USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 963 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 868 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 872 GLN : amide:sc= -3.37! C(o=-3.4!,f=-6.7!) USER MOD Set 2.1: A 849 GLN :FLIP amide:sc= -0.785 F(o=-1.2!,f=-0.44) USER MOD Set 2.2: A 915 TYR OH : rot 130:sc= 0.347 USER MOD Single : A 801 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 802 SER OG : rot -67:sc= 0.931 USER MOD Single : A 804 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 807 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.044) USER MOD Single : A 827 ASN : amide:sc= -0.0658 K(o=-0.066,f=-1.2!) USER MOD Single : A 833 GLN : amide:sc= -0.0294 K(o=-0.029,f=-1.4!) USER MOD Single : A 835 ASN : amide:sc= -5.06! C(o=-5.1!,f=-10!) USER MOD Single : A 841 SER OG : rot 180:sc= 0 USER MOD Single : A 846 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.94) USER MOD Single : A 848 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 850 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.438) USER MOD Single : A 853 THR OG1 : rot 108:sc= -4.97! USER MOD Single : A 854 THR OG1 : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 150:sc= -1.91! USER MOD Single : A 857 MET CE :methyl 175:sc= -14.6! (180deg=-14.9!) USER MOD Single : A 858 THR OG1 : rot 128:sc= -2.04 USER MOD Single : A 859 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 860 TYR OH : rot 165:sc= -0.411 USER MOD Single : A 875 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 876 CYS SG : rot 180:sc= 0 USER MOD Single : A 880 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 887 THR OG1 : rot -8:sc= 0.915 USER MOD Single : A 894 MET CE :methyl 170:sc= -3.46! (180deg=-3.67!) USER MOD Single : A 895 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 898 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0314) USER MOD Single : A 901 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 909 TYR OH : rot 180:sc= -3.89! USER MOD Single : A 914 SER OG : rot 11:sc= 0.934 USER MOD Single : A 926 THR OG1 : rot 81:sc= -8.65! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 801 -11.715 -34.798 27.959 1.00 0.00 N ATOM 2 CA MET A 801 -12.854 -34.232 27.178 1.00 0.00 C ATOM 3 C MET A 801 -12.390 -33.024 26.355 1.00 0.00 C ATOM 4 O MET A 801 -13.186 -32.212 25.927 1.00 0.00 O ATOM 5 CB MET A 801 -13.885 -33.803 28.225 1.00 0.00 C ATOM 6 CG MET A 801 -13.248 -32.816 29.208 1.00 0.00 C ATOM 7 SD MET A 801 -12.642 -33.712 30.659 1.00 0.00 S ATOM 8 CE MET A 801 -14.206 -33.759 31.567 1.00 0.00 C ATOM 0 HA MET A 801 -13.266 -34.955 26.474 1.00 0.00 H new ATOM 0 HB2 MET A 801 -14.742 -33.341 27.736 1.00 0.00 H new ATOM 0 HB3 MET A 801 -14.256 -34.676 28.762 1.00 0.00 H new ATOM 0 HG2 MET A 801 -12.427 -32.286 28.726 1.00 0.00 H new ATOM 0 HG3 MET A 801 -13.978 -32.065 29.510 1.00 0.00 H new ATOM 0 HE1 MET A 801 -14.061 -34.278 32.515 1.00 0.00 H new ATOM 0 HE2 MET A 801 -14.546 -32.741 31.759 1.00 0.00 H new ATOM 0 HE3 MET A 801 -14.954 -34.286 30.975 1.00 0.00 H new ATOM 20 N SER A 802 -11.105 -32.902 26.129 1.00 0.00 N ATOM 21 CA SER A 802 -10.584 -31.748 25.333 1.00 0.00 C ATOM 22 C SER A 802 -11.123 -30.423 25.887 1.00 0.00 C ATOM 23 O SER A 802 -11.821 -29.695 25.207 1.00 0.00 O ATOM 24 CB SER A 802 -11.094 -31.983 23.910 1.00 0.00 C ATOM 25 OG SER A 802 -10.830 -30.830 23.120 1.00 0.00 O ATOM 0 H SER A 802 -10.394 -33.553 26.462 1.00 0.00 H new ATOM 0 HA SER A 802 -9.497 -31.683 25.372 1.00 0.00 H new ATOM 0 HB2 SER A 802 -10.606 -32.855 23.476 1.00 0.00 H new ATOM 0 HB3 SER A 802 -12.164 -32.191 23.924 1.00 0.00 H new ATOM 0 HG SER A 802 -11.371 -30.080 23.445 1.00 0.00 H new ATOM 31 N ASP A 803 -10.803 -30.107 27.112 1.00 0.00 N ATOM 32 CA ASP A 803 -11.296 -28.831 27.709 1.00 0.00 C ATOM 33 C ASP A 803 -10.158 -27.792 27.744 1.00 0.00 C ATOM 34 O ASP A 803 -9.274 -27.875 28.574 1.00 0.00 O ATOM 35 CB ASP A 803 -11.711 -29.202 29.135 1.00 0.00 C ATOM 36 CG ASP A 803 -13.203 -28.918 29.326 1.00 0.00 C ATOM 37 OD1 ASP A 803 -13.588 -27.769 29.192 1.00 0.00 O ATOM 38 OD2 ASP A 803 -13.933 -29.856 29.604 1.00 0.00 O ATOM 0 H ASP A 803 -10.221 -30.677 27.726 1.00 0.00 H new ATOM 0 HA ASP A 803 -12.117 -28.396 27.139 1.00 0.00 H new ATOM 0 HB2 ASP A 803 -11.504 -30.256 29.322 1.00 0.00 H new ATOM 0 HB3 ASP A 803 -11.126 -28.630 29.855 1.00 0.00 H new ATOM 43 N ASN A 804 -10.160 -26.817 26.859 1.00 0.00 N ATOM 44 CA ASN A 804 -9.069 -25.794 26.867 1.00 0.00 C ATOM 45 C ASN A 804 -7.696 -26.473 26.848 1.00 0.00 C ATOM 46 O ASN A 804 -7.127 -26.770 27.880 1.00 0.00 O ATOM 47 CB ASN A 804 -9.263 -25.010 28.167 1.00 0.00 C ATOM 48 CG ASN A 804 -10.381 -23.983 27.982 1.00 0.00 C ATOM 49 OD1 ASN A 804 -10.181 -22.956 27.365 1.00 0.00 O ATOM 50 ND2 ASN A 804 -11.557 -24.218 28.497 1.00 0.00 N ATOM 0 H ASN A 804 -10.868 -26.689 26.136 1.00 0.00 H new ATOM 0 HA ASN A 804 -9.111 -25.146 25.991 1.00 0.00 H new ATOM 0 HB2 ASN A 804 -9.511 -25.691 28.981 1.00 0.00 H new ATOM 0 HB3 ASN A 804 -8.336 -24.508 28.443 1.00 0.00 H new ATOM 0 HD21 ASN A 804 -12.309 -23.539 28.382 1.00 0.00 H new ATOM 0 HD22 ASN A 804 -11.724 -25.081 29.015 1.00 0.00 H new ATOM 57 N GLU A 805 -7.162 -26.722 25.682 1.00 0.00 N ATOM 58 CA GLU A 805 -5.827 -27.383 25.596 1.00 0.00 C ATOM 59 C GLU A 805 -4.759 -26.502 26.251 1.00 0.00 C ATOM 60 O GLU A 805 -4.538 -25.377 25.848 1.00 0.00 O ATOM 61 CB GLU A 805 -5.553 -27.535 24.099 1.00 0.00 C ATOM 62 CG GLU A 805 -4.244 -28.303 23.894 1.00 0.00 C ATOM 63 CD GLU A 805 -4.388 -29.253 22.703 1.00 0.00 C ATOM 64 OE1 GLU A 805 -5.392 -29.943 22.638 1.00 0.00 O ATOM 65 OE2 GLU A 805 -3.492 -29.275 21.875 1.00 0.00 O ATOM 0 H GLU A 805 -7.592 -26.496 24.785 1.00 0.00 H new ATOM 0 HA GLU A 805 -5.808 -28.343 26.112 1.00 0.00 H new ATOM 0 HB2 GLU A 805 -6.376 -28.065 23.620 1.00 0.00 H new ATOM 0 HB3 GLU A 805 -5.489 -26.554 23.629 1.00 0.00 H new ATOM 0 HG2 GLU A 805 -3.425 -27.606 23.719 1.00 0.00 H new ATOM 0 HG3 GLU A 805 -3.996 -28.866 24.794 1.00 0.00 H new ATOM 72 N ASP A 806 -4.099 -27.007 27.259 1.00 0.00 N ATOM 73 CA ASP A 806 -3.046 -26.201 27.943 1.00 0.00 C ATOM 74 C ASP A 806 -1.759 -26.198 27.114 1.00 0.00 C ATOM 75 O ASP A 806 -0.923 -27.071 27.245 1.00 0.00 O ATOM 76 CB ASP A 806 -2.817 -26.900 29.283 1.00 0.00 C ATOM 77 CG ASP A 806 -3.861 -26.421 30.294 1.00 0.00 C ATOM 78 OD1 ASP A 806 -5.039 -26.565 30.012 1.00 0.00 O ATOM 79 OD2 ASP A 806 -3.464 -25.919 31.331 1.00 0.00 O ATOM 0 H ASP A 806 -4.243 -27.943 27.638 1.00 0.00 H new ATOM 0 HA ASP A 806 -3.344 -25.160 28.072 1.00 0.00 H new ATOM 0 HB2 ASP A 806 -2.886 -27.981 29.158 1.00 0.00 H new ATOM 0 HB3 ASP A 806 -1.814 -26.685 29.651 1.00 0.00 H new ATOM 84 N ASN A 807 -1.593 -25.222 26.261 1.00 0.00 N ATOM 85 CA ASN A 807 -0.361 -25.161 25.423 1.00 0.00 C ATOM 86 C ASN A 807 0.594 -24.091 25.973 1.00 0.00 C ATOM 87 O ASN A 807 0.685 -23.892 27.169 1.00 0.00 O ATOM 88 CB ASN A 807 -0.857 -24.787 24.024 1.00 0.00 C ATOM 89 CG ASN A 807 -0.030 -25.531 22.974 1.00 0.00 C ATOM 90 OD1 ASN A 807 -0.069 -26.743 22.899 1.00 0.00 O ATOM 91 ND2 ASN A 807 0.723 -24.851 22.152 1.00 0.00 N ATOM 0 H ASN A 807 -2.258 -24.464 26.109 1.00 0.00 H new ATOM 0 HA ASN A 807 0.191 -26.101 25.417 1.00 0.00 H new ATOM 0 HB2 ASN A 807 -1.911 -25.043 23.920 1.00 0.00 H new ATOM 0 HB3 ASN A 807 -0.774 -23.711 23.873 1.00 0.00 H new ATOM 0 HD21 ASN A 807 1.278 -25.337 21.448 1.00 0.00 H new ATOM 0 HD22 ASN A 807 0.756 -23.833 22.214 1.00 0.00 H new ATOM 98 N PHE A 808 1.307 -23.400 25.118 1.00 0.00 N ATOM 99 CA PHE A 808 2.248 -22.350 25.607 1.00 0.00 C ATOM 100 C PHE A 808 1.934 -21.009 24.939 1.00 0.00 C ATOM 101 O PHE A 808 1.666 -20.023 25.599 1.00 0.00 O ATOM 102 CB PHE A 808 3.637 -22.842 25.198 1.00 0.00 C ATOM 103 CG PHE A 808 4.617 -22.575 26.316 1.00 0.00 C ATOM 104 CD1 PHE A 808 4.611 -23.384 27.459 1.00 0.00 C ATOM 105 CD2 PHE A 808 5.530 -21.520 26.209 1.00 0.00 C ATOM 106 CE1 PHE A 808 5.520 -23.136 28.496 1.00 0.00 C ATOM 107 CE2 PHE A 808 6.438 -21.272 27.245 1.00 0.00 C ATOM 108 CZ PHE A 808 6.433 -22.081 28.388 1.00 0.00 C ATOM 0 H PHE A 808 1.277 -23.519 24.105 1.00 0.00 H new ATOM 0 HA PHE A 808 2.172 -22.194 26.683 1.00 0.00 H new ATOM 0 HB2 PHE A 808 3.605 -23.909 24.975 1.00 0.00 H new ATOM 0 HB3 PHE A 808 3.960 -22.336 24.288 1.00 0.00 H new ATOM 0 HD1 PHE A 808 3.906 -24.198 27.541 1.00 0.00 H new ATOM 0 HD2 PHE A 808 5.534 -20.897 25.327 1.00 0.00 H new ATOM 0 HE1 PHE A 808 5.516 -23.759 29.378 1.00 0.00 H new ATOM 0 HE2 PHE A 808 7.142 -20.457 27.163 1.00 0.00 H new ATOM 0 HZ PHE A 808 7.134 -21.891 29.187 1.00 0.00 H new ATOM 118 N ASP A 809 1.965 -20.965 23.634 1.00 0.00 N ATOM 119 CA ASP A 809 1.669 -19.689 22.919 1.00 0.00 C ATOM 120 C ASP A 809 0.879 -19.974 21.639 1.00 0.00 C ATOM 121 O ASP A 809 1.431 -20.036 20.558 1.00 0.00 O ATOM 122 CB ASP A 809 3.037 -19.095 22.584 1.00 0.00 C ATOM 123 CG ASP A 809 3.392 -18.016 23.610 1.00 0.00 C ATOM 124 OD1 ASP A 809 2.780 -16.962 23.566 1.00 0.00 O ATOM 125 OD2 ASP A 809 4.269 -18.264 24.421 1.00 0.00 O ATOM 0 H ASP A 809 2.183 -21.758 23.031 1.00 0.00 H new ATOM 0 HA ASP A 809 1.067 -19.008 23.520 1.00 0.00 H new ATOM 0 HB2 ASP A 809 3.795 -19.878 22.587 1.00 0.00 H new ATOM 0 HB3 ASP A 809 3.024 -18.668 21.581 1.00 0.00 H new ATOM 130 N GLY A 810 -0.412 -20.150 21.753 1.00 0.00 N ATOM 131 CA GLY A 810 -1.238 -20.433 20.544 1.00 0.00 C ATOM 132 C GLY A 810 -1.849 -19.131 20.017 1.00 0.00 C ATOM 133 O GLY A 810 -2.818 -19.146 19.285 1.00 0.00 O ATOM 0 H GLY A 810 -0.929 -20.110 22.631 1.00 0.00 H new ATOM 0 HA2 GLY A 810 -0.623 -20.895 19.772 1.00 0.00 H new ATOM 0 HA3 GLY A 810 -2.028 -21.143 20.790 1.00 0.00 H new ATOM 137 N ASP A 811 -1.289 -18.007 20.381 1.00 0.00 N ATOM 138 CA ASP A 811 -1.839 -16.708 19.896 1.00 0.00 C ATOM 139 C ASP A 811 -0.709 -15.685 19.738 1.00 0.00 C ATOM 140 O ASP A 811 0.452 -16.001 19.909 1.00 0.00 O ATOM 141 CB ASP A 811 -2.820 -16.261 20.981 1.00 0.00 C ATOM 142 CG ASP A 811 -4.004 -17.228 21.029 1.00 0.00 C ATOM 143 OD1 ASP A 811 -4.560 -17.506 19.980 1.00 0.00 O ATOM 144 OD2 ASP A 811 -4.334 -17.675 22.115 1.00 0.00 O ATOM 0 H ASP A 811 -0.476 -17.933 20.992 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.324 -16.801 18.924 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -2.320 -16.233 21.949 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -3.171 -15.250 20.775 1.00 0.00 H new ATOM 149 N ASP A 812 -1.038 -14.462 19.409 1.00 0.00 N ATOM 150 CA ASP A 812 0.022 -13.425 19.238 1.00 0.00 C ATOM 151 C ASP A 812 0.040 -12.468 20.439 1.00 0.00 C ATOM 152 O ASP A 812 0.190 -11.272 20.281 1.00 0.00 O ATOM 153 CB ASP A 812 -0.371 -12.672 17.967 1.00 0.00 C ATOM 154 CG ASP A 812 -0.291 -13.619 16.768 1.00 0.00 C ATOM 155 OD1 ASP A 812 0.596 -14.457 16.759 1.00 0.00 O ATOM 156 OD2 ASP A 812 -1.117 -13.489 15.880 1.00 0.00 O ATOM 0 H ASP A 812 -1.992 -14.138 19.252 1.00 0.00 H new ATOM 0 HA ASP A 812 1.018 -13.864 19.170 1.00 0.00 H new ATOM 0 HB2 ASP A 812 -1.382 -12.276 18.064 1.00 0.00 H new ATOM 0 HB3 ASP A 812 0.292 -11.820 17.816 1.00 0.00 H new ATOM 161 N PHE A 813 -0.111 -12.977 21.638 1.00 0.00 N ATOM 162 CA PHE A 813 -0.100 -12.084 22.832 1.00 0.00 C ATOM 163 C PHE A 813 1.256 -12.159 23.539 1.00 0.00 C ATOM 164 O PHE A 813 1.353 -11.983 24.737 1.00 0.00 O ATOM 165 CB PHE A 813 -1.207 -12.621 23.740 1.00 0.00 C ATOM 166 CG PHE A 813 -1.395 -11.687 24.912 1.00 0.00 C ATOM 167 CD1 PHE A 813 -1.669 -10.332 24.691 1.00 0.00 C ATOM 168 CD2 PHE A 813 -1.293 -12.177 26.220 1.00 0.00 C ATOM 169 CE1 PHE A 813 -1.843 -9.467 25.778 1.00 0.00 C ATOM 170 CE2 PHE A 813 -1.466 -11.312 27.307 1.00 0.00 C ATOM 171 CZ PHE A 813 -1.741 -9.957 27.085 1.00 0.00 C ATOM 0 H PHE A 813 -0.241 -13.969 21.838 1.00 0.00 H new ATOM 0 HA PHE A 813 -0.261 -11.039 22.566 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -2.138 -12.712 23.181 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -0.949 -13.619 24.094 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -1.746 -9.954 23.682 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -1.081 -13.222 26.390 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -2.056 -8.422 25.608 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -1.387 -11.689 28.316 1.00 0.00 H new ATOM 0 HZ PHE A 813 -1.875 -9.289 27.923 1.00 0.00 H new ATOM 181 N ASP A 814 2.304 -12.419 22.803 1.00 0.00 N ATOM 182 CA ASP A 814 3.655 -12.505 23.431 1.00 0.00 C ATOM 183 C ASP A 814 4.661 -11.650 22.652 1.00 0.00 C ATOM 184 O ASP A 814 5.853 -11.885 22.695 1.00 0.00 O ATOM 185 CB ASP A 814 4.037 -13.986 23.355 1.00 0.00 C ATOM 186 CG ASP A 814 4.024 -14.450 21.897 1.00 0.00 C ATOM 187 OD1 ASP A 814 4.987 -14.174 21.200 1.00 0.00 O ATOM 188 OD2 ASP A 814 3.053 -15.073 21.502 1.00 0.00 O ATOM 0 H ASP A 814 2.283 -12.575 21.795 1.00 0.00 H new ATOM 0 HA ASP A 814 3.655 -12.136 24.457 1.00 