 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.185 (180deg=-0.745) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0139 (180deg=-0.235) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -2.38! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 21 ASN : amide:sc= -3.54! C(o=-3.5!,f=-5.8!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -137:sc= -0.19 (180deg=-2.88) USER MOD Single : A 24 THR OG1 : rot -48:sc= 1.29 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.0182 K(o=0.018,f=-2.2) USER MOD Single : A 30 GLN : amide:sc= 1.18 K(o=1.2,f=-0.94) USER MOD Single : A 32 ASN : amide:sc= 0.506 K(o=0.51,f=-0.006) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.08) USER MOD Single : A 35 SER OG : rot 2:sc= -0.269 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 37 SER OG : rot -4:sc= 1.21 USER MOD Single : A 52 GLN : amide:sc= -0.512 K(o=-0.51,f=-2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00568 USER MOD Single : A 56 SER OG : rot -14:sc= 0.682 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0888 K(o=-0.089,f=-1.9) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.93 K(o=-0.93,f=0) USER MOD Single : A 68 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 74 THR OG1 : rot 128:sc= 1.29 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -132:sc= 1.96 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.16) USER MOD Single : A 88 ASN : amide:sc= -0.983 K(o=-0.98,f=-0.065) USER MOD Single : A 91 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.7) USER MOD Single : A 94 ASN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.112 K(o=0.11,f=-3.1!) USER MOD Single : A 98 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.42) USER MOD Single : A 110 HIS : no HD1:sc= -0.583 K(o=-0.58,f=-1.5) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 113 HIS : no HE2:sc= 0.492 K(o=0.49,f=-3.9!) USER MOD Single : A 114 HIS : no HE2:sc= 1.08 K(o=1.1,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.859 14.505 -7.715 1.00 0.00 N ATOM 2 CA MET A 1 -14.403 14.637 -7.501 1.00 0.00 C ATOM 3 C MET A 1 -13.934 13.632 -6.457 1.00 0.00 C ATOM 4 O MET A 1 -13.743 13.971 -5.290 1.00 0.00 O ATOM 5 CB MET A 1 -14.054 16.060 -7.055 1.00 0.00 C ATOM 6 CG MET A 1 -14.266 17.110 -8.136 1.00 0.00 C ATOM 7 SD MET A 1 -12.983 17.082 -9.403 1.00 0.00 S ATOM 8 CE MET A 1 -11.562 17.625 -8.455 1.00 0.00 C ATOM 0 H1 MET A 1 -16.125 14.985 -8.598 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.111 13.498 -7.779 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.368 14.939 -6.918 1.00 0.00 H new ATOM 0 HA MET A 1 -13.894 14.433 -8.443 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.660 16.318 -6.187 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.012 16.086 -6.735 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.237 16.950 -8.605 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.293 18.098 -7.676 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.801 18.014 -9.131 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.866 18.408 -7.761 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.154 16.783 -7.896 1.00 0.00 H new ATOM 20 N ILE A 2 -13.778 12.387 -6.879 1.00 0.00 N ATOM 21 CA ILE A 2 -13.321 11.332 -5.991 1.00 0.00 C ATOM 22 C ILE A 2 -11.953 10.819 -6.432 1.00 0.00 C ATOM 23 O ILE A 2 -11.669 10.733 -7.630 1.00 0.00 O ATOM 24 CB ILE A 2 -14.351 10.165 -5.950 1.00 0.00 C ATOM 25 CG1 ILE A 2 -15.235 10.286 -4.708 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.679 8.795 -5.990 1.00 0.00 C ATOM 27 CD1 ILE A 2 -16.261 9.179 -4.583 1.00 0.00 C ATOM 0 H ILE A 2 -13.962 12.083 -7.835 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.229 11.745 -4.986 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.968 10.246 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -14.602 10.285 -3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -15.750 11.246 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.440 8.015 -5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.100 8.701 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.017 8.689 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -16.851 9.330 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.918 9.192 -5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.753 8.216 -4.527 1.00 0.00 H new ATOM 39 N PRO A 3 -11.082 10.497 -5.466 1.00 0.00 N ATOM 40 CA PRO A 3 -9.819 9.848 -5.733 1.00 0.00 C ATOM 41 C PRO A 3 -9.959 8.335 -5.670 1.00 0.00 C ATOM 42 O PRO A 3 -10.860 7.808 -5.019 1.00 0.00 O ATOM 43 CB PRO A 3 -8.913 10.350 -4.602 1.00 0.00 C ATOM 44 CG PRO A 3 -9.822 10.937 -3.559 1.00 0.00 C ATOM 45 CD PRO A 3 -11.243 10.758 -4.036 1.00 0.00 C ATOM 0 HA PRO A 3 -9.432 10.073 -6.727 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.322 9.534 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.210 11.098 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.675 10.440 -2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.599 11.993 -3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.737 9.930 -3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.845 11.648 -3.854 1.00 0.00 H new ATOM 53 N ASP A 4 -9.064 7.638 -6.326 1.00 0.00 N ATOM 54 CA ASP A 4 -9.105 6.196 -6.355 1.00 0.00 C ATOM 55 C ASP A 4 -7.693 5.697 -6.176 1.00 0.00 C ATOM 56 O ASP A 4 -6.876 5.794 -7.087 1.00 0.00 O ATOM 57 CB ASP A 4 -9.709 5.714 -7.679 1.00 0.00 C ATOM 58 CG ASP A 4 -9.835 4.206 -7.769 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.779 3.642 -7.176 1.00 0.00 O ATOM 60 OD2 ASP A 4 -9.008 3.585 -8.463 1.00 0.00 O ATOM 0 H ASP A 4 -8.292 8.050 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.734 5.805 -5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.695 6.162 -7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.090 6.069 -8.503 1.00 0.00 H new ATOM 65 N LEU A 5 -7.388 5.191 -4.999 1.00 0.00 N ATOM 66 CA LEU A 5 -6.015 4.869 -4.684 1.00 0.00 C ATOM 67 C LEU A 5 -5.811 3.388 -4.868 1.00 0.00 C ATOM 68 O LEU A 5 -6.545 2.578 -4.311 1.00 0.00 O ATOM 69 CB LEU A 5 -5.707 5.250 -3.231 1.00 0.00 C ATOM 70 CG LEU A 5 -6.134 6.662 -2.817 1.00 0.00 C ATOM 71 CD1 LEU A 5 -5.957 6.856 -1.321 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.339 7.707 -3.577 1.00 0.00 C ATOM 0 H LEU A 5 -8.060 4.997 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.348 5.425 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.198 4.533 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.634 5.150 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.189 6.783 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.265 7.865 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.569 6.131 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.909 6.712 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.658 8.702 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.277 7.583 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.510 7.587 -4.647 1.00 0.00 H new ATOM 84 N VAL A 6 -4.813 3.040 -5.653 1.00 0.00 N ATOM 85 CA VAL A 6 -4.561 1.655 -5.968 1.00 0.00 C ATOM 86 C VAL A 6 -3.126 1.285 -5.626 1.00 0.00 C ATOM 87 O VAL A 6 -2.208 2.070 -5.859 1.00 0.00 O ATOM 88 CB VAL A 6 -4.806 1.400 -7.474 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.914 -0.089 -7.771 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.049 2.144 -7.952 1.00 0.00 C ATOM 0 H VAL A 6 -4.165 3.699 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.241 1.040 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.947 1.785 -8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.086 -0.236 -8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.988 -0.586 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.745 -0.513 -7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.203 1.951 -9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.918 1.799 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.916 3.214 -7.793 1.00 0.00 H new ATOM 100 N PRO A 7 -2.905 0.091 -5.080 1.00 0.00 N ATOM 101 CA PRO A 7 -1.587 -0.486 -4.950 1.00 0.00 C ATOM 102 C PRO A 7 -1.280 -1.364 -6.156 1.00 0.00 C ATOM 103 O PRO A 7 -1.759 -2.494 -6.263 1.00 0.00 O ATOM 104 CB PRO A 7 -1.691 -1.313 -3.661 1.00 0.00 C ATOM 105 CG PRO A 7 -3.149 -1.318 -3.286 1.00 0.00 C ATOM 106 CD PRO A 7 -3.904 -0.776 -4.468 1.00 0.00 C ATOM 0 HA PRO A 7 -0.785 0.251 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.325 -2.328 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.086 -0.875 -2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.482 -2.327 -3.044 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.323 -0.704 -2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.230 -1.567 -5.144 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.796 -0.226 -4.168 1.00 0.00 H new ATOM 114 N VAL A 8 -0.508 -0.826 -7.083 1.00 0.00 N ATOM 115 CA VAL A 8 -0.290 -1.484 -8.364 1.00 0.00 C ATOM 116 C VAL A 8 0.742 -2.599 -8.259 1.00 0.00 C ATOM 117 O VAL A 8 0.675 -3.584 -8.994 1.00 0.00 O ATOM 118 CB VAL A 8 0.138 -0.479 -9.458 1.00 0.00 C ATOM 119 CG1 VAL A 8 -0.976 0.520 -9.729 1.00 0.00 C ATOM 120 CG2 VAL A 8 1.419 0.246 -9.068 1.00 0.00 C ATOM 0 H VAL A 8 -0.021 0.064 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.246 -1.923 -8.650 1.00 0.00 H new ATOM 0 HB VAL A 8 0.334 -1.041 -10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.657 1.220 -10.502 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.867 -0.011 -10.065 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.204 1.068 -8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.695 0.946 -9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.260 0.792 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.220 -0.480 -8.930 1.00 0.00 H new ATOM 130 N SER A 9 1.674 -2.461 -7.329 1.00 0.00 N ATOM 131 CA SER A 9 2.747 -3.427 -7.196 1.00 0.00 C ATOM 132 C SER A 9 3.325 -3.405 -5.790 1.00 0.00 C ATOM 133 O SER A 9 3.345 -2.360 -5.131 1.00 0.00 O ATOM 134 CB SER A 9 3.850 -3.123 -8.215 1.00 0.00 C ATOM 135 OG SER A 9 4.893 -4.081 -8.163 1.00 0.00 O ATOM 0 H SER A 9 1.707 -1.692 -6.659 1.00 0.00 H new ATOM 0 HA SER A 9 2.340 -4.420 -7.386 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.423 -3.104 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.258 -2.131 -8.024 1.00 0.00 H new ATOM 0 HG SER A 9 5.577 -3.856 -8.827 1.00 0.00 H new ATOM 141 N LEU A 10 3.771 -4.566 -5.336 1.00 0.00 N ATOM 142 CA LEU A 10 4.504 -4.675 -4.092 1.00 0.00 C ATOM 143 C LEU A 10 5.803 -5.426 -4.350 1.00 0.00 C ATOM 144 O LEU A 10 5.798 -6.519 -4.915 1.00 0.00 O ATOM 145 CB LEU A 10 3.646 -5.419 -3.059 1.00 0.00 C ATOM 146 CG LEU A 10 4.383 -5.961 -1.829 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.900 -4.835 -0.949 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.469 -6.880 -1.035 1.00 0.00 C ATOM 0 H LEU A 10 3.634 -5.453 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 10 4.737 -3.684 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.860 -4.745 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.155 -6.254 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 10 5.245 -6.530 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.417 -5.255 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.591 -4.215 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.063 -4.226 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.003 -7.259 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.589 -6.325 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.159 -7.715 -1.663 1.00 0.00 H new ATOM 160 N THR A 11 6.908 -4.824 -3.962 1.00 0.00 N ATOM 161 CA THR A 11 8.209 -5.441 -4.113 1.00 0.00 C ATOM 162 C THR A 11 8.897 -5.551 -2.746 1.00 0.00 C ATOM 163 O THR A 11 8.614 -4.753 -1.850 1.00 0.00 O ATOM 164 CB THR A 11 9.065 -4.646 -5.129 1.00 0.00 C ATOM 165 OG1 THR A 11 10.201 -5.409 -5.552 1.00 0.00 O ATOM 166 CG2 THR A 11 9.528 -3.326 -4.547 1.00 0.00 C ATOM 0 H THR A 11 6.930 -3.898 -3.535 1.00 0.00 H new ATOM 0 HA THR A 11 8.090 -6.450 -4.507 1.00 0.00 H new ATOM 0 HB THR A 11 8.432 -4.443 -5.993 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.725 -4.887 -6.195 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.126 -2.793 -5.286 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.661 -2.723 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.130 -3.512 -3.658 1.00 0.00 H new ATOM 174 N PRO A 12 9.783 -6.536 -2.545 1.00 0.00 N ATOM 175 CA PRO A 12 10.081 -7.566 -3.536 1.00 0.00 C ATOM 176 C PRO A 12 9.045 -8.685 -3.544 1.00 0.00 C ATOM 177 O PRO A 12 8.434 -8.991 -2.520 1.00 0.00 O ATOM 178 CB PRO A 12 11.438 -8.094 -3.077 1.00 0.00 C ATOM 179 CG PRO A 12 11.427 -7.921 -1.598 1.00 0.00 C ATOM 180 CD PRO A 12 10.588 -6.701 -1.322 1.00 0.00 C ATOM 0 HA PRO A 12 10.075 -7.175 -4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.570 -9.140 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.256 -7.538 -3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.009 -8.800 -1.107 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.439 -7.792 -1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.956 -6.841 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.208 -5.825 -1.131 1.00 0.00 H new ATOM 188 N VAL A 13 8.849 -9.286 -4.709 1.00 0.00 N ATOM 189 CA VAL A 13 7.922 -10.408 -4.847 1.00 0.00 C ATOM 190 C VAL A 13 8.453 -11.652 -4.129 1.00 0.00 C ATOM 191 O VAL A 13 7.694 -12.566 -3.798 1.00 0.00 O ATOM 192 CB VAL A 13 7.642 -10.745 -6.330 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.985 -9.565 -7.031 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.917 -11.152 -7.053 1.00 0.00 C ATOM 0 H VAL A 13 9.318 -9.018 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 13 6.985 -10.100 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 13 6.956 -11.592 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.796 -9.821 -8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.042 -9.328 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.646 -8.700 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.688 -11.383 -8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.635 -10.333 -7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.343 -12.032 -6.572 1.00 0.00 H new ATOM 204 N THR A 14 9.760 -11.684 -3.911 1.00 0.00 N ATOM 205 CA THR A 14 10.389 -12.734 -3.139 1.00 0.00 C ATOM 206 C THR A 14 11.198 -12.131 -1.991 1.00 0.00 C ATOM 207 O THR A 14 11.977 -11.202 -2.197 1.00 0.00 O ATOM 208 CB THR A 14 11.300 -13.598 -4.027 1.00 0.00 C ATOM 209 OG1 THR A 14 11.803 -12.823 -5.125 1.00 0.00 O ATOM 210 CG2 THR A 14 10.558 -14.820 -4.551 1.00 0.00 C ATOM 0 H THR A 14 10.409 -10.982 -4.266 1.00 0.00 H new ATOM 0 HA THR A 14 9.605 -13.371 -2.729 1.00 0.00 H new ATOM 0 HB THR A 14 12.136 -13.941 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.383 -13.383 -5.682 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.227 -15.412 -5.176 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.215 -15.425 -3.712 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.700 -14.499 -5.141 1.00 0.00 H new ATOM 218 N VAL A 15 11.009 -12.650 -0.788 1.00 0.00 N ATOM 219 CA VAL A 15 11.637 -12.072 0.395 1.00 0.00 C ATOM 220 C VAL A 15 12.650 -13.024 1.020 1.00 0.00 C ATOM 221 O VAL A 15 12.509 -14.244 0.938 1.00 0.00 O ATOM 222 CB VAL A 15 10.584 -11.680 1.452 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.712 -10.547 0.936 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.728 -12.878 1.839 1.00 0.00 C ATOM 0 H VAL A 15 10.428 -13.468 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 15 12.161 -11.176 0.063 1.00 0.00 H new ATOM 0 HB VAL A 15 11.109 -11.338 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.974 -10.282 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.335 -9.680 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.201 -10.866 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.994 -12.575 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.213 -13.257 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.364 -13.661 2.253 1.00 0.00 H new ATOM 234 N VAL A 16 13.679 -12.459 1.635 1.00 0.00 N ATOM 235 CA VAL A 16 14.703 -13.244 2.291 1.00 0.00 C ATOM 236 C VAL A 16 14.457 -13.333 3.793 1.00 0.00 C ATOM 237 O VAL A 16 14.443 -12.318 4.489 1.00 0.00 O ATOM 238 CB VAL A 16 16.108 -12.659 2.039 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.606 -13.041 0.659 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.114 -11.143 2.197 1.00 0.00 C ATOM 0 H VAL A 16 13.823 -11.451 1.691 1.00 0.00 H new ATOM 0 HA VAL A 16 14.654 -14.245 1.863 1.00 0.00 H new ATOM 0 HB VAL A 16 16.780 -13.081 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.598 -12.619 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.656 -14.127 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 16 15.922 -12.652 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.119 -10.762 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 16 15.421 -10.700 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.807 -10.881 3.210 1.00 0.00 H new ATOM 250 N PRO A 17 14.238 -14.552 4.309 1.00 0.00 N ATOM 251 CA PRO A 17 14.135 -14.791 5.745 1.00 0.00 C ATOM 252 C PRO A 17 15.497 -14.641 6.408 1.00 0.00 C ATOM 253 O PRO A 17 16.277 -15.593 6.475 1.00 0.00 O ATOM 254 CB PRO A 17 13.629 -16.238 5.856 1.00 0.00 C ATOM 255 CG PRO A 17 13.242 -16.637 4.469 1.00 0.00 C ATOM 256 CD PRO A 17 14.068 -15.791 3.543 1.00 0.00 C ATOM 0 HA PRO A 17 13.472 -14.083 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.404 -16.895 6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.779 -16.305 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.433 -17.697 4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.178 -16.474 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.025 -16.259 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.561 -15.615 2.594 1.00 0.00 H new ATOM 264 N ASN A 18 15.791 -13.432 6.862 1.00 0.00 N ATOM 265 CA ASN A 18 17.124 -13.107 7.350 1.00 0.00 C ATOM 266 C ASN A 18 17.111 -11.831 8.179 1.00 0.00 C ATOM 267 O ASN A 18 17.751 -11.745 9.227 1.00 0.00 O ATOM 268 CB ASN A 18 18.075 -12.942 6.157 1.00 0.00 C ATOM 269 CG ASN A 18 19.471 -12.511 6.559 1.00 0.00 C ATOM 270 OD1 ASN A 18 19.770 -11.317 6.628 1.00 0.00 O ATOM 271 ND2 ASN A 18 20.337 -13.476 6.810 1.00 0.00 N ATOM 0 H ASN A 18 15.126 -12.660 6.903 1.00 0.00 H new ATOM 0 HA ASN A 18 17.466 -13.921 7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.135 -13.886 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.659 -12.206 5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 18 21.295 -13.246 7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 18 20.048 -14.452 6.741 1.00 0.00 H new ATOM 278 N THR A 19 16.366 -10.847 7.711 1.00 0.00 N ATOM 279 CA THR A 19 16.381 -9.529 8.315 1.00 0.00 C ATOM 280 C THR A 19 14.992 -8.899 8.229 1.00 0.00 C ATOM 281 O THR A 19 14.019 -9.577 7.892 1.00 0.00 O ATOM 282 CB THR A 19 17.422 -8.636 7.594 1.00 0.00 C ATOM 283 OG1 THR A 19 17.570 -7.374 8.260 1.00 0.00 O ATOM 284 CG2 THR A 19 17.025 -8.408 6.140 1.00 0.00 C ATOM 0 H THR A 19 15.740 -10.937 6.911 1.00 0.00 H new ATOM 0 HA THR A 19 16.658 -9.618 9.365 1.00 0.00 H new ATOM 0 HB THR A 19 18.378 -9.158 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.234 -6.830 7.786 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.770 -7.779 5.654 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.967 -9.366 5.624 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.053 -7.916 6.101 1.00 0.00 H new ATOM 292 N VAL A 20 14.897 -7.619 8.559 1.00 0.00 N ATOM 293 CA VAL A 20 13.666 -6.880 8.370 1.00 0.00 C ATOM 294 C VAL A 20 13.606 -6.373 6.940 1.00 0.00 C ATOM 295 O VAL A 20 14.440 -5.571 6.514 1.00 0.00 O ATOM 296 CB VAL A 20 13.541 -5.691 9.344 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.220 -4.964 9.138 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.666 -6.168 10.780 1.00 0.00 C ATOM 0 H VAL A 20 15.661 -7.074 8.959 1.00 0.00 H new ATOM 0 HA VAL A 20 12.836 -7.556 8.574 1.00 0.00 H new ATOM 0 HB VAL A 20 14.352 -4.992 9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.152 -4.129 9.835 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.167 -4.589 8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.394 -5.653 9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.576 -5.317 11.455 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.875 -6.887 10.995 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.637 -6.643 10.922 1.00 0.00 H new ATOM 308 N ASN A 21 12.625 -6.850 6.206 1.00 0.00 N ATOM 309 CA ASN A 21 12.510 -6.557 4.793 1.00 0.00 C ATOM 310 C ASN A 21 11.653 -5.323 4.597 1.00 0.00 C ATOM 311 O ASN A 21 10.486 -5.296 4.996 1.00 0.00 O ATOM 312 CB ASN A 21 11.891 -7.751 4.058 1.00 0.00 C ATOM 313 CG ASN A 21 12.629 -9.048 4.334 1.00 0.00 C ATOM 314 OD1 ASN A 21 12.402 -9.695 5.352 1.00 0.00 O ATOM 315 ND2 ASN A 21 13.502 -9.454 3.427 1.00 0.00 N ATOM 0 H ASN A 21 11.886 -7.451 6.570 1.00 0.00 H new ATOM 0 HA ASN A 21 13.503 -6.371 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.849 -7.858 4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.895 -7.555 2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.009 -10.328 3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.668 -8.893 2.592 1.00 0.00 H new ATOM 322 N THR A 22 12.238 -4.290 4.018 1.00 0.00 N ATOM 323 CA THR A 22 11.495 -3.084 3.732 1.00 0.00 C ATOM 324 C THR A 22 10.687 -3.264 2.448 1.00 0.00 C ATOM 325 O THR A 22 11.204 -3.113 1.339 1.00 0.00 O ATOM 326 CB THR A 22 12.417 -1.855 3.623 1.00 0.00 C ATOM 327 OG1 THR A 22 13.195 -1.713 4.823 1.00 0.00 O ATOM 328 CG2 THR A 22 11.602 -0.594 3.412 1.00 0.00 C ATOM 0 H THR A 22 13.219 -4.265 3.740 1.00 0.00 H new ATOM 0 HA THR A 22 10.814 -2.904 4.564 1.00 0.00 H new ATOM 0 HB THR A 22 13.079 -2.003 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.779 -0.930 4.743 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.271 0.263 3.337 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.024 -0.684 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.925 -0.453 4.254 1.00 0.00 H new ATOM 336 N MET A 23 9.423 -3.624 2.621 1.00 0.00 N ATOM 337 CA MET A 23 8.539 -3.917 1.503 1.00 0.00 C ATOM 338 C MET A 23 8.027 -2.629 0.878 1.00 0.00 C ATOM 339 O MET A 23 7.476 -1.777 1.569 1.00 0.00 O ATOM 340 CB MET A 23 7.364 -4.778 1.970 1.00 0.00 C ATOM 341 CG MET A 23 7.787 -6.096 2.598 1.00 0.00 C ATOM 342 SD MET A 23 8.657 -7.174 1.445 1.00 0.00 S ATOM 343 CE MET A 23 7.370 -7.490 0.240 1.00 0.00 C ATOM 0 H MET A 23 8.983 -3.721 3.536 1.00 0.00 H new ATOM 0 HA MET A 23 9.104 -4.468 0.751 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.775 -4.213 2.693 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.714 -4.983 1.119 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.430 -5.895 3.455 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.905 -6.613 2.976 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.375 -8.546 -0.029 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.401 -7.229 0.666 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.549 -6.887 -0.650 1.00 0.00 H new ATOM 353 N THR A 24 8.206 -2.499 -0.423 1.00 0.00 N ATOM 354 CA THR A 24 7.836 -1.285 -1.122 1.00 0.00 C ATOM 355 C THR A 24 6.555 -1.478 -1.933 1.00 0.00 C ATOM 356 O THR A 24 6.530 -2.229 -2.911 1.00 0.00 O ATOM 357 CB THR A 24 8.969 -0.834 -2.060 1.00 0.00 C ATOM 358 OG1 THR A 24 10.215 -0.836 -1.352 1.00 0.00 O ATOM 359 CG2 THR A 24 8.701 0.558 -2.609 1.00 0.00 C ATOM 0 H THR A 24 8.607 -3.223 -1.019 1.00 0.00 H new ATOM 0 HA THR A 24 7.660 -0.517 -0.369 1.00 0.00 H new ATOM 0 HB THR A 24 9.018 -1.533 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.104 -0.375 -0.494 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.517 0.852 -3.269 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.765 0.555 -3.168 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.628 1.267 -1.784 1.00 0.00 H new ATOM 367 N ALA A 25 5.494 -0.805 -1.515 1.00 0.00 N ATOM 368 CA ALA A 25 4.234 -0.832 -2.236 1.00 0.00 C ATOM 369 C ALA A 25 4.044 0.469 -3.001 1.00 0.00 C ATOM 370 O ALA A 25 4.213 1.553 -2.446 1.00 0.00 O ATOM 371 CB ALA A 25 3.076 -1.060 -1.277 1.00 0.00 C ATOM 0 H ALA A 25 5.483 -0.229 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 25 4.255 -1.657 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.140 -1.077 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.210 -2.012 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.047 -0.254 -0.544 1.00 0.00 H new ATOM 377 N THR A 26 3.714 0.365 -4.273 1.00 0.00 N ATOM 378 CA THR A 26 3.504 1.540 -5.097 1.00 0.00 C ATOM 379 C THR A 26 2.020 1.891 -5.156 1.00 0.00 C ATOM 380 O THR A 26 1.226 1.172 -5.771 1.00 0.00 O ATOM 381 CB THR A 26 4.048 1.325 -6.521 1.00 0.00 C ATOM 382 OG1 THR A 26 5.398 0.842 -6.453 1.00 0.00 O ATOM 383 CG2 THR A 26 4.012 2.621 -7.321 1.00 0.00 C ATOM 0 H THR A 26 3.585 -0.522 -4.760 1.00 0.00 H new ATOM 0 HA THR A 26 4.049 2.367 -4.642 1.00 0.00 H new ATOM 0 HB THR A 26 3.416 0.592 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.742 0.704 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.402 2.441 -8.323 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.984 2.978 -7.390 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.624 3.373 -6.823 1.00 0.00 H new ATOM 391 N ILE A 27 1.651 2.977 -4.490 1.00 0.00 N ATOM 392 CA ILE A 27 0.264 3.420 -4.458 1.00 0.00 C ATOM 393 C ILE A 27 0.060 4.552 -5.453 1.00 0.00 C ATOM 394 O ILE A 27 0.705 5.596 -5.352 1.00 0.00 O ATOM 395 CB ILE A 27 -0.157 3.913 -3.053 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.321 2.946 -1.964 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.670 4.088 -2.984 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.193 1.530 -2.115 1.00 0.00 C ATOM 0 H ILE A 27 2.294 3.568 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.354 2.561 -4.720 1.00 0.00 H new ATOM 0 HB ILE A 27 0.316 4.879 