USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 996 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 833 THR OG1 : rot 73:sc= 0.528 USER MOD Set 1.2: A 867 THR OG1 : rot 57:sc= 0.716 USER MOD Set 2.1: A 788 HIS : no HD1:sc= -0.141 K(o=-4.8,f=-2.5) USER MOD Set 2.2: A 852 ASN : amide:sc= -4.63! K(o=-4.8!,f=-2.5) USER MOD Set 3.1: A 811 ASN : amide:sc= 0.324 K(o=2,f=-1.7!) USER MOD Set 3.2: A 825 GLN : amide:sc= 1.7 K(o=2,f=-4.4!) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 754 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 755 GLN : amide:sc= 0.42 K(o=0.42,f=-0.82) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 762 GLN : amide:sc= 1.15 K(o=1.1,f=-0.22) USER MOD Single : A 772 THR OG1 : rot 73:sc= 0.809 USER MOD Single : A 775 THR OG1 : rot 75:sc= 0.918 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 779 ASN : amide:sc= 0.555 K(o=0.56,f=0) USER MOD Single : A 783 GLN : amide:sc= -0.095 K(o=-0.095,f=-1.6!) USER MOD Single : A 784 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-4.2!) USER MOD Single : A 786 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 THR OG1 : rot 117:sc= 1.34 USER MOD Single : A 798 TYR OH : rot 180:sc= 0 USER MOD Single : A 800 GLN : amide:sc= -0.712 K(o=-0.71,f=-1.6!) USER MOD Single : A 802 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 804 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 807 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 809 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 814 SER OG : rot 80:sc= 1.3 USER MOD Single : A 815 SER OG : rot -75:sc= -3.11! USER MOD Single : A 816 MET CE :methyl -117:sc=-0.00156 (180deg=-0.363) USER MOD Single : A 822 MET CE :methyl 170:sc= -0.992 (180deg=-1.78) USER MOD Single : A 831 GLN : amide:sc= -0.0694 K(o=-0.069,f=-1.1) USER MOD Single : A 834 SER OG : rot 62:sc= 1.32 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 841 LYS NZ :NH3+ 150:sc= 1.22 (180deg=-0.279) USER MOD Single : A 848 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 853 SER OG : rot 150:sc= -1.46! USER MOD Single : A 855 LYS NZ :NH3+ -131:sc= 1.25 (180deg=0.828) USER MOD Single : A 858 SER OG : rot 76:sc= 1.31 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.732) USER MOD Single : A 870 MET CE :methyl -167:sc= -2.79! (180deg=-3.5!) USER MOD Single : A 875 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.08) USER MOD Single : A 880 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.2!) USER MOD Single : A 883 SER OG : rot 180:sc=0.000618 USER MOD Single : A 886 GLN : amide:sc= -0.781! C(o=-0.78!,f=-1.2!) USER MOD Single : A 887 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.34) USER MOD Single : A 888 GLN : amide:sc= 0.468 K(o=0.47,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 751 -5.155 -21.558 3.473 1.00 0.00 N ATOM 2 CA GLY A 751 -4.499 -20.435 4.183 1.00 0.00 C ATOM 3 C GLY A 751 -4.736 -19.110 3.488 1.00 0.00 C ATOM 4 O GLY A 751 -3.799 -18.344 3.248 1.00 0.00 O ATOM 0 HA2 GLY A 751 -4.876 -20.382 5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 751 -3.427 -20.624 4.249 1.00 0.00 H new ATOM 10 N SER A 752 -5.987 -18.841 3.153 1.00 0.00 N ATOM 11 CA SER A 752 -6.350 -17.609 2.477 1.00 0.00 C ATOM 12 C SER A 752 -7.159 -16.710 3.405 1.00 0.00 C ATOM 13 O SER A 752 -8.062 -17.178 4.098 1.00 0.00 O ATOM 14 CB SER A 752 -7.155 -17.927 1.217 1.00 0.00 C ATOM 15 OG SER A 752 -6.944 -19.268 0.798 1.00 0.00 O ATOM 0 H SER A 752 -6.772 -19.465 3.340 1.00 0.00 H new ATOM 0 HA SER A 752 -5.439 -17.082 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 752 -8.216 -17.766 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 752 -6.869 -17.244 0.417 1.00 0.00 H new ATOM 0 HG SER A 752 -7.472 -19.446 -0.009 1.00 0.00 H new ATOM 21 N HIS A 753 -6.814 -15.431 3.437 1.00 0.00 N ATOM 22 CA HIS A 753 -7.565 -14.458 4.218 1.00 0.00 C ATOM 23 C HIS A 753 -8.919 -14.211 3.565 1.00 0.00 C ATOM 24 O HIS A 753 -9.019 -13.474 2.583 1.00 0.00 O ATOM 25 CB HIS A 753 -6.785 -13.148 4.340 1.00 0.00 C ATOM 26 CG HIS A 753 -5.853 -13.111 5.512 1.00 0.00 C ATOM 27 ND1 HIS A 753 -5.415 -11.941 6.085 1.00 0.00 N ATOM 28 CD2 HIS A 753 -5.273 -14.112 6.217 1.00 0.00 C ATOM 29 CE1 HIS A 753 -4.606 -12.220 7.089 1.00 0.00 C ATOM 30 NE2 HIS A 753 -4.503 -13.531 7.194 1.00 0.00 N ATOM 0 H HIS A 753 -6.018 -15.042 2.931 1.00 0.00 H new ATOM 0 HA HIS A 753 -7.720 -14.855 5.221 1.00 0.00 H new ATOM 0 HB2 HIS A 753 -6.212 -12.990 3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 753 -7.491 -12.321 4.421 1.00 0.00 H new ATOM 0 HD2 HIS A 753 -5.394 -15.171 6.043 1.00 0.00 H new ATOM 0 HE1 HIS A 753 -4.111 -11.496 7.719 1.00 0.00 H new ATOM 0 HE2 HIS A 753 -3.944 -14.030 7.886 1.00 0.00 H new ATOM 39 N MET A 754 -9.947 -14.842 4.118 1.00 0.00 N ATOM 40 CA MET A 754 -11.280 -14.846 3.524 1.00 0.00 C ATOM 41 C MET A 754 -11.825 -13.434 3.315 1.00 0.00 C ATOM 42 O MET A 754 -11.965 -12.655 4.261 1.00 0.00 O ATOM 43 CB MET A 754 -12.241 -15.657 4.403 1.00 0.00 C ATOM 44 CG MET A 754 -13.715 -15.381 4.135 1.00 0.00 C ATOM 45 SD MET A 754 -14.331 -16.236 2.672 1.00 0.00 S ATOM 46 CE MET A 754 -15.623 -17.249 3.390 1.00 0.00 C ATOM 0 H MET A 754 -9.881 -15.366 4.991 1.00 0.00 H new ATOM 0 HA MET A 754 -11.199 -15.310 2.541 1.00 0.00 H new ATOM 0 HB2 MET A 754 -12.048 -16.719 4.249 1.00 0.00 H new ATOM 0 HB3 MET A 754 -12.027 -15.442 5.450 1.00 0.00 H new ATOM 0 HG2 MET A 754 -14.301 -15.686 5.002 1.00 0.00 H new ATOM 0 HG3 MET A 754 -13.863 -14.308 4.012 1.00 0.00 H new ATOM 0 HE1 MET A 754 -16.100 -17.839 2.607 1.00 0.00 H new ATOM 0 HE2 MET A 754 -15.190 -17.917 4.135 1.00 0.00 H new ATOM 0 HE3 MET A 754 -16.366 -16.608 3.865 1.00 0.00 H new ATOM 56 N GLN A 755 -12.117 -13.116 2.062 1.00 0.00 N ATOM 57 CA GLN A 755 -12.777 -11.869 1.718 1.00 0.00 C ATOM 58 C GLN A 755 -14.284 -12.094 1.716 1.00 0.00 C ATOM 59 O GLN A 755 -14.744 -13.207 1.454 1.00 0.00 O ATOM 60 CB GLN A 755 -12.306 -11.375 0.344 1.00 0.00 C ATOM 61 CG GLN A 755 -12.678 -9.929 0.039 1.00 0.00 C ATOM 62 CD GLN A 755 -12.403 -8.990 1.200 1.00 0.00 C ATOM 63 OE1 GLN A 755 -11.359 -9.069 1.847 1.00 0.00 O ATOM 64 NE2 GLN A 755 -13.342 -8.099 1.476 1.00 0.00 N ATOM 0 H GLN A 755 -11.904 -13.712 1.262 1.00 0.00 H new ATOM 0 HA GLN A 755 -12.523 -11.106 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 755 -11.223 -11.480 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 755 -12.732 -12.018 -0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 755 -12.119 -9.592 -0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 755 -13.736 -9.878 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 755 -14.194 -8.065 0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 755 -13.214 -7.446 2.249 1.00 0.00 H new ATOM 73 N ALA A 756 -15.046 -11.050 2.018 1.00 0.00 N ATOM 74 CA ALA A 756 -16.496 -11.159 2.088 1.00 0.00 C ATOM 75 C ALA A 756 -17.081 -11.614 0.756 1.00 0.00 C ATOM 76 O ALA A 756 -17.992 -12.447 0.731 1.00 0.00 O ATOM 77 CB ALA A 756 -17.109 -9.834 2.511 1.00 0.00 C ATOM 0 H ALA A 756 -14.683 -10.118 2.218 1.00 0.00 H new ATOM 0 HA ALA A 756 -16.739 -11.913 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 756 -18.193 -9.933 2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 756 -16.727 -9.553 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 756 -16.847 -9.064 1.786 1.00 0.00 H new ATOM 83 N ALA A 757 -16.548 -11.056 -0.339 1.00 0.00 N ATOM 84 CA ALA A 757 -16.990 -11.365 -1.707 1.00 0.00 C ATOM 85 C ALA A 757 -18.329 -10.698 -1.996 1.00 0.00 C ATOM 86 O ALA A 757 -18.488 -10.014 -3.008 1.00 0.00 O ATOM 87 CB ALA A 757 -17.060 -12.867 -1.962 1.00 0.00 C ATOM 0 H ALA A 757 -15.792 -10.372 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 757 -16.244 -10.962 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.391 -13.047 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -16.073 -13.307 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.766 -13.322 -1.267 1.00 0.00 H new ATOM 93 N THR A 758 -19.284 -10.893 -1.097 1.00 0.00 N ATOM 94 CA THR A 758 -20.538 -10.162 -1.127 1.00 0.00 C ATOM 95 C THR A 758 -20.319 -8.754 -0.578 1.00 0.00 C ATOM 96 O THR A 758 -20.967 -8.335 0.385 1.00 0.00 O ATOM 97 CB THR A 758 -21.608 -10.883 -0.292 1.00 0.00 C ATOM 98 OG1 THR A 758 -21.137 -12.184 0.095 1.00 0.00 O ATOM 99 CG2 THR A 758 -22.906 -11.018 -1.073 1.00 0.00 C ATOM 0 H THR A 758 -19.209 -11.561 -0.330 1.00 0.00 H new ATOM 0 HA THR A 758 -20.885 -10.105 -2.159 1.00 0.00 H new ATOM 0 HB THR A 758 -21.801 -10.288 0.600 1.00 0.00 H new ATOM 0 HG1 THR A 758 -21.824 -12.636 0.628 1.00 0.00 H new ATOM 0 HG21 THR A 758 -23.647 -11.531 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 758 -23.277 -10.027 -1.337 1.00 0.00 H new ATOM 0 HG23 THR A 758 -22.726 -11.592 -1.982 1.00 0.00 H new ATOM 107 N GLU A 759 -19.386 -8.044 -1.204 1.00 0.00 N ATOM 108 CA GLU A 759 -18.953 -6.734 -0.750 1.00 0.00 C ATOM 109 C GLU A 759 -20.124 -5.773 -0.612 1.00 0.00 C ATOM 110 O GLU A 759 -20.970 -5.664 -1.504 1.00 0.00 O ATOM 111 CB GLU A 759 -17.913 -6.167 -1.717 1.00 0.00 C ATOM 112 CG GLU A 759 -16.608 -6.947 -1.724 1.00 0.00 C ATOM 113 CD GLU A 759 -16.026 -7.123 -0.335 1.00 0.00 C ATOM 114 OE1 GLU A 759 -15.998 -6.134 0.429 1.00 0.00 O ATOM 115 OE2 GLU A 759 -15.598 -8.251 -0.002 1.00 0.00 O ATOM 0 H GLU A 759 -18.908 -8.366 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 759 -18.505 -6.850 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -18.329 -6.161 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -17.707 -5.130 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -16.777 -7.927 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -15.884 -6.431 -2.354 1.00 0.00 H new ATOM 122 N ASP A 760 -20.167 -5.087 0.516 1.00 0.00 N ATOM 123 CA ASP A 760 -21.248 -4.164 0.814 1.00 0.00 C ATOM 124 C ASP A 760 -20.690 -2.875 1.401 1.00 0.00 C ATOM 125 O ASP A 760 -20.938 -1.788 0.882 1.00 0.00 O ATOM 126 CB ASP A 760 -22.246 -4.811 1.783 1.00 0.00 C ATOM 127 CG ASP A 760 -22.981 -3.798 2.639 1.00 0.00 C ATOM 128 OD1 ASP A 760 -23.819 -3.050 2.092 1.00 0.00 O ATOM 129 OD2 ASP A 760 -22.729 -3.753 3.862 1.00 0.00 O ATOM 0 H ASP A 760 -19.459 -5.153 1.247 1.00 0.00 H new ATOM 0 HA ASP A 760 -21.772 -3.924 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 760 -22.971 -5.393 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -21.715 -5.509 2.431 1.00 0.00 H new ATOM 134 N GLY A 761 -19.921 -3.006 2.473 1.00 0.00 N ATOM 135 CA GLY A 761 -19.339 -1.845 3.107 1.00 0.00 C ATOM 136 C GLY A 761 -18.072 -2.180 3.863 1.00 0.00 C ATOM 137 O GLY A 761 -18.036 -2.107 5.090 1.00 0.00 O ATOM 0 H GLY A 761 -19.691 -3.897 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 761 -19.120 -1.092 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 761 -20.064 -1.406 3.793 1.00 0.00 H new ATOM 141 N GLN A 762 -17.033 -2.560 3.134 1.00 0.00 N ATOM 142 CA GLN A 762 -15.737 -2.846 3.738 1.00 0.00 C ATOM 143 C GLN A 762 -14.875 -1.584 3.781 1.00 0.00 C ATOM 144 O GLN A 762 -13.651 -1.653 3.656 1.00 0.00 O ATOM 145 CB GLN A 762 -15.017 -3.943 2.952 1.00 0.00 C ATOM 146 CG GLN A 762 -14.859 -5.244 3.723 1.00 0.00 C ATOM 147 CD GLN A 762 -16.185 -5.931 3.987 1.00 0.00 C ATOM 148 OE1 GLN A 762 -16.634 -6.024 5.129 1.00 0.00 O ATOM 149 NE2 GLN A 762 -16.821 -6.420 2.935 1.00 0.00 N ATOM 0 H GLN A 762 -17.061 -2.678 2.121 1.00 0.00 H new ATOM 0 HA GLN A 762 -15.902 -3.191 4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 762 -15.568 -4.140 2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 762 -14.031 -3.581 2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 762 -14.210 -5.917 3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 762 -14.364 -5.041 4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 762 -16.416 -6.323 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 762 -17.716 -6.894 3.055 1.00 0.00 H new ATOM 158 N LEU A 763 -15.528 -0.441 3.974 1.00 0.00 N ATOM 159 CA LEU A 763 -14.857 0.857 3.972 1.00 0.00 C ATOM 160 C LEU A 763 -13.736 0.910 5.007 1.00 0.00 C ATOM 161 O LEU A 763 -12.587 1.192 4.677 1.00 0.00 O ATOM 162 CB LEU A 763 -15.871 1.972 4.250 1.00 0.00 C ATOM 163 CG LEU A 763 -16.192 2.880 3.060 1.00 0.00 C ATOM 164 CD1 LEU A 763 -14.953 3.643 2.620 1.00 0.00 C ATOM 165 CD2 LEU A 763 -16.762 2.071 1.905 1.00 0.00 C ATOM 0 H LEU A 763 -16.534 -0.388 4.136 1.00 0.00 H new ATOM 0 HA LEU A 763 -14.414 1.001 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -16.798 1.518 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -15.492 2.589 5.065 1.00 0.00 H new ATOM 0 HG LEU A 763 -16.945 3.602 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -15.201 4.283 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.592 4.257 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -14.176 2.937 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -16.983 2.735 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -16.034 1.323 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -17.678 1.574 2.226 1.00 0.00 H new ATOM 177 N LEU A 764 -14.066 0.627 6.252 1.00 0.00 N ATOM 178 CA LEU A 764 -13.075 0.658 7.314 1.00 0.00 C ATOM 179 C LEU A 764 -12.537 -0.740 7.576 1.00 0.00 C ATOM 180 O LEU A 764 -11.357 -0.914 7.874 1.00 0.00 O ATOM 181 CB LEU A 764 -13.675 1.239 8.596 1.00 0.00 C ATOM 182 CG LEU A 764 -14.007 2.731 8.539 1.00 0.00 C ATOM 183 CD1 LEU A 764 -14.908 3.120 9.701 1.00 0.00 C ATOM 184 CD2 LEU A 764 -12.734 3.563 8.549 1.00 0.00 C ATOM 0 H LEU A 764 -15.007 0.374 6.554 1.00 0.00 H new ATOM 0 HA LEU A 764 -12.253 1.298 6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 764 -14.585 0.689 8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 764 -12.976 1.069 9.415 1.00 0.00 H new ATOM 0 HG LEU A 764 -14.539 2.930 7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 764 -15.134 4.185 9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 764 -15.835 2.549 9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 764 -14.401 2.906 10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 764 -12.991 4.622 8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 764 -12.174 3.361 9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 764 -12.123 3.304 7.684 1.00 0.00 H new ATOM 196 N ARG A 765 -13.409 -1.731 7.440 1.00 0.00 N ATOM 197 CA ARG A 765 -13.034 -3.118 7.682 1.00 0.00 C ATOM 198 C ARG A 765 -11.955 -3.572 6.705 1.00 0.00 C ATOM 199 O ARG A 765 -10.963 -4.179 7.101 1.00 0.00 O ATOM 200 CB ARG A 765 -14.258 -4.026 7.565 1.00 0.00 C ATOM 201 CG ARG A 765 -14.775 -4.518 8.905 1.00 0.00 C ATOM 202 CD ARG A 765 -16.060 -3.811 9.299 1.00 0.00 C ATOM 203 NE ARG A 765 -15.808 -2.574 10.037 1.00 0.00 N ATOM 204 CZ ARG A 765 -16.650 -1.541 10.078 1.00 0.00 C ATOM 205 NH1 ARG A 765 -17.794 -1.580 9.404 1.00 0.00 N ATOM 206 NH2 ARG A 765 -16.341 -0.463 10.787 1.00 0.00 N ATOM 0 H ARG A 765 -14.382 -1.600 7.163 1.00 0.00 H new ATOM 0 HA ARG A 765 -12.633 -3.187 8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -15.054 -3.486 7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -14.005 -4.885 6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -14.950 -5.593 8.856 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -14.018 -4.353 9.671 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -16.638 -3.586 8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -16.667 -4.479 9.910 1.00 0.00 H new ATOM 0 HE ARG A 765 -14.932 -2.496 10.554 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -18.032 -2.403 8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -18.434 -0.787 9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -15.460 -0.425 11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -16.984 0.328 10.819 1.00 0.00 H new ATOM 220 N GLY A 766 -12.146 -3.260 5.433 1.00 0.00 N ATOM 221 CA GLY A 766 -11.201 -3.681 4.421 1.00 0.00 C ATOM 222 C GLY A 766 -10.183 -2.609 4.097 1.00 0.00 C ATOM 223 O GLY A 766 -8.989 -2.789 4.332 1.00 0.00 O ATOM 0 H GLY A 766 -12.939 -2.722 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -10.684 -4.578 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.741 -3.951 3.514 1.00 0.00 H new ATOM 227 N VAL A 767 -10.659 -1.483 3.573 1.00 0.00 N ATOM 228 CA VAL A 767 -9.776 -0.405 3.137 1.00 0.00 C ATOM 229 C VAL A 767 -8.951 0.140 4.293 1.00 0.00 C ATOM 230 O VAL A 767 -7.756 0.382 4.144 1.00 0.00 O ATOM 231 CB VAL A 767 -10.556 0.760 2.496 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.642 1.596 1.614 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.745 0.246 1.704 1.00 0.00 C ATOM 0 H VAL A 767 -11.652 -1.293 3.440 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.115 -0.842 2.389 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.934 1.396 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.212 2.413 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.830 2.004 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.229 0.971 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.279 1.087 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.396 -0.418 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.415 -0.301 2.367 1.00 0.00 H new ATOM 243 N GLY A 768 -9.594 0.325 5.440 1.00 0.00 N ATOM 244 CA GLY A 768 -8.910 0.859 6.604 1.00 0.00 C ATOM 245 C GLY A 768 -7.702 0.033 6.999 1.00 0.00 C ATOM 246 O GLY A 768 -6.585 0.547 7.058 1.00 0.00 O ATOM 0 H GLY A 768 -10.581 0.114 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.595 1.882 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.606 0.902 7.442 1.00 0.00 H new ATOM 250 N ALA A 769 -7.922 -1.252 7.243 1.00 0.00 N ATOM 251 CA ALA A 769 -6.850 -2.153 7.648 1.00 0.00 C ATOM 252 C ALA A 769 -5.756 -2.222 6.586 1.00 0.00 C ATOM 253 O ALA A 769 -4.565 -2.167 6.899 1.00 0.00 O ATOM 254 CB ALA A 769 -7.406 -3.542 7.927 1.00 0.00 C ATOM 0 H ALA A 769 -8.837 -1.696 7.167 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.406 -1.760 8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.595 -4.205 8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.144 -3.485 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -7.878 -3.933 7.026 1.00 0.00 H new ATOM 260 N ALA A 770 -6.169 -2.324 5.329 1.00 0.00 N ATOM 261 CA ALA A 770 -5.233 -2.423 4.216 1.00 0.00 C ATOM 262 C ALA A 770 -4.400 -1.151 4.074 1.00 0.00 C ATOM 263 O ALA A 770 -3.187 -1.213 3.873 1.00 0.00 O ATOM 264 CB ALA A 770 -5.985 -2.712 2.927 1.00 0.00 C ATOM 0 H ALA A 770 -7.151 -2.340 5.054 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.548 -3.246 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.277 -2.784 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.526 -3.653 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.692 -1.906 2.730 1.00 0.00 H new ATOM 270 N ALA A 771 -5.052 -0.001 4.192 1.00 0.00 N ATOM 271 CA ALA A 771 -4.372 1.282 4.070 1.00 0.00 C ATOM 272 C ALA A 771 -3.360 1.470 5.197 1.00 0.00 C ATOM 273 O ALA A 771 -2.235 1.924 4.967 1.00 0.00 O ATOM 274 CB ALA A 771 -5.380 2.419 4.057 1.00 0.00 C ATOM 0 H ALA A 771 -6.053 0.069 4.373 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.829 1.293 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.855 3.370 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.057 2.295 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.952 2.409 4.985 1.00 0.00 H new ATOM 280 N THR A 772 -3.757 1.110 6.413 1.00 0.00 N ATOM 281 CA THR A 772 -2.857 1.170 7.555 1.00 0.00 C ATOM 282 C THR A 772 -1.646 0.268 7.331 1.00 0.00 C ATOM 283 O THR A 772 -0.513 0.664 7.597 1.00 0.00 O ATOM 284 CB THR A 772 -3.574 0.756 8.858 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.757 1.546 9.034 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.662 0.930 10.066 1.00 0.00 C ATOM 0 H THR A 772 -4.695 0.774 6.631 1.00 0.00 H new ATOM 0 HA THR A 772 -2.525 2.203 7.655 1.00 0.00 H new ATOM 0 HB THR A 772 -3.842 -0.297 8.777 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.443 1.254 8.398 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.194 0.631 10.969 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.775 0.309 9.945 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.364 1.975 10.150 1.00 0.00 H new ATOM 294 N ALA A 773 -1.893 -0.933 6.813 1.00 0.00 N ATOM 295 CA ALA A 773 -0.826 -1.888 6.535 1.00 0.00 C ATOM 296 C ALA A 773 0.212 -1.295 5.585 1.00 0.00 C ATOM 297 O ALA A 773 1.415 -1.421 5.814 1.00 0.00 O ATOM 298 CB ALA A 773 -1.403 -3.173 5.960 1.00 0.00 C ATOM 0 H ALA A 773 -2.827 -1.268 6.577 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.325 -2.119 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.595 -3.876 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.096 -3.613 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -1.932 -2.951 5.033 1.00 0.00 H new ATOM 304 N VAL A 774 -0.261 -0.638 4.528 1.00 0.00 N ATOM 305 CA VAL A 774 0.626 0.001 3.559 1.00 0.00 C ATOM 306 C VAL A 774 1.427 1.123 4.213 1.00 0.00 C ATOM 307 O VAL A 774 2.648 1.190 4.069 1.00 0.00 O ATOM 308 CB VAL A 774 -0.160 0.572 2.357 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.767 1.294 1.390 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.908 -0.536 1.643 1.00 0.00 C ATOM 0 H VAL A 774 -1.254 -0.534 4.321 1.00 0.00 H new ATOM 0 HA VAL A 774 1.307 -0.769 3.197 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.881 1.295 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.187 1.686 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.261 2.117 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.517 0.597 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.457 -0.119 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.198 -1.280 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.608 -1.007 2.334 1.00 0.00 H new ATOM 320 N THR A 775 0.735 1.991 4.941 1.00 0.00 N ATOM 321 CA THR A 775 1.386 3.095 5.634 1.00 0.00 C ATOM 322 C THR A 775 2.426 2.582 6.631 1.00 0.00 C ATOM 323 O THR A 775 3.500 3.168 6.781 1.00 0.00 O ATOM 324 CB THR A 775 0.357 3.980 6.368 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.788 4.197 5.531 1.00 0.00 O ATOM 326 CG2 THR A 775 0.967 5.320 6.750 1.00 0.00 C ATOM 0 H THR A 775 -0.276 1.951 5.067 1.00 0.00 H new ATOM 0 HA THR A 775 1.889 3.698 4.878 1.00 0.00 H new ATOM 0 HB THR A 775 0.053 3.463 7.278 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.334 3.383 5.506 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.222 5.925 7.266 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.821 5.157 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.297 5.840 5.850 1.00 0.00 H new ATOM 334 N GLN A 776 2.106 1.479 7.299 1.00 0.00 N ATOM 335 CA GLN A 776 3.021 0.863 8.251 1.00 0.00 C ATOM 336 C GLN A 776 4.238 0.291 7.533 1.00 0.00 C ATOM 337 O GLN A 776 5.375 0.517 7.945 1.00 0.00 O ATOM 338 CB GLN A 776 2.313 -0.243 9.034 1.00 0.00 C ATOM 339 CG GLN A 776 1.407 0.277 10.136 1.00 0.00 C ATOM 340 CD GLN A 776 2.071 0.248 11.495 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.475 1.284 12.025 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.187 -0.936 12.071 1.00 0.00 N ATOM 0 H GLN A 776 1.216 0.992 7.197 1.00 0.00 H new ATOM 0 HA GLN A 776 3.354 1.632 8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.722 -0.845 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 776 3.062 -0.903 9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.107 1.299 9.903 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.497 -0.323 10.167 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.839 -1.770 11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 776 2.625 -1.016 12.989 1.00 0.00 H new ATOM 351 N ALA A 777 3.985 -0.437 6.452 1.00 0.00 N ATOM 352 CA ALA A 777 5.050 -1.047 5.667 1.00 0.00 C ATOM 353 C ALA A 777 5.980 0.015 5.090 1.00 0.00 C ATOM 354 O ALA A 777 7.203 -0.113 5.159 1.00 0.00 O ATOM 355 CB ALA A 777 4.462 -1.902 4.553 1.00 0.00 C ATOM 0 H ALA A 777 3.046 -0.620 6.098 1.00 0.00 H new ATOM 0 HA ALA A 777 5.636 -1.686 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.269 -2.351 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.844 -2.689 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.851 -1.279 3.900 1.00 0.00 H new ATOM 361 N LEU A 778 5.393 1.068 4.535 1.00 0.00 N ATOM 362 CA LEU A 778 6.166 2.153 3.946 1.00 0.00 C ATOM 363 C LEU A 778 6.998 2.865 5.005 1.00 0.00 C ATOM 364 O LEU A 778 8.166 3.177 4.777 1.00 0.00 O ATOM 365 CB LEU A 778 5.247 3.156 3.249 1.00 0.00 C ATOM 366 CG LEU A 778 5.970 4.311 2.556 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.346 3.926 1.137 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.107 5.560 2.563 1.00 0.00 C ATOM 0 H LEU A 778 4.382 1.193 4.481 1.00 0.00 H new ATOM 0 HA LEU A 778 6.839 1.718 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.647 2.625 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.556 3.567 3.985 1.00 0.00 H new ATOM 0 HG LEU A 778 6.886 4.526 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.860 4.759 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 778 7.004 3.058 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 778 5.444 3.684 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.638 6.372 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.174 5.360 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 778 4.889 5.846 3.592 1.00 0.00 H new ATOM 380 N ASN A 779 6.392 3.117 6.159 1.00 0.00 N ATOM 381 CA ASN A 779 7.092 3.763 7.267 1.00 0.00 C ATOM 382 C ASN A 779 8.266 2.907 7.713 1.00 0.00 C ATOM 383 O ASN A 779 9.372 3.406 7.920 1.00 0.00 O ATOM 384 CB ASN A 779 6.144 3.993 8.445 1.00 0.00 C ATOM 385 CG ASN A 779 5.598 5.407 8.492 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.308 6.353 8.839 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.330 5.559 8.146 1.00 0.00 N ATOM 0 H ASN A 779 5.418 2.885 6.354 1.00 0.00 H new ATOM 0 HA ASN A 779 7.461 4.729 6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.314 3.290 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.670 3.780 9.376 1.00 0.00 H new ATOM 0 HD21 ASN A 779 3.905 6.486 8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.777 4.749 7.865 1.00 0.00 H new ATOM 394 N GLU A 780 8.012 1.608 7.834 1.00 0.00 N ATOM 395 CA GLU A 780 9.034 0.646 8.223 1.00 0.00 C ATOM 396 C GLU A 780 10.194 0.674 7.239 1.00 0.00 C ATOM 397 O GLU A 780 11.357 0.812 7.625 1.00 0.00 O ATOM 398 CB GLU A 780 8.427 -0.759 8.265 1.00 0.00 C ATOM 399 CG GLU A 780 8.705 -1.513 9.557 1.00 0.00 C ATOM 400 CD GLU A 780 10.091 -2.123 9.608 1.00 0.00 C ATOM 401 OE1 GLU A 780 10.285 -3.224 9.057 1.00 0.00 O ATOM 402 OE2 GLU A 780 10.990 -1.514 10.221 1.00 0.00 O ATOM 0 H GLU A 780 7.095 1.195 7.666 1.00 0.00 H new ATOM 0 HA GLU A 780 9.408 0.912 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.349 -0.682 8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.817 -1.338 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 780 8.584 -0.833 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 780 7.963 -2.303 9.676 1.00 0.00 H new ATOM 409 N LEU A 781 9.862 0.561 5.965 1.00 0.00 N ATOM 410 CA LEU A 781 10.859 0.544 4.910 1.00 0.00 C ATOM 411 C LEU A 781 11.623 1.862 4.852 1.00 0.00 C ATOM 412 O LEU A 781 12.834 1.871 4.642 1.00 0.00 O ATOM 413 CB LEU A 781 10.196 0.266 3.567 1.00 0.00 C ATOM 414 CG LEU A 781 11.160 0.113 2.399 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.303 -1.351 2.014 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.686 0.944 1.218 1.00 0.00 C ATOM 0 H LEU A 781 8.901 0.479 5.634 1.00 0.00 H new ATOM 0 HA LEU A 781 11.571 -0.251 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.603 -0.645 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.504 1.078 3.344 1.00 0.00 H new ATOM 0 HG LEU A 781 12.142 0.477 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.996 -1.441 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.686 -1.915 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.330 -1.748 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.383 0.827 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.696 0.608 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.639 1.994 1.507 1.00 0.00 H new ATOM 428 N LEU A 782 10.913 2.969 5.042 1.00 0.00 N ATOM 429 CA LEU A 782 11.529 4.290 5.022 1.00 0.00 C ATOM 430 C LEU A 782 12.652 4.376 6.047 1.00 0.00 C ATOM 431 O LEU A 782 13.745 4.852 5.743 1.00 0.00 O ATOM 432 CB LEU A 782 10.486 5.376 5.297 1.00 0.00 C ATOM 433 CG LEU A 782 10.035 6.169 4.069 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.884 7.097 4.425 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.201 6.954 3.487 1.00 0.00 C ATOM 0 H LEU A 782 9.907 2.977 5.212 1.00 0.00 H new ATOM 0 HA LEU A 782 11.949 4.451 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.611 4.911 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.894 6.072 6.030 1.00 0.00 H new ATOM 0 HG LEU A 782 9.683 5.467 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.577 7.653 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.043 6.509 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.205 7.795 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.864 7.513 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.583 7.647 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.993 6.265 3.193 1.00 0.00 H new ATOM 447 N GLN A 783 12.384 3.896 7.256 1.00 0.00 N ATOM 448 CA GLN A 783 13.390 3.884 8.311 1.00 0.00 C ATOM 449 C GLN A 783 14.512 2.915 7.957 1.00 0.00 C ATOM 450 O GLN A 783 15.688 3.193 8.187 1.00 0.00 O ATOM 451 CB GLN A 783 12.763 3.489 9.650 1.00 0.00 C ATOM 452 CG GLN A 783 11.523 4.294 10.003 1.00 0.00 C ATOM 453 CD GLN A 783 10.560 3.536 10.895 1.00 0.00 C ATOM 454 OE1 GLN A 783 10.838 2.420 11.334 1.00 0.00 O ATOM 455 NE2 GLN A 783 9.417 4.142 11.175 1.00 0.00 N ATOM 0 H GLN A 783 11.480 3.511 7.530 1.00 0.00 H new ATOM 0 HA GLN A 783 13.803 4.889 8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 783 12.503 2.431 9.622 1.00 0.00 H new ATOM 0 HB3 GLN A 783 13.504 3.614 10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 783 11.824 5.215 10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 783 11.010 4.582 9.085 1.00 0.00 H new ATOM 0 HE21 GLN A 783 9.223 5.067 10.792 1.00 0.00 H new ATOM 0 HE22 GLN A 783 8.730 3.684 11.774 1.00 0.00 H new ATOM 464 N HIS A 784 14.132 1.788 7.369 1.00 0.00 N ATOM 465 CA HIS A 784 15.083 0.746 6.994 1.00 0.00 C ATOM 466 C HIS A 784 16.070 1.252 5.949 1.00 0.00 C ATOM 467 O HIS A 784 17.269 1.012 6.050 1.00 0.00 O ATOM 468 CB HIS A 784 14.341 -0.473 6.446 1.00 0.00 C ATOM 469 CG HIS A 784 14.668 -1.754 7.149 1.00 0.00 C ATOM 470 ND1 HIS A 784 15.832 -1.959 7.858 1.00 0.00 N ATOM 471 CD2 HIS A 784 13.973 -2.910 7.233 1.00 0.00 C ATOM 472 CE1 HIS A 784 15.839 -3.187 8.342 1.00 0.00 C ATOM 473 NE2 HIS A 784 14.719 -3.785 7.981 1.00 0.00 N ATOM 0 H HIS A 784 13.162 1.570 7.139 1.00 0.00 H new ATOM 0 HA HIS A 784 15.639 0.464 7.888 1.00 0.00 H new ATOM 0 HB2 HIS A 784 13.268 -0.295 6.518 1.00 0.00 H new ATOM 0 HB3 HIS A 784 14.575 -0.582 5.387 1.00 0.00 H new ATOM 0 HD1 HIS A 784 16.572 -1.270 7.988 1.00 0.00 H new ATOM 0 HD2 HIS A 784 13.007 -3.109 6.792 1.00 0.00 H new ATOM 0 HE1 HIS A 784 16.628 -3.628 8.933 1.00 0.00 H new ATOM 482 N VAL A 785 15.552 