0.00 H new ATOM 0 HB2 ASP A 814 5.027 -14.138 23.786 1.00 0.00 H new ATOM 0 HB3 ASP A 814 3.338 -14.582 23.942 1.00 0.00 H new ATOM 193 N ASP A 815 4.190 -10.659 21.942 1.00 0.00 N ATOM 194 CA ASP A 815 5.119 -9.791 21.161 1.00 0.00 C ATOM 195 C ASP A 815 4.520 -8.391 20.982 1.00 0.00 C ATOM 196 O ASP A 815 4.893 -7.659 20.086 1.00 0.00 O ATOM 197 CB ASP A 815 5.267 -10.487 19.808 1.00 0.00 C ATOM 198 CG ASP A 815 6.556 -11.310 19.794 1.00 0.00 C ATOM 199 OD1 ASP A 815 6.506 -12.460 20.199 1.00 0.00 O ATOM 200 OD2 ASP A 815 7.572 -10.777 19.377 1.00 0.00 O ATOM 0 H ASP A 815 3.203 -10.413 21.869 1.00 0.00 H new ATOM 0 HA ASP A 815 6.078 -9.661 21.662 1.00 0.00 H new ATOM 0 HB2 ASP A 815 4.409 -11.133 19.624 1.00 0.00 H new ATOM 0 HB3 ASP A 815 5.287 -9.748 19.007 1.00 0.00 H new ATOM 205 N VAL A 816 3.597 -8.013 21.827 1.00 0.00 N ATOM 206 CA VAL A 816 2.976 -6.660 21.705 1.00 0.00 C ATOM 207 C VAL A 816 2.854 -6.009 23.085 1.00 0.00 C ATOM 208 O VAL A 816 1.776 -5.893 23.635 1.00 0.00 O ATOM 209 CB VAL A 816 1.588 -6.898 21.100 1.00 0.00 C ATOM 210 CG1 VAL A 816 1.728 -7.304 19.631 1.00 0.00 C ATOM 211 CG2 VAL A 816 0.867 -8.011 21.869 1.00 0.00 C ATOM 0 H VAL A 816 3.246 -8.583 22.597 1.00 0.00 H new ATOM 0 HA VAL A 816 3.575 -5.992 21.086 1.00 0.00 H new ATOM 0 HB VAL A 816 1.008 -5.978 21.170 1.00 0.00 H new ATOM 0 HG11 VAL A 816 0.739 -7.472 19.204 1.00 0.00 H new ATOM 0 HG12 VAL A 816 2.230 -6.509 19.080 1.00 0.00 H new ATOM 0 HG13 VAL A 816 2.314 -8.220 19.561 1.00 0.00 H new ATOM 0 HG21 VAL A 816 -0.119 -8.175 21.433 1.00 0.00 H new ATOM 0 HG22 VAL A 816 1.448 -8.931 21.807 1.00 0.00 H new ATOM 0 HG23 VAL A 816 0.758 -7.720 22.914 1.00 0.00 H new ATOM 221 N GLU A 817 3.952 -5.584 23.649 1.00 0.00 N ATOM 222 CA GLU A 817 3.902 -4.942 24.995 1.00 0.00 C ATOM 223 C GLU A 817 4.342 -3.476 24.908 1.00 0.00 C ATOM 224 O GLU A 817 3.966 -2.658 25.724 1.00 0.00 O ATOM 225 CB GLU A 817 4.876 -5.748 25.859 1.00 0.00 C ATOM 226 CG GLU A 817 6.278 -5.697 25.245 1.00 0.00 C ATOM 227 CD GLU A 817 7.293 -6.256 26.243 1.00 0.00 C ATOM 228 OE1 GLU A 817 7.116 -6.030 27.429 1.00 0.00 O ATOM 229 OE2 GLU A 817 8.231 -6.902 25.806 1.00 0.00 O ATOM 0 H GLU A 817 4.882 -5.653 23.236 1.00 0.00 H new ATOM 0 HA GLU A 817 2.894 -4.942 25.411 1.00 0.00 H new ATOM 0 HB2 GLU A 817 4.898 -5.345 26.872 1.00 0.00 H new ATOM 0 HB3 GLU A 817 4.539 -6.782 25.935 1.00 0.00 H new ATOM 0 HG2 GLU A 817 6.303 -6.276 24.322 1.00 0.00 H new ATOM 0 HG3 GLU A 817 6.535 -4.670 24.985 1.00 0.00 H new ATOM 236 N GLU A 818 5.135 -3.139 23.925 1.00 0.00 N ATOM 237 CA GLU A 818 5.597 -1.727 23.788 1.00 0.00 C ATOM 238 C GLU A 818 6.196 -1.495 22.398 1.00 0.00 C ATOM 239 O GLU A 818 6.724 -2.399 21.781 1.00 0.00 O ATOM 240 CB GLU A 818 6.667 -1.556 24.869 1.00 0.00 C ATOM 241 CG GLU A 818 6.466 -0.218 25.583 1.00 0.00 C ATOM 242 CD GLU A 818 7.001 -0.317 27.014 1.00 0.00 C ATOM 243 OE1 GLU A 818 6.880 -1.382 27.598 1.00 0.00 O ATOM 244 OE2 GLU A 818 7.522 0.673 27.501 1.00 0.00 O ATOM 0 H GLU A 818 5.482 -3.780 23.212 1.00 0.00 H new ATOM 0 HA GLU A 818 4.781 -1.013 23.903 1.00 0.00 H new ATOM 0 HB2 GLU A 818 6.608 -2.375 25.586 1.00 0.00 H new ATOM 0 HB3 GLU A 818 7.660 -1.595 24.421 1.00 0.00 H new ATOM 0 HG2 GLU A 818 6.984 0.575 25.044 1.00 0.00 H new ATOM 0 HG3 GLU A 818 5.408 0.044 25.596 1.00 0.00 H new ATOM 251 N ASP A 819 6.116 -0.288 21.903 1.00 0.00 N ATOM 252 CA ASP A 819 6.682 0.007 20.554 1.00 0.00 C ATOM 253 C ASP A 819 7.663 1.180 20.639 1.00 0.00 C ATOM 254 O ASP A 819 7.344 2.230 21.163 1.00 0.00 O ATOM 255 CB ASP A 819 5.474 0.378 19.691 1.00 0.00 C ATOM 256 CG ASP A 819 4.597 -0.856 19.483 1.00 0.00 C ATOM 257 OD1 ASP A 819 5.148 -1.925 19.283 1.00 0.00 O ATOM 258 OD2 ASP A 819 3.386 -0.711 19.526 1.00 0.00 O ATOM 0 H ASP A 819 5.683 0.506 22.375 1.00 0.00 H new ATOM 0 HA ASP A 819 7.233 -0.838 20.142 1.00 0.00 H new ATOM 0 HB2 ASP A 819 4.899 1.169 20.173 1.00 0.00 H new ATOM 0 HB3 ASP A 819 5.807 0.767 18.729 1.00 0.00 H new ATOM 263 N GLU A 820 8.853 1.008 20.129 1.00 0.00 N ATOM 264 CA GLU A 820 9.856 2.112 20.182 1.00 0.00 C ATOM 265 C GLU A 820 9.961 2.796 18.814 1.00 0.00 C ATOM 266 O GLU A 820 11.030 2.916 18.248 1.00 0.00 O ATOM 267 CB GLU A 820 11.177 1.430 20.551 1.00 0.00 C ATOM 268 CG GLU A 820 11.722 2.034 21.848 1.00 0.00 C ATOM 269 CD GLU A 820 13.250 2.087 21.786 1.00 0.00 C ATOM 270 OE1 GLU A 820 13.856 1.034 21.679 1.00 0.00 O ATOM 271 OE2 GLU A 820 13.788 3.180 21.846 1.00 0.00 O ATOM 0 H GLU A 820 9.174 0.151 19.678 1.00 0.00 H new ATOM 0 HA GLU A 820 9.585 2.885 20.901 1.00 0.00 H new ATOM 0 HB2 GLU A 820 11.023 0.358 20.674 1.00 0.00 H new ATOM 0 HB3 GLU A 820 11.901 1.558 19.746 1.00 0.00 H new ATOM 0 HG2 GLU A 820 11.319 3.036 21.992 1.00 0.00 H new ATOM 0 HG3 GLU A 820 11.403 1.436 22.702 1.00 0.00 H new ATOM 278 N GLY A 821 8.855 3.245 18.280 1.00 0.00 N ATOM 279 CA GLY A 821 8.887 3.920 16.952 1.00 0.00 C ATOM 280 C GLY A 821 9.273 2.908 15.872 1.00 0.00 C ATOM 281 O GLY A 821 10.214 3.108 15.130 1.00 0.00 O ATOM 0 H GLY A 821 7.932 3.173 18.707 1.00 0.00 H new ATOM 0 HA2 GLY A 821 7.911 4.352 16.728 1.00 0.00 H new ATOM 0 HA3 GLY A 821 9.603 4.742 16.967 1.00 0.00 H new ATOM 285 N LEU A 822 8.553 1.822 15.780 1.00 0.00 N ATOM 286 CA LEU A 822 8.877 0.794 14.749 1.00 0.00 C ATOM 287 C LEU A 822 8.036 1.024 13.489 1.00 0.00 C ATOM 288 O LEU A 822 8.431 0.672 12.395 1.00 0.00 O ATOM 289 CB LEU A 822 8.517 -0.543 15.397 1.00 0.00 C ATOM 290 CG LEU A 822 9.338 -1.661 14.749 1.00 0.00 C ATOM 291 CD1 LEU A 822 9.232 -2.929 15.598 1.00 0.00 C ATOM 292 CD2 LEU A 822 8.797 -1.941 13.346 1.00 0.00 C ATOM 0 H LEU A 822 7.754 1.602 16.375 1.00 0.00 H new ATOM 0 HA LEU A 822 9.923 0.831 14.443 1.00 0.00 H new ATOM 0 HB2 LEU A 822 8.715 -0.505 16.468 1.00 0.00 H new ATOM 0 HB3 LEU A 822 7.452 -0.743 15.277 1.00 0.00 H new ATOM 0 HG LEU A 822 10.382 -1.354 14.683 1.00 0.00 H new ATOM 0 HD11 LEU A 822 9.816 -3.725 15.137 1.00 0.00 H new ATOM 0 HD12 LEU A 822 9.616 -2.730 16.599 1.00 0.00 H new ATOM 0 HD13 LEU A 822 8.188 -3.236 15.664 1.00 0.00 H new ATOM 0 HD21 LEU A 822 9.381 -2.737 12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 822 7.753 -2.248 13.413 1.00 0.00 H new ATOM 0 HD23 LEU A 822 8.871 -1.038 12.741 1.00 0.00 H new ATOM 304 N ASP A 823 6.880 1.612 13.637 1.00 0.00 N ATOM 305 CA ASP A 823 6.012 1.866 12.450 1.00 0.00 C ATOM 306 C ASP A 823 6.353 3.220 11.817 1.00 0.00 C ATOM 307 