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.411 2.926 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.011 3.330 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.951 4.435 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.986 4.820 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.156 3.134 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.194 0.914 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.282 1.533 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.139 1.122 -3.070 1.00 0.00 H new ATOM 410 N GLU A 28 -0.823 4.339 -6.412 1.00 0.00 N ATOM 411 CA GLU A 28 -1.108 5.345 -7.420 1.00 0.00 C ATOM 412 C GLU A 28 -2.547 5.824 -7.294 1.00 0.00 C ATOM 413 O GLU A 28 -3.463 5.024 -7.098 1.00 0.00 O ATOM 414 CB GLU A 28 -0.853 4.789 -8.824 1.00 0.00 C ATOM 415 CG GLU A 28 -1.162 5.781 -9.935 1.00 0.00 C ATOM 416 CD GLU A 28 -0.750 5.276 -11.301 1.00 0.00 C ATOM 417 OE1 GLU A 28 -1.436 4.386 -11.847 1.00 0.00 O ATOM 418 OE2 GLU A 28 0.259 5.772 -11.840 1.00 0.00 O ATOM 0 H GLU A 28 -1.357 3.476 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.441 6.192 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.190 4.483 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.459 3.894 -8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.231 5.995 -9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.650 6.721 -9.730 1.00 0.00 H new ATOM 425 N ASN A 29 -2.733 7.128 -7.387 1.00 0.00 N ATOM 426 CA ASN A 29 -4.062 7.721 -7.319 1.00 0.00 C ATOM 427 C ASN A 29 -4.651 7.860 -8.717 1.00 0.00 C ATOM 428 O ASN A 29 -4.327 8.795 -9.454 1.00 0.00 O ATOM 429 CB ASN A 29 -3.996 9.076 -6.616 1.00 0.00 C ATOM 430 CG ASN A 29 -5.329 9.798 -6.576 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.396 9.186 -6.643 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.269 11.109 -6.445 1.00 0.00 N ATOM 0 H ASN A 29 -1.978 7.802 -7.511 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.714 7.066 -6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.639 8.931 -5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.265 9.705 -7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.128 11.656 -6.395 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.363 11.575 -6.393 1.00 0.00 H new ATOM 439 N GLN A 30 -5.518 6.923 -9.071 1.00 0.00 N ATOM 440 CA GLN A 30 -6.092 6.857 -10.406 1.00 0.00 C ATOM 441 C GLN A 30 -7.491 7.471 -10.427 1.00 0.00 C ATOM 442 O GLN A 30 -8.421 6.914 -11.016 1.00 0.00 O ATOM 443 CB GLN A 30 -6.146 5.400 -10.880 1.00 0.00 C ATOM 444 CG GLN A 30 -4.797 4.699 -10.827 1.00 0.00 C ATOM 445 CD GLN A 30 -4.827 3.298 -11.411 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.850 2.612 -11.380 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.696 2.862 -11.942 1.00 0.00 N ATOM 0 H GLN A 30 -5.843 6.189 -8.442 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.459 7.430 -11.083 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.857 4.851 -10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.522 5.372 -11.903 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.063 5.296 -11.369 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.463 4.647 -9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.871 3.462 -11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.649 1.926 -12.346 1.00 0.00 H new ATOM 456 N GLY A 31 -7.622 8.637 -9.809 1.00 0.00 N ATOM 457 CA GLY A 31 -8.894 9.330 -9.770 1.00 0.00 C ATOM 458 C GLY A 31 -8.712 10.831 -9.854 1.00 0.00 C ATOM 459 O GLY A 31 -7.625 11.340 -9.566 1.00 0.00 O ATOM 0 H GLY A 31 -6.862 9.119 -9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.519 8.992 -10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.419 9.077 -8.849 1.00 0.00 H new ATOM 463 N ASN A 32 -9.766 11.544 -10.233 1.00 0.00 N ATOM 464 CA ASN A 32 -9.669 12.986 -10.464 1.00 0.00 C ATOM 465 C ASN A 32 -9.896 13.761 -9.171 1.00 0.00 C ATOM 466 O ASN A 32 -10.805 14.585 -9.072 1.00 0.00 O ATOM 467 CB ASN A 32 -10.677 13.433 -11.530 1.00 0.00 C ATOM 468 CG ASN A 32 -10.347 14.799 -12.113 1.00 0.00 C ATOM 469 OD1 ASN A 32 -9.589 14.908 -13.077 1.00 0.00 O ATOM 470 ND2 ASN A 32 -10.917 15.848 -11.541 1.00 0.00 N ATOM 0 H ASN A 32 -10.695 11.152 -10.387 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.662 13.200 -10.823 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.702 12.696 -12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.675 13.461 -11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.733 16.786 -11.898 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.540 15.718 -10.744 1.00 0.00 H new ATOM 477 N LYS A 33 -9.096 13.451 -8.167 1.00 0.00 N ATOM 478 CA LYS A 33 -9.105 14.183 -6.912 1.00 0.00 C ATOM 479 C LYS A 33 -7.814 13.905 -6.162 1.00 0.00 C ATOM 480 O LYS A 33 -7.321 12.779 -6.183 1.00 0.00 O ATOM 481 CB LYS A 33 -10.311 13.780 -6.058 1.00 0.00 C ATOM 482 CG LYS A 33 -10.407 14.514 -4.729 1.00 0.00 C ATOM 483 CD LYS A 33 -10.607 16.007 -4.923 1.00 0.00 C ATOM 484 CE LYS A 33 -10.670 16.738 -3.592 1.00 0.00 C ATOM 485 NZ LYS A 33 -9.431 16.549 -2.789 1.00 0.00 N ATOM 0 H LYS A 33 -8.422 12.686 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.182 15.250 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.222 13.962 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.264 12.708 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.236 14.109 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.499 14.341 -4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.790 16.410 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.528 16.183 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.827 17.802 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.528 16.380 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.404 17.251 -2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.424 15.592 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.599 16.671 -3.401 1.00 0.00 H new ATOM 499 N ASP A 34 -7.247 14.922 -5.538 1.00 0.00 N ATOM 500 CA ASP A 34 -6.068 14.731 -4.704 1.00 0.00 C ATOM 501 C ASP A 34 -6.472 14.109 -3.373 1.00 0.00 C ATOM 502 O ASP A 34 -7.586 14.326 -2.890 1.00 0.00 O ATOM 503 CB ASP A 34 -5.341 16.058 -4.461 1.00 0.00 C ATOM 504 CG ASP A 34 -6.045 16.938 -3.445 1.00 0.00 C ATOM 505 OD1 ASP A 34 -7.110 17.504 -3.772 1.00 0.00 O ATOM 506 OD2 ASP A 34 -5.536 17.074 -2.313 1.00 0.00 O ATOM 0 H ASP A 34 -7.580 15.885 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.385 14.061 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.327 15.854 -4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.255 16.598 -5.404 1.00 0.00 H new ATOM 511 N SER A 35 -5.577 13.332 -2.789 1.00 0.00 N ATOM 512 CA SER A 35 -5.848 12.684 -1.519 1.00 0.00 C ATOM 513 C SER A 35 -4.831 13.119 -0.470 1.00 0.00 C ATOM 514 O SER A 35 -3.649 13.288 -0.767 1.00 0.00 O ATOM 515 CB SER A 35 -5.846 11.161 -1.686 1.00 0.00 C ATOM 516 OG SER A 35 -4.686 10.715 -2.368 1.00 0.00 O ATOM 0 H SER A 35 -4.654 13.134 -3.176 1.00 0.00 H new ATOM 0 HA SER A 35 -6.837 12.987 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.898 10.686 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.734 10.853 -2.237 1.00 0.00 H new ATOM 0 HG SER A 35 -4.106 11.481 -2.563 1.00 0.00 H new ATOM 522 N THR A 36 -5.305 13.321 0.745 1.00 0.00 N ATOM 523 CA THR A 36 -4.462 13.773 1.837 1.00 0.00 C ATOM 524 C THR A 36 -3.889 12.584 2.618 1.00 0.00 C ATOM 525 O THR A 36 -3.880 11.462 2.112 1.00 0.00 O ATOM 526 CB THR A 36 -5.272 14.693 2.763 1.00 0.00 C ATOM 527 OG1 THR A 36 -6.593 14.157 2.934 1.00 0.00 O ATOM 528 CG2 THR A 36 -5.361 16.101 2.186 1.00 0.00 C ATOM 0 H THR A 36 -6.281 13.177 1.003 1.00 0.00 H new ATOM 0 HA THR A 36 -3.621 14.331 1.425 1.00 0.00 H new ATOM 0 HB THR A 36 -4.767 14.747 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.110 14.743 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.939 16.734 2.859 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.358 16.512 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.850 16.065 1.212 1.00 0.00 H new ATOM 536 N SER A 37 -3.389 12.840 3.830 1.00 0.00 N ATOM 537 CA SER A 37 -2.803 11.799 4.673 1.00 0.00 C ATOM 538 C SER A 37 -3.702 10.571 4.784 1.00 0.00 C ATOM 539 O SER A 37 -4.810 10.643 5.323 1.00 0.00 O ATOM 540 CB SER A 37 -2.521 12.353 6.071 1.00 0.00 C ATOM 541 OG SER A 37 -1.650 13.472 6.013 1.00 0.00 O ATOM 0 H SER A 37 -3.380 13.769 4.251 1.00 0.00 H new ATOM 0 HA SER A 37 -1.872 11.488 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.458 12.642 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.076 11.574 6.691 1.00 0.00 H new ATOM 0 HG SER A 37 -1.354 13.609 5.089 1.00 0.00 H new ATOM 547 N PHE A 38 -3.218 9.449 4.270 1.00 0.00 N ATOM 548 CA PHE A 38 -3.952 8.196 4.355 1.00 0.00 C ATOM 549 C PHE A 38 -3.039 7.086 4.876 1.00 0.00 C ATOM 550 O PHE A 38 -1.826 7.109 4.653 1.00 0.00 O ATOM 551 CB PHE A 38 -4.563 7.823 2.995 1.00 0.00 C ATOM 552 CG PHE A 38 -3.559 7.488 1.929 1.00 0.00 C ATOM 553 CD1 PHE A 38 -2.863 8.484 1.262 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.315 6.170 1.594 1.00 0.00 C ATOM 555 CE1 PHE A 38 -1.942 8.164 0.282 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.396 5.848 0.619 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.709 6.841 -0.035 1.00 0.00 C ATOM 0 H PHE A 38 -2.320 9.382 3.790 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.775 8.321 5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.227 6.969 3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.178 8.653 2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.042 9.520 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.851 5.382 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.406 8.947 -0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.216 4.813 0.369 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.987 6.587 -0.797 1.00 0.00 H new ATOM 567 N ASN A 39 -3.623 6.129 5.575 1.00 0.00 N ATOM 568 CA ASN A 39 -2.859 5.093 6.264 1.00 0.00 C ATOM 569 C ASN A 39 -2.803 3.810 5.445 1.00 0.00 C ATOM 570 O ASN A 39 -3.797 3.104 5.333 1.00 0.00 O ATOM 571 CB ASN A 39 -3.508 4.779 7.618 1.00 0.00 C ATOM 572 CG ASN A 39 -3.781 6.014 8.455 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.962 6.416 9.282 1.00 0.00 O ATOM 574 ND2 ASN A 39 -4.934 6.633 8.241 1.00 0.00 N ATOM 0 H ASN A 39 -4.634 6.044 5.683 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.846 5.469 6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.445 4.249 7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.858 4.106 8.177 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.168 7.473 8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.587 6.269 7.547 1.00 0.00 H new ATOM 581 N VAL A 40 -1.648 3.488 4.889 1.00 0.00 N ATOM 582 CA VAL A 40 -1.514 2.257 4.123 1.00 0.00 C ATOM 583 C VAL A 40 -0.893 1.159 4.981 1.00 0.00 C ATOM 584 O VAL A 40 0.232 1.287 5.475 1.00 0.00 O ATOM 585 CB VAL A 40 -0.722 2.477 2.805 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.017 1.221 2.376 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.673 2.896 1.706 1.00 0.00 C ATOM 0 H VAL A 40 -0.800 4.051 4.951 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.513 1.933 3.832 1.00 0.00 H new ATOM 0 HB VAL A 40 0.015 3.259 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.559 1.416 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.722 0.930 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.699 0.415 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.116 3.050 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.420 2.116 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.170 3.824 1.989 1.00 0.00 H new ATOM 597 N SER A 41 -1.660 0.095 5.181 1.00 0.00 N ATOM 598 CA SER A 41 -1.252 -1.006 6.037 1.00 0.00 C ATOM 599 C SER A 41 -0.911 -2.240 5.212 1.00 0.00 C ATOM 600 O SER A 41 -1.514 -2.483 4.164 1.00 0.00 O ATOM 601 CB SER A 41 -2.381 -1.347 7.012 1.00 0.00 C ATOM 602 OG SER A 41 -2.818 -0.195 7.713 1.00 0.00 O ATOM 0 H SER A 41 -2.579 -0.027 4.755 1.00 0.00 H new ATOM 0 HA SER A 41 -0.364 -0.698 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.218 -1.783 6.466 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.037 -2.099 7.722 1.00 0.00 H new ATOM 0 HG SER A 41 -3.540 -0.441 8.328 1.00 0.00 H new ATOM 608 N LEU A 42 0.055 -3.015 5.683 1.00 0.00 N ATOM 609 CA LEU A 42 0.395 -4.273 5.043 1.00 0.00 C ATOM 610 C LEU A 42 -0.097 -5.437 5.892 1.00 0.00 C ATOM 611 O LEU A 42 0.376 -5.646 7.013 1.00 0.00 O ATOM 612 CB LEU A 42 1.903 -4.389 4.825 1.00 0.00 C ATOM 613 CG LEU A 42 2.341 -5.644 4.067 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.810 -5.621 2.643 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.853 -5.774 4.071 1.00 0.00 C ATOM 0 H LEU A 42 0.616 -2.793 6.506 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.094 -4.303 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.247 -3.511 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.400 -4.374 5.795 1.00 0.00 H new ATOM 0 HG