1.946 4.945 1.00 0.00 N ATOM 483 CA VAL A 785 16.378 2.475 3.869 1.00 0.00 C ATOM 484 C VAL A 785 17.194 3.673 4.347 1.00 0.00 C ATOM 485 O VAL A 785 18.360 3.820 3.990 1.00 0.00 O ATOM 486 CB VAL A 785 15.519 2.881 2.649 1.00 0.00 C ATOM 487 CG1 VAL A 785 16.381 3.483 1.549 1.00 0.00 C ATOM 488 CG2 VAL A 785 14.745 1.681 2.121 1.00 0.00 C ATOM 0 H VAL A 785 14.558 2.156 4.853 1.00 0.00 H new ATOM 0 HA VAL A 785 17.060 1.682 3.564 1.00 0.00 H new ATOM 0 HB VAL A 785 14.808 3.640 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 785 15.751 3.759 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 785 16.888 4.370 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 785 17.122 2.752 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 785 14.146 1.984 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 785 15.444 0.901 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 785 14.090 1.297 2.903 1.00 0.00 H new ATOM 498 N LYS A 786 16.584 4.515 5.172 1.00 0.00 N ATOM 499 CA LYS A 786 17.258 5.703 5.688 1.00 0.00 C ATOM 500 C LYS A 786 18.457 5.326 6.556 1.00 0.00 C ATOM 501 O LYS A 786 19.499 5.980 6.508 1.00 0.00 O ATOM 502 CB LYS A 786 16.282 6.560 6.493 1.00 0.00 C ATOM 503 CG LYS A 786 16.055 7.942 5.904 1.00 0.00 C ATOM 504 CD LYS A 786 14.680 8.059 5.266 1.00 0.00 C ATOM 505 CE LYS A 786 13.590 8.227 6.313 1.00 0.00 C ATOM 506 NZ LYS A 786 13.096 9.628 6.385 1.00 0.00 N ATOM 0 H LYS A 786 15.625 4.399 5.499 1.00 0.00 H new ATOM 0 HA LYS A 786 17.621 6.277 4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 786 15.326 6.041 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 786 16.658 6.666 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 786 16.159 8.693 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 786 16.822 8.151 5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 786 14.665 8.910 4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 786 14.478 7.169 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 786 12.759 7.561 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 786 13.975 7.928 7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 12.354 9.698 7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 13.883 10.261 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 12.705 9.906 5.462 1.00 0.00 H new ATOM 520 N ALA A 787 18.306 4.273 7.350 1.00 0.00 N ATOM 521 CA ALA A 787 19.384 3.813 8.218 1.00 0.00 C ATOM 522 C ALA A 787 20.369 2.933 7.453 1.00 0.00 C ATOM 523 O ALA A 787 21.466 2.645 7.934 1.00 0.00 O ATOM 524 CB ALA A 787 18.818 3.060 9.411 1.00 0.00 C ATOM 0 H ALA A 787 17.450 3.722 7.411 1.00 0.00 H new ATOM 0 HA ALA A 787 19.924 4.689 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 787 19.635 2.723 10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 787 18.162 3.719 9.979 1.00 0.00 H new ATOM 0 HB3 ALA A 787 18.251 2.197 9.061 1.00 0.00 H new ATOM 530 N HIS A 788 19.976 2.514 6.258 1.00 0.00 N ATOM 531 CA HIS A 788 20.807 1.639 5.445 1.00 0.00 C ATOM 532 C HIS A 788 21.067 2.260 4.076 1.00 0.00 C ATOM 533 O HIS A 788 21.484 3.418 3.998 1.00 0.00 O ATOM 534 CB HIS A 788 20.149 0.268 5.292 1.00 0.00 C ATOM 535 CG HIS A 788 20.439 -0.661 6.426 1.00 0.00 C ATOM 536 ND1 HIS A 788 21.711 -1.059 6.764 1.00 0.00 N ATOM 537 CD2 HIS A 788 19.610 -1.284 7.293 1.00 0.00 C ATOM 538 CE1 HIS A 788 21.650 -1.890 7.785 1.00 0.00 C ATOM 539 NE2 HIS A 788 20.387 -2.045 8.128 1.00 0.00 N ATOM 0 H HIS A 788 19.085 2.767 5.830 1.00 0.00 H new ATOM 0 HA HIS A 788 21.764 1.511 5.950 1.00 0.00 H new ATOM 0 HB2 HIS A 788 19.070 0.399 5.206 1.00 0.00 H new ATOM 0 HB3 HIS A 788 20.490 -0.188 4.362 1.00 0.00 H new ATOM 0 HD2 HIS A 788 18.534 -1.198 7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 788 22.495 -2.365 8.262 1.00 0.00 H new ATOM 0 HE2 HIS A 788 20.045 -2.633 8.888 1.00 0.00 H new ATOM 548 N ALA A 789 20.806 1.492 3.010 1.00 0.00 N ATOM 549 CA ALA A 789 21.064 1.937 1.639 1.00 0.00 C ATOM 550 C ALA A 789 22.491 2.426 1.498 1.00 0.00 C ATOM 551 O ALA A 789 22.732 3.604 1.217 1.00 0.00 O ATOM 552 CB ALA A 789 20.109 3.040 1.231 1.00 0.00 C ATOM 0 H ALA A 789 20.413 0.553 3.075 1.00 0.00 H new ATOM 0 HA ALA A 789 20.909 1.081 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 789 20.326 3.349 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 789 19.084 2.674 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 789 20.229 3.892 1.901 1.00 0.00 H new ATOM 558 N THR A 790 23.437 1.534 1.697 1.00 0.00 N ATOM 559 CA THR A 790 24.827 1.924 1.717 1.00 0.00 C ATOM 560 C THR A 790 25.390 2.048 0.305 1.00 0.00 C ATOM 561 O THR A 790 26.337 1.355 -0.072 1.00 0.00 O ATOM 562 CB THR A 790 25.664 0.930 2.534 1.00 0.00 C ATOM 563 OG1 THR A 790 24.799 -0.053 3.120 1.00 0.00 O ATOM 564 CG2 THR A 790 26.443 1.645 3.628 1.00 0.00 C ATOM 0 H THR A 790 23.269 0.539 1.846 1.00 0.00 H new ATOM 0 HA THR A 790 24.884 2.903 2.194 1.00 0.00 H new ATOM 0 HB THR A 790 26.377 0.446 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 790 25.022 -0.939 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 790 27.028 0.919 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 790 27.112 2.379 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 790 25.748 2.151 4.298 1.00 0.00 H new ATOM 572 N GLY A 791 24.786 2.932 -0.465 1.00 0.00 N ATOM 573 CA GLY A 791 25.238 3.204 -1.805 1.00 0.00 C ATOM 574 C GLY A 791 24.942 4.630 -2.195 1.00 0.00 C ATOM 575 O GLY A 791 23.785 4.992 -2.414 1.00 0.00 O ATOM 0 H GLY A 791 23.973 3.476 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 791 26.310 3.019 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 791 24.750 2.523 -2.503 1.00 0.00 H new ATOM 579 N ALA A 792 25.980 5.450 -2.247 1.00 0.00 N ATOM 580 CA ALA A 792 25.830 6.852 -2.607 1.00 0.00 C ATOM 581 C ALA A 792 25.502 6.997 -4.089 1.00 0.00 C ATOM 582 O ALA A 792 26.385 7.243 -4.912 1.00 0.00 O ATOM 583 CB ALA A 792 27.094 7.624 -2.256 1.00 0.00 C ATOM 0 H ALA A 792 26.939 5.168 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 792 25.000 7.269 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 792 26.969 8.671 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 792 27.280 7.549 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 792 27.940 7.205 -2.801 1.00 0.00 H new ATOM 589 N GLY A 793 24.233 6.811 -4.427 1.00 0.00 N ATOM 590 CA GLY A 793 23.805 6.937 -5.804 1.00 0.00 C ATOM 591 C GLY A 793 22.359 6.522 -6.007 1.00 0.00 C ATOM 592 O GLY A 793 21.453 7.348 -5.886 1.00 0.00 O ATOM 0 H GLY A 793 23.491 6.574 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 793 23.931 7.971 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 793 24.447 6.325 -6.437 1.00 0.00 H new ATOM 596 N PRO A 794 22.108 5.234 -6.291 1.00 0.00 N ATOM 597 CA PRO A 794 20.770 4.733 -6.623 1.00 0.00 C ATOM 598 C PRO A 794 19.902 4.457 -5.394 1.00 0.00 C ATOM 599 O PRO A 794 19.221 3.431 -5.317 1.00 0.00 O ATOM 600 CB PRO A 794 21.078 3.434 -7.364 1.00 0.00 C ATOM 601 CG PRO A 794 22.340 2.937 -6.744 1.00 0.00 C ATOM 602 CD PRO A 794 23.116 4.155 -6.310 1.00 0.00 C ATOM 0 HA PRO A 794 20.194 5.459 -7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 794 20.270 2.712 -7.251 1.00 0.00 H new ATOM 0 HB3 PRO A 794 21.203 3.607 -8.433 1.00 0.00 H new ATOM 0 HG2 PRO A 794 22.125 2.291 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 794 22.915 2.345 -7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 794 23.566 4.012 -5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 794 23.927 4.379 -7.003 1.00 0.00 H new ATOM 610 N ALA A 795 19.916 5.380 -4.445 1.00 0.00 N ATOM 611 CA ALA A 795 19.125 5.234 -3.233 1.00 0.00 C ATOM 612 C ALA A 795 18.218 6.447 -3.029 1.00 0.00 C ATOM 613 O ALA A 795 17.068 6.453 -3.475 1.00 0.00 O ATOM 614 CB ALA A 795 20.034 5.021 -2.033 1.00 0.00 C ATOM 0 H ALA A 795 20.466 6.238 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 795 18.487 4.356 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 795 19.429 4.913 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 795 20.627 4.119 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 795 20.698 5.878 -1.923 1.00 0.00 H new ATOM 620 N GLY A 796 18.739 7.472 -2.357 1.00 0.00 N ATOM 621 CA GLY A 796 17.965 8.679 -2.107 1.00 0.00 C ATOM 622 C GLY A 796 16.700 8.400 -1.317 1.00 0.00 C ATOM 623 O GLY A 796 15.712 9.123 -1.446 1.00 0.00 O ATOM 0 H GLY A 796 19.687 7.488 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 796 18.580 9.396 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 796 17.702 9.142 -3.058 1.00 0.00 H new ATOM 627 N ARG A 797 16.753 7.346 -0.491 1.00 0.00 N ATOM 628 CA ARG A 797 15.610 6.861 0.301 1.00 0.00 C ATOM 629 C ARG A 797 14.325 6.766 -0.523 1.00 0.00 C ATOM 630 O ARG A 797 13.229 6.809 0.039 1.00 0.00 O ATOM 631 CB ARG A 797 15.356 7.728 1.549 1.00 0.00 C ATOM 632 CG ARG A 797 16.373 8.833 1.787 1.00 0.00 C ATOM 633 CD ARG A 797 15.745 10.208 1.619 1.00 0.00 C ATOM 634 NE ARG A 797 16.562 11.258 2.218 1.00 0.00 N ATOM 635 CZ ARG A 797 16.222 12.545 2.248 1.00 0.00 C ATOM 636 NH1 ARG A 797 15.081 12.956 1.711 1.00 0.00 N ATOM 637 NH2 ARG A 797 17.031 13.424 2.819 1.00 0.00 N ATOM 0 H ARG A 797 17.602 6.798 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 797 15.887 5.857 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 797 14.367 8.178 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 797 15.336 7.079 2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 797 16.786 8.740 2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 797 17.203 8.722 1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 797 15.607 10.417 0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 797 14.756 10.213 2.076 1.00 0.00 H new ATOM 0 HE ARG A 797 17.450 10.989 2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 797 14.454 12.284 1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 797 14.831 13.944 1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 797 17.910 13.114 3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 797 16.775 14.411 2.845 1.00 0.00 H new ATOM 651 N TYR A 798 14.470 6.620 -1.846 1.00 0.00 N ATOM 652 CA TYR A 798 13.328 6.550 -2.761 1.00 0.00 C ATOM 653 C TYR A 798 12.311 7.634 -2.419 1.00 0.00 C ATOM 654 O TYR A 798 11.129 7.357 -2.193 1.00 0.00 O ATOM 655 CB TYR A 798 12.696 5.155 -2.711 1.00 0.00 C ATOM 656 CG TYR A 798 13.722 4.043 -2.761 1.00 0.00 C ATOM 657 CD1 TYR A 798 14.400 3.751 -3.937 1.00 0.00 C ATOM 658 CD2 TYR A 798 14.025 3.301 -1.626 1.00 0.00 C ATOM 659 CE1 TYR A 798 15.349 2.747 -3.983 1.00 0.00 C ATOM 660 CE2 TYR A 798 14.975 2.298 -1.664 1.00 0.00 C ATOM 661 CZ TYR A 798 15.633 2.024 -2.844 1.00 0.00 C ATOM 662 OH TYR A 798 16.580 1.024 -2.888 1.00 0.00 O ATOM 0 H TYR A 798 15.376 6.548 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 798 13.674 6.726 -3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 798 12.108 5.060 -1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 798 12.006 5.044 -3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 798 14.182 4.318 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 798 13.510 3.511 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 798 15.865 2.530 -4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 798 15.201 1.731 -0.773 1.00 0.00 H new ATOM 0 HH TYR A 798 16.662 0.612 -2.003 1.00 0.00 H new ATOM 672 N ASP A 799 12.803 8.869 -2.388 1.00 0.00 N ATOM 673 CA ASP A 799 12.048 10.021 -1.904 1.00 0.00 C ATOM 674 C ASP A 799 10.711 10.184 -2.613 1.00 0.00 C ATOM 675 O ASP A 799 9.685 10.389 -1.968 1.00 0.00 O ATOM 676 CB ASP A 799 12.876 11.295 -2.072 1.00 0.00 C ATOM 677 CG ASP A 799 12.762 12.220 -0.879 1.00 0.00 C ATOM 678 OD1 ASP A 799 13.131 11.804 0.239 1.00 0.00 O ATOM 679 OD2 ASP A 799 12.303 13.370 -1.052 1.00 0.00 O ATOM 0 H ASP A 799 13.746 9.101 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 799 11.838 9.845 -0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 799 13.922 11.028 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 799 12.549 11.821 -2.969 1.00 0.00 H new ATOM 684 N GLN A 800 10.716 10.085 -3.935 1.00 0.00 N ATOM 685 CA GLN A 800 9.498 10.286 -4.708 1.00 0.00 C ATOM 686 C GLN A 800 8.564 9.091 -4.570 1.00 0.00 C ATOM 687 O GLN A 800 7.359 9.260 -4.393 1.00 0.00 O ATOM 688 CB GLN A 800 9.817 10.539 -6.184 1.00 0.00 C ATOM 689 CG GLN A 800 8.671 11.184 -6.958 1.00 0.00 C ATOM 690 CD GLN A 800 8.034 12.346 -6.214 1.00 0.00 C ATOM 691 OE1 GLN A 800 8.707 13.084 -5.494 1.00 0.00 O ATOM 692 NE2 GLN A 800 6.732 12.520 -6.381 1.00 0.00 N ATOM 0 H GLN A 800 11.543 9.868 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 800 8.996 11.168 -4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 800 10.696 11.180 -6.252 1.00 0.00 H new ATOM 0 HB3 GLN A 800 10.076 9.592 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 800 9.042 11.535 -7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 800 7.910 10.431 -7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 800 6.206 11.889 -6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 800 6.255 13.286 -5.905 1.00 0.00 H new ATOM 701 N ALA A 801 9.124 7.889 -4.639 1.00 0.00 N ATOM 702 CA ALA A 801 8.334 6.669 -4.528 1.00 0.00 C ATOM 703 C ALA A 801 7.583 6.627 -3.201 1.00 0.00 C ATOM 704 O ALA A 801 6.367 6.432 -3.171 1.00 0.00 O ATOM 705 CB ALA A 801 9.225 5.445 -4.677 1.00 0.00 C ATOM 0 H ALA A 801 10.123 7.733 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 801 7.599 6.663 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.620 4.542 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.711 5.465 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.983 5.449 -3.894 1.00 0.00 H new ATOM 711 N THR A 802 8.309 6.844 -2.110 1.00 0.00 N ATOM 712 CA THR A 802 7.720 6.808 -0.778 1.00 0.00 C ATOM 713 C THR A 802 6.686 7.919 -0.614 1.00 0.00 C ATOM 714 O THR A 802 5.598 7.699 -0.076 1.00 0.00 O ATOM 715 CB THR A 802 8.800 6.947 0.311 1.00 0.00 C ATOM 716 OG1 THR A 802 9.698 8.016 -0.020 1.00 0.00 O ATOM 717 CG2 THR A 802 9.582 5.651 0.460 1.00 0.00 C ATOM 0 H THR A 802 9.309 7.047 -2.123 1.00 0.00 H new ATOM 0 HA THR A 802 7.229 5.842 -0.664 1.00 0.00 H new ATOM 0 HB THR A 802 8.306 7.169 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.347 7.704 -0.685 1.00 0.00 H new ATOM 0 HG21 THR A 802 10.340 5.770 1.234 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.902 4.846 0.739 1.00 0.00 H new ATOM 0 HG23 THR A 802 10.065 5.407 -0.486 1.00 0.00 H new ATOM 725 N ASP A 803 7.034 9.106 -1.102 1.00 0.00 N ATOM 726 CA ASP A 803 6.141 10.257 -1.049 1.00 0.00 C ATOM 727 C ASP A 803 4.835 9.967 -1.776 1.00 0.00 C ATOM 728 O ASP A 803 3.752 10.238 -1.257 1.00 0.00 O ATOM 729 CB ASP A 803 6.811 11.477 -1.676 1.00 0.00 C ATOM 730 CG ASP A 803 6.025 12.751 -1.449 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.488 12.932 -0.342 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.952 13.585 -2.376 1.00 0.00 O ATOM 0 H ASP A 803 7.935 9.296 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 803 5.921 10.462 -0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.812 11.592 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.929 11.312 -2.747 1.00 0.00 H new ATOM 737 N THR A 804 4.945 9.401 -2.971 1.00 0.00 N ATOM 738 CA THR A 804 3.778 9.082 -3.778 1.00 0.00 C ATOM 739 C THR A 804 2.849 8.126 -3.035 1.00 0.00 C ATOM 740 O THR A 804 1.651 8.382 -2.926 1.00 0.00 O ATOM 741 CB THR A 804 4.185 8.467 -5.133 1.00 0.00 C ATOM 742 OG1 THR A 804 5.145 9.312 -5.781 1.00 0.00 O ATOM 743 CG2 THR A 804 2.975 8.287 -6.037 1.00 0.00 C ATOM 0 H THR A 804 5.835 9.153 -3.403 1.00 0.00 H new ATOM 