O ASP A 823 5.989 3.495 10.691 1.00 0.00 O ATOM 308 CB ASP A 823 4.583 1.875 12.997 1.00 0.00 C ATOM 309 CG ASP A 823 3.998 0.464 12.917 1.00 0.00 C ATOM 310 OD1 ASP A 823 4.512 -0.409 13.598 1.00 0.00 O ATOM 311 OD2 ASP A 823 3.046 0.279 12.176 1.00 0.00 O ATOM 0 H ASP A 823 6.498 1.928 14.529 1.00 0.00 H new ATOM 0 HA ASP A 823 6.148 1.112 11.674 1.00 0.00 H new ATOM 0 HB2 ASP A 823 4.580 2.224 14.030 1.00 0.00 H new ATOM 0 HB3 ASP A 823 3.967 2.569 12.424 1.00 0.00 H new ATOM 316 N ASP A 824 7.051 4.067 12.529 1.00 0.00 N ATOM 317 CA ASP A 824 7.414 5.399 11.961 1.00 0.00 C ATOM 318 C ASP A 824 8.797 5.342 11.302 1.00 0.00 C ATOM 319 O ASP A 824 9.376 6.358 10.972 1.00 0.00 O ATOM 320 CB ASP A 824 7.430 6.349 13.160 1.00 0.00 C ATOM 321 CG ASP A 824 6.160 7.204 13.154 1.00 0.00 C ATOM 322 OD1 ASP A 824 5.083 6.629 13.158 1.00 0.00 O ATOM 323 OD2 ASP A 824 6.285 8.418 13.146 1.00 0.00 O ATOM 0 H ASP A 824 7.385 3.894 13.477 1.00 0.00 H new ATOM 0 HA ASP A 824 6.713 5.722 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 824 7.493 5.780 14.087 1.00 0.00 H new ATOM 0 HB3 ASP A 824 8.312 6.989 13.118 1.00 0.00 H new ATOM 328 N LEU A 825 9.328 4.164 11.105 1.00 0.00 N ATOM 329 CA LEU A 825 10.672 4.046 10.464 1.00 0.00 C ATOM 330 C LEU A 825 10.690 2.857 9.500 1.00 0.00 C ATOM 331 O LEU A 825 10.780 3.022 8.299 1.00 0.00 O ATOM 332 CB LEU A 825 11.646 3.818 11.622 1.00 0.00 C ATOM 333 CG LEU A 825 12.888 4.690 11.424 1.00 0.00 C ATOM 334 CD1 LEU A 825 12.547 6.147 11.740 1.00 0.00 C ATOM 335 CD2 LEU A 825 13.999 4.213 12.363 1.00 0.00 C ATOM 0 H LEU A 825 8.890 3.279 11.360 1.00 0.00 H new ATOM 0 HA LEU A 825 10.935 4.930 9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 825 11.165 4.062 12.569 1.00 0.00 H new ATOM 0 HB3 LEU A 825 11.931 2.767 11.670 1.00 0.00 H new ATOM 0 HG LEU A 825 13.224 4.612 10.390 1.00 0.00 H new ATOM 0 HD11 LEU A 825 13.432 6.767 11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 825 11.755 6.488 11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 825 12.210 6.226 12.774 1.00 0.00 H new ATOM 0 HD21 LEU A 825 14.885 4.833 12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 825 13.661 4.291 13.396 1.00 0.00 H new ATOM 0 HD23 LEU A 825 14.244 3.175 12.139 1.00 0.00 H new ATOM 347 N GLU A 826 10.605 1.658 10.018 1.00 0.00 N ATOM 348 CA GLU A 826 10.615 0.452 9.135 1.00 0.00 C ATOM 349 C GLU A 826 11.822 0.497 8.180 1.00 0.00 C ATOM 350 O GLU A 826 12.957 0.447 8.613 1.00 0.00 O ATOM 351 CB GLU A 826 9.283 0.511 8.378 1.00 0.00 C ATOM 352 CG GLU A 826 9.033 -0.824 7.674 1.00 0.00 C ATOM 353 CD GLU A 826 8.700 -1.896 8.714 1.00 0.00 C ATOM 354 OE1 GLU A 826 7.539 -2.002 9.075 1.00 0.00 O ATOM 355 OE2 GLU A 826 9.611 -2.593 9.129 1.00 0.00 O ATOM 0 H GLU A 826 10.529 1.462 11.016 1.00 0.00 H new ATOM 0 HA GLU A 826 10.713 -0.480 9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 826 8.469 0.727 9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 826 9.304 1.320 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 826 8.212 -0.724 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 826 9.914 -1.117 7.104 1.00 0.00 H new ATOM 362 N ASN A 827 11.597 0.588 6.891 1.00 0.00 N ATOM 363 CA ASN A 827 12.739 0.634 5.928 1.00 0.00 C ATOM 364 C ASN A 827 13.656 -0.578 6.129 1.00 0.00 C ATOM 365 O ASN A 827 14.797 -0.445 6.526 1.00 0.00 O ATOM 366 CB ASN A 827 13.483 1.933 6.244 1.00 0.00 C ATOM 367 CG ASN A 827 14.442 2.264 5.099 1.00 0.00 C ATOM 368 OD1 ASN A 827 14.133 2.033 3.946 1.00 0.00 O ATOM 369 ND2 ASN A 827 15.601 2.800 5.369 1.00 0.00 N ATOM 0 H ASN A 827 10.671 0.632 6.466 1.00 0.00 H new ATOM 0 HA ASN A 827 12.401 0.605 4.892 1.00 0.00 H new ATOM 0 HB2 ASN A 827 12.772 2.747 6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 827 14.036 1.830 7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 827 16.247 3.025 4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 827 15.860 2.994 6.336 1.00 0.00 H new ATOM 376 N ALA A 828 13.164 -1.757 5.856 1.00 0.00 N ATOM 377 CA ALA A 828 14.002 -2.978 6.027 1.00 0.00 C ATOM 378 C ALA A 828 14.895 -3.177 4.794 1.00 0.00 C ATOM 379 O ALA A 828 15.446 -2.231 4.265 1.00 0.00 O ATOM 380 CB ALA A 828 12.995 -4.123 6.174 1.00 0.00 C ATOM 0 H ALA A 828 12.216 -1.927 5.521 1.00 0.00 H new ATOM 0 HA ALA A 828 14.669 -2.917 6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 828 13.530 -5.064 6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 828 12.362 -3.942 7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 828 12.375 -4.180 5.279 1.00 0.00 H new ATOM 386 N GLU A 829 15.045 -4.393 4.330 1.00 0.00 N ATOM 387 CA GLU A 829 15.903 -4.635 3.133 1.00 0.00 C ATOM 388 C GLU A 829 15.072 -4.543 1.847 1.00 0.00 C ATOM 389 O GLU A 829 15.458 -5.054 0.814 1.00 0.00 O ATOM 390 CB GLU A 829 16.444 -6.053 3.318 1.00 0.00 C ATOM 391 CG GLU A 829 17.817 -6.166 2.652 1.00 0.00 C ATOM 392 CD GLU A 829 18.447 -7.514 3.009 1.00 0.00 C ATOM 393 OE1 GLU A 829 17.712 -8.483 3.104 1.00 0.00 O ATOM 394 OE2 GLU A 829 19.655 -7.554 3.180 1.00 0.00 O ATOM 0 H GLU A 829 14.611 -5.226 4.728 1.00 0.00 H new ATOM 0 HA GLU A 829 16.701 -3.897 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 829 16.522 -6.288 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 829 15.755 -6.776 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 829 17.717 -6.074 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 829 18.462 -5.352 2.983 1.00 0.00 H new ATOM 401 N GLU A 830 13.935 -3.893 1.899 1.00 0.00 N ATOM 402 CA GLU A 830 13.077 -3.765 0.680 1.00 0.00 C ATOM 403 C GLU A 830 12.742 -5.149 0.102 1.00 0.00 C ATOM 404 O GLU A 830 12.329 -5.263 -1.035 1.00 0.00 O ATOM 405 CB GLU A 830 13.914 -2.958 -0.320 1.00 0.00 C ATOM 406 CG GLU A 830 13.464 -1.495 -0.302 1.00 0.00 C ATOM 407 CD GLU A 830 14.122 -0.773 0.875 1.00 0.00 C ATOM 408 OE1 GLU A 830 15.274 -1.062 1.153 1.00 0.00 O ATOM 409 OE2 GLU A 830 13.463 0.058 1.477 1.00 0.00 O ATOM 0 H GLU A 830 13.563 -3.444 2.736 1.00 0.00 H new ATOM 0 HA GLU A 830 12.127 -3.280 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 830 14.971 -3.027 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 830 13.801 -3.372 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 830 13.736 -1.008 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 830 12.379 -1.438 -0.216 1.00 0.00 H new ATOM 416 N GLU A 831 12.910 -6.201 0.869 1.00 0.00 N ATOM 417 CA GLU A 831 12.596 -7.561 0.343 1.00 0.00 C