LEU A 42 1.923 -6.513 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.132 -6.522 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.721 -5.582 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.196 -4.743 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.142 -6.673 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.295 -4.901 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.210 -5.842 5.099 1.00 0.00 H new ATOM 627 N LEU A 43 -1.056 -6.176 5.361 1.00 0.00 N ATOM 628 CA LEU A 43 -1.624 -7.311 6.066 1.00 0.00 C ATOM 629 C LEU A 43 -1.034 -8.609 5.537 1.00 0.00 C ATOM 630 O LEU A 43 -1.143 -8.910 4.353 1.00 0.00 O ATOM 631 CB LEU A 43 -3.153 -7.342 5.924 1.00 0.00 C ATOM 632 CG LEU A 43 -3.894 -6.091 6.410 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.923 -5.018 5.336 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.307 -6.449 6.850 1.00 0.00 C ATOM 0 H LEU A 43 -1.459 -6.009 4.439 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.377 -7.206 7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.398 -7.501 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.533 -8.203 6.474 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.353 -5.689 7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.455 -4.143 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.903 -4.738 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.432 -5.402 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.820 -5.550 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.851 -6.880 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.262 -7.173 7.663 1.00 0.00 H new ATOM 646 N VAL A 44 -0.406 -9.369 6.415 1.00 0.00 N ATOM 647 CA VAL A 44 0.169 -10.653 6.049 1.00 0.00 C ATOM 648 C VAL A 44 -0.758 -11.776 6.484 1.00 0.00 C ATOM 649 O VAL A 44 -0.842 -12.099 7.672 1.00 0.00 O ATOM 650 CB VAL A 44 1.562 -10.859 6.682 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.128 -12.224 6.319 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.513 -9.759 6.241 1.00 0.00 C ATOM 0 H VAL A 44 -0.280 -9.117 7.395 1.00 0.00 H new ATOM 0 HA VAL A 44 0.287 -10.665 4.965 1.00 0.00 H new ATOM 0 HB VAL A 44 1.452 -10.813 7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.110 -12.344 6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.459 -13.004 6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.221 -12.303 5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.490 -9.919 6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.611 -9.776 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.121 -8.792 6.555 1.00 0.00 H new ATOM 662 N ASP A 45 -1.493 -12.320 5.516 1.00 0.00 N ATOM 663 CA ASP A 45 -2.420 -13.429 5.751 1.00 0.00 C ATOM 664 C ASP A 45 -3.513 -13.050 6.748 1.00 0.00 C ATOM 665 O ASP A 45 -4.195 -13.919 7.298 1.00 0.00 O ATOM 666 CB ASP A 45 -1.669 -14.677 6.232 1.00 0.00 C ATOM 667 CG ASP A 45 -0.940 -15.387 5.106 1.00 0.00 C ATOM 668 OD1 ASP A 45 0.072 -14.850 4.613 1.00 0.00 O ATOM 669 OD2 ASP A 45 -1.383 -16.489 4.710 1.00 0.00 O ATOM 0 H ASP A 45 -1.464 -12.006 4.546 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.901 -13.656 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.952 -14.391 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.375 -15.366 6.695 1.00 0.00 H new ATOM 674 N GLY A 46 -3.688 -11.752 6.967 1.00 0.00 N ATOM 675 CA GLY A 46 -4.742 -11.286 7.842 1.00 0.00 C ATOM 676 C GLY A 46 -4.246 -10.328 8.906 1.00 0.00 C ATOM 677 O GLY A 46 -4.956 -9.398 9.284 1.00 0.00 O ATOM 0 H GLY A 46 -3.117 -11.015 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.510 -10.793 7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.213 -12.143 8.323 1.00 0.00 H new ATOM 681 N ILE A 47 -3.031 -10.543 9.388 1.00 0.00 N ATOM 682 CA ILE A 47 -2.492 -9.719 10.465 1.00 0.00 C ATOM 683 C ILE A 47 -1.755 -8.516 9.889 1.00 0.00 C ATOM 684 O ILE A 47 -1.192 -8.587 8.802 1.00 0.00 O ATOM 685 CB ILE A 47 -1.517 -10.507 11.364 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.048 -11.917 11.648 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.272 -9.762 12.671 1.00 0.00 C ATOM 688 CD1 ILE A 47 -3.369 -11.943 12.391 1.00 0.00 C ATOM 0 H ILE A 47 -2.402 -11.274 9.055 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.339 -9.395 11.070 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.570 -10.600 10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.165 -12.447 10.703 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.305 -12.463 12.230 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.582 -10.333 13.292 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.842 -8.783 12.457 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.216 -9.636 13.200 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.675 -12.977 12.553 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.255 -11.444 13.353 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.128 -11.427 11.802 1.00 0.00 H new ATOM 700 N VAL A 48 -1.745 -7.425 10.626 1.00 0.00 N ATOM 701 CA VAL A 48 -1.085 -6.207 10.177 1.00 0.00 C ATOM 702 C VAL A 48 0.312 -6.119 10.780 1.00 0.00 C ATOM 703 O VAL A 48 0.464 -5.959 11.989 1.00 0.00 O ATOM 704 CB VAL A 48 -1.888 -4.946 10.561 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.210 -3.689 10.035 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.315 -5.040 10.043 1.00 0.00 C ATOM 0 H VAL A 48 -2.187 -7.352 11.542 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.020 -6.251 9.090 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.920 -4.884 11.649 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.795 -2.814 10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.210 -3.610 10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.139 -3.741 8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.864 -4.141 10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.303 -5.133 8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.802 -5.913 10.476 1.00 0.00 H new ATOM 716 N VAL A 49 1.329 -6.235 9.937 1.00 0.00 N ATOM 717 CA VAL A 49 2.708 -6.215 10.413 1.00 0.00 C ATOM 718 C VAL A 49 3.234 -4.789 10.533 1.00 0.00 C ATOM 719 O VAL A 49 4.036 -4.487 11.419 1.00 0.00 O ATOM 720 CB VAL A 49 3.647 -7.041 9.505 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.296 -8.519 9.583 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.588 -6.554 8.063 1.00 0.00 C ATOM 0 H VAL A 49 1.228 -6.343 8.928 1.00 0.00 H new ATOM 0 HA VAL A 49 2.699 -6.673 11.402 1.00 0.00 H new ATOM 0 HB VAL A 49 4.667 -6.904 9.863 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.966 -9.087 8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.403 -8.865 10.611 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.267 -8.666 9.256 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.259 -7.154 7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.569 -6.650 7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.894 -5.509 8.019 1.00 0.00 H new ATOM 732 N ASP A 50 2.772 -3.908 9.653 1.00 0.00 N ATOM 733 CA ASP A 50 3.226 -2.523 9.662 1.00 0.00 C ATOM 734 C ASP A 50 2.230 -1.626 8.935 1.00 0.00 C ATOM 735 O ASP A 50 1.377 -2.106 8.181 1.00 0.00 O ATOM 736 CB ASP A 50 4.613 -2.410 9.017 1.00 0.00 C ATOM 737 CG ASP A 50 5.267 -1.064 9.270 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.944 -0.428 10.296 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.118 -0.653 8.461 1.00 0.00 O ATOM 0 H ASP A 50 2.088 -4.126 8.929 1.00 0.00 H new ATOM 0 HA ASP A 50 3.295 -2.192 10.698 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.255 -3.200 9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.524 -2.570 7.943 1.00 0.00 H new ATOM 744 N THR A 51 2.331 -0.329 9.180 1.00 0.00 N ATOM 745 CA THR A 51 1.453 0.653 8.565 1.00 0.00 C ATOM 746 C THR A 51 2.192 1.976 8.403 1.00 0.00 C ATOM 747 O THR A 51 2.800 2.473 9.351 1.00 0.00 O ATOM 748 CB THR A 51 0.187 0.877 9.416 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.513 -0.364 9.578 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.737 1.904 8.776 1.00 0.00 C ATOM 0 H THR A 51 3.024 0.072 9.811 1.00 0.00 H new ATOM 0 HA THR A 51 1.152 0.273 7.589 1.00 0.00 H new ATOM 0 HB THR A 51 0.497 1.258 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.367 -0.322 9.100 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.620 2.039 9.401 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.213 2.855 8.679 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.041 1.555 7.789 1.00 0.00 H new ATOM 758 N GLN A 52 2.146 2.539 7.206 1.00 0.00 N ATOM 759 CA GLN A 52 2.817 3.797 6.946 1.00 0.00 C ATOM 760 C GLN A 52 1.802 4.863 6.558 1.00 0.00 C ATOM 761 O GLN A 52 1.084 4.717 5.564 1.00 0.00 O ATOM 762 CB GLN A 52 3.852 3.642 5.831 1.00 0.00 C ATOM 763 CG GLN A 52 4.811 4.818 5.741 1.00 0.00 C ATOM 764 CD GLN A 52 5.411 4.992 4.360 1.00 0.00 C ATOM 765 OE1 GLN A 52 6.462 4.435 4.043 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.742 5.776 3.529 1.00 0.00 N ATOM 0 H GLN A 52 1.653 2.145 6.405 1.00 0.00 H new ATOM 0 HA GLN A 52 3.330 4.102 7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.422 2.728 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.336 3.528 4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.284 5.731 6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.614 4.680 6.465 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.874 6.218 3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.094 5.938 2.585 1.00 0.00 H new ATOM 775 N THR A 53 1.727 5.917 7.351 1.00 0.00 N ATOM 776 CA THR A 53 0.866 7.040 7.038 1.00 0.00 C ATOM 777 C THR A 53 1.477 7.869 5.917 1.00 0.00 C ATOM 778 O THR A 53 2.486 8.549 6.111 1.00 0.00 O ATOM 779 CB THR A 53 0.639 7.938 8.271 1.00 0.00 C ATOM 780 OG1 THR A 53 0.197 7.142 9.377 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.395 9.016 7.973 1.00 0.00 C ATOM 0 H THR A 53 2.254 6.017 8.218 1.00 0.00 H new ATOM 0 HA THR A 53 -0.097 6.640 6.721 1.00 0.00 H new ATOM 0 HB THR A 53 1.583 8.421 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.755 6.934 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.538 9.637 8.857 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.047 9.636 7.147 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.341 8.548 7.701 1.00 0.00 H new ATOM 789 N VAL A 54 0.877 7.792 4.741 1.00 0.00 N ATOM 790 CA VAL A 54 1.341 8.564 3.606 1.00 0.00 C ATOM 791 C VAL A 54 0.872 10.001 3.759 1.00 0.00 C ATOM 792 O VAL A 54 -0.311 10.247 3.994 1.00 0.00 O ATOM 793 CB VAL A 54 0.823 7.988 2.270 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.421 8.744 1.092 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.131 6.500 2.166 1.00 0.00 C ATOM 0 H VAL A 54 0.067 7.202 4.550 1.00 0.00 H new ATOM 0 HA VAL A 54 2.430 8.519 3.585 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.260 8.113 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.044 8.323 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.141 9.796 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.507 8.656 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.757 6.116 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.209 6.347 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.648 5.970 2.987 1.00 0.00 H new ATOM 805 N THR A 55 1.801 10.938 3.642 1.00 0.00 N ATOM 806 CA THR A 55 1.524 12.341 3.892 1.00 0.00 C ATOM 807 C THR A 55 0.395 12.864 3.001 1.00 0.00 C ATOM 808 O THR A 55 -0.560 13.461 3.497 1.00 0.00 O ATOM 809 CB THR A 55 2.791 13.185 3.676 1.00 0.00 C ATOM 810 OG1 THR A 55 3.910 12.543 4.308 1.00 0.00 O ATOM 811 CG2 THR A 55 2.621 14.587 4.244 1.00 0.00 C ATOM 0 H THR A 55 2.766 10.746 3.372 1.00 0.00 H new ATOM 0 HA THR A 55 1.203 12.429 4.930 1.00 0.00 H new ATOM 0 HB THR A 55 2.967 13.269 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.717 13.081 4.168 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.533 15.160 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.785 15.081 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.423 14.525 5.314 1.00 0.00 H new ATOM 819 N SER A 56 0.497 12.613 1.697 1.00 0.00 N ATOM 820 CA SER A 56 -0.484 13.087 0.715 1.00 0.00 C ATOM 821 C SER A 56 -0.203 12.443 -0.640 1.00 0.00 C ATOM 822 O SER A 56 0.946 12.125 -0.958 1.00 0.00 O ATOM 823 CB SER A 56 -0.441 14.618 0.551 1.00 0.00 C ATOM 824 OG SER A 56 -0.666 15.298 1.775 1.00 0.00 O ATOM 0 H SER A 56 1.261 12.075 1.289 1.00 0.00 H new ATOM 0 HA SER A 56 -1.473 12.808 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.529 14.911 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.193 14.924 -0.176 1.00 0.00 H new ATOM 0 HG SER A 56 -1.020 14.669 2.438 1.00 0.00 H new ATOM 830 N LEU A 57 -1.240 12.268 -1.445 1.00 0.00 N ATOM 831 CA LEU A 57 -1.078 11.709 -2.777 1.00 0.00 C ATOM 832 C LEU A 57 -1.920 12.486 -3.785 1.00 0.00 C ATOM 833 O LEU A 57 -3.151 12.458 -3.743 1.00 0.00 O ATOM 834 CB LEU A 57 -1.459 10.226 -2.790 1.00 0.00 C ATOM 835 CG LEU A 57 -1.064 9.471 -4.062 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.438 