0 HA THR A 804 3.248 10.015 -3.967 1.00 0.00 H new ATOM 0 HB THR A 804 4.624 7.487 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.031 9.161 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.291 7.852 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.256 7.624 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.510 9.256 -6.219 1.00 0.00 H new ATOM 751 N ILE A 805 3.413 7.048 -2.495 1.00 0.00 N ATOM 752 CA ILE A 805 2.626 6.062 -1.764 1.00 0.00 C ATOM 753 C ILE A 805 1.878 6.715 -0.608 1.00 0.00 C ATOM 754 O ILE A 805 0.651 6.650 -0.554 1.00 0.00 O ATOM 755 CB ILE A 805 3.506 4.908 -1.234 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.831 3.940 -2.365 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.826 4.166 -0.087 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.288 3.573 -2.430 1.00 0.00 C ATOM 0 H ILE A 805 4.409 6.837 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 805 1.904 5.644 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 805 4.430 5.340 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.240 3.033 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.533 4.386 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.474 3.361 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.636 4.859 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.881 3.747 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.453 2.881 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.883 4.473 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.586 3.098 -1.495 1.00 0.00 H new ATOM 770 N LEU A 806 2.616 7.365 0.291 1.00 0.00 N ATOM 771 CA LEU A 806 2.016 7.995 1.469 1.00 0.00 C ATOM 772 C LEU A 806 0.912 8.969 1.080 1.00 0.00 C ATOM 773 O LEU A 806 -0.174 8.936 1.655 1.00 0.00 O ATOM 774 CB LEU A 806 3.069 8.729 2.299 1.00 0.00 C ATOM 775 CG LEU A 806 3.168 8.282 3.761 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.196 9.119 4.505 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.811 8.377 4.447 1.00 0.00 C ATOM 0 H LEU A 806 3.629 7.470 0.227 1.00 0.00 H new ATOM 0 HA LEU A 806 1.582 7.195 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.042 8.593 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.849 9.796 2.275 1.00 0.00 H new ATOM 0 HG LEU A 806 3.489 7.241 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.253 8.788 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.171 9.002 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.902 10.168 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.904 8.055 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.460 9.408 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.097 7.736 3.931 1.00 0.00 H new ATOM 789 N THR A 807 1.186 9.824 0.101 1.00 0.00 N ATOM 790 CA THR A 807 0.198 10.789 -0.360 1.00 0.00 C ATOM 791 C THR A 807 -1.055 10.082 -0.870 1.00 0.00 C ATOM 792 O THR A 807 -2.165 10.567 -0.688 1.00 0.00 O ATOM 793 CB THR A 807 0.771 11.700 -1.463 1.00 0.00 C ATOM 794 OG1 THR A 807 2.055 12.202 -1.062 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.161 12.870 -1.748 1.00 0.00 C ATOM 0 H THR A 807 2.081 9.868 -0.386 1.00 0.00 H new ATOM 0 HA THR A 807 -0.069 11.412 0.494 1.00 0.00 H new ATOM 0 HB THR A 807 0.872 11.107 -2.372 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.755 11.583 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.269 13.496 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.129 12.492 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.291 13.461 -0.841 1.00 0.00 H new ATOM 803 N VAL A 808 -0.871 8.918 -1.481 1.00 0.00 N ATOM 804 CA VAL A 808 -1.990 8.143 -1.995 1.00 0.00 C ATOM 805 C VAL A 808 -2.763 7.469 -0.860 1.00 0.00 C ATOM 806 O VAL A 808 -3.992 7.533 -0.818 1.00 0.00 O ATOM 807 CB VAL A 808 -1.522 7.080 -3.009 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.624 6.075 -3.284 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.071 7.740 -4.302 1.00 0.00 C ATOM 0 H VAL A 808 0.043 8.491 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.653 8.841 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.675 6.548 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.271 5.335 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.901 5.576 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.493 6.591 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.744 6.975 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.901 8.300 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.244 8.419 -4.095 1.00 0.00 H new ATOM 819 N THR A 809 -2.051 6.834 0.067 1.00 0.00 N ATOM 820 CA THR A 809 -2.703 6.183 1.199 1.00 0.00 C ATOM 821 C THR A 809 -3.432 7.218 2.047 1.00 0.00 C ATOM 822 O THR A 809 -4.576 7.013 2.460 1.00 0.00 O ATOM 823 CB THR A 809 -1.698 5.415 2.080 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.471 5.214 1.372 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.270 4.070 2.496 1.00 0.00 C ATOM 0 H THR A 809 -1.034 6.757 0.058 1.00 0.00 H new ATOM 0 HA THR A 809 -3.415 5.463 0.794 1.00 0.00 H new ATOM 0 HB THR A 809 -1.505 6.009 2.973 1.00 0.00 H new ATOM 0 HG1 THR A 809 0.160 4.727 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.546 3.543 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.189 4.225 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.486 3.476 1.608 1.00 0.00 H new ATOM 833 N GLU A 810 -2.766 8.342 2.274 1.00 0.00 N ATOM 834 CA GLU A 810 -3.358 9.461 2.987 1.00 0.00 C ATOM 835 C GLU A 810 -4.547 10.010 2.196 1.00 0.00 C ATOM 836 O GLU A 810 -5.569 10.391 2.770 1.00 0.00 O ATOM 837 CB GLU A 810 -2.290 10.541 3.222 1.00 0.00 C ATOM 838 CG GLU A 810 -2.845 11.907 3.589 1.00 0.00 C ATOM 839 CD GLU A 810 -2.176 12.487 4.816 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.136 13.163 4.669 1.00 0.00 O ATOM 841 OE2 GLU A 810 -2.680 12.261 5.936 1.00 0.00 O ATOM 0 H GLU A 810 -1.805 8.502 1.970 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.727 9.130 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.624 10.208 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.686 10.639 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.712 12.589 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.917 11.825 3.767 1.00 0.00 H new ATOM 848 N ASN A 811 -4.415 10.016 0.872 1.00 0.00 N ATOM 849 CA ASN A 811 -5.488 10.458 -0.016 1.00 0.00 C ATOM 850 C ASN A 811 -6.721 9.586 0.153 1.00 0.00 C ATOM 851 O ASN A 811 -7.827 10.094 0.283 1.00 0.00 O ATOM 852 CB ASN A 811 -5.042 10.406 -1.478 1.00 0.00 C ATOM 853 CG ASN A 811 -4.870 11.777 -2.095 1.00 0.00 C ATOM 854 OD1 ASN A 811 -5.214 12.796 -1.492 1.00 0.00 O ATOM 855 ND2 ASN A 811 -4.346 11.808 -3.311 1.00 0.00 N ATOM 0 H ASN A 811 -3.569 9.717 0.387 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.730 11.486 0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.099 9.863 -1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.775 9.844 -2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.213 12.701 -3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -4.076 10.939 -3.772 1.00 0.00 H new ATOM 862 N ILE A 812 -6.527 8.272 0.150 1.00 0.00 N ATOM 863 CA ILE A 812 -7.637 7.335 0.282 1.00 0.00 C ATOM 864 C ILE A 812 -8.281 7.447 1.663 1.00 0.00 C ATOM 865 O ILE A 812 -9.499 7.353 1.796 1.00 0.00 O ATOM 866 CB ILE A 812 -7.190 5.877 0.014 1.00 0.00 C ATOM 867 CG1 ILE A 812 -7.040 5.648 -1.491 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.177 4.874 0.603 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.749 4.961 -1.876 1.00 0.00 C ATOM 0 H ILE A 812 -5.612 7.831 0.058 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.377 7.601 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.228 5.723 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.879 5.049 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -7.097 6.609 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.833 3.861 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.246 5.021 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.159 5.022 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.714 4.833 -2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.903 5.569 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.698 3.985 -1.393 1.00 0.00 H new ATOM 881 N PHE A 813 -7.462 7.673 2.682 1.00 0.00 N ATOM 882 CA PHE A 813 -7.976 7.896 4.030 1.00 0.00 C ATOM 883 C PHE A 813 -8.902 9.113 4.050 1.00 0.00 C ATOM 884 O PHE A 813 -9.857 9.175 4.827 1.00 0.00 O ATOM 885 CB PHE A 813 -6.823 8.103 5.015 1.00 0.00 C ATOM 886 CG PHE A 813 -6.315 6.830 5.630 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.193 5.909 6.178 1.00 0.00 C ATOM 888 CD2 PHE A 813 -4.958 6.557 5.660 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.726 4.739 6.745 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.484 5.388 6.224 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.370 4.479 6.767 1.00 0.00 C ATOM 0 H PHE A 813 -6.446 7.707 2.604 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.542 7.015 4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.001 8.599 4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.152 8.773 5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.254 6.108 6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.262 7.266 5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.420 4.029 7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.423 5.186 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.003 3.565 7.209 1.00 0.00 H new ATOM 901 N SER A 814 -8.615 10.065 3.173 1.00 0.00 N ATOM 902 CA SER A 814 -9.400 11.287 3.071 1.00 0.00 C ATOM 903 C SER A 814 -10.576 11.107 2.108 1.00 0.00 C ATOM 904 O SER A 814 -11.657 11.652 2.326 1.00 0.00 O ATOM 905 CB SER A 814 -8.499 12.430 2.602 1.00 0.00 C ATOM 906 OG SER A 814 -7.237 12.380 3.256 1.00 0.00 O ATOM 0 H SER A 814 -7.836 10.013 2.516 1.00 0.00 H new ATOM 0 HA SER A 814 -9.808 11.525 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.357 12.368 1.523 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.981 13.386 2.805 1.00 0.00 H new ATOM 0 HG SER A 814 -6.669 11.711 2.820 1.00 0.00 H new ATOM 912 N SER A 815 -10.366 10.324 1.057 1.00 0.00 N ATOM 913 CA SER A 815 -11.390 10.104 0.045 1.00 0.00 C ATOM 914 C SER A 815 -12.359 9.009 0.475 1.00 0.00 C ATOM 915 O SER A 815 -13.310 8.706 -0.241 1.00 0.00 O ATOM 916 CB SER A 815 -10.742 9.733 -1.293 1.00 0.00 C ATOM 917 OG SER A 815 -9.799 8.693 -1.132 1.00 0.00 O ATOM 0 H SER A 815 -9.491 9.829 0.884 1.00 0.00 H new ATOM 0 HA SER A 815 -11.951 11.031 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 815 -11.512 9.423 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 815 -10.252 10.609 -1.718 1.00 0.00 H new ATOM 0 HG SER A 815 -8.988 9.049 -0.712 1.00 0.00 H new ATOM 923 N MET A 816 -12.095 8.418 1.642 1.00 0.00 N ATOM 924 CA MET A 816 -12.942 7.370 2.210 1.00 0.00 C ATOM 925 C MET A 816 -14.408 7.776 2.151 1.00 0.00 C ATOM 926 O MET A 816 -14.847 8.670 2.875 1.00 0.00 O ATOM 927 CB MET A 816 -12.538 7.088 3.659 1.00 0.00 C ATOM 928 CG MET A 816 -11.964 5.697 3.870 1.00 0.00 C ATOM 929 SD MET A 816 -10.899 5.597 5.323 1.00 0.00 S ATOM 930 CE MET A 816 -10.231 3.948 5.130 1.00 0.00 C ATOM 0 H MET A 816 -11.288 8.653 2.219 1.00 0.00 H new ATOM 0 HA MET A 816 -12.806 6.463 1.620 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.801 7.828 3.973 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.409 7.214 4.302 1.00 0.00 H new ATOM 0 HG2 MET A 816 -12.781 4.983 3.974 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.396 5.405 2.987 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.545 3.328 5.970 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.598 3.513 4.201 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.142 3.997 5.102 1.00 0.00 H new ATOM 940 N GLY A 817 -15.145 7.127 1.268 1.00 0.00 N ATOM 941 CA GLY A 817 -16.520 7.496 1.025 1.00 0.00 C ATOM 942 C GLY A 817 -16.784 7.624 -0.457 1.00 0.00 C ATOM 943 O GLY A 817 -17.785 7.121 -0.969 1.00 0.00 O ATOM 0 H GLY A 817 -14.811 6.342 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.184 6.746 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.742 8.440 1.522 1.00 0.00 H new ATOM 947 N ASP A 818 -15.863 8.282 -1.152 1.00 0.00 N ATOM 948 CA ASP A 818 -15.928 8.384 -2.602 1.00 0.00 C ATOM 949 C ASP A 818 -15.233 7.186 -3.221 1.00 0.00 C ATOM 950 O ASP A 818 -14.010 7.169 -3.376 1.00 0.00 O ATOM 951 CB ASP A 818 -15.286 9.678 -3.109 1.00 0.00 C ATOM 952 CG ASP A 818 -15.473 9.857 -4.607 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.634 9.851 -5.072 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.467 9.998 -5.330 1.00 0.00 O ATOM 0 H ASP A 818 -15.062 8.753 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.978 8.401 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.722 10.529 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.221 9.671 -2.875 1.00 0.00 H new ATOM 959 N ALA A 819 -16.025 6.179 -3.554 1.00 0.00 N ATOM 960 CA ALA A 819 -15.510 4.934 -4.106 1.00 0.00 C ATOM 961 C ALA A 819 -14.677 5.182 -5.356 1.00 0.00 C ATOM 962 O ALA A 819 -13.640 4.550 -5.553 1.00 0.00 O ATOM 963 CB ALA A 819 -16.661 3.998 -4.422 1.00 0.00 C ATOM 0 H ALA A 819 -17.039 6.200 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.862 4.474 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.271 3.068 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.218 3.785 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.323 4.468 -5.149 1.00 0.00 H new ATOM 969 N GLY A 820 -15.134 6.112 -6.190 1.00 0.00 N ATOM 970 CA GLY A 820 -14.426 6.430 -7.415 1.00 0.00 C ATOM 971 C GLY A 820 -12.979 6.822 -7.170 1.00 0.00 C ATOM 972 O GLY A 820 -12.065 6.210 -7.730 1.00 0.00 O ATOM 0 H GLY A 820 -15.986 6.652 -6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.457 5.568 -8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.938 7.246 -7.925 1.00 0.00 H new ATOM 976 N GLU A 821 -12.768 7.827 -6.324 1.00 0.00 N ATOM 977 CA GLU A 821 -11.423 8.288 -6.003 1.00 0.00 C ATOM 978 C GLU A 821 -10.639 7.208 -5.280 1.00 0.00 C ATOM 979 O GLU A 821 -9.467 6.984 -5.571 1.00 0.00 O ATOM 980 CB GLU A 821 -11.471 9.547 -5.137 1.00 0.00 C ATOM 981 CG GLU A 821 -10.278 10.467 -5.339 1.00 0.00 C ATOM 982 CD GLU A 821 -10.005 10.740 -6.802 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.949 11.132 -7.522 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.851 10.561 -7.239 1.00 0.00 O ATOM 0 H GLU A 821 -13.513 8.337 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.923 8.521 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.386 10.097 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.521 9.255 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.458 11.410 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.395 10.018 -4.884 1.00 0.00 H new ATOM 991 N MET A 822 -11.297 6.536 -4.347 1.00 0.00 N ATOM 992 CA MET A 822 -10.655 5.497 -3.555 1.00 0.00 C ATOM 993 C MET A 822 -10.061 4.415 -4.451 1.00 0.00 C ATOM 994 O MET A 822 -8.915 4.007 -4.268 1.00 0.00 O ATOM 995 CB MET A 822 -11.655 4.883 -2.582 1.00 0.00 C ATOM 996 CG MET A 822 -11.760 5.631 -1.263 1.00 0.00 C ATOM 997 SD MET A 822 -13.010 4.929 -0.170 1.00 0.00 S ATOM 998 CE MET A 822 -12.797 3.185 -0.511 1.00 0.00 C ATOM 0 H MET A 822 -12.279 6.692 -4.119 1.00 0.00 H new ATOM 0 HA MET A 822 -9.843 5.954 -2.989 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.637 4.855 -3.053 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.368 3.851 -2.383 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.792 5.614 -0.761 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.999 6.676 -1.460 