ATOM 418 C GLU A 831 11.102 -7.859 0.507 1.00 0.00 C ATOM 419 O GLU A 831 10.527 -7.632 1.554 1.00 0.00 O ATOM 420 CB GLU A 831 13.430 -8.518 1.194 1.00 0.00 C ATOM 421 CG GLU A 831 13.809 -9.745 0.361 1.00 0.00 C ATOM 422 CD GLU A 831 13.786 -10.992 1.247 1.00 0.00 C ATOM 423 OE1 GLU A 831 14.658 -11.110 2.092 1.00 0.00 O ATOM 424 OE2 GLU A 831 12.898 -11.807 1.064 1.00 0.00 O ATOM 0 H GLU A 831 13.249 -6.174 1.831 1.00 0.00 H new ATOM 0 HA GLU A 831 12.825 -7.656 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 831 14.329 -8.015 1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 831 12.866 -8.824 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 831 13.113 -9.863 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 831 14.801 -9.612 -0.071 1.00 0.00 H new ATOM 431 N GLY A 832 10.474 -8.365 -0.520 1.00 0.00 N ATOM 432 CA GLY A 832 9.020 -8.679 -0.426 1.00 0.00 C ATOM 433 C GLY A 832 8.765 -10.084 -0.972 1.00 0.00 C ATOM 434 O GLY A 832 9.587 -10.971 -0.837 1.00 0.00 O ATOM 0 H GLY A 832 10.906 -8.574 -1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 832 8.690 -8.615 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 832 8.442 -7.947 -0.991 1.00 0.00 H new ATOM 438 N GLN A 833 7.633 -10.294 -1.588 1.00 0.00 N ATOM 439 CA GLN A 833 7.322 -11.644 -2.146 1.00 0.00 C ATOM 440 C GLN A 833 6.120 -11.557 -3.078 1.00 0.00 C ATOM 441 O GLN A 833 5.246 -12.401 -3.078 1.00 0.00 O ATOM 442 CB GLN A 833 7.002 -12.511 -0.931 1.00 0.00 C ATOM 443 CG GLN A 833 5.804 -11.911 -0.193 1.00 0.00 C ATOM 444 CD GLN A 833 5.598 -12.640 1.136 1.00 0.00 C ATOM 445 OE1 GLN A 833 6.539 -13.141 1.720 1.00 0.00 O ATOM 446 NE2 GLN A 833 4.398 -12.720 1.642 1.00 0.00 N ATOM 0 H GLN A 833 6.909 -9.590 -1.730 1.00 0.00 H new ATOM 0 HA GLN A 833 8.147 -12.054 -2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 833 6.779 -13.531 -1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 833 7.865 -12.563 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 833 5.970 -10.849 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 833 4.907 -11.994 -0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 833 3.609 -12.299 1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 833 4.249 -13.203 2.528 1.00 0.00 H new ATOM 455 N GLU A 834 6.081 -10.529 -3.863 1.00 0.00 N ATOM 456 CA GLU A 834 4.960 -10.331 -4.808 1.00 0.00 C ATOM 457 C GLU A 834 5.340 -9.189 -5.746 1.00 0.00 C ATOM 458 O GLU A 834 5.491 -8.059 -5.323 1.00 0.00 O ATOM 459 CB GLU A 834 3.762 -9.970 -3.913 1.00 0.00 C ATOM 460 CG GLU A 834 2.708 -9.175 -4.695 1.00 0.00 C ATOM 461 CD GLU A 834 2.627 -7.752 -4.135 1.00 0.00 C ATOM 462 OE1 GLU A 834 2.783 -7.598 -2.935 1.00 0.00 O ATOM 463 OE2 GLU A 834 2.408 -6.841 -4.914 1.00 0.00 O ATOM 0 H GLU A 834 6.795 -9.801 -3.891 1.00 0.00 H new ATOM 0 HA GLU A 834 4.727 -11.198 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 834 3.314 -10.881 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 834 4.105 -9.384 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 834 2.968 -9.147 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 834 1.737 -9.664 -4.618 1.00 0.00 H new ATOM 470 N ASN A 835 5.487 -9.465 -7.016 1.00 0.00 N ATOM 471 CA ASN A 835 5.844 -8.377 -7.961 1.00 0.00 C ATOM 472 C ASN A 835 4.795 -7.318 -7.791 1.00 0.00 C ATOM 473 O ASN A 835 3.620 -7.594 -7.762 1.00 0.00 O ATOM 474 CB ASN A 835 5.830 -8.926 -9.392 1.00 0.00 C ATOM 475 CG ASN A 835 6.431 -10.333 -9.433 1.00 0.00 C ATOM 476 OD1 ASN A 835 7.300 -10.652 -8.649 1.00 0.00 O ATOM 477 ND2 ASN A 835 6.013 -11.188 -10.327 1.00 0.00 N ATOM 0 H ASN A 835 5.376 -10.389 -7.432 1.00 0.00 H new ATOM 0 HA ASN A 835 6.838 -7.973 -7.768 1.00 0.00 H new ATOM 0 HB2 ASN A 835 4.807 -8.950 -9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 835 6.395 -8.264 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 835 6.417 -12.124 -10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 835 5.282 -10.920 -10.986 1.00 0.00 H new ATOM 484 N VAL A 836 5.203 -6.141 -7.580 1.00 0.00 N ATOM 485 CA VAL A 836 4.205 -5.079 -7.318 1.00 0.00 C ATOM 486 C VAL A 836 4.420 -3.840 -8.186 1.00 0.00 C ATOM 487 O VAL A 836 5.443 -3.188 -8.123 1.00 0.00 O ATOM 488 CB VAL A 836 4.444 -4.758 -5.843 1.00 0.00 C ATOM 489 CG1 VAL A 836 5.911 -4.394 -5.656 1.00 0.00 C ATOM 490 CG2 VAL A 836 3.582 -3.584 -5.383 1.00 0.00 C ATOM 0 H VAL A 836 6.179 -5.845 -7.573 1.00 0.00 H new ATOM 0 HA VAL A 836 3.188 -5.397 -7.548 1.00 0.00 H new ATOM 0 HB VAL A 836 4.178 -5.633 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 836 6.098 -4.162 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 836 6.536 -5.234 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 836 6.151 -3.525 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 836 3.776 -3.381 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 836 3.825 -2.701 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 836 2.529 -3.831 -5.517 1.00 0.00 H new ATOM 500 N GLU A 837 3.432 -3.474 -8.953 1.00 0.00 N ATOM 501 CA GLU A 837 3.565 -2.232 -9.760 1.00 0.00 C ATOM 502 C GLU A 837 2.648 -1.202 -9.133 1.00 0.00 C ATOM 503 O GLU A 837 1.857 -1.526 -8.268 1.00 0.00 O ATOM 504 CB GLU A 837 3.128 -2.558 -11.184 1.00 0.00 C ATOM 505 CG GLU A 837 3.661 -1.485 -12.135 1.00 0.00 C ATOM 506 CD GLU A 837 3.537 -1.976 -13.578 1.00 0.00 C ATOM 507 OE1 GLU A 837 2.430 -1.973 -14.092 1.00 0.00 O ATOM 508 OE2 GLU A 837 4.551 -2.347 -14.147 1.00 0.00 O ATOM 0 H GLU A 837 2.549 -3.974 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 837 4.585 -1.848 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 837 3.504 -3.538 -11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 837 2.040 -2.603 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 837 3.101 -0.559 -12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 837 4.703 -1.263 -11.903 1.00 0.00 H new ATOM 515 N ILE A 838 2.739 0.025 -9.529 1.00 0.00 N ATOM 516 CA ILE A 838 1.869 1.041 -8.906 1.00 0.00 C ATOM 517 C ILE A 838 1.346 2.013 -9.961 1.00 0.00 C ATOM 518 O ILE A 838 1.999 2.305 -10.943 1.00 0.00 O ATOM 519 CB ILE A 838 2.786 1.751 -7.903 1.00 0.00 C ATOM 520 CG1 ILE A 838 3.152 0.779 -6.758 1.00 0.00 C ATOM 521 CG2 ILE A 838 2.095 3.003 -7.355 1.00 0.00 C ATOM 522 CD1 ILE A 838 2.656 1.301 -5.404 1.00 0.00 C ATOM 0 H ILE A 838 3.373 0.367 -10.251 1.00 0.00 H new ATOM 0 HA ILE A 838 0.988 0.613 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 838 3.703 2.061 -8.404 1.00 0.00 H new ATOM 0 HG12 ILE A 838 2.715 -0.200 -6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 838 4.233 0.644 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 838 2.754 3.500 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 838 1.869 3.683 -8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 838 1.170 2.718 -6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 838 2.929 0.595 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 838 3.114 2.268 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 838 1.572 1.411 -5.432 1.00 0.00 H new ATOM 534 N LEU A 839 0.172 2.514 -9.745 1.00 0.00 N ATOM 535 CA LEU A 839 -0.437 3.480 -10.706 1.00 0.00 C ATOM 536 C LEU A 839 -1.513 4.305 -9.989 1.00 0.00 C ATOM 537 O LEU A 839 -1.923 3.952 -8.902 1.00 0.00 O ATOM 538 CB LEU A 839 -1.065 2.614 -11.802 1.00 0.00 C ATOM 539 CG LEU A 839 -0.232 2.716 -13.084 1.00 0.00 C ATOM 540 CD1 LEU A 839 0.672 1.486 -13.208 1.00 0.00 C ATOM 541 CD2 LEU A 839 -1.167 2.785 -14.294 1.00 0.00 C ATOM 0 H LEU A 839 -0.406 2.297 -8.933 1.00 0.00 H new ATOM 0 HA LEU A 839 0.292 4.179 -11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -1.118 1.576 -11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -2.087 2.939 -11.995 1.00 0.00 H new ATOM 0 HG LEU A 839 0.383 3.615 -13.046 1.00 0.00 H new ATOM 0 HD11 LEU A 839 1.264 1.560 -14.120 1.00 0.00 H new ATOM 0 HD12 LEU A 839 1.338 1.436 -12.347 1.00 0.00 H new ATOM 0 HD13 LEU A 839 0.058 0.586 -13.246 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -0.576 2.858 -15.207 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -1.782 1.886 -14.330 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -1.810 3.661 -14.207 1.00 0.00 H new ATOM 553 N PRO A 840 -1.947 5.377 -10.612 1.00 0.00 N ATOM 554 CA PRO A 840 -2.987 6.237 -9.999 1.00 0.00 C ATOM 555 C PRO A 840 -4.237 5.415 -9.692 1.00 0.00 C ATOM 556 O PRO A 840 -4.705 4.649 -10.511 1.00 0.00 O ATOM 557 CB PRO A 840 -3.253 7.278 -11.083 1.00 0.00 C ATOM 558 CG PRO A 840 -2.341 6.978 -12.290 1.00 0.00 C ATOM 559 CD PRO A 840 -1.442 5.782 -11.946 1.00 0.00 C ATOM 0 HA PRO A 840 -2.688 6.685 -9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -4.300 7.251 -11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -3.057 8.280 -10.701 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -2.943 6.757 -13.172 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -1.733 7.850 -12.530 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -1.537 4.979 -12.677 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -0.389 6.061 -11.914 1.00 0.00 H new ATOM 566 N SER A 841 -4.767 5.559 -8.509 1.00 0.00 N ATOM 567 CA SER A 841 -5.961 4.780 -8.119 1.00 0.00 C ATOM 568 C SER A 841 -7.049 4.892 -9.165 1.00 0.00 C ATOM 569 O SER A 841 -7.280 5.925 -9.761 1.00 0.00 O ATOM 570 CB SER A 841 -6.427 5.385 -6.792 1.00 0.00 C ATOM 571 OG SER A 841 -7.839 5.565 -6.811 1.00 0.00 O ATOM 0 H SER A 841 -4.415 6.193 -7.792 1.00 0.00 H new ATOM 0 HA SER A 841 -5.731 3.719 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 841 -6.146 4.732 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 841 -5.932 6.342 -6.625 1.00 0.00 H new ATOM 0 HG SER A 841 -8.131 5.951 -5.959 1.00 0.00 H new ATOM 577 N GLY A 842 -7.719 3.815 -9.359 1.00 0.00 N ATOM 578 CA GLY A 842 -8.835 3.786 -10.348 1.00 0.00 C ATOM 579 C GLY A 842 -8.317 3.378 -11.725 1.00 0.00 C ATOM 580 O GLY A 842 -8.150 4.200 -12.605 1.00 0.00 O ATOM 0 H GLY A 842 -7.550 2.933 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 842 -9.602 3.085 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 842 -9.304 4.768 -10.405 1.00 0.00 H new ATOM 584 N GLU A 843 -8.079 2.111 -11.924 1.00 0.00 N ATOM 585 CA GLU A 843 -7.592 1.645 -13.254 1.00 0.00 C ATOM 586 C GLU A 843 -8.368 0.404 -13.680 1.00 0.00 C ATOM 587 O GLU A 843 -7.804 -0.618 -14.017 1.00 0.00 O ATOM 588 CB GLU A 843 -6.109 1.327 -13.057 1.00 0.00 C ATOM 589 CG GLU A 843 -5.276 2.580 -13.333 1.00 0.00 C ATOM 590 CD GLU A 843 -5.160 2.796 -14.842 1.00 0.00 C ATOM 591 OE1 GLU A 843 -4.513 1.988 -15.489 1.00 0.00 O ATOM 592 OE2 GLU A 843 -5.721 3.765 -15.327 1.00 0.00 O ATOM 0 H GLU A 843 -8.200 1.379 -11.225 1.00 0.00 H new ATOM 0 HA GLU A 843 -7.733 2.392 -14.035 1.00 0.00 H new ATOM 0 HB2 GLU A 843 -5.933 0.978 -12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 843 -5.807 0.522 -13.727 1.00 0.00 H new ATOM 0 HG2 GLU A 843 -5.741 3.448 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 843 -4.284 2.474 -12.893 1.00 0.00 H new ATOM 599 N ARG A 844 -9.665 0.497 -13.655 1.00 0.00 N ATOM 600 CA ARG A 844 -10.513 -0.669 -14.046 1.00 0.00 C ATOM 601 C ARG A 844 -10.944 -0.608 -15.526 1.00 0.00 C ATOM 602 O ARG A 844 -10.730 -1.549 -16.262 1.00 0.00 O ATOM 603 CB ARG A 844 -11.725 -0.636 -13.106 1.00 0.00 C ATOM 604 CG ARG A 844 -11.688 -1.850 -12.176 1.00 0.00 C ATOM 605 CD ARG A 844 -12.107 -3.102 -12.950 1.00 0.00 C ATOM 606 NE ARG A 844 -12.635 -4.034 -11.915 1.00 0.00 N ATOM 607 CZ ARG A 844 -13.483 -4.967 -12.249 1.00 0.00 C ATOM 608 NH1 ARG A 844 -13.280 -5.680 -13.324 1.00 0.00 N ATOM 609 NH2 ARG A 844 -14.535 -5.188 -11.509 1.00 0.00 N ATOM 0 H ARG A 844 -10.181 1.333 -13.380 1.00 0.00 H new ATOM 0 HA ARG A 844 -9.957 -1.602 -13.952 1.00 0.00 H new ATOM 0 HB2 ARG A 844 -11.719 0.283 -12.520 1.00 0.00 H new ATOM 0 HB3 ARG A 844 -12.648 -0.638 -13.686 1.00 0.00 H new ATOM 0 HG2 ARG A 844 -10.685 -1.980 -11.770 1.00 0.00 H new ATOM 0 HG3 ARG A 844 -12.356 -1.693 -11.329 1.00 0.00 H new ATOM 0 HD2 ARG A 844 -12.867 -2.869 -13.696 1.00 0.00 H new ATOM 0 HD3 ARG A 844 -11.262 -3.539 -13.481 1.00 0.00 H new ATOM 0 HE ARG A 844 -12.333 -3.943 -10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 844 -12.458 -5.507 -13.903 1.00 0.00 H new ATOM 0 HH12 ARG A 844 -13.943 -6.410 -13.585 1.00 0.00 H new ATOM 0 HH21 ARG A 844 -14.694 -4.631 -10.669 1.00 0.00 H new ATOM 0 HH22 ARG A 844 -15.198 -5.918 -11.770 1.00 0.00 H new ATOM 623 N PRO A 845 -11.543 0.488 -15.910 1.00 0.00 N ATOM 624 CA PRO A 845 -12.017 0.672 -17.306 1.00 0.00 C ATOM 625 C PRO A 845 -10.833 0.760 -18.277 1.00 0.00 C ATOM 626 O PRO A 845 -10.669 1.738 -18.980 1.00 0.00 O ATOM 627 CB PRO A 845 -12.759 2.013 -17.227 1.00 0.00 C ATOM 628 CG PRO A 845 -12.665 2.543 -15.784 1.00 0.00 C ATOM 629 CD PRO A 845 -11.781 1.589 -14.971 1.00 0.00 C ATOM 0 HA PRO A 845 -12.635 -0.149 -17.670 1.00 0.00 H new ATOM 0 HB2 PRO A 845 -12.321 2.729 -17.922 1.00 