9.547 -4.281 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.514 8.021 -3.986 1.00 0.00 C ATOM 0 H LEU A 57 -2.201 12.505 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.029 11.795 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.991 9.738 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.537 10.141 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.563 9.943 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.701 9.005 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.739 10.590 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.953 9.101 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.224 7.502 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.044 7.539 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.598 7.982 -3.875 1.00 0.00 H new ATOM 849 N GLU A 58 -1.247 13.191 -4.683 1.00 0.00 N ATOM 850 CA GLU A 58 -1.924 14.015 -5.678 1.00 0.00 C ATOM 851 C GLU A 58 -2.509 13.151 -6.794 1.00 0.00 C ATOM 852 O GLU A 58 -2.293 11.939 -6.834 1.00 0.00 O ATOM 853 CB GLU A 58 -0.954 15.041 -6.267 1.00 0.00 C ATOM 854 CG GLU A 58 -0.267 15.905 -5.219 1.00 0.00 C ATOM 855 CD GLU A 58 -1.245 16.578 -4.278 1.00 0.00 C ATOM 856 OE1 GLU A 58 -1.908 17.550 -4.695 1.00 0.00 O ATOM 857 OE2 GLU A 58 -1.342 16.145 -3.112 1.00 0.00 O ATOM 0 H GLU A 58 -0.229 13.210 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.741 14.540 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.195 14.518 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.497 15.686 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.420 15.288 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.332 16.667 -5.719 1.00 0.00 H new ATOM 864 N SER A 59 -3.248 13.777 -7.698 1.00 0.00 N ATOM 865 CA SER A 59 -3.878 13.066 -8.799 1.00 0.00 C ATOM 866 C SER A 59 -2.831 12.524 -9.770 1.00 0.00 C ATOM 867 O SER A 59 -1.933 13.252 -10.192 1.00 0.00 O ATOM 868 CB SER A 59 -4.850 13.993 -9.524 1.00 0.00 C ATOM 869 OG SER A 59 -5.795 14.535 -8.616 1.00 0.00 O ATOM 0 H SER A 59 -3.426 14.781 -7.690 1.00 0.00 H new ATOM 0 HA SER A 59 -4.430 12.217 -8.394 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.299 14.799 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.367 13.443 -10.310 1.00 0.00 H new ATOM 0 HG SER A 59 -6.409 15.128 -9.098 1.00 0.00 H new ATOM 875 N GLU A 60 -2.946 11.230 -10.079 1.00 0.00 N ATOM 876 CA GLU A 60 -2.055 10.547 -11.020 1.00 0.00 C ATOM 877 C GLU A 60 -0.644 10.400 -10.438 1.00 0.00 C ATOM 878 O GLU A 60 0.289 9.997 -11.128 1.00 0.00 O ATOM 879 CB GLU A 60 -2.013 11.283 -12.369 1.00 0.00 C ATOM 880 CG GLU A 60 -1.302 10.510 -13.469 1.00 0.00 C ATOM 881 CD GLU A 60 -1.194 11.288 -14.759 1.00 0.00 C ATOM 882 OE1 GLU A 60 -0.265 12.116 -14.884 1.00 0.00 O ATOM 883 OE2 GLU A 60 -2.024 11.063 -15.661 1.00 0.00 O ATOM 0 H GLU A 60 -3.663 10.624 -9.681 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.454 9.547 -11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.033 11.495 -12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.515 12.243 -12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.302 10.240 -13.129 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.837 9.579 -13.656 1.00 0.00 H new ATOM 890 N ASN A 61 -0.494 10.696 -9.159 1.00 0.00 N ATOM 891 CA ASN A 61 0.802 10.555 -8.515 1.00 0.00 C ATOM 892 C ASN A 61 0.909 9.184 -7.865 1.00 0.00 C ATOM 893 O ASN A 61 -0.089 8.625 -7.403 1.00 0.00 O ATOM 894 CB ASN A 61 1.023 11.657 -7.469 1.00 0.00 C ATOM 895 CG ASN A 61 2.426 11.624 -6.882 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.372 11.194 -7.538 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.578 12.082 -5.647 1.00 0.00 N ATOM 0 H ASN A 61 -1.242 11.031 -8.552 1.00 0.00 H new ATOM 0 HA ASN A 61 1.576 10.654 -9.276 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.846 12.630 -7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.293 11.545 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.502 12.084 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.771 12.432 -5.130 1.00 0.00 H new ATOM 904 N SER A 62 2.110 8.633 -7.862 1.00 0.00 N ATOM 905 CA SER A 62 2.361 7.353 -7.231 1.00 0.00 C ATOM 906 C SER A 62 3.384 7.521 -6.117 1.00 0.00 C ATOM 907 O SER A 62 4.425 8.150 -6.312 1.00 0.00 O ATOM 908 CB SER A 62 2.876 6.346 -8.257 1.00 0.00 C ATOM 909 OG SER A 62 2.073 6.343 -9.422 1.00 0.00 O ATOM 0 H SER A 62 2.931 9.057 -8.293 1.00 0.00 H new ATOM 0 HA SER A 62 1.427 6.979 -6.812 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.905 6.588 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.887 5.349 -7.817 1.00 0.00 H new ATOM 0 HG SER A 62 2.427 5.690 -10.062 1.00 0.00 H new ATOM 915 N THR A 63 3.081 6.977 -4.952 1.00 0.00 N ATOM 916 CA THR A 63 3.987 7.054 -3.824 1.00 0.00 C ATOM 917 C THR A 63 4.493 5.664 -3.452 1.00 0.00 C ATOM 918 O THR A 63 3.744 4.682 -3.496 1.00 0.00 O ATOM 919 CB THR A 63 3.316 7.725 -2.600 1.00 0.00 C ATOM 920 OG1 THR A 63 4.250 7.833 -1.516 1.00 0.00 O ATOM 921 CG2 THR A 63 2.089 6.951 -2.139 1.00 0.00 C ATOM 0 H THR A 63 2.212 6.477 -4.764 1.00 0.00 H new ATOM 0 HA THR A 63 4.834 7.673 -4.122 1.00 0.00 H new ATOM 0 HB THR A 63 2.996 8.721 -2.908 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.814 8.260 -0.750 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.645 7.452 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.361 6.907 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.381 5.939 -1.859 1.00 0.00 H new ATOM 929 N ASN A 64 5.770 5.582 -3.119 1.00 0.00 N ATOM 930 CA ASN A 64 6.376 4.328 -2.706 1.00 0.00 C ATOM 931 C ASN A 64 6.307 4.186 -1.193 1.00 0.00 C ATOM 932 O ASN A 64 6.910 4.963 -0.450 1.00 0.00 O ATOM 933 CB ASN A 64 7.827 4.240 -3.188 1.00 0.00 C ATOM 934 CG ASN A 64 7.929 4.021 -4.687 1.00 0.00 C ATOM 935 OD1 ASN A 64 7.934 4.968 -5.470 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.027 2.766 -5.099 1.00 0.00 N ATOM 0 H ASN A 64 6.411 6.375 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 64 5.819 3.509 -3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.351 5.158 -2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.330 3.424 -2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.110 2.561 -6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.019 2.004 -4.421 1.00 0.00 H new ATOM 943 N VAL A 65 5.540 3.206 -0.749 1.00 0.00 N ATOM 944 CA VAL A 65 5.362 2.945 0.667 1.00 0.00 C ATOM 945 C VAL A 65 6.318 1.848 1.107 1.00 0.00 C ATOM 946 O VAL A 65 6.300 0.752 0.556 1.00 0.00 O ATOM 947 CB VAL A 65 3.918 2.501 0.973 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.648 2.528 2.466 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.918 3.365 0.223 1.00 0.00 C ATOM 0 H VAL A 65 5.025 2.571 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 65 5.568 3.868 1.210 1.00 0.00 H new ATOM 0 HB VAL A 65 3.800 1.473 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.623 2.211 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.337 1.852 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.790 3.541 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.906 3.034 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.037 4.405 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.093 3.277 -0.849 1.00 0.00 H new ATOM 959 N ASP A 66 7.150 2.145 2.088 1.00 0.00 N ATOM 960 CA ASP A 66 8.162 1.196 2.532 1.00 0.00 C ATOM 961 C ASP A 66 7.852 0.689 3.934 1.00 0.00 C ATOM 962 O ASP A 66 7.979 1.422 4.917 1.00 0.00 O ATOM 963 CB ASP A 66 9.553 1.832 2.489 1.00 0.00 C ATOM 964 CG ASP A 66 10.078 2.003 1.075 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.493 0.996 0.462 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.090 3.149 0.577 1.00 0.00 O ATOM 0 H ASP A 66 7.148 3.031 2.593 1.00 0.00 H new ATOM 0 HA ASP A 66 8.150 0.345 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.518 2.805 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.248 1.214 3.057 1.00 0.00 H new ATOM 971 N PHE A 67 7.460 -0.576 4.017 1.00 0.00 N ATOM 972 CA PHE A 67 7.045 -1.176 5.279 1.00 0.00 C ATOM 973 C PHE A 67 8.217 -1.834 5.992 1.00 0.00 C ATOM 974 O PHE A 67 9.259 -2.094 5.397 1.00 0.00 O ATOM 975 CB PHE A 67 5.968 -2.237 5.046 1.00 0.00 C ATOM 976 CG PHE A 67 4.763 -1.749 4.304 1.00 0.00 C ATOM 977 CD1 PHE A 67 3.882 -0.853 4.889 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.503 -2.201 3.021 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.766 -0.419 4.205 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.388 -1.771 2.333 1.00 0.00 C ATOM 981 CZ PHE A 67 2.518 -0.879 2.927 1.00 0.00 C ATOM 0 H PHE A 67 7.421 -1.210 3.219 1.00 0.00 H new ATOM 0 HA PHE A 67 6.650 -0.371 5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.408 -3.067 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.649 -2.631 6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.071 -0.492 5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.182 -2.899 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.086 0.280 4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.196 -2.131 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.643 -0.541 2.392 1.00 0.00 H new ATOM 991 N HIS A 68 8.026 -2.110 7.271 1.00 0.00 N ATOM 992 CA HIS A 68 9.032 -2.778 8.081 1.00 0.00 C ATOM 993 C HIS A 68 8.536 -4.171 8.455 1.00 0.00 C ATOM 994 O HIS A 68 7.816 -4.340 9.438 1.00 0.00 O ATOM 995 CB HIS A 68 9.320 -1.970 9.356 1.00 0.00 C ATOM 996 CG HIS A 68 9.546 -0.504 9.119 1.00 0.00 C ATOM 997 ND1 HIS A 68 8.520 0.383 8.875 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.683 0.229 9.098 1.00 0.00 C ATOM 999 CE1 HIS A 68 9.014 1.594 8.715 1.00 0.00 C ATOM 1000 NE2 HIS A 68 10.326 1.532 8.847 1.00 0.00 N ATOM 0 H HIS A 68 7.171 -1.878 7.777 1.00 0.00 H new ATOM 0 HA HIS A 68 9.954 -2.858 7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.484 -2.090 10.045 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.200 -2.387 9.846 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.531 0.140 8.826 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.686 -0.142 9.250 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.442 2.487 8.510 1.00 0.00 H new ATOM 1009 N TRP A 69 8.900 -5.162 7.657 1.00 0.00 N ATOM 1010 CA TRP A 69 8.432 -6.520 7.880 1.00 0.00 C ATOM 1011 C TRP A 69 9.591 -7.432 8.270 1.00 0.00 C ATOM 1012 O TRP A 69 10.467 -7.722 7.463 1.00 0.00 O ATOM 1013 CB TRP A 69 7.708 -7.048 6.630 1.00 0.00 C ATOM 1014 CG TRP A 69 7.343 -8.505 6.706 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.068 -9.229 7.831 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.208 -9.412 5.604 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.803 -10.534 7.500 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.875 -10.672 6.139 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.342 -9.286 4.217 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.682 -11.793 5.335 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.146 -10.399 3.425 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.820 -11.637 3.984 1.00 0.00 C ATOM 0 H TRP A 69 9.516 -5.052 6.852 1.00 0.00 H new ATOM 0 HA TRP A 69 7.721 -6.512 8.706 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.801 -6.464 6.474 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.344 -6.888 5.759 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.060 -8.832 8.835 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.587 -11.281 8.161 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.594 -8.334 3.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.432 -12.752 5.