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.369 2.601 0.210 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.151 2.965 -1.518 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.741 2.925 -0.433 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.837 3.967 -5.431 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.368 2.963 -6.377 1.00 0.00 C ATOM 1010 C VAL A 823 -9.293 3.550 -7.291 1.00 0.00 C ATOM 1011 O VAL A 823 -8.286 2.902 -7.578 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.525 2.406 -7.235 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -11.002 1.460 -8.305 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.547 1.701 -6.358 1.00 0.00 C ATOM 0 H VAL A 823 -11.793 4.283 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.945 2.143 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 823 -12.012 3.245 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.836 1.082 -8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -10.310 1.994 -8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.485 0.626 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -13.355 1.315 -6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -12.067 0.875 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.952 2.406 -5.633 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.513 4.785 -7.731 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.567 5.477 -8.604 1.00 0.00 C ATOM 1026 C ARG A 824 -7.197 5.582 -7.945 1.00 0.00 C ATOM 1027 O ARG A 824 -6.191 5.155 -8.511 1.00 0.00 O ATOM 1028 CB ARG A 824 -9.092 6.873 -8.949 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.313 7.564 -10.055 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.634 8.826 -9.550 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.278 9.731 -10.639 1.00 0.00 N ATOM 1032 CZ ARG A 824 -7.492 11.045 -10.614 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -8.031 11.616 -9.542 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -7.170 11.794 -11.662 1.00 0.00 N ATOM 0 H ARG A 824 -10.342 5.331 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.463 4.898 -9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -10.137 6.794 -9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -9.062 7.494 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.564 6.881 -10.455 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.986 7.814 -10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.297 9.340 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.736 8.556 -8.995 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.839 9.333 -11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -8.283 11.047 -8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -8.193 12.623 -9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -6.757 11.363 -12.489 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -7.335 12.800 -11.640 1.00 0.00 H new ATOM 1048 N GLN A 825 -7.170 6.134 -6.739 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.922 6.327 -6.016 1.00 0.00 C ATOM 1050 C GLN A 825 -5.274 4.991 -5.674 1.00 0.00 C ATOM 1051 O GLN A 825 -4.053 4.874 -5.666 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.157 7.146 -4.747 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.831 8.485 -5.002 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.858 9.565 -5.434 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.690 9.562 -5.042 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.336 10.500 -6.241 1.00 0.00 N ATOM 0 H GLN A 825 -8.000 6.456 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.241 6.878 -6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.771 6.565 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.200 7.318 -4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.593 8.361 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.343 8.806 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.310 10.465 -6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.730 11.255 -6.562 1.00 0.00 H new ATOM 1065 N ALA A 826 -6.096 3.979 -5.411 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.594 2.644 -5.093 1.00 0.00 C ATOM 1067 C ALA A 826 -4.707 2.106 -6.214 1.00 0.00 C ATOM 1068 O ALA A 826 -3.688 1.463 -5.959 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.748 1.692 -4.824 1.00 0.00 C ATOM 0 H ALA A 826 -7.113 4.057 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.986 2.720 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.356 0.702 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.334 2.060 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.382 1.630 -5.708 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.087 2.384 -7.457 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.300 1.957 -8.610 1.00 0.00 C ATOM 1077 C ARG A 827 -2.977 2.711 -8.652 1.00 0.00 C ATOM 1078 O ARG A 827 -1.931 2.150 -8.983 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.069 2.194 -9.907 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.454 1.579 -9.916 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.412 2.407 -10.752 1.00 0.00 C ATOM 1082 NE ARG A 827 -8.633 1.675 -11.074 1.00 0.00 N ATOM 1083 CZ ARG A 827 -8.752 0.835 -12.100 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -7.722 0.608 -12.909 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -9.902 0.218 -12.315 1.00 0.00 N ATOM 0 H ARG A 827 -5.934 2.902 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.102 0.890 -8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.157 3.267 -10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.495 1.786 -10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.403 0.565 -10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.829 1.503 -8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.668 3.319 -10.213 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.918 2.711 -11.675 1.00 0.00 H new ATOM 0 HE ARG A 827 -9.447 1.816 -10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -6.832 1.079 -12.746 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -7.822 -0.037 -13.693 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -10.695 0.386 -11.696 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -9.996 -0.426 -13.100 1.00 0.00 H new ATOM 1099 N ILE A 828 -3.038 3.990 -8.305 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.848 4.826 -8.227 1.00 0.00 C ATOM 1101 C ILE A 828 -0.915 4.303 -7.136 1.00 0.00 C ATOM 1102 O ILE A 828 0.307 4.293 -7.295 1.00 0.00 O ATOM 1103 CB ILE A 828 -2.227 6.300 -7.949 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -3.176 6.808 -9.039 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.989 7.183 -7.871 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -4.178 7.828 -8.549 1.00 0.00 C ATOM 0 H ILE A 828 -3.905 4.473 -8.072 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.333 4.784 -9.187 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.731 6.347 -6.984 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.587 7.248 -9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.713 5.960 -9.464 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -1.288 8.213 -7.675 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -0.343 6.833 -7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.449 7.136 -8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.814 8.140 -9.377 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.793 7.386 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.650 8.694 -8.151 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.511 3.842 -6.039 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.763 3.220 -4.953 1.00 0.00 C ATOM 1120 C LEU A 829 -0.043 1.973 -5.457 1.00 0.00 C ATOM 1121 O LEU A 829 1.156 1.808 -5.240 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.714 2.849 -3.805 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.053 2.402 -2.494 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.238 3.168 -2.242 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.013 2.587 -1.328 1.00 0.00 C ATOM 0 H LEU A 829 -2.517 3.889 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.022 3.930 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.347 3.711 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.369 2.049 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.806 1.344 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.685 2.831 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.934 2.988 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 829 0.022 4.234 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.530 2.266 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.288 3.639 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.909 1.989 -1.496 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.783 1.118 -6.156 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.232 -0.119 -6.695 1.00 0.00 C ATOM 1139 C ALA A 830 0.963 0.156 -7.601 1.00 0.00 C ATOM 1140 O ALA A 830 1.995 -0.509 -7.497 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.302 -0.892 -7.451 1.00 0.00 C ATOM 0 H ALA A 830 -1.771 1.261 -6.363 1.00 0.00 H new ATOM 0 HA ALA A 830 0.114 -0.724 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.874 -1.813 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.122 -1.134 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.678 -0.283 -8.274 1.00 0.00 H new ATOM 1147 N GLN A 831 0.822 1.143 -8.478 1.00 0.00 N ATOM 1148 CA GLN A 831 1.886 1.506 -9.408 1.00 0.00 C ATOM 1149 C GLN A 831 3.123 2.002 -8.660 1.00 0.00 C ATOM 1150 O GLN A 831 4.251 1.619 -8.983 1.00 0.00 O ATOM 1151 CB GLN A 831 1.394 2.584 -10.377 1.00 0.00 C ATOM 1152 CG GLN A 831 2.104 2.566 -11.722 1.00 0.00 C ATOM 1153 CD GLN A 831 1.730 1.366 -12.571 1.00 0.00 C ATOM 1154 OE1 GLN A 831 0.793 0.630 -12.257 1.00 0.00 O ATOM 1155 NE2 GLN A 831 2.464 1.156 -13.654 1.00 0.00 N ATOM 0 H GLN A 831 -0.022 1.709 -8.565 1.00 0.00 H new ATOM 0 HA GLN A 831 2.162 0.615 -9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.324 2.454 -10.539 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.530 3.563 -9.917 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.863 3.479 -12.266 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.182 2.567 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 831 3.232 1.788 -13.880 1.00 0.00 H new ATOM 0 HE22 GLN A 831 2.261 0.362 -14.261 1.00 0.00 H new ATOM 1164 N ALA A 832 2.902 2.835 -7.651 1.00 0.00 N ATOM 1165 CA ALA A 832 3.994 3.418 -6.884 1.00 0.00 C ATOM 1166 C ALA A 832 4.786 2.345 -6.139 1.00 0.00 C ATOM 1167 O ALA A 832 6.014 2.295 -6.229 1.00 0.00 O ATOM 1168 CB ALA A 832 3.459 4.455 -5.910 1.00 0.00 C ATOM 0 H ALA A 832 1.973 3.122 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 832 4.672 3.907 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.286 4.883 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.951 5.245 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.756 3.982 -5.225 1.00 0.00 H new ATOM 1174 N THR A 833 4.083 1.480 -5.417 1.00 0.00 N ATOM 1175 CA THR A 833 4.736 0.425 -4.657 1.00 0.00 C ATOM 1176 C THR A 833 5.428 -0.584 -5.574 1.00 0.00 C ATOM 1177 O THR A 833 6.460 -1.150 -5.215 1.00 0.00 O ATOM 1178 CB THR A 833 3.742 -0.312 -3.740 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.784 0.613 -3.216 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.473 -0.991 -2.593 1.00 0.00 C ATOM 0 H THR A 833 3.066 1.489 -5.343 1.00 0.00 H new ATOM 0 HA THR A 833 5.490 0.911 -4.038 1.00 0.00 H new ATOM 0 HB THR A 833 3.230 -1.073 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.156 0.869 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.753 -1.506 -1.957 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.186 -1.713 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.005 -0.242 -2.006 1.00 0.00 H new ATOM 1188 N SER A 834 4.869 -0.794 -6.762 1.00 0.00 N ATOM 1189 CA SER A 834 5.460 -1.711 -7.728 1.00 0.00 C ATOM 1190 C SER A 834 6.856 -1.239 -8.130 1.00 0.00 C ATOM 1191 O SER A 834 7.775 -2.047 -8.289 1.00 0.00 O ATOM 1192 CB SER A 834 4.564 -1.836 -8.961 1.00 0.00 C ATOM 1193 OG SER A 834 3.339 -2.477 -8.635 1.00 0.00 O ATOM 0 H SER A 834 4.010 -0.343 -7.077 1.00 0.00 H new ATOM 0 HA SER A 834 5.549 -2.692 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.363 -0.846 -9.371 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.081 -2.403 -9.735 1.00 0.00 H new ATOM 0 HG SER A 834 2.856 -1.942 -7.971 1.00 0.00 H new ATOM 1199 N ASP A 835 7.014 0.072 -8.272 1.00 0.00 N ATOM 1200 CA ASP A 835 8.311 0.648 -8.603 1.00 0.00 C ATOM 1201 C ASP A 835 9.206 0.676 -7.371 1.00 0.00 C ATOM 1202 O ASP A 835 10.404 0.403 -7.455 1.00 0.00 O ATOM 1203 CB ASP A 835 8.158 2.064 -9.161 1.00 0.00 C ATOM 1204 CG ASP A 835 9.468 2.616 -9.689 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.134 1.919 -10.491 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.845 3.743 -9.305 1.00 0.00 O ATOM 0 H ASP A 835 6.263 0.754 -8.163 1.00 0.00 H new ATOM 0 HA ASP A 835 8.770 0.022 -9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.419 2.059 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.777 2.722 -8.379 1.00 0.00 H new ATOM 1211 N LEU A 836 8.612 0.999 -6.226 1.00 0.00 N ATOM 1212 CA LEU A 836 9.344 1.064 -4.966 1.00 0.00 C ATOM 1213 C LEU A 836 9.969 -0.286 -4.627 1.00 0.00 C ATOM 1214 O LEU A 836 11.172 -0.377 -4.390 1.00 0.00 O ATOM 1215 CB LEU A 836 8.407 1.511 -3.836 1.00 0.00 C ATOM 1216 CG LEU A 836 8.926 1.289 -2.411 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.002 2.309 -2.071 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.782 1.368 -1.413 1.00 0.00 C ATOM 0 H LEU A 836 7.620 1.221 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 836 10.147 1.793 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.195 2.573 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.460 0.982 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 836 9.366 0.294 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.359 2.137 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.833 2.208 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.587 3.314 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.166 1.208 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.315 2.351 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.043 0.601 -1.645 1.00 0.00 H new ATOM 1230 N VAL A 837 9.151 -1.333 -4.646 1.00 0.00 N ATOM 1231 CA VAL A 837 9.603 -2.669 -4.279 1.00 0.00 C ATOM 1232 C VAL A 837 10.690 -3.158 -5.230 1.00 0.00 C ATOM 1233 O VAL A 837 11.705 -3.701 -4.796 1.00 0.00 O ATOM 1234 CB VAL A 837 8.427 -3.673 -4.264 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.923 -5.110 -4.166 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.479 -3.357 -3.117 1.00 0.00 C ATOM 0 H VAL A 837 8.168 -1.281 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 837 10.019 -2.607 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 837 7.888 -3.572 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.071 -5.789 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.558 -5.335 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.496 -5.235 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.656 -4.071 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.017 -3.425 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.084 -2.348 -3.239 1.00 0.00 H new ATOM 1246 N ASN A 838 10.486 -2.936 -6.523 1.00 0.00 N ATOM 1247 CA ASN A 838 11.438 -3.383 -7.535 1.00 0.00 C ATOM 1248 C ASN A 838 12.784 -2.682 -7.370 1.00 0.00 C ATOM 1249 O ASN A 838 13.837 -3.285 -7.584 1.00 0.00 O ATOM 1250 CB ASN A 838 