0.00 H new ATOM 0 HB3 PRO A 845 -13.802 1.886 -17.516 1.00 0.00 H new ATOM 0 HG2 PRO A 845 -12.244 3.548 -15.777 1.00 0.00 H new ATOM 0 HG3 PRO A 845 -13.658 2.610 -15.340 1.00 0.00 H new ATOM 0 HD2 PRO A 845 -10.851 2.065 -14.661 1.00 0.00 H new ATOM 0 HD3 PRO A 845 -12.281 1.247 -14.065 1.00 0.00 H new ATOM 636 N GLN A 846 -10.010 -0.255 -18.325 1.00 0.00 N ATOM 637 CA GLN A 846 -8.837 -0.232 -19.252 1.00 0.00 C ATOM 638 C GLN A 846 -8.082 -1.554 -19.165 1.00 0.00 C ATOM 639 O GLN A 846 -7.571 -2.064 -20.144 1.00 0.00 O ATOM 640 CB GLN A 846 -7.953 0.922 -18.766 1.00 0.00 C ATOM 641 CG GLN A 846 -6.689 1.000 -19.624 1.00 0.00 C ATOM 642 CD GLN A 846 -6.138 2.426 -19.596 1.00 0.00 C ATOM 643 OE1 GLN A 846 -6.884 3.379 -19.701 1.00 0.00 O ATOM 644 NE2 GLN A 846 -4.854 2.614 -19.458 1.00 0.00 N ATOM 0 H GLN A 846 -10.099 -1.101 -17.762 1.00 0.00 H new ATOM 0 HA GLN A 846 -9.137 -0.097 -20.291 1.00 0.00 H new ATOM 0 HB2 GLN A 846 -8.502 1.862 -18.823 1.00 0.00 H new ATOM 0 HB3 GLN A 846 -7.685 0.772 -17.720 1.00 0.00 H new ATOM 0 HG2 GLN A 846 -5.940 0.302 -19.250 1.00 0.00 H new ATOM 0 HG3 GLN A 846 -6.914 0.706 -20.649 1.00 0.00 H new ATOM 0 HE21 GLN A 846 -4.228 1.814 -19.370 1.00 0.00 H new ATOM 0 HE22 GLN A 846 -4.476 3.561 -19.438 1.00 0.00 H new ATOM 653 N ALA A 847 -8.013 -2.105 -17.994 1.00 0.00 N ATOM 654 CA ALA A 847 -7.296 -3.398 -17.808 1.00 0.00 C ATOM 655 C ALA A 847 -8.291 -4.523 -17.528 1.00 0.00 C ATOM 656 O ALA A 847 -8.249 -5.568 -18.146 1.00 0.00 O ATOM 657 CB ALA A 847 -6.383 -3.175 -16.603 1.00 0.00 C ATOM 0 H ALA A 847 -8.425 -1.715 -17.146 1.00 0.00 H new ATOM 0 HA ALA A 847 -6.735 -3.689 -18.696 1.00 0.00 H new ATOM 0 HB1 ALA A 847 -5.819 -4.085 -16.401 1.00 0.00 H new ATOM 0 HB2 ALA A 847 -5.692 -2.359 -16.816 1.00 0.00 H new ATOM 0 HB3 ALA A 847 -6.986 -2.921 -15.731 1.00 0.00 H new ATOM 663 N ASN A 848 -9.181 -4.318 -16.593 1.00 0.00 N ATOM 664 CA ASN A 848 -10.183 -5.378 -16.254 1.00 0.00 C ATOM 665 C ASN A 848 -9.462 -6.704 -15.991 1.00 0.00 C ATOM 666 O ASN A 848 -9.177 -7.455 -16.904 1.00 0.00 O ATOM 667 CB ASN A 848 -11.084 -5.489 -17.486 1.00 0.00 C ATOM 668 CG ASN A 848 -12.504 -5.856 -17.050 1.00 0.00 C ATOM 669 OD1 ASN A 848 -13.270 -4.999 -16.655 1.00 0.00 O ATOM 670 ND2 ASN A 848 -12.889 -7.101 -17.103 1.00 0.00 N ATOM 0 H ASN A 848 -9.259 -3.460 -16.046 1.00 0.00 H new ATOM 0 HA ASN A 848 -10.757 -5.138 -15.359 1.00 0.00 H new ATOM 0 HB2 ASN A 848 -11.092 -4.544 -18.030 1.00 0.00 H new ATOM 0 HB3 ASN A 848 -10.695 -6.246 -18.167 1.00 0.00 H new ATOM 0 HD21 ASN A 848 -13.833 -7.356 -16.813 1.00 0.00 H new ATOM 0 HD22 ASN A 848 -12.246 -7.820 -17.435 1.00 0.00 H new ATOM 677 N GLN A 849 -9.142 -6.988 -14.756 1.00 0.00 N ATOM 678 CA GLN A 849 -8.413 -8.253 -14.459 1.00 0.00 C ATOM 679 C GLN A 849 -8.940 -8.918 -13.177 1.00 0.00 C ATOM 680 O GLN A 849 -10.030 -8.638 -12.721 1.00 0.00 O ATOM 681 CB GLN A 849 -6.964 -7.809 -14.257 1.00 0.00 C ATOM 682 CG GLN A 849 -6.008 -8.773 -14.963 1.00 0.00 C ATOM 683 CD GLN A 849 -4.568 -8.331 -14.687 1.00 0.00 C ATOM 684 OE1 GLN A 849 -4.247 -7.923 -13.488 1.00 0.00 O flip ATOM 685 NE2 GLN A 849 -3.731 -8.360 -15.567 1.00 0.00 N flip ATOM 0 H GLN A 849 -9.352 -6.403 -13.947 1.00 0.00 H new ATOM 0 HA GLN A 849 -8.533 -8.987 -15.255 1.00 0.00 H new ATOM 0 HB2 GLN A 849 -6.828 -6.801 -14.648 1.00 0.00 H new ATOM 0 HB3 GLN A 849 -6.733 -7.772 -13.192 1.00 0.00 H new ATOM 0 HG2 GLN A 849 -6.166 -9.790 -14.605 1.00 0.00 H new ATOM 0 HG3 GLN A 849 -6.202 -8.779 -16.036 1.00 0.00 H new ATOM 0 HE21 GLN A 849 -3.985 -8.679 -16.502 1.00 0.00 H new ATOM 0 HE22 GLN A 849 -2.774 -8.065 -15.371 1.00 0.00 H new ATOM 694 N LYS A 850 -8.146 -9.797 -12.604 1.00 0.00 N ATOM 695 CA LYS A 850 -8.512 -10.527 -11.353 1.00 0.00 C ATOM 696 C LYS A 850 -7.631 -11.763 -11.274 1.00 0.00 C ATOM 697 O LYS A 850 -7.087 -12.208 -12.266 1.00 0.00 O ATOM 698 CB LYS A 850 -9.977 -10.950 -11.471 1.00 0.00 C ATOM 699 CG LYS A 850 -10.853 -10.025 -10.622 1.00 0.00 C ATOM 700 CD LYS A 850 -11.106 -10.669 -9.255 1.00 0.00 C ATOM 701 CE LYS A 850 -12.552 -10.409 -8.826 1.00 0.00 C ATOM 702 NZ LYS A 850 -12.661 -8.927 -8.719 1.00 0.00 N ATOM 0 H LYS A 850 -7.226 -10.043 -12.970 1.00 0.00 H new ATOM 0 HA LYS A 850 -8.375 -9.909 -10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 850 -10.294 -10.911 -12.513 1.00 0.00 H new ATOM 0 HB3 LYS A 850 -10.095 -11.982 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 850 -10.364 -9.059 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 850 -11.800 -9.839 -11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 850 -10.918 -11.741 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 850 -10.417 -10.260 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 850 -13.258 -10.805 -9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 850 -12.774 -10.891 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 850 -13.435 -8.682 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 850 -11.767 -8.538 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 850 -12.857 -8.525 -9.658 1.00 0.00 H new ATOM 716 N ARG A 851 -7.485 -12.325 -10.119 1.00 0.00 N ATOM 717 CA ARG A 851 -6.629 -13.547 -10.006 1.00 0.00 C ATOM 718 C ARG A 851 -6.583 -14.106 -8.579 1.00 0.00 C ATOM 719 O ARG A 851 -7.239 -15.085 -8.281 1.00 0.00 O ATOM 720 CB ARG A 851 -5.227 -13.114 -10.451 1.00 0.00 C ATOM 721 CG ARG A 851 -4.801 -13.916 -11.687 1.00 0.00 C ATOM 722 CD ARG A 851 -4.518 -12.962 -12.854 1.00 0.00 C ATOM 723 NE ARG A 851 -5.380 -13.448 -13.967 1.00 0.00 N ATOM 724 CZ ARG A 851 -4.858 -13.691 -15.138 1.00 0.00 C ATOM 725 NH1 ARG A 851 -4.123 -12.788 -15.725 1.00 0.00 N ATOM 726 NH2 ARG A 851 -5.071 -14.840 -15.721 1.00 0.00 N ATOM 0 H ARG A 851 -7.912 -12.004 -9.250 1.00 0.00 H new ATOM 0 HA ARG A 851 -7.035 -14.349 -10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 851 -5.221 -12.048 -10.679 1.00 0.00 H new ATOM 0 HB3 ARG A 851 -4.514 -13.271 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 851 -3.911 -14.503 -11.462 1.00 0.00 H new ATOM 0 HG3 ARG A 851 -5.586 -14.620 -11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 851 -4.759 -11.932 -12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 851 -3.465 -12.982 -13.133 1.00 0.00 H new ATOM 0 HE ARG A 851 -6.378 -13.591 -13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 851 -3.956 -11.891 -15.269 1.00 0.00 H new ATOM 0 HH12 ARG A 851 -3.715 -12.979 -16.640 1.00 