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.247 -10.311 2.353 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.674 -12.488 3.336 1.00 0.00 H new ATOM 1033 N THR A 70 9.592 -7.864 9.520 1.00 0.00 N ATOM 1034 CA THR A 70 10.598 -8.791 10.008 1.00 0.00 C ATOM 1035 C THR A 70 10.226 -10.218 9.612 1.00 0.00 C ATOM 1036 O THR A 70 9.223 -10.760 10.086 1.00 0.00 O ATOM 1037 CB THR A 70 10.736 -8.695 11.539 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.894 -7.322 11.922 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.928 -9.502 12.032 1.00 0.00 C ATOM 0 H THR A 70 8.903 -7.585 10.218 1.00 0.00 H new ATOM 0 HA THR A 70 11.555 -8.527 9.558 1.00 0.00 H new ATOM 0 HB THR A 70 9.833 -9.105 11.992 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.980 -7.262 12.896 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.002 -9.417 13.116 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.797 -10.549 11.759 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.841 -9.119 11.575 1.00 0.00 H new ATOM 1047 N LEU A 71 11.017 -10.811 8.725 1.00 0.00 N ATOM 1048 CA LEU A 71 10.731 -12.148 8.228 1.00 0.00 C ATOM 1049 C LEU A 71 10.982 -13.205 9.294 1.00 0.00 C ATOM 1050 O LEU A 71 12.101 -13.357 9.790 1.00 0.00 O ATOM 1051 CB LEU A 71 11.575 -12.461 6.991 1.00 0.00 C ATOM 1052 CG LEU A 71 10.779 -12.773 5.719 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.813 -13.921 5.946 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.043 -11.540 5.243 1.00 0.00 C ATOM 0 H LEU A 71 11.859 -10.386 8.337 1.00 0.00 H new ATOM 0 HA LEU A 71 9.675 -12.171 7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.228 -11.611 6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.218 -13.312 7.216 1.00 0.00 H new ATOM 0 HG LEU A 71 11.482 -13.078 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.262 -14.120 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.369 -14.812 6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.113 -13.656 6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.482 -11.777 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.355 -11.205 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.761 -10.748 5.028 1.00 0.00 H new ATOM 1066 N ASP A 72 9.932 -13.930 9.637 1.00 0.00 N ATOM 1067 CA ASP A 72 10.033 -15.045 10.565 1.00 0.00 C ATOM 1068 C ASP A 72 10.487 -16.294 9.817 1.00 0.00 C ATOM 1069 O ASP A 72 11.206 -17.130 10.356 1.00 0.00 O ATOM 1070 CB ASP A 72 8.687 -15.289 11.263 1.00 0.00 C ATOM 1071 CG ASP A 72 7.569 -15.660 10.302 1.00 0.00 C ATOM 1072 OD1 ASP A 72 7.595 -15.205 9.138 1.00 0.00 O ATOM 1073 OD2 ASP A 72 6.663 -16.414 10.707 1.00 0.00 O ATOM 0 H ASP A 72 8.990 -13.765 9.283 1.00 0.00 H new ATOM 0 HA ASP A 72 10.770 -14.805 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.805 -16.086 11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.402 -14.391 11.811 1.00 0.00 H new ATOM 1078 N GLY A 73 10.059 -16.402 8.565 1.00 0.00 N ATOM 1079 CA GLY A 73 10.507 -17.482 7.710 1.00 0.00 C ATOM 1080 C GLY A 73 9.819 -18.795 8.012 1.00 0.00 C ATOM 1081 O GLY A 73 10.398 -19.863 7.815 1.00 0.00 O ATOM 0 H GLY A 73 9.405 -15.755 8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.326 -17.214 6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.584 -17.607 7.825 1.00 0.00 H new ATOM 1085 N THR A 74 8.588 -18.719 8.490 1.00 0.00 N ATOM 1086 CA THR A 74 7.829 -19.915 8.811 1.00 0.00 C ATOM 1087 C THR A 74 7.230 -20.522 7.548 1.00 0.00 C ATOM 1088 O THR A 74 7.408 -21.708 7.268 1.00 0.00 O ATOM 1089 CB THR A 74 6.714 -19.603 9.825 1.00 0.00 C ATOM 1090 OG1 THR A 74 7.273 -18.904 10.948 1.00 0.00 O ATOM 1091 CG2 THR A 74 6.034 -20.877 10.305 1.00 0.00 C ATOM 0 H THR A 74 8.094 -17.844 8.664 1.00 0.00 H new ATOM 0 HA THR A 74 8.512 -20.636 9.260 1.00 0.00 H new ATOM 0 HB THR A 74 5.965 -18.982 9.333 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.760 -18.085 11.112 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.251 -20.624 11.020 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.594 -21.397 9.454 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.769 -21.523 10.785 1.00 0.00 H new ATOM 1099 N ALA A 75 6.545 -19.694 6.779 1.00 0.00 N ATOM 1100 CA ALA A 75 5.932 -20.134 5.540 1.00 0.00 C ATOM 1101 C ALA A 75 6.722 -19.616 4.347 1.00 0.00 C ATOM 1102 O ALA A 75 7.320 -18.542 4.410 1.00 0.00 O ATOM 1103 CB ALA A 75 4.487 -19.664 5.471 1.00 0.00 C ATOM 0 H ALA A 75 6.399 -18.707 6.993 1.00 0.00 H new ATOM 0 HA ALA A 75 5.941 -21.224 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.039 -20.001 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.929 -20.078 6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.456 -18.575 5.516 1.00 0.00 H new ATOM 1109 N ASN A 76 6.732 -20.383 3.266 1.00 0.00 N ATOM 1110 CA ASN A 76 7.458 -19.988 2.062 1.00 0.00 C ATOM 1111 C ASN A 76 6.595 -19.104 1.174 1.00 0.00 C ATOM 1112 O ASN A 76 7.078 -18.529 0.199 1.00 0.00 O ATOM 1113 CB ASN A 76 7.931 -21.212 1.274 1.00 0.00 C ATOM 1114 CG ASN A 76 9.059 -21.957 1.963 1.00 0.00 C ATOM 1115 OD1 ASN A 76 10.237 -21.655 1.757 1.00 0.00 O ATOM 1116 ND2 ASN A 76 8.709 -22.934 2.783 1.00 0.00 N ATOM 0 H ASN A 76 6.249 -21.279 3.195 1.00 0.00 H new ATOM 0 HA ASN A 76 8.333 -19.421 2.380 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.091 -21.890 1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.262 -20.896 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.425 -23.470 3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.723 -23.152 2.925 1.00 0.00 H new ATOM 1123 N SER A 77 5.322 -18.997 1.515 1.00 0.00 N ATOM 1124 CA SER A 77 4.396 -18.174 0.759 1.00 0.00 C ATOM 1125 C SER A 77 3.498 -17.391 1.708 1.00 0.00 C ATOM 1126 O SER A 77 2.778 -17.974 2.521 1.00 0.00 O ATOM 1127 CB SER A 77 3.554 -19.049 -0.180 1.00 0.00 C ATOM 1128 OG SER A 77 2.737 -18.260 -1.033 1.00 0.00 O ATOM 0 H SER A 77 4.905 -19.473 2.315 1.00 0.00 H new ATOM 0 HA SER A 77 4.964 -17.467 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.212 -19.676 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.927 -19.718 0.409 1.00 0.00 H new ATOM 0 HG SER A 77 2.215 -18.846 -1.620 1.00 0.00 H new ATOM 1134 N TYR A 78 3.566 -16.071 1.621 1.00 0.00 N ATOM 1135 CA TYR A 78 2.732 -15.212 2.446 1.00 0.00 C ATOM 1136 C TYR A 78 1.782 -14.391 1.589 1.00 0.00 C ATOM 1137 O TYR A 78 2.090 -14.052 0.443 1.00 0.00 O ATOM 1138 CB TYR A 78 3.586 -14.278 3.303 1.00 0.00 C ATOM 1139 CG TYR A 78 4.306 -14.971 4.434 1.00 0.00 C ATOM 1140 CD1 TYR A 78 3.596 -15.593 5.452 1.00 0.00 C ATOM 1141 CD2 TYR A 78 5.692 -14.997 4.490 1.00 0.00 C ATOM 1142 CE1 TYR A 78 4.247 -16.222 6.493 1.00 0.00 C ATOM 1143 CE2 TYR A 78 6.352 -15.624 5.530 1.00 0.00 C ATOM 1144 CZ TYR A 78 5.623 -16.235 6.530 1.00 0.00 C ATOM 1145 OH TYR A 78 6.272 -16.867 7.567 1.00 0.00 O ATOM 0 H TYR A 78 4.190 -15.572 0.987 1.00 0.00 H new ATOM 0 HA TYR A 78 2.148 -15.857 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.321 -13.786 2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.949 -13.496 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.516 -15.584 5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.264 -14.520 3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.679 -16.702 7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.432 -15.636 5.560 1.00 0.00 H new ATOM 0 HH TYR A 78 6.970 -16.278 7.923 1.00 0.00 H new ATOM 1155 N THR A 79 0.634 -14.068 2.154 1.00 0.00 N ATOM 1156 CA THR A 79 -0.362 -13.276 1.463 1.00 0.00 C ATOM 1157 C THR A 79 -0.309 -11.836 1.947 1.00 0.00 C ATOM 1158 O THR A 79 -0.974 -11.467 2.917 1.00 0.00 O ATOM 1159 CB THR A 79 -1.777 -13.843 1.682 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.789 -15.244 1.369 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.796 -13.113 0.818 1.00 0.00 C ATOM 0 H THR A 79 0.368 -14.346 3.099 1.00 0.00 H new ATOM 0 HA THR A 79 -0.139 -13.313 0.397 1.00 0.00 H new ATOM 0 HB THR A 79 -2.049 -13.698 2.728 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.690 -15.603 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.787 -13.532 0.991 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.800 -12.054 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.532 -13.229 -0.233 1.00 0.00 H new ATOM 1169 N LEU A 80 0.507 -11.033 1.287 1.00 0.00 N ATOM 1170 CA LEU A 80 0.673 -9.647 1.672 1.00 0.00 C ATOM 1171 C LEU A 80 -0.366 -8.778 0.989 1.00 0.00 C ATOM 1172 O LEU A 80 -0.381 -8.635 -0.233 1.00 0.00 O ATOM 1173 CB LEU A 80 2.086 -9.158 1.351 1.00 0.00 C ATOM 1174 CG LEU A 80 3.101 -9.312 2.490 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.228 -10.763 2.932 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.452 -8.766 2.062 1.00 0.00 C ATOM 0 H LEU A 80 1.064 -11.319 0.482 1.00 0.00 H new ATOM 0 HA LEU A 80 0.528 -9.572 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.454 -9.703 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.035 -8.106 1.070 1.00 0.00 H new ATOM 0 HG LEU A 80 2.739 -8.739 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.956 -10.835 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.260 -11.123 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.559 -11.372 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.166 -8.880 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.807 -9.315 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.354 -7.710 1.810 1.00 0.00 H new ATOM 1188 N THR A 81 -1.245 -8.215 1.791 1.00 0.00 N ATOM 1189 CA THR A 81 -2.323 -7.397 1.286 1.00 0.00 C ATOM 1190 C THR A 81 -2.117 -5.944 1.685 1.00 0.00 C ATOM 1191 O THR A 81 -2.014 -5.626 2.868 1.00 0.00 O ATOM 1192 CB THR A 81 -3.684 -7.889 1.815 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.824 -9.295 1.563 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.830 -7.136 1.153 1.00 0.00 C ATOM 0 H THR A 81 -1.231 -8.312 2.806 1.00 0.00 H new ATOM 0 HA THR A 81 -2.321 -7.476 0.199 1.00 0.00 H new ATOM 0 HB THR A 81 -3.721 -7.702 2.888 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.690 -9.604 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.780 -7.502 1.544 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.736 -6.071 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.795 -7.295 0.075 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.028 -5.077 0.696 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.909 -3.653 0.946 1.00 0.00 C ATOM 1204 C VAL A 82 -3.293 -3.037 1.021 1.00 0.00 C ATOM 1205 O VAL A 82 -3.956 -2.864 -0.002 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.088 -2.944 -0.153 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.947 -1.459 0.149 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.280 -3.591 -0.303 1.00 0.00 C ATOM 0 H VAL A 82 -2.036 -5.334 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.384 -3.521 1.892 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.623 -3.050 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.365 -0.981 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.935 -1.002 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.439 -1.329 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.842 -3.077 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.821 -3.521 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.159 -4.639 -0.575 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.748 -2.751 2.233 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.047 -2.123 2.413 1.00 0.00 C ATOM 1220 C ASN A 83 -4.872 -0.622 2.546 1.00 0.00 C ATOM 1221 O ASN A 83 -4.278 -0.138 3.514 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.767 -2.669 3.646 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.235 -2.270 3.681 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.102 -3.020 3.236 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.522 -1.086 4.198 1.00 0.00 N ATOM 0 H ASN A 83 -3.242 -2.942 3.098 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.657 -2.350 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.688 -3.756 3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.272 -2.303 4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.490 -0.768 4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.775 -0.492 4.557 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.380 0.106 1.573 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.254 1.548 1.561 1.00 0.00 C ATOM 1234 C VAL A 84 -6.300 2.199 2.461 1.00 0.00 C ATOM 1235 O VAL A 84 -7.482 2.253 2.125 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.353 2.107 0.129 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.318 3.626 0.147 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.220 1.556 -0.725 1.00 0.00 C ATOM 0 H VAL A 84 -5.887 -0.280 0.776 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.266 1.792 1.952 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.302 1.793 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.389 4.004 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.157 4.002 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.383 3.963 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.298 1.957 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.263 1.848 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.286 0.469 -0.760 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.824 2.643 3.619 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.612 3.352 4.630 1.00 0.00 C ATOM 1250 C ASP A 85 -7.872 2.595 5.039 1.00 0.00 C ATOM 1251 O ASP A 85 -8.940 2.756 4.454 1.00 0.00 O ATOM 1252 CB ASP A 85 -6.959 4.771 4.185 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.247 5.664 5.374 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -6.285 6.219 5.947 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.423 5.794 5.756 1.00 0.00 O ATOM 0 H ASP A 85 -4.849 2.517 3.892 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.975 3.415 5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.133 5.186 3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.828 4.746 3.527 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.751 1.758 6.079 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.871 0.998 6.633 1.00 0.00 C ATOM 1262 C PRO A 86 -9.748 1.856 7.544 1.00 0.00 C ATOM 1263 O PRO A 86 -10.547 1.339 8.327 1.00 0.00 O ATOM 1264 CB PRO A 86 -8.188 -0.116 7.451 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.712 0.065 7.259 