10.890 -3.136 -8.942 1.00 0.00 C ATOM 1251 CG ASN A 838 11.641 -3.930 -9.993 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.791 -5.148 -9.878 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.119 -3.251 -11.022 1.00 0.00 N ATOM 0 H ASN A 838 9.671 -2.450 -6.896 1.00 0.00 H new ATOM 0 HA ASN A 838 11.587 -4.454 -7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.834 -3.404 -8.972 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.956 -2.073 -9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.633 -3.735 -11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 838 11.973 -2.243 -11.080 1.00 0.00 H new ATOM 1260 N ALA A 839 12.742 -1.414 -6.975 1.00 0.00 N ATOM 1261 CA ALA A 839 13.954 -0.634 -6.761 1.00 0.00 C ATOM 1262 C ALA A 839 14.798 -1.233 -5.639 1.00 0.00 C ATOM 1263 O ALA A 839 16.000 -1.453 -5.800 1.00 0.00 O ATOM 1264 CB ALA A 839 13.604 0.812 -6.450 1.00 0.00 C ATOM 0 H ALA A 839 11.877 -0.903 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 839 14.543 -0.661 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.520 1.382 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.049 1.240 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.992 0.853 -5.549 1.00 0.00 H new ATOM 1270 N ILE A 840 14.158 -1.510 -4.508 1.00 0.00 N ATOM 1271 CA ILE A 840 14.849 -2.109 -3.370 1.00 0.00 C ATOM 1272 C ILE A 840 15.269 -3.537 -3.691 1.00 0.00 C ATOM 1273 O ILE A 840 16.341 -3.988 -3.285 1.00 0.00 O ATOM 1274 CB ILE A 840 13.969 -2.121 -2.102 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.250 -0.786 -1.937 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.809 -2.427 -0.871 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.838 -0.925 -1.421 1.00 0.00 C ATOM 0 H ILE A 840 13.166 -1.331 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 840 15.729 -1.495 -3.177 1.00 0.00 H new ATOM 0 HB ILE A 840 13.220 -2.905 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.819 -0.158 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.229 -0.272 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 840 14.171 -2.431 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 840 15.278 -3.404 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.580 -1.665 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.386 0.062 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.254 -1.527 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.853 -1.411 -0.445 1.00 0.00 H new ATOM 1289 N LYS A 841 14.417 -4.238 -4.434 1.00 0.00 N ATOM 1290 CA LYS A 841 14.692 -5.610 -4.837 1.00 0.00 C ATOM 1291 C LYS A 841 15.996 -5.690 -5.617 1.00 0.00 C ATOM 1292 O LYS A 841 16.766 -6.635 -5.460 1.00 0.00 O ATOM 1293 CB LYS A 841 13.543 -6.161 -5.684 1.00 0.00 C ATOM 1294 CG LYS A 841 12.941 -7.444 -5.133 1.00 0.00 C ATOM 1295 CD LYS A 841 13.617 -8.674 -5.717 1.00 0.00 C ATOM 1296 CE LYS A 841 14.467 -9.385 -4.678 1.00 0.00 C ATOM 1297 NZ LYS A 841 15.587 -10.142 -5.294 1.00 0.00 N ATOM 0 H LYS A 841 13.525 -3.874 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 841 14.787 -6.215 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.761 -5.405 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 841 13.904 -6.344 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 841 13.038 -7.455 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 841 11.875 -7.472 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.861 -9.359 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 841 14.241 -8.382 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 841 14.867 -8.654 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 841 13.841 -10.068 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 16.388 -10.176 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 15.274 -11.110 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.883 -9.670 -6.172 1.00 0.00 H new ATOM 1311 N ALA A 842 16.236 -4.700 -6.463 1.00 0.00 N ATOM 1312 CA ALA A 842 17.463 -4.635 -7.235 1.00 0.00 C ATOM 1313 C ALA A 842 18.633 -4.182 -6.368 1.00 0.00 C ATOM 1314 O ALA A 842 19.706 -4.784 -6.397 1.00 0.00 O ATOM 1315 CB ALA A 842 17.291 -3.707 -8.429 1.00 0.00 C ATOM 0 H ALA A 842 15.592 -3.927 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 842 17.685 -5.637 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 842 18.220 -3.669 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 842 16.490 -4.080 -9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 842 17.039 -2.706 -8.079 1.00 0.00 H new ATOM 1321 N ASP A 843 18.410 -3.131 -5.585 1.00 0.00 N ATOM 1322 CA ASP A 843 19.468 -2.530 -4.769 1.00 0.00 C ATOM 1323 C ASP A 843 20.048 -3.516 -3.762 1.00 0.00 C ATOM 1324 O ASP A 843 21.267 -3.674 -3.664 1.00 0.00 O ATOM 1325 CB ASP A 843 18.941 -1.303 -4.027 1.00 0.00 C ATOM 1326 CG ASP A 843 20.061 -0.440 -3.480 1.00 0.00 C ATOM 1327 OD1 ASP A 843 20.737 0.237 -4.286 1.00 0.00 O ATOM 1328 OD2 ASP A 843 20.276 -0.436 -2.251 1.00 0.00 O ATOM 0 H ASP A 843 17.503 -2.674 -5.496 1.00 0.00 H new ATOM 0 HA ASP A 843 20.264 -2.235 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 843 18.324 -0.710 -4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 843 18.299 -1.624 -3.207 1.00 0.00 H new ATOM 1333 N ALA A 844 19.169 -4.196 -3.035 1.00 0.00 N ATOM 1334 CA ALA A 844 19.588 -5.102 -1.970 1.00 0.00 C ATOM 1335 C ALA A 844 20.406 -6.278 -2.501 1.00 0.00 C ATOM 1336 O ALA A 844 21.122 -6.933 -1.745 1.00 0.00 O ATOM 1337 CB ALA A 844 18.378 -5.602 -1.201 1.00 0.00 C ATOM 0 H ALA A 844 18.159 -4.137 -3.164 1.00 0.00 H new ATOM 0 HA ALA A 844 20.234 -4.538 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 844 18.703 -6.277 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 844 17.851 -4.755 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 844 17.710 -6.133 -1.879 1.00 0.00 H new ATOM 1343 N GLU A 845 20.308 -6.543 -3.801 1.00 0.00 N ATOM 1344 CA GLU A 845 21.088 -7.612 -4.417 1.00 0.00 C ATOM 1345 C GLU A 845 22.561 -7.218 -4.505 1.00 0.00 C ATOM 1346 O GLU A 845 23.446 -8.076 -4.528 1.00 0.00 O ATOM 1347 CB GLU A 845 20.552 -7.936 -5.813 1.00 0.00 C ATOM 1348 CG GLU A 845 19.135 -8.478 -5.817 1.00 0.00 C ATOM 1349 CD GLU A 845 18.980 -9.761 -5.027 1.00 0.00 C ATOM 1350 OE1 GLU A 845 19.814 -10.676 -5.188 1.00 0.00 O ATOM 1351 OE2 GLU A 845 18.004 -9.872 -4.257 1.00 0.00 O ATOM 0 H GLU A 845 19.700 -6.036 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 845 20.997 -8.500 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 845 20.587 -7.034 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 845 21.211 -8.665 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 845 18.464 -7.724 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 845 18.824 -8.654 -6.847 1.00 0.00 H new ATOM 1358 N GLY A 846 22.814 -5.915 -4.548 1.00 0.00 N ATOM 1359 CA GLY A 846 24.177 -5.423 -4.620 1.00 0.00 C ATOM 1360 C GLY A 846 24.793 -5.271 -3.246 1.00 0.00 C ATOM 1361 O GLY A 846 26.014 -5.196 -3.104 1.00 0.00 O ATOM 0 H GLY A 846 22.098 -5.189 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 846 24.780 -6.109 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 846 24.190 -4.461 -5.132 1.00 0.00 H new ATOM 1365 N GLU A 847 23.939 -5.227 -2.233 1.00 0.00 N ATOM 1366 CA GLU A 847 24.387 -5.136 -0.854 1.00 0.00 C ATOM 1367 C GLU A 847 24.990 -6.464 -0.411 1.00 0.00 C ATOM 1368 O GLU A 847 24.322 -7.498 -0.436 1.00 0.00 O ATOM 1369 CB GLU A 847 23.218 -4.756 0.058 1.00 0.00 C ATOM 1370 CG GLU A 847 23.647 -4.279 1.435 1.00 0.00 C ATOM 1371 CD GLU A 847 23.754 -2.770 1.525 1.00 0.00 C ATOM 1372 OE1 GLU A 847 22.727 -2.082 1.374 1.00 0.00 O ATOM 1373 OE2 GLU A 847 24.871 -2.266 1.767 1.00 0.00 O ATOM 0 H GLU A 847 22.925 -5.253 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 847 25.151 -4.362 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 847 22.634 -3.971 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 847 22.561 -5.619 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 847 22.931 -4.633 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 847 24.611 -4.723 1.685 1.00 0.00 H new ATOM 1380 N SER A 848 26.253 -6.431 -0.018 1.00 0.00 N ATOM 1381 CA SER A 848 26.949 -7.628 0.429 1.00 0.00 C ATOM 1382 C SER A 848 26.440 -8.069 1.799 1.00 0.00 C ATOM 1383 O SER A 848 26.568 -9.238 2.181 1.00 0.00 O ATOM 1384 CB SER A 848 28.451 -7.353 0.474 1.00 0.00 C ATOM 1385 OG SER A 848 28.825 -6.468 -0.573 1.00 0.00 O ATOM 0 H SER A 848 26.820 -5.584 0.001 1.00 0.00 H new ATOM 0 HA SER A 848 26.754 -8.438 -0.274 1.00 0.00 H new ATOM 0 HB2 SER A 848 28.719 -6.920 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 848 29.001 -8.289 0.381 1.00 0.00 H new ATOM 0 HG SER A 848 29.790 -6.300 -0.530 1.00 0.00 H new ATOM 1391 N ASP A 849 25.870 -7.120 2.531 1.00 0.00 N ATOM 1392 CA ASP A 849 25.255 -7.399 3.822 1.00 0.00 C ATOM 1393 C ASP A 849 23.937 -8.137 3.631 1.00 0.00 C ATOM 1394 O ASP A 849 22.897 -7.521 3.389 1.00 0.00 O ATOM 1395 CB ASP A 849 25.013 -6.094 4.584 1.00 0.00 C ATOM 1396 CG ASP A 849 24.825 -6.316 6.069 1.00 0.00 C ATOM 1397 OD1 ASP A 849 23.852 -6.987 6.462 1.00 0.00 O ATOM 1398 OD2 ASP A 849 25.655 -5.813 6.858 1.00 0.00 O ATOM 0 H ASP A 849 25.821 -6.141 2.249 1.00 0.00 H new ATOM 0 HA ASP A 849 25.932 -8.028 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 849 25.856 -5.422 4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 849 24.130 -5.599 4.179 1.00 0.00 H new ATOM 1403 N LEU A 850 23.986 -9.459 3.743 1.00 0.00 N ATOM 1404 CA LEU A 850 22.812 -10.291 3.513 1.00 0.00 C ATOM 1405 C LEU A 850 21.828 -10.183 4.667 1.00 0.00 C ATOM 1406 O LEU A 850 20.638 -10.452 4.507 1.00 0.00 O ATOM 1407 CB LEU A 850 23.219 -11.751 3.307 1.00 0.00 C ATOM 1408 CG LEU A 850 22.994 -12.301 1.894 1.00 0.00 C ATOM 1409 CD1 LEU A 850 21.553 -12.753 1.721 1.00 0.00 C ATOM 1410 CD2 LEU A 850 23.357 -11.260 0.844 1.00 0.00 C ATOM 0 H LEU A 850 24.828 -9.978 3.992 1.00 0.00 H new ATOM 0 HA LEU A 850 22.321 -9.930 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 850 24.275 -11.855 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 850 22.663 -12.369 4.012 1.00 0.00 H new ATOM 0 HG LEU A 850 23.646 -13.164 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 850 21.412 -13.140 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 850 21.328 -13.536 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 850 20.885 -11.907 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 850 23.189 -11.673 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 850 22.735 -10.375 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 850 24.407 -10.986 0.951 1.00 0.00 H new ATOM 1422 N GLU A 851 22.321 -9.801 5.836 1.00 0.00 N ATOM 1423 CA GLU A 851 21.451 -9.596 6.979 1.00 0.00 C ATOM 1424 C GLU A 851 20.532 -8.412 6.711 1.00 0.00 C ATOM 1425 O GLU A 851 19.315 -8.521 6.836 1.00 0.00 O ATOM 1426 CB GLU A 851 22.274 -9.355 8.245 1.00 0.00 C ATOM 1427 CG GLU A 851 22.067 -10.411 9.318 1.00 0.00 C ATOM 1428 CD GLU A 851 20.669 -10.389 9.894 1.00 0.00 C ATOM 1429 OE1 GLU A 851 20.367 -9.482 10.697 1.00 0.00 O ATOM 1430 OE2 GLU A 851 19.862 -11.277 9.551 1.00 0.00 O ATOM 0 H GLU A 851 23.310 -9.629 6.015 1.00 0.00 H new ATOM 0 HA GLU A 851 20.849 -10.491 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 851 23.331 -9.321 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 851 22.017 -8.378 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 851 22.267 -11.396 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 851 22.789 -10.255 10.120 1.00 0.00 H new ATOM 1437 N ASN A 852 21.129 -7.304 6.288 1.00 0.00 N ATOM 1438 CA ASN A 852 20.381 -6.097 5.950 1.00 0.00 C ATOM 1439 C ASN A 852 19.477 -6.343 4.750 1.00 0.00 C ATOM 1440 O ASN A 852 18.292 -6.005 4.772 1.00 0.00 O ATOM 1441 CB ASN A 852 21.350 -4.951 5.632 1.00 0.00 C ATOM 1442 CG ASN A 852 20.762 -3.925 4.677 1.00 0.00 C ATOM 1443 OD1 ASN A 852 19.789 -3.244 4.995 1.00 0.00 O ATOM 1444 ND2 ASN A 852 21.351 -3.811 3.501 1.00 0.00 N ATOM 0 H ASN A 852 22.138 -7.216 6.170 1.00 0.00 H new ATOM 0 HA ASN A 852 19.764 -5.826 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 852 21.634 -4.455 6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 852 22.261 -5.363 5.198 1.00 0.00 H new ATOM 0 HD21 ASN A 852 21.001 -3.139 2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 852 22.156 -4.395 3.275 1.00 0.00 H new ATOM 1451 N SER A 853 20.045 -6.948 3.713 1.00 0.00 N ATOM 1452 CA SER A 853 19.336 -7.152 2.462 1.00 0.00 C ATOM 1453 C SER A 853 18.082 -7.993 2.676 1.00 0.00 C ATOM 1454 O SER A 853 17.010 -7.658 2.177 1.00 0.00 O ATOM 1455 CB SER A 853 20.264 -7.799 1.426 1.00 0.00 C ATOM 1456 OG SER A 853 20.503 -9.165 1.721 1.00 0.00 O ATOM 0 H SER A 853 21.000 -7.306 3.718 1.00 0.00 H new ATOM 0 HA SER A 853 19.020 -6.181 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 853 19.820 -7.713 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 853 21.211 -7.261 1.399 1.00 0.00 H new ATOM 0 HG SER A 853 20.657 -9.657 0.888 1.00 0.00 H new ATOM 1462 N ARG A 854 18.209 -9.067 3.447 1.00 0.00 N ATOM 1463 CA ARG A 854 17.082 -9.949 3.707 1.00 0.00 C ATOM 1464 C ARG A 854 15.941 -9.192 4.367 1.00 0.00 C ATOM 1465 O ARG A 854 14.788 -9.329 3.966 1.00 0.00 O ATOM 1466 CB ARG A 854 17.508 -11.123 4.577 1.00 0.00 C ATOM 1467 CG ARG A 854 17.969 -12.319 3.763 1.00 0.00 C ATOM 1468 CD ARG A 854 19.016 -13.130 4.504 1.00 0.00 C ATOM 1469 NE ARG A 854 18.466 -13.770 5.696 1.00 0.00 N ATOM 1470 CZ ARG A 854 18.828 -13.462 6.941 1.00 0.00 C ATOM 1471 NH1 ARG A 854 19.713 -12.494 7.156 1.00 0.00 N ATOM 1472 NH2 ARG A 854 18.294 -14.112 7.967 1.00 0.00 N ATOM 0 H ARG A 854 19.079 -9.346 3.901 1.00 0.00 H new ATOM 0 HA ARG A 854 16.730 -10.334 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 854 18.315 -10.806 5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 854 16.674 -11.421 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 854 17.114 -12.954 3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 854 18.379 -11.977 2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 854 19.424 -13.891 3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 854 19.843 -12.480 4.790 1.00 0.00 H new ATOM 0 HE ARG A 854 17.762 -14.497 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 854 20.115 -11.987 6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 854 19.990 -12.259 8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 854 17.606 -14.847 7.803 1.00 0.00 H new ATOM 0 HH22 ARG A 854 18.571 -13.876 8.920 1.00 0.00 H new ATOM 1486 N LYS A 855 16.268 -8.381 5.366 1.00 0.00 N ATOM 1487 CA LYS A 855 15.271 -7.547 6.028 1.00 0.00 C ATOM 1488 C LYS A 855 14.604 -6.631 5.020 1.00 0.00 C ATOM 1489 O LYS A 855 13.387 -6.456 5.020 1.00 0.00 O ATOM 1490 CB LYS A 855 15.922 -6.695 7.113 1.00 0.00 C ATOM 1491 CG LYS A 855 16.278 -7.481 8.364 1.00 0.00 C ATOM 1492 CD LYS A 855 17.681 -7.166 8.843 1.00 0.00 C ATOM 1493 CE LYS A 855 17.800 -7.296 10.353 1.00 0.00 C ATOM 1494 NZ LYS A 855 17.817 -8.716 10.790 1.00 0.00 N ATOM 0 H LYS A 855 17.214 -8.283 5.735 1.00 0.00 H new ATOM 0 HA LYS A 855 14.527 -8.203 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 855 16.826 -6.236 6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 855 15.246 -5.884 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 855 15.563 -7.251 9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 855 16.194 -8.548 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 855 18.390 -7.840 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 855 17.950 -6.153 8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 855 18.712 -6.803 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 855 16.965 -6.780 10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 17.135 -8.849 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 17.558 -9.328 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 18.770 -8.966 11.122 1.00 0.00 H new ATOM 1508 N LEU A 856 15.427 -6.070 4.156 1.00 0.00 N ATOM 1509 CA LEU A 856 14.990 -5.116 3.157 1.00 0.00 C ATOM 1510 C LEU A 856 13.969 -5.716 2.210 1.00 0.00 C ATOM 1511 O LEU A 856 12.901 -5.151 1.976 1.00 0.00 O ATOM 1512 CB LEU A 856 16.215 -4.687 2.362 1.00 0.00 C ATOM 1513 CG LEU A 856 16.932 -3.458 2.912 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.092 -3.069 2.011 1.00 0.00 C ATOM 1515 CD2 LEU A 856 15.966 -2.293 3.070 1.00 0.00 C ATOM 0 H LEU A 856 16.428 -6.266 4.128 1.00 0.00 H new ATOM 0 HA LEU A 856 14.516 -4.271 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.920 -5.518 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.912 -4.485 1.334 1.00 0.00 H new ATOM 0 HG LEU A 856 17.328 -3.708 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.591 -2.190 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.801 -3.895 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 856 17.717 -2.842 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.500 -1.428 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 856 15.536 -2.043 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.169 -2.572 3.760 1.00 0.00 H new ATOM 1527 N LEU A 857 14.305 -6.873 1.688 1.00 0.00 N ATOM 1528 CA LEU A 857 13.488 -7.529 0.692 1.00 0.00 C ATOM 1529 C LEU A 857 12.255 -8.177 1.308 1.00 0.00 C ATOM 1530 O LEU A 857 11.215 -8.286 0.656 1.00 0.00 O ATOM 1531 CB LEU A 857 14.349 -8.523 -0.067 1.00 0.00 C ATOM 1532 CG LEU A 857 15.647 -7.908 -0.593 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.778 -8.923 -0.546 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.449 -7.398 -2.008 1.00 0.00 C ATOM 0 H LEU A 857 15.150 -7.385 1.941 1.00 0.00 H new ATOM 0 HA LEU A 857 13.106 -6.788 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.589 -9.361 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.778 -8.925 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 857 15.917 -7.067 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.693 -8.466 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.933 -9.248 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.520 -9.784 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.380 -6.963 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 857 15.158 -8.225 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.666 -6.639 -2.015 1.00 0.00 H new ATOM 1546 N SER A 858 12.360 -8.594 2.563 1.00 0.00 N ATOM 1547 CA SER A 858 11.206 -9.115 3.281 1.00 0.00 C ATOM 1548 C SER A 858 10.254 -7.977 3.634 1.00 0.00 C ATOM 1549 O SER A 858 9.039 -8.161 3.675 1.00 0.00 O ATOM 1550 CB SER A 858 11.645 -9.865 4.540 1.00 0.00 C ATOM 1551 OG SER A 858 12.665 -10.802 4.238 1.00 0.00 O ATOM 0 H SER A 858 13.226 -8.582 3.101 1.00 0.00 H new ATOM 0 HA SER A 858 10.682 -9.821 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.006 -9.155 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.790 -10.380 4.979 1.00 0.00 H new ATOM 0 HG SER A 858 13.516 -10.331 4.115 1.00 0.00 H new ATOM 1557 N ALA A 859 10.814 -6.792 3.872 1.00 0.00 N ATOM 1558 CA ALA A 859 10.010 -5.601 4.108 1.00 0.00 C ATOM 1559 C ALA A 859 9.308 -5.187 2.822 1.00 0.00 C ATOM 1560 O ALA A 859 8.120 -4.867 2.824 1.00 0.00 O ATOM 1561 CB ALA A 859 10.871 -4.464 4.638 1.00 0.00 C ATOM 0 H ALA A 859 11.821 -6.634 3.906 1.00 0.00 H new ATOM 0 HA ALA A 859 9.258 -5.832 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.249 -3.585 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.335 -4.766 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.647 -4.225 3.910 1.00 0.00 H new ATOM 1567 N ALA A 860 10.053 -5.214 1.719 1.00 0.00 N ATOM 1568 CA ALA A 860 9.492 -4.929 0.403 1.00 0.00 C ATOM 1569 C ALA A 860 8.405 -5.941 0.056 1.00 0.00 C ATOM 1570 O ALA A 860 7.432 -5.618 -0.627 1.00 0.00 O ATOM 1571 CB ALA A 860 10.586 -4.933 -0.654 1.00 0.00 C ATOM 0 H ALA A 860 11.050 -5.431 1.712 1.00 0.00 H new ATOM 0 HA ALA A 860 9.042 -3.937 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.150 -4.719 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.328 -4.172 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.065 -5.912 -0.678 1.00 0.00 H new ATOM 1577 N LYS A 861 8.576 -7.166 0.545 1.00 0.00 N ATOM 1578 CA LYS A 861 7.579 -8.211 0.366 1.00 0.00 C ATOM 1579 C LYS A 861 6.249 -7.790 0.987 1.00 0.00 C ATOM 1580 O LYS A 861 5.188 -8.036 0.420 1.00 0.00 O ATOM 1581 CB LYS A 861 8.061 -9.523 0.990 1.00 0.00 C ATOM 1582 CG LYS A 861 7.408 -10.760 0.397 1.00 0.00 C ATOM 1583 CD LYS A 861 8.412 -11.602 -0.375 1.00 0.00 C ATOM 1584 CE LYS A 861 8.031 -11.721 -1.843 1.00 0.00 C ATOM 1585 NZ LYS A 861 7.959 -13.138 -2.293 1.00 0.00 N ATOM 0 H LYS A 861 9.400 -7.458 1.070 1.00 0.00 H new ATOM 0 HA LYS A 861 7.432 -8.367 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.141 -9.599 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.865 -9.498 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.967 -11.358 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 861 6.595 -10.462 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.403 -11.156 -0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 861 8.471 -12.596 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 861 7.066 -11.240 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 861 8.761 -11.185 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 7.696 -13.170 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 8.886 -13.591 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 7.244 -13.644 -1.732 1.00 0.00 H new ATOM 1599 N ILE A 862 6.316 -7.150 2.152 1.00 0.00 N ATOM 1600 CA ILE A 862 5.116 -6.645 2.817 1.00 0.00 C ATOM 1601 C ILE A 862 4.586 -5.417 2.092 1.00 0.00 C ATOM 1602 O ILE A 862 3.377 -5.222 1.993 1.00 0.00 O ATOM 1603 CB ILE A 862 5.365 -6.269 4.294 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.379 -7.211 4.941 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.058 -6.293 5.073 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.125 -6.584 6.100 1.00 0.00 C ATOM 0 H ILE A 862 7.185 -6.969 2.654 1.00 0.00 H new ATOM 0 HA ILE A 862 4.388 -7.455 2.788 1.00 0.00 H new ATOM 0 HB ILE A 862 5.776 -5.260 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.862 -8.104 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.097 -7.533 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.249 -6.026 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.361 -5.577 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.626 -7.293 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.829 -7.307 6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.669 -5.707 5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.415 -6.287 6.872 1.00 0.00 H new ATOM 1618 N LEU A 863 5.504 -4.592 1.595 1.00 0.00 N ATOM 1619 CA LEU A 863 5.146 -3.386 0.856 1.00 0.00 C ATOM 1620 C LEU A 863 4.171 -3.714 -0.274 1.00 0.00 C ATOM 1621 O LEU A 863 3.069 -3.168 -0.335 1.00 0.00 O ATOM 1622 CB LEU A 863 6.405 -2.724 0.278 1.00 0.00 C ATOM 1623 CG LEU A 863 6.840 -1.412 0.943 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.649 -0.485 1.140 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.532 -1.690 2.273 1.00 0.00 C ATOM 0 H LEU A 863 6.509 -4.739 1.692 1.00 0.00 H new ATOM 0 HA LEU A 863 4.662 -2.695 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.229 -3.434 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.237 -2.533 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 863 7.551 -0.914 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.981 0.439 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 863 5.202 -0.257 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.910 -0.972 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.834 -0.748 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.845 -2.213 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.413 -2.309 2.102 1.00 0.00 H new ATOM 1637 N ALA A 864 4.574 -4.624 -1.151 1.00 0.00 N ATOM 1638 CA ALA A 864 3.741 -5.016 -2.283 1.00 0.00 C ATOM 1639 C ALA A 864 2.506 -5.783 -1.819 1.00 0.00 C ATOM 1640 O ALA A 864 1.403 -5.566 -2.325 1.00 0.00 O ATOM 1641 CB ALA A 864 4.543 -5.848 -3.270 1.00 0.00 C ATOM 0 H ALA A 864 5.472 -5.105 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 864 3.405 -4.108 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.907 -6.132 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.387 -5.264 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.912 -6.746 -2.774 1.00 0.00 H new ATOM 1647 N ASP A 865 2.699 -6.664 -0.844 1.00 0.00 N ATOM 1648 CA ASP A 865 1.615 -7.489 -0.309 1.00 0.00 C ATOM 1649 C ASP A 865 0.487 -6.623 0.243 1.00 0.00 C ATOM 1650 O ASP A 865 -0.678 -6.783 -0.132 1.00 0.00 O ATOM 1651 CB ASP A 865 2.152 -8.406 0.792 1.00 0.00 C ATOM 1652 CG ASP A 865 1.058 -9.063 1.610 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.532 -10.106 1.176 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.739 -8.550 2.703 1.00 0.00 O ATOM 0 H ASP A 865 3.604 -6.828 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 865 1.215 -8.094 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.773 -9.180 0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.795 -7.828 1.456 1.00 0.00 H new ATOM 1659 N ALA A 866 0.845 -5.693 1.118 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.123 -4.797 1.728 1.00 0.00 C ATOM 1661 C ALA A 866 -0.812 -3.943 0.673 1.00 0.00 C ATOM 1662 O ALA A 866 -2.004 -3.666 0.774 1.00 0.00 O ATOM 1663 CB ALA A 866 0.548 -3.915 2.768 1.00 0.00 C ATOM 0 H ALA A 866 1.807 -5.540 1.422 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.881 -5.404 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.192 -3.251 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.990 -4.540 3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.329 -3.321 2.292 1.00 0.00 H new ATOM 1669 N THR A 867 -0.061 -3.544 -0.347 1.00 0.00 N ATOM 1670 CA THR A 867 -0.612 -2.724 -1.414 1.00 0.00 C ATOM 1671 C THR A 867 -1.615 -3.513 -2.258 1.00 0.00 C ATOM 1672 O THR A 867 -2.605 -2.958 -2.730 1.00 0.00 O ATOM 1673 CB THR A 867 0.496 -2.149 -2.318 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.453 -1.439 -1.520 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.085 -1.206 -3.360 1.00 0.00 C ATOM 0 H THR A 867 0.927 -3.775 -0.456 1.00 0.00 H new ATOM 0 HA THR A 867 -1.132 -1.893 -0.938 1.00 0.00 H new ATOM 0 HB THR A 867 0.981 -2.980 -2.830 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.820 -2.039 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.718 -0.814 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.798 -1.746 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.592 -0.380 -2.861 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.375 -4.807 -2.438 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.325 -5.646 -3.161 1.00 0.00 C ATOM 1685 C ALA A 868 -3.602 -5.805 -2.356 1.00 0.00 C ATOM 1686 O ALA A 868 -4.702 -5.755 -2.904 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.742 -7.010 -3.473 1.00 0.00 C ATOM 0 H ALA A 868 -0.544 -5.293 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.549 -5.151 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.479 -7.606 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.850 -6.892 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.477 -7.514 -2.543 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.450 -6.003 -1.053 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.594 -6.056 -0.158 1.00 0.00 C ATOM 1695 C LYS A 869 -5.333 -4.726 -0.202 1.00 0.00 C ATOM 1696 O LYS A 869 -6.560 -4.681 -0.226 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.143 -6.366 1.270 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.195 -7.845 1.618 1.00 0.00 C ATOM 1699 CD LYS A 869 -2.803 -8.420 1.820 1.00 0.00 C ATOM 1700 CE LYS A 869 -2.751 -9.350 3.021 1.00 0.00 C ATOM 1701 NZ LYS A 869 -1.535 -9.128 3.846 1.00 0.00 N ATOM 0 H LYS A 869 -2.547 -6.129 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.265 -6.851 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.124 -6.005 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.773 -5.815 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.783 -7.986 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -4.702 -8.389 0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -2.500 -8.963 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -2.089 -7.608 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -3.638 -9.198 3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -2.773 -10.385 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -1.288 -10.007 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -0.745 -8.845 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -1.719 -8.376 4.541 1.00 0.00 H new ATOM 1715 N MET A 870 -4.560 -3.647 -0.241 1.00 0.00 N ATOM 1716 CA MET A 870 -5.103 -2.299 -0.327 1.00 0.00 C ATOM 1717 C MET A 870 -5.884 -2.105 -1.623 1.00 0.00 C ATOM 1718 O MET A 870 -7.044 -1.690 -1.600 1.00 0.00 O ATOM 1719 CB MET A 870 -3.964 -1.279 -0.243 1.00 0.00 C ATOM 1720 CG MET A 870 -4.409 0.104 0.191 1.00 0.00 C ATOM 1721 SD MET A 870 -5.037 1.089 -1.177 1.00 0.00 S ATOM 1722 CE MET A 870 -6.422 1.886 -0.383 1.00 0.00 C ATOM 0 H MET A 870 -3.541 -3.683 -0.214 1.00 0.00 H new ATOM 0 HA MET A 870 -5.789 -2.149 0.507 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.213 -1.645 0.457 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.482 -1.206 -1.218 1.00 0.00 H new ATOM 0 HG2 MET A 870 -5.184 0.010 0.952 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.569 0.624 0.653 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.057 2.350 -1.138 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.999 1.146 0.171 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.057 2.650 0.304 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.251 -2.428 -2.744 1.00 0.00 N ATOM 1733 CA VAL A 871 -5.866 -2.247 -4.052 1.00 0.00 C ATOM 1734 C VAL A 871 -7.105 -3.127 -4.202 1.00 0.00 C ATOM 1735 O VAL A 871 -8.096 -2.723 -4.809 1.00 0.00 O ATOM 1736 CB VAL A 871 -4.852 -2.520 -5.199 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -4.931 -3.951 -5.716 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.063 -1.532 -6.336 1.00 0.00 C ATOM 0 H VAL A 871 -4.309 -2.818 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.179 -1.205 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 871 -3.853 -2.385 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.203 -4.090 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -4.714 -4.644 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -5.933 -4.144 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.346 -1.735 -7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.076 -1.636 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.918 -0.517 -5.967 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.056 -4.317 -3.618 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.170 -5.245 -3.690 1.00 0.00 C ATOM 1750 C GLU A 872 -9.322 -4.765 -2.808 1.00 0.00 C ATOM 1751 O GLU A 872 -10.485 -4.802 -3.215 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.713 -6.648 -3.272 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.286 -7.754 -4.145 1.00 0.00 C ATOM 1754 CD GLU A 872 -7.734 -7.731 -5.556 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -6.556 -8.097 -5.745 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -8.480 -7.365 -6.487 1.00 0.00 O ATOM 0 H GLU A 872 -6.254 -4.660 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.527 -5.289 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.625 -6.694 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.005 -6.824 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -8.068 -8.720 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -9.371 -7.657 -4.182 1.00 0.00 H new ATOM 1763 N ALA A 873 -8.987 -4.289 -1.614 1.00 0.00 N ATOM 1764 CA ALA A 873 -9.988 -3.815 -0.663 1.00 0.00 C ATOM 1765 C ALA A 873 -10.674 -2.547 -1.157 1.00 0.00 C ATOM 1766 O ALA A 873 -11.892 -2.408 -1.047 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.350 -3.565 0.695 1.00 0.00 C ATOM 0 H ALA A 873 -8.026 -4.221 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.746 -4.592 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.108 -3.212 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.915 -4.492 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.568 -2.812 0.597 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.887 -1.623 -1.703 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.418 -0.350 -2.176 1.00 0.00 C ATOM 1775 C ALA A 874 -11.430 -0.556 -3.297 1.00 0.00 C ATOM 1776 O ALA A 874 -12.475 0.094 -3.327 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.291 0.557 -2.639 1.00 0.00 C ATOM 0 H ALA A 874 -8.881 -1.733 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 874 -10.933 0.128 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.705 1.503 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.610 0.744 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.748 0.076 -3.452 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.119 -1.468 -4.212 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.021 -1.773 -5.316 1.00 0.00 C ATOM 1785 C LYS A 875 -13.260 -2.501 -4.810 1.00 0.00 C ATOM 1786 O LYS A 875 -14.369 -2.249 -5.273 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.327 -2.640 -6.368 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.099 -1.998 -7.001 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.343 -2.976 -7.901 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.537 -4.424 -7.464 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.673 -5.362 -8.225 1.00 0.00 N ATOM 0 H LYS A 875 -10.253 -2.007 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.314 -0.827 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -11.032 -3.583 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.043 -2.879 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.404 -1.129 -7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -9.433 -1.638 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -9.684 -2.859 -8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.281 -2.733 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.317 -4.513 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -10.582 -4.705 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.684 -6.295 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -9.030 -5.451 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -7.699 -4.998 -8.245 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.057 -3.407 -3.860 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.156 -4.184 -3.319 1.00 0.00 C ATOM 1807 C GLY A 876 -15.153 -3.337 -2.555 1.00 0.00 C ATOM 1808 O GLY A 876 -16.360 -3.549 -2.657 1.00 0.00 O ATOM 0 H GLY A 876 -12.146 -3.618 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.669 -4.695 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.759 -4.955 -2.658 1.00 0.00 H new ATOM 1812 N ALA A 877 -14.653 -2.357 -1.815 1.00 0.00 N ATOM 1813 CA ALA A 877 -15.505 -1.515 -0.983 1.00 0.00 C ATOM 1814 C ALA A 877 -16.111 -0.356 -1.772 1.00 0.00 C ATOM 1815 O ALA A 877 -16.692 0.561 -1.189 1.00 0.00 O ATOM 1816 CB ALA A 877 -14.718 -0.985 0.204 1.00 0.00 C ATOM 0 H ALA A 877 -13.661 -2.124 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 877 -16.328 -2.134 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -15.364 -0.358 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -14.351 -1.821 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -13.873 -0.396 -0.153 1.00 0.00 H new ATOM 1822 N ALA A 878 -15.971 -0.391 -3.090 1.00 0.00 N ATOM 1823 CA ALA A 878 -16.534 0.650 -3.940 1.00 0.00 C ATOM 1824 C ALA A 878 -18.059 0.565 -3.976 1.00 0.00 C ATOM 1825 O ALA A 878 -18.751 1.521 -3.619 1.00 0.00 O ATOM 1826 CB ALA A 878 -15.962 0.562 -5.349 1.00 0.00 C ATOM 0 H ALA A 878 -15.474 -1.126 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 878 -16.259 1.615 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -16.395 1.348 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -14.880 0.686 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -16.201 -0.411 -5.779 1.00 0.00 H new ATOM 1832 N ALA A 879 -18.570 -0.585 -4.400 1.00 0.00 N ATOM 1833 CA ALA A 879 -20.009 -0.815 -4.482 1.00 0.00 C ATOM 1834 C ALA A 879 -20.293 -2.290 -4.726 1.00 0.00 C ATOM 1835 O ALA A 879 -21.051 -2.923 -3.993 1.00 0.00 O ATOM 1836 CB ALA A 879 -20.629 0.030 -5.590 1.00 0.00 C ATOM 0 H ALA A 879 -18.003 -1.380 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 879 -20.458 -0.521 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -21.702 -0.157 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -20.453 1.086 -5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.176 -0.234 -6.546 1.00 0.00 H new ATOM 1842 N HIS A 880 -19.662 -2.833 -5.757 1.00 0.00 N ATOM 1843 CA HIS A 880 -19.813 -4.236 -6.112 1.00 0.00 C ATOM 1844 C HIS A 880 -18.693 -4.647 -7.054 1.00 0.00 C ATOM 1845 O HIS A 880 -18.427 -3.954 -8.037 1.00 0.00 O ATOM 1846 CB HIS A 880 -21.165 -4.486 -6.787 1.00 0.00 C ATOM 1847 CG HIS A 880 -21.922 -5.636 -6.201 1.00 0.00 C ATOM 1848 ND1 HIS A 880 -22.250 -6.769 -6.916 1.00 0.00 N ATOM 1849 CD2 HIS A 880 -22.417 -5.824 -4.955 1.00 0.00 C ATOM 1850 CE1 HIS A 880 -22.912 -7.600 -6.134 1.00 0.00 C ATOM 1851 NE2 HIS A 880 -23.028 -7.051 -4.940 1.00 0.00 N ATOM 0 H HIS A 880 -19.032 -2.315 -6.370 1.00 0.00 H new ATOM 0 HA HIS A 880 -19.766 -4.829 -5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -21.773 -3.584 -6.710 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -21.003 -4.671 -7.849 1.00 0.00 H new ATOM 0 HD1 HIS A 880 -22.017 -6.938 -7.895 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -22.344 -5.135 -4.127 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -23.295 -8.568 -6.423 1.00 0.00 H new ATOM 1860 N PRO A 881 -18.012 -5.766 -6.762 1.00 0.00 N ATOM 1861 CA PRO A 881 -16.957 -6.294 -7.631 1.00 0.00 C ATOM 1862 C PRO A 881 -17.534 -6.917 -8.899 1.00 0.00 C ATOM 1863 O PRO A 881 -17.416 -8.121 -9.133 1.00 0.00 O ATOM 1864 CB PRO A 881 -16.278 -7.353 -6.760 1.00 0.00 C ATOM 1865 CG PRO A 881 -17.336 -7.799 -5.810 1.00 0.00 C ATOM 1866 CD PRO A 881 -18.209 -6.598 -5.561 1.00 0.00 C ATOM 0 HA PRO A 881 -16.272 -5.520 -7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -15.911 -8.184 -7.362 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -15.420 -6.939 -6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -17.915 -8.621 -6.230 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -16.897 -8.161 -4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -19.254 -6.882 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -17.913 -6.069 -4.655 1.00 0.00 H new ATOM 1874 N ASP A 882 -18.165 -6.081 -9.707 1.00 0.00 N ATOM 1875 CA ASP A 882 -18.808 -6.521 -10.934 1.00 0.00 C ATOM 1876 C ASP A 882 -18.141 -5.860 -12.130 1.00 0.00 C ATOM 1877 O ASP A 882 -18.802 -5.275 -12.987 1.00 0.00 O ATOM 1878 CB ASP A 882 -20.297 -6.168 -10.902 1.00 0.00 C ATOM 1879 CG ASP A 882 -21.167 -7.349 -10.535 1.00 0.00 C ATOM 1880 OD1 ASP A 882 -21.186 -8.342 -11.295 1.00 0.00 O ATOM 1881 OD2 ASP A 882 -21.849 -7.288 -9.489 1.00 0.00 O ATOM 0 H ASP A 882 -18.246 -5.080 -9.531 1.00 0.00 H new ATOM 0 HA ASP A 882 -18.705 -7.603 -11.022 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -20.461 -5.364 -10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -20.598 -5.789 -11.879 1.00 0.00 H new ATOM 1886 N SER A 883 -16.825 -5.938 -12.161 1.00 0.00 N ATOM 1887 CA SER A 883 -16.041 -5.294 -13.199 1.00 0.00 C ATOM 1888 C SER A 883 -15.464 -6.333 -14.156 1.00 0.00 C ATOM 1889 O SER A 883 -15.822 -7.512 -14.089 1.00 0.00 O ATOM 1890 CB SER A 883 -14.919 -4.484 -12.547 1.00 0.00 C ATOM 1891 OG SER A 883 -14.928 -4.652 -11.135 1.00 0.00 O ATOM 0 H SER A 883 -16.271 -6.446 -11.472 1.00 0.00 H new ATOM 0 HA SER A 883 -16.682 -4.627 -13.775 1.00 0.00 H new ATOM 0 HB2 SER A 883 -13.956 -4.799 -12.949 1.00 0.00 H new ATOM 0 HB3 SER A 883 -15.037 -3.429 -12.793 1.00 0.00 H new ATOM 0 HG SER A 883 -14.202 -4.127 -10.738 1.00 0.00 H new ATOM 1897 N GLU A 884 -14.591 -5.898 -15.057 1.00 0.00 N ATOM 1898 CA GLU A 884 -13.899 -6.818 -15.952 1.00 0.00 C ATOM 1899 C GLU A 884 -12.993 -7.739 -15.143 1.00 0.00 C ATOM 1900 O GLU A 884 -12.430 -7.331 -14.122 1.00 0.00 O ATOM 1901 CB GLU A 884 -13.089 -6.058 -17.005 1.00 0.00 C ATOM 1902 CG GLU A 884 -12.626 -4.684 -16.553 1.00 0.00 C ATOM 1903 CD GLU A 884 -11.180 -4.675 -16.109 1.00 0.00 C ATOM 1904 OE1 GLU A 884 -10.399 -5.516 -16.591 1.00 0.00 O ATOM 1905 OE2 GLU A 884 -10.818 -3.818 -15.280 1.00 0.00 O ATOM 0 H GLU A 884 -14.346 -4.916 -15.187 1.00 0.00 H new ATOM 0 HA GLU A 884 -14.643 -7.418 -16.476 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -12.217 -6.653 -17.277 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -13.694 -5.949 -17.905 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -12.756 -3.974 -17.370 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -13.257 -4.344 -15.732 1.00 0.00 H new ATOM 1912 N GLU A 885 -12.864 -8.978 -15.589 1.00 0.00 N ATOM 1913 CA GLU A 885 -12.114 -9.975 -14.841 1.00 0.00 C ATOM 1914 C GLU A 885 -11.159 -10.749 -15.742 1.00 0.00 C ATOM 1915 O GLU A 885 -11.382 -10.858 -16.950 1.00 0.00 O ATOM 1916 CB GLU A 885 -13.076 -10.945 -14.146 1.00 0.00 C ATOM 1917 CG GLU A 885 -14.215 -11.423 -15.034 1.00 0.00 C ATOM 1918 CD GLU A 885 -14.270 -12.932 -15.150 1.00 0.00 C ATOM 1919 OE1 GLU A 885 -14.645 -13.597 -14.160 1.00 0.00 O ATOM 1920 OE2 GLU A 885 -13.940 -13.464 -16.230 1.00 0.00 O ATOM 0 H GLU A 885 -13.267 -9.317 -16.462 1.00 0.00 H new ATOM 0 HA GLU A 885 -11.520 -9.452 -14.092 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -12.514 -11.810 -13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -13.494 -10.458 -13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -15.161 -11.059 -14.633 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -14.102 -10.990 -16.028 1.00 0.00 H new ATOM 1927 N GLN A 886 -10.088 -11.259 -15.129 1.00 0.00 N ATOM 1928 CA GLN A 886 -9.117 -12.142 -15.781 1.00 0.00 C ATOM 1929 C GLN A 886 -8.241 -11.411 -16.799 1.00 0.00 C ATOM 1930 O GLN A 886 -7.016 -11.419 -16.686 1.00 0.00 O ATOM 1931 CB GLN A 886 -9.813 -13.335 -16.442 1.00 0.00 C ATOM 1932 CG GLN A 886 -9.760 -14.611 -15.612 1.00 0.00 C ATOM 1933 CD GLN A 886 -8.592 -14.640 -14.644 1.00 0.00 C ATOM 1934 OE1 GLN A 886 -7.430 -14.566 -15.045 1.00 0.00 O ATOM 1935 NE2 GLN A 886 -8.892 -14.755 -13.361 1.00 0.00 N ATOM 0 H GLN A 886 -9.868 -11.068 -14.152 1.00 0.00 H new ATOM 0 HA GLN A 886 -8.459 -12.506 -14.992 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -10.855 -13.078 -16.630 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -9.351 -13.523 -17.411 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -10.690 -14.714 -15.053 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -9.693 -15.470 -16.280 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -9.867 -14.814 -13.069 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -8.148 -14.785 -12.664 1.00 0.00 H new ATOM 1944 N GLN A 887 -8.858 -10.793 -17.790 1.00 0.00 N ATOM 1945 CA GLN A 887 -8.114 -10.101 -18.830 1.00 0.00 C ATOM 1946 C GLN A 887 -7.703 -8.716 -18.353 1.00 0.00 C ATOM 1947 O GLN A 887 -8.527 -7.807 -18.276 1.00 0.00 O ATOM 1948 CB GLN A 887 -8.950 -9.995 -20.106 1.00 0.00 C ATOM 1949 CG GLN A 887 -8.789 -11.185 -21.040 1.00 0.00 C ATOM 1950 CD GLN A 887 -9.485 -12.429 -20.525 1.00 0.00 C ATOM 1951 OE1 GLN A 887 -8.869 -13.280 -19.882 1.00 0.00 O ATOM 1952 NE2 GLN A 887 -10.772 -12.548 -20.812 1.00 0.00 N ATOM 0 H GLN A 887 -9.872 -10.755 -17.898 1.00 0.00 H new ATOM 0 HA GLN A 887 -7.215 -10.676 -19.052 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -10.001 -9.896 -19.835 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -8.672 -9.086 -20.638 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -9.189 -10.929 -22.021 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -7.728 -11.396 -21.174 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -11.245 -11.820 -21.347 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -11.291 -13.368 -20.498 1.00 0.00 H new ATOM 1961 N GLN A 888 -6.435 -8.567 -18.015 1.00 0.00 N ATOM 1962 CA GLN A 888 -5.908 -7.298 -17.540 1.00 0.00 C ATOM 1963 C GLN A 888 -4.507 -7.078 -18.090 1.00 0.00 C ATOM 1964 O GLN A 888 -3.519 -7.509 -17.494 1.00 0.00 O ATOM 1965 CB GLN A 888 -5.882 -7.265 -16.007 1.00 0.00 C ATOM 1966 CG GLN A 888 -6.779 -6.198 -15.397 1.00 0.00 C ATOM 1967 CD GLN A 888 -6.692 -4.868 -16.121 1.00 0.00 C ATOM 1968 OE1 GLN A 888 -5.607 -4.304 -16.283 1.00 0.00 O ATOM 1969 NE2 GLN A 888 -7.831 -4.360 -16.563 1.00 0.00 N ATOM 0 H GLN A 888 -5.744 -9.316 -18.061 1.00 0.00 H new ATOM 0 HA GLN A 888 -6.559 -6.498 -17.892 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -6.185 -8.241 -15.627 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -4.858 -7.098 -15.674 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -7.812 -6.547 -15.412 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -6.506 -6.055 -14.352 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -8.707 -4.860 -16.408 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -7.833 -3.469 -17.059 1.00 0.00 H new ATOM 1978 N ARG A 889 -4.430 -6.427 -19.238 1.00 0.00 N ATOM 1979 CA ARG A 889 -3.153 -6.152 -19.873 1.00 0.00 C ATOM 1980 C ARG A 889 -2.927 -4.651 -19.959 1.00 0.00 C ATOM 1981 O ARG A 889 -3.925 -3.907 -20.033 1.00 0.00 O ATOM 1982 CB ARG A 889 -3.111 -6.775 -21.270 1.00 0.00 C ATOM 1983 CG ARG A 889 -1.715 -7.177 -21.718 1.00 0.00 C ATOM 1984 CD ARG A 889 -1.014 -6.036 -22.434 1.00 0.00 C ATOM 1985 NE ARG A 889 0.439 -6.177 -22.401 1.00 0.00 N ATOM 1986 CZ ARG A 889 1.210 -5.771 -21.391 1.00 0.00 C ATOM 1987 NH1 ARG A 889 0.682 -5.162 -20.338 1.00 0.00 N ATOM 1988 NH2 ARG A 889 2.518 -5.962 -21.446 1.00 0.00 N ATOM 1989 OXT ARG A 889 -1.757 -4.220 -19.957 1.00 0.00 O ATOM 0 H ARG A 889 -5.240 -6.078 -19.751 1.00 0.00 H new ATOM 0 HA ARG A 889 -2.358 -6.594 -19.271 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -3.755 -7.654 -21.286 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -3.523 -6.065 -21.987 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -1.127 -7.482 -20.852 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -1.778 -8.040 -22.380 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -1.351 -5.997 -23.470 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -1.297 -5.090 -21.972 1.00 0.00 H new ATOM 0 HE ARG A 889 0.894 -6.614 -23.202 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -0.324 -4.999 -20.294 1.00 0.00 H new ATOM 0 HH12 ARG A 889 1.282 -4.856 -19.572 1.00 0.00 H new ATOM 0 HH21 ARG A 889 2.933 -6.418 -22.258 1.00 0.00 H new ATOM 0 HH22 ARG A 889 3.111 -5.653 -20.676 1.00 0.00 H new TER 2003 ARG A 889