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.509 1.478 6.797 1.00 0.00 C ATOM 0 HA PRO A 86 -9.534 0.624 5.853 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.455 -0.043 8.505 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.507 -1.101 7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.175 -0.119 8.189 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.328 -0.642 6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.361 2.161 7.633 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.637 1.572 6.150 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.589 3.167 7.434 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.318 4.102 8.272 1.00 0.00 C ATOM 1276 C GLU A 87 -11.243 4.968 7.418 1.00 0.00 C ATOM 1277 O GLU A 87 -12.179 5.586 7.927 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.322 4.969 9.050 1.00 0.00 C ATOM 1279 CG GLU A 87 -9.952 5.843 10.120 1.00 0.00 C ATOM 1280 CD GLU A 87 -8.918 6.591 10.933 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -8.404 6.021 11.922 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -8.605 7.745 10.589 1.00 0.00 O ATOM 0 H GLU A 87 -8.956 3.608 6.767 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.935 3.551 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.582 4.320 9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.787 5.606 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.628 6.558 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.554 5.223 10.784 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.974 4.985 6.112 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.732 5.793 5.159 1.00 0.00 C ATOM 1291 C ASN A 88 -11.577 7.274 5.471 1.00 0.00 C ATOM 1292 O ASN A 88 -12.563 8.014 5.554 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.215 5.404 5.146 1.00 0.00 C ATOM 1294 CG ASN A 88 -13.479 4.075 4.459 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.345 3.311 4.886 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -12.766 3.800 3.375 1.00 0.00 N ATOM 0 H ASN A 88 -10.225 4.439 5.686 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.326 5.598 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.580 5.354 6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.785 6.185 4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.927 2.931 2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.057 4.457 3.051 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.334 7.701 5.656 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.031 9.113 5.845 1.00 0.00 C ATOM 1305 C ALA A 89 -10.335 9.880 4.566 1.00 0.00 C ATOM 1306 O ALA A 89 -10.746 11.040 4.596 1.00 0.00 O ATOM 1307 CB ALA A 89 -8.575 9.298 6.248 1.00 0.00 C ATOM 0 H ALA A 89 -9.519 7.088 5.679 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.656 9.505 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.367 10.359 6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.386 8.768 7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.928 8.899 5.467 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.132 9.209 3.443 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.484 9.748 2.142 1.00 0.00 C ATOM 1315 C VAL A 90 -11.715 8.995 1.634 1.00 0.00 C ATOM 1316 O VAL A 90 -12.128 8.007 2.240 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.309 9.604 1.137 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.511 10.487 -0.085 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.981 9.925 1.809 1.00 0.00 C ATOM 0 H VAL A 90 -9.719 8.277 3.409 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.700 10.812 2.234 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.289 8.567 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.670 10.362 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.434 10.203 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.573 11.530 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.172 9.818 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.000 10.949 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.818 9.239 2.640 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.334 9.469 0.567 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.455 8.749 -0.020 1.00 0.00 C ATOM 1331 C ASN A 91 -13.007 8.089 -1.316 1.00 0.00 C ATOM 1332 O ASN A 91 -13.009 8.715 -2.375 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.642 9.683 -0.269 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.910 8.926 -0.623 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.099 7.779 -0.214 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.796 9.565 -1.370 1.00 0.00 N ATOM 0 H ASN A 91 -12.085 10.337 0.093 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.786 7.981 0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.819 10.286 0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.396 10.372 -1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.671 9.108 -1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.604 10.514 -1.690 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.588 6.834 -1.214 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.001 6.128 -2.344 1.00 0.00 C ATOM 1345 C GLU A 92 -13.060 5.676 -3.339 1.00 0.00 C ATOM 1346 O GLU A 92 -14.214 5.435 -2.980 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.201 4.900 -1.888 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.068 5.198 -0.916 1.00 0.00 C ATOM 1349 CD GLU A 92 -10.550 5.359 0.510 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -11.359 4.517 0.963 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -10.132 6.326 1.172 1.00 0.00 O ATOM 0 H GLU A 92 -12.644 6.283 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.331 6.837 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.885 4.192 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.786 4.408 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.336 4.391 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.557 6.109 -1.228 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.647 5.618 -4.599 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.444 5.032 -5.658 1.00 0.00 C ATOM 1360 C GLY A 93 -13.829 3.583 -5.396 1.00 0.00 C ATOM 1361 O GLY A 93 -14.789 3.295 -4.684 1.00 0.00 O ATOM 0 H GLY A 93 -11.746 5.979 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.351 5.623 -5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.888 5.089 -6.594 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.108 2.671 -6.030 1.00 0.00 N ATOM 1366 CA ASN A 94 -13.446 1.252 -5.976 1.00 0.00 C ATOM 1367 C ASN A 94 -12.862 0.590 -4.736 1.00 0.00 C ATOM 1368 O ASN A 94 -11.671 0.722 -4.458 1.00 0.00 O ATOM 1369 CB ASN A 94 -12.925 0.532 -7.220 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.301 1.236 -8.506 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -14.377 1.012 -9.060 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -12.415 2.090 -8.990 1.00 0.00 N ATOM 0 H ASN A 94 -12.283 2.886 -6.590 1.00 0.00 H new ATOM 0 HA ASN A 94 -14.533 1.177 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.840 0.451 -7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -13.320 -0.484 -7.238 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.612 2.593 -9.855 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.535 2.246 -8.498 1.00 0.00 H new ATOM 1379 N GLU A 95 -13.699 -0.148 -4.015 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.261 -0.878 -2.828 1.00 0.00 C ATOM 1381 C GLU A 95 -12.250 -1.952 -3.205 1.00 0.00 C ATOM 1382 O GLU A 95 -11.350 -2.276 -2.432 1.00 0.00 O ATOM 1383 CB GLU A 95 -14.451 -1.528 -2.127 1.00 0.00 C ATOM 1384 CG GLU A 95 -15.525 -0.546 -1.701 1.00 0.00 C ATOM 1385 CD GLU A 95 -16.629 -1.219 -0.918 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -16.503 -1.318 0.317 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -17.622 -1.663 -1.535 1.00 0.00 O ATOM 0 H GLU A 95 -14.690 -0.258 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.792 -0.165 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -14.893 -2.268 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.094 -2.064 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.077 0.240 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.947 -0.065 -2.583 1.00 0.00 H new ATOM 1394 N SER A 96 -12.412 -2.503 -4.402 1.00 0.00 N ATOM 1395 CA SER A 96 -11.486 -3.497 -4.930 1.00 0.00 C ATOM 1396 C SER A 96 -10.073 -2.926 -5.025 1.00 0.00 C ATOM 1397 O SER A 96 -9.085 -3.647 -4.882 1.00 0.00 O ATOM 1398 CB SER A 96 -11.958 -3.955 -6.309 1.00 0.00 C ATOM 1399 OG SER A 96 -13.268 -4.495 -6.239 1.00 0.00 O ATOM 0 H SER A 96 -13.183 -2.275 -5.030 1.00 0.00 H new ATOM 0 HA SER A 96 -11.465 -4.349 -4.251 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.943 -3.113 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.271 -4.704 -6.703 1.00 0.00 H new ATOM 0 HG SER A 96 -13.552 -4.781 -7.132 1.00 0.00 H new ATOM 1405 N ASN A 97 -9.996 -1.619 -5.227 1.00 0.00 N ATOM 1406 CA ASN A 97 -8.727 -0.940 -5.438 1.00 0.00 C ATOM 1407 C ASN A 97 -8.068 -0.595 -4.110 1.00 0.00 C ATOM 1408 O ASN A 97 -6.886 -0.271 -4.063 1.00 0.00 O ATOM 1409 CB ASN A 97 -8.948 0.321 -6.281 1.00 0.00 C ATOM 1410 CG ASN A 97 -9.338 -0.004 -7.713 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -9.849 -1.090 -8.002 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -9.151 0.943 -8.615 1.00 0.00 N ATOM 0 H ASN A 97 -10.808 -1.002 -5.249 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.056 -1.610 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.728 0.929 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.037 0.919 -6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.432 0.788 -9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.726 1.829 -8.343 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.829 -0.698 -3.023 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.298 -0.431 -1.687 1.00 0.00 C ATOM 1421 C ASN A 98 -7.390 -1.561 -1.225 1.00 0.00 C ATOM 1422 O ASN A 98 -6.700 -1.436 -0.216 1.00 0.00 O ATOM 1423 CB ASN A 98 -9.428 -0.259 -0.661 1.00 0.00 C ATOM 1424 CG ASN A 98 -10.132 1.082 -0.750 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -11.091 1.246 -1.499 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.678 2.044 0.042 1.00 0.00 N ATOM 0 H ASN A 98 -9.814 -0.964 -3.040 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.727 0.495 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.160 -1.054 -0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.018 -0.379 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.129 2.959 0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.878 1.869 0.650 1.00 0.00 H new ATOM 1433 N THR A 99 -7.392 -2.666 -1.958 1.00 0.00 N ATOM 1434 CA THR A 99 -6.669 -3.853 -1.534 1.00 0.00 C ATOM 1435 C THR A 99 -5.791 -4.431 -2.637 1.00 0.00 C ATOM 1436 O THR A 99 -6.264 -4.717 -3.738 1.00 0.00 O ATOM 1437 CB THR A 99 -7.647 -4.942 -1.059 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.790 -4.987 -1.930 1.00 0.00 O ATOM 1439 CG2 THR A 99 -8.091 -4.685 0.372 1.00 0.00 C ATOM 0 H THR A 99 -7.885 -2.763 -2.846 1.00 0.00 H new ATOM 0 HA THR A 99 -6.023 -3.540 -0.714 1.00 0.00 H new ATOM 0 HB THR A 99 -7.134 -5.903 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.408 -5.683 -1.623 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.782 -5.468 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.221 -4.685 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.589 -3.717 0.430 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.510 -4.592 -2.336 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.606 -5.328 -3.207 1.00 0.00 C ATOM 1449 C LEU A 100 -3.241 -6.654 -2.569 1.00 0.00 C ATOM 1450 O LEU A 100 -2.433 -6.704 -1.642 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.326 -4.541 -3.492 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.235 -5.317 -4.238 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -1.677 -5.655 -5.651 1.00 0.00 C ATOM 1454 CD2 LEU A 100 0.059 -4.524 -4.263 1.00 0.00 C ATOM 0 H LEU A 100 -4.073 -4.221 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.124 -5.493 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.584 -3.657 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.916 -4.189 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.061 -6.251 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.885 -6.205 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.578 -6.268 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.886 -4.735 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.822 -5.090 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.107 -3.573 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.392 -4.339 -3.242 1.00 0.00 H new ATOM 1466 N THR A 101 -3.858 -7.715 -3.041 1.00 0.00 N ATOM 1467 CA THR A 101 -3.524 -9.048 -2.587 1.00 0.00 C ATOM 1468 C THR A 101 -2.342 -9.577 -3.391 1.00 0.00 C ATOM 1469 O THR A 101 -2.508 -10.082 -4.504 1.00 0.00 O ATOM 1470 CB THR A 101 -4.725 -10.001 -2.726 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.887 -9.402 -2.134 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.441 -11.336 -2.054 1.00 0.00 C ATOM 0 H THR A 101 -4.598 -7.680 -3.743 1.00 0.00 H new ATOM 0 HA THR A 101 -3.257 -8.997 -1.531 1.00 0.00 H new ATOM 0 HB THR A 101 -4.901 -10.179 -3.787 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.651 -10.009 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.305 -11.991 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.571 -11.800 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.243 -11.175 -0.994 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.149 -9.414 -2.843 1.00 0.00 N ATOM 1481 CA ALA A 102 0.062 -9.829 -3.522 1.00 0.00 C ATOM 1482 C ALA A 102 0.696 -11.012 -2.810 1.00 0.00 C ATOM 1483 O ALA A 102 1.043 -10.930 -1.631 1.00 0.00 O ATOM 1484 CB ALA A 102 1.043 -8.669 -3.611 1.00 0.00 C ATOM 0 H ALA A 102 -0.996 -8.995 -1.926 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.198 -10.140 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.948 -8.996 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.588 -7.849 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.297 -8.330 -2.607 1.00 0.00 H new ATOM 1490 N LEU A 103 0.822 -12.118 -3.520 1.00 0.00 N ATOM 1491 CA LEU A 103 1.471 -13.289 -2.968 1.00 0.00 C ATOM 1492 C LEU A 103 2.973 -13.167 -3.097 1.00 0.00 C ATOM 1493 O LEU A 103 3.522 -13.134 -4.200 1.00 0.00 O ATOM 1494 CB LEU A 103 0.990 -14.566 -3.648 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.421 -14.999 -3.267 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.777 -16.293 -3.971 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.538 -15.161 -1.760 1.00 0.00 C ATOM 0 H LEU A 103 0.484 -12.228 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 103 1.206 -13.349 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.033 -14.424 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.681 -15.373 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.122 -14.227 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.787 -16.593 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.727 -16.146 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.073 -17.072 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.552 -15.470 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.169 -15.918 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.315 -14.211 -1.274 1.00 0.00 H new ATOM 1509 N VAL A 104 3.629 -13.091 -1.963 1.00 0.00 N ATOM 1510 CA VAL A 104 5.073 -12.995 -1.934 1.00 0.00 C ATOM 1511 C VAL A 104 5.654 -14.308 -1.439 1.00 0.00 C ATOM 1512 O VAL A 104 5.099 -14.945 -0.537 1.00 0.00 O ATOM 1513 CB VAL A 104 5.580 -11.821 -1.058 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.027 -10.493 -1.550 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.226 -12.022 0.403 1.00 0.00 C ATOM 0 H VAL A 104 3.186 -13.094 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 104 5.409 -12.792 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 104 6.666 -11.802 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.399 -9.687 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.347 -10.324 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.938 -10.514 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.597 -11.180 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.143 -12.088 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.683 -12.943 0.765 1.00 0.00 H new ATOM 1525 N GLY A 105 6.742 -14.729 -2.045 1.00 0.00 N ATOM 1526 CA GLY A 105 7.342 -15.980 -1.667 1.00 0.00 C ATOM 1527 C GLY A 105 8.720 -15.773 -1.109 1.00 0.00 C ATOM 1528 O GLY A 105 9.290 -14.694 -1.252 1.00 0.00 O ATOM 0 H GLY A 105 7.222 -14.227 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.717 -16.477 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.393 -16.639 -2.534 1.00 0.00 H new ATOM 1532 N THR A 106 9.256 -16.780 -0.460 1.00 0.00 N ATOM 1533 CA THR A 106 10.613 -16.706 0.023 1.00 0.00 C ATOM 1534 C THR A 106 11.578 -16.801 -1.154 1.00 0.00 C ATOM 1535 O THR A 106 11.359 -17.586 -2.081 1.00 0.00 O ATOM 1536 CB THR A 106 10.900 -17.815 1.050 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.502 -19.088 0.526 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.158 -17.542 2.351 1.00 0.00 C ATOM 0 H THR A 106 8.775 -17.656 -0.255 1.00 0.00 H new ATOM 0 HA THR A 106 10.752 -15.749 0.526 1.00 0.00 H new ATOM 0 HB THR A 106 11.971 -17.828 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.511 -19.755 1.244 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.373 -18.336 3.066 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.484 -16.586 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.086 -17.507 2.158 1.00 0.00 H new ATOM 1546 N LEU A 107 12.611 -15.969 -1.140 1.00 0.00 N ATOM 1547 CA LEU A 107 13.573 -15.931 -2.231 1.00 0.00 C ATOM 1548 C LEU A 107 14.234 -17.290 -2.409 1.00 0.00 C ATOM 1549 O LEU A 107 14.432 -18.031 -1.441 1.00 0.00 O ATOM 1550 CB LEU A 107 14.633 -14.850 -1.984 1.00 0.00 C ATOM 1551 CG LEU A 107 15.662 -14.682 -3.108 1.00 0.00 C ATOM 1552 CD1 LEU A 107 14.973 -14.345 -4.419 1.00 0.00 C ATOM 1553 CD2 LEU A 107 16.675 -13.606 -2.752 1.00 0.00 C ATOM 0 H LEU A 107 12.803 -15.311 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 107 13.037 -15.683 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.128 -13.896 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.162 -15.085 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 107 16.191 -15.628 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.721 -14.230 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.287 -15.149 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.416 -13.414 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.396 -13.503 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.160 -12.657 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.196 -13.886 -1.836 1.00 0.00 H new ATOM 1565 N GLU A 108 14.565 -17.610 -3.654 1.00 0.00 N ATOM 1566 CA GLU A 108 15.172 -18.886 -3.985 1.00 0.00 C ATOM 1567 C GLU A 108 16.473 -19.085 -3.227 1.00 0.00 C ATOM 1568 O GLU A 108 16.821 -20.210 -2.873 1.00 0.00 O ATOM 1569 CB GLU A 108 15.443 -18.985 -5.483 1.00 0.00 C ATOM 1570 CG GLU A 108 14.204 -18.847 -6.342 1.00 0.00 C ATOM 1571 CD GLU A 108 14.467 -19.232 -7.778 1.00 0.00 C ATOM 1572 OE1 GLU A 108 14.402 -20.440 -8.087 1.00 0.00 O ATOM 1573 OE2 GLU A 108 14.744 -18.340 -8.599 1.00 0.00 O ATOM 0 H GLU A 108 14.420 -16.995 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 108 14.469 -19.666 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 108 16.156 -18.211 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.914 -19.945 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.410 -19.475 -5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.848 -17.818 -6.302 1.00 0.00 H new ATOM 1580 N HIS A 109 17.198 -17.983 -3.004 1.00 0.00 N ATOM 1581 CA HIS A 109 18.476 -18.026 -2.297 1.00 0.00 C ATOM 1582 C HIS A 109 19.514 -18.733 -3.175 1.00 0.00 C ATOM 1583 O HIS A 109 20.604 -19.093 -2.737 1.00 0.00 O ATOM 1584 CB HIS A 109 18.283 -18.716 -0.931 1.00 0.00 C ATOM 1585 CG HIS A 109 19.521 -18.876 -0.100 1.00 0.00 C ATOM 1586 ND1 HIS A 109 20.127 -17.834 0.566 1.00 0.00 N ATOM 1587 CD2 HIS A 109 20.249 -19.978 0.192 1.00 0.00 C ATOM 1588 CE1 HIS A 109 21.173 -18.290 1.233 1.00 0.00 C ATOM 1589 NE2 HIS A 109 21.268 -19.590 1.023 1.00 0.00 N ATOM 0 H HIS A 109 16.918 -17.050 -3.305 1.00 0.00 H new ATOM 0 HA HIS A 109 18.845 -17.019 -2.101 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.554 -18.145 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.852 -19.703 -1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.062 -20.980 -0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 109 21.838 -17.699 1.846 1.00 0.00 H new ATOM 0 HE2 HIS A 109 21.982 -20.204 1.415 1.00 0.00 H new ATOM 1598 N HIS A 110 19.161 -18.892 -4.444 1.00 0.00 N ATOM 1599 CA HIS A 110 20.029 -19.535 -5.415 1.00 0.00 C ATOM 1600 C HIS A 110 20.614 -18.478 -6.338 1.00 0.00 C ATOM 1601 O HIS A 110 19.914 -17.544 -6.733 1.00 0.00 O ATOM 1602 CB HIS A 110 19.255 -20.566 -6.249 1.00 0.00 C ATOM 1603 CG HIS A 110 18.505 -21.583 -5.439 1.00 0.00 C ATOM 1604 ND1 HIS A 110 17.245 -22.026 -5.775 1.00 0.00 N ATOM 1605 CD2 HIS A 110 18.840 -22.240 -4.303 1.00 0.00 C ATOM 1606 CE1 HIS A 110 16.839 -22.908 -4.883 1.00 0.00 C ATOM 1607 NE2 HIS A 110 17.785 -23.058 -3.975 1.00 0.00 N ATOM 0 H HIS A 110 18.268 -18.579 -4.826 1.00 0.00 H new ATOM 0 HA HIS A 110 20.825 -20.053 -4.880 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.549 -20.039 -6.891 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.955 -21.085 -6.903 1.00 0.00 H new ATOM 0 HD2 HIS A 110 19.766 -22.140 -3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 110 15.890 -23.423 -4.894 1.00 0.00 H new ATOM 0 HE2 HIS A 110 17.741 -23.677 -3.166 1.00 0.00 H new ATOM 1616 N HIS A 111 21.883 -18.620 -6.684 1.00 0.00 N ATOM 1617 CA HIS A 111 22.532 -17.667 -7.578 1.00 0.00 C ATOM 1618 C HIS A 111 22.172 -17.966 -9.027 1.00 0.00 C ATOM 1619 O HIS A 111 22.465 -17.184 -9.931 1.00 0.00 O ATOM 1620 CB HIS A 111 24.046 -17.661 -7.374 1.00 0.00 C ATOM 1621 CG HIS A 111 24.478 -16.759 -6.258 1.00 0.00 C ATOM 1622 ND1 HIS A 111 25.215 -15.613 -6.461 1.00 0.00 N ATOM 1623 CD2 HIS A 111 24.253 -16.824 -4.923 1.00 0.00 C ATOM 1624 CE1 HIS A 111 25.423 -15.014 -5.306 1.00 0.00 C ATOM 1625 NE2 HIS A 111 24.849 -15.726 -4.355 1.00 0.00 N ATOM 0 H HIS A 111 22.483 -19.380 -6.363 1.00 0.00 H new ATOM 0 HA HIS A 111 22.166 -16.669 -7.336 1.00 0.00 H new ATOM 0 HB2 HIS A 111 24.384 -18.676 -7.166 1.00 0.00 H new ATOM 0 HB3 HIS A 111 24.531 -17.346 -8.298 1.00 0.00 H new ATOM 0 HD2 HIS A 111 23.706 -17.596 -4.403 1.00 0.00 H new ATOM 0 HE1 HIS A 111 25.971 -14.095 -5.162 1.00 0.00 H new ATOM 0 HE2 HIS A 111 24.848 -15.498 -3.361 1.00 0.00 H new ATOM 1634 N HIS A 112 21.543 -19.111 -9.236 1.00 0.00 N ATOM 1635 CA HIS A 112 20.908 -19.415 -10.505 1.00 0.00 C ATOM 1636 C HIS A 112 19.401 -19.284 -10.341 1.00 0.00 C ATOM 1637 O HIS A 112 18.717 -20.232 -9.958 1.00 0.00 O ATOM 1638 CB HIS A 112 21.292 -20.812 -11.009 1.00 0.00 C ATOM 1639 CG HIS A 112 22.676 -20.871 -11.586 1.00 0.00 C ATOM 1640 ND1 HIS A 112 23.594 -21.852 -11.272 1.00 0.00 N ATOM 1641 CD2 HIS A 112 23.293 -20.056 -12.471 1.00 0.00 C ATOM 1642 CE1 HIS A 112 24.713 -21.631 -11.937 1.00 0.00 C ATOM 1643 NE2 HIS A 112 24.556 -20.548 -12.672 1.00 0.00 N ATOM 0 H HIS A 112 21.459 -19.849 -8.537 1.00 0.00 H new ATOM 0 HA HIS A 112 21.256 -18.707 -11.257 1.00 0.00 H new ATOM 0 HB2 HIS A 112 21.218 -21.522 -10.185 1.00 0.00 H new ATOM 0 HB3 HIS A 112 20.575 -21.128 -11.767 1.00 0.00 H new ATOM 0 HD2 HIS A 112 22.868 -19.178 -12.935 1.00 0.00 H new ATOM 0 HE1 HIS A 112 25.606 -22.236 -11.887 1.00 0.00 H new ATOM 0 HE2 HIS A 112 25.260 -20.143 -13.289 1.00 0.00 H new ATOM 1652 N HIS A 113 18.906 -18.082 -10.592 1.00 0.00 N ATOM 1653 CA HIS A 113 17.510 -17.748 -10.350 1.00 0.00 C ATOM 1654 C HIS A 113 16.633 -18.249 -11.490 1.00 0.00 C ATOM 1655 O HIS A 113 17.081 -18.344 -12.633 1.00 0.00 O ATOM 1656 CB HIS A 113 17.364 -16.226 -10.208 1.00 0.00 C ATOM 1657 CG HIS A 113 16.020 -15.769 -9.720 1.00 0.00 C ATOM 1658 ND1 HIS A 113 14.906 -15.678 -10.530 1.00 0.00 N ATOM 1659 CD2 HIS A 113 15.619 -15.365 -8.491 1.00 0.00 C ATOM 1660 CE1 HIS A 113 13.883 -15.239 -9.821 1.00 0.00 C ATOM 1661 NE2 HIS A 113 14.288 -15.041 -8.581 1.00 0.00 N ATOM 0 H HIS A 113 19.459 -17.312 -10.968 1.00 0.00 H new ATOM 0 HA HIS A 113 17.187 -18.233 -9.429 1.00 0.00 H new ATOM 0 HB2 HIS A 113 18.128 -15.864 -9.520 1.00 0.00 H new ATOM 0 HB3 HIS A 113 17.561 -15.764 -11.175 1.00 0.00 H new ATOM 0 HD1 HIS A 113 14.878 -15.913 -11.522 1.00 0.00 H new ATOM 0 HD2 HIS A 113 16.233 -15.308 -7.604 1.00 0.00 H new ATOM 0 HE1 HIS A 113 12.883 -15.070 -10.193 1.00 0.00 H new ATOM 1670 N HIS A 114 15.393 -18.578 -11.175 1.00 0.00 N ATOM 1671 CA HIS A 114 14.427 -18.958 -12.190 1.00 0.00 C ATOM 1672 C HIS A 114 13.575 -17.755 -12.558 1.00 0.00 C ATOM 1673 O HIS A 114 12.351 -17.792 -12.331 1.00 0.00 O ATOM 1674 CB HIS A 114 13.544 -20.106 -11.694 1.00 0.00 C ATOM 1675 CG HIS A 114 14.293 -21.383 -11.485 1.00 0.00 C ATOM 1676 ND1 HIS A 114 14.740 -21.802 -10.254 1.00 0.00 N ATOM 1677 CD2 HIS A 114 14.681 -22.330 -12.366 1.00 0.00 C ATOM 1678 CE1 HIS A 114 15.372 -22.951 -10.384 1.00 0.00 C ATOM 1679 NE2 HIS A 114 15.352 -23.296 -11.659 1.00 0.00 N ATOM 1680 OXT HIS A 114 14.150 -16.755 -13.039 1.00 0.00 O ATOM 0 H HIS A 114 15.031 -18.590 -10.222 1.00 0.00 H new ATOM 0 HA HIS A 114 14.962 -19.302 -13.075 1.00 0.00 H new ATOM 0 HB2 HIS A 114 13.072 -19.813 -10.756 1.00 0.00 H new ATOM 0 HB3 HIS A 114 12.744 -20.276 -12.414 1.00 0.00 H new ATOM 0 HD1 HIS A 114 14.604 -21.301 -9.376 1.00 0.00 H new ATOM 0 HD2 HIS A 114 14.497 -22.328 -13.430 1.00 0.00 H new ATOM 0 HE1 HIS A 114 15.829 -23.515 -9.584 1.00 0.00 H new TER 1689 HIS A 114