0.00 H new ATOM 0 HH21 ARG A 851 -5.645 -15.547 -15.261 1.00 0.00 H new ATOM 0 HH22 ARG A 851 -4.663 -15.031 -16.636 1.00 0.00 H new ATOM 740 N ILE A 852 -5.786 -13.538 -7.697 1.00 0.00 N ATOM 741 CA ILE A 852 -5.706 -14.124 -6.318 1.00 0.00 C ATOM 742 C ILE A 852 -5.378 -13.082 -5.240 1.00 0.00 C ATOM 743 O ILE A 852 -5.548 -13.347 -4.065 1.00 0.00 O ATOM 744 CB ILE A 852 -4.596 -15.214 -6.367 1.00 0.00 C ATOM 745 CG1 ILE A 852 -3.256 -14.661 -5.848 1.00 0.00 C ATOM 746 CG2 ILE A 852 -4.394 -15.736 -7.794 1.00 0.00 C ATOM 747 CD1 ILE A 852 -2.839 -13.428 -6.656 1.00 0.00 C ATOM 0 H ILE A 852 -5.204 -12.718 -7.866 1.00 0.00 H new ATOM 0 HA ILE A 852 -6.677 -14.535 -6.042 1.00 0.00 H new ATOM 0 HB ILE A 852 -4.925 -16.032 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 852 -3.347 -14.399 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 852 -2.486 -15.429 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 852 -3.613 -16.496 -7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 852 -5.325 -16.172 -8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 852 -4.101 -14.912 -8.445 1.00 0.00 H new ATOM 0 HD11 ILE A 852 -1.890 -13.049 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 852 -2.728 -13.701 -7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 852 -3.602 -12.656 -6.561 1.00 0.00 H new ATOM 759 N THR A 853 -4.904 -11.915 -5.600 1.00 0.00 N ATOM 760 CA THR A 853 -4.574 -10.908 -4.578 1.00 0.00 C ATOM 761 C THR A 853 -5.732 -10.777 -3.622 1.00 0.00 C ATOM 762 O THR A 853 -6.851 -10.496 -3.999 1.00 0.00 O ATOM 763 CB THR A 853 -4.357 -9.620 -5.347 1.00 0.00 C ATOM 764 OG1 THR A 853 -5.430 -9.423 -6.259 1.00 0.00 O ATOM 765 CG2 THR A 853 -3.038 -9.712 -6.111 1.00 0.00 C ATOM 0 H THR A 853 -4.735 -11.627 -6.564 1.00 0.00 H new ATOM 0 HA THR A 853 -3.694 -11.170 -3.990 1.00 0.00 H new ATOM 0 HB THR A 853 -4.320 -8.779 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 853 -6.002 -8.694 -5.939 1.00 0.00 H new ATOM 0 HG21 THR A 853 -2.874 -8.789 -6.667 1.00 0.00 H new ATOM 0 HG22 THR A 853 -2.219 -9.861 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 853 -3.077 -10.552 -6.805 1.00 0.00 H new ATOM 773 N THR A 854 -5.463 -10.994 -2.390 1.00 0.00 N ATOM 774 CA THR A 854 -6.533 -10.900 -1.372 1.00 0.00 C ATOM 775 C THR A 854 -7.234 -9.549 -1.526 1.00 0.00 C ATOM 776 O THR A 854 -6.583 -8.530 -1.450 1.00 0.00 O ATOM 777 CB THR A 854 -5.817 -10.992 -0.019 1.00 0.00 C ATOM 778 OG1 THR A 854 -6.771 -10.876 1.027 1.00 0.00 O ATOM 779 CG2 THR A 854 -4.783 -9.868 0.104 1.00 0.00 C ATOM 0 H THR A 854 -4.540 -11.236 -2.029 1.00 0.00 H new ATOM 0 HA THR A 854 -7.286 -11.682 -1.468 1.00 0.00 H new ATOM 0 HB THR A 854 -5.308 -11.953 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 854 -6.316 -10.936 1.893 1.00 0.00 H new ATOM 0 HG21 THR A 854 -4.279 -9.941 1.068 1.00 0.00 H new ATOM 0 HG22 THR A 854 -4.049 -9.959 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 854 -5.284 -8.903 0.029 1.00 0.00 H new ATOM 787 N PRO A 855 -8.533 -9.573 -1.740 1.00 0.00 N ATOM 788 CA PRO A 855 -9.289 -8.309 -1.894 1.00 0.00 C ATOM 789 C PRO A 855 -8.965 -7.436 -0.694 1.00 0.00 C ATOM 790 O PRO A 855 -9.742 -7.300 0.230 1.00 0.00 O ATOM 791 CB PRO A 855 -10.744 -8.791 -1.900 1.00 0.00 C ATOM 792 CG PRO A 855 -10.751 -10.329 -1.765 1.00 0.00 C ATOM 793 CD PRO A 855 -9.301 -10.831 -1.820 1.00 0.00 C ATOM 0 HA PRO A 855 -9.064 -7.717 -2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -11.297 -8.336 -1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -11.239 -8.489 -2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -11.218 -10.624 -0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -11.337 -10.777 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -9.071 -11.502 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -9.094 -11.377 -2.740 1.00 0.00 H new ATOM 800 N TYR A 856 -7.778 -6.889 -0.697 1.00 0.00 N ATOM 801 CA TYR A 856 -7.299 -6.072 0.436 1.00 0.00 C ATOM 802 C TYR A 856 -5.835 -5.780 0.169 1.00 0.00 C ATOM 803 O TYR A 856 -4.987 -6.641 0.306 1.00 0.00 O ATOM 804 CB TYR A 856 -7.453 -6.966 1.668 1.00 0.00 C ATOM 805 CG TYR A 856 -6.869 -6.324 2.909 1.00 0.00 C ATOM 806 CD1 TYR A 856 -5.483 -6.189 3.061 1.00 0.00 C ATOM 807 CD2 TYR A 856 -7.723 -5.886 3.928 1.00 0.00 C ATOM 808 CE1 TYR A 856 -4.957 -5.621 4.224 1.00 0.00 C ATOM 809 CE2 TYR A 856 -7.197 -5.313 5.090 1.00 0.00 C ATOM 810 CZ TYR A 856 -5.813 -5.180 5.238 1.00 0.00 C ATOM 811 OH TYR A 856 -5.292 -4.620 6.387 1.00 0.00 O ATOM 0 H TYR A 856 -7.110 -6.982 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 856 -7.836 -5.133 0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 856 -8.509 -7.179 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 856 -6.960 -7.921 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 856 -4.820 -6.525 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 856 -8.792 -5.991 3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 856 -3.888 -5.522 4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 856 -7.859 -4.973 5.873 1.00 0.00 H new ATOM 0 HH TYR A 856 -5.927 -3.969 6.751 1.00 0.00 H new ATOM 821 N MET A 857 -5.535 -4.604 -0.255 1.00 0.00 N ATOM 822 CA MET A 857 -4.121 -4.275 -0.576 1.00 0.00 C ATOM 823 C MET A 857 -3.227 -4.605 0.618 1.00 0.00 C ATOM 824 O MET A 857 -3.696 -4.696 1.735 1.00 0.00 O ATOM 825 CB MET A 857 -4.105 -2.776 -0.843 1.00 0.00 C ATOM 826 CG MET A 857 -2.692 -2.323 -1.237 1.00 0.00 C ATOM 827 SD MET A 857 -2.697 -1.702 -2.935 1.00 0.00 S ATOM 828 CE MET A 857 -3.645 -0.205 -2.611 1.00 0.00 C ATOM 0 H MET A 857 -6.203 -3.846 -0.397 1.00 0.00 H new ATOM 0 HA MET A 857 -3.752 -4.843 -1.430 1.00 0.00 H new ATOM 0 HB2 MET A 857 -4.808 -2.534 -1.640 1.00 0.00 H new ATOM 0 HB3 MET A 857 -4.433 -2.237 0.046 1.00 0.00 H new ATOM 0 HG2 MET A 857 -2.347 -1.544 -0.557 1.00 0.00 H new ATOM 0 HG3 MET A 857 -1.995 -3.156 -1.147 1.00 0.00 H new ATOM 0 HE1 MET A 857 -3.699 0.395 -3.519 1.00 0.00 H new ATOM 0 HE2 MET A 857 -4.652 -0.474 -2.293 1.00 0.00 H new ATOM 0 HE3 MET A 857 -3.158 0.371 -1.824 1.00 0.00 H new ATOM 838 N THR A 858 -1.950 -4.795 0.411 1.00 0.00 N ATOM 839 CA THR A 858 -1.081 -5.132 1.572 1.00 0.00 C ATOM 840 C THR A 858 0.078 -4.160 1.725 1.00 0.00 C ATOM 841 O THR A 858 0.666 -3.708 0.763 1.00 0.00 O ATOM 842 CB THR A 858 -0.615 -6.550 1.294 1.00 0.00 C ATOM 843 OG1 THR A 858 -0.008 -6.612 0.010 1.00 0.00 O ATOM 844 CG2 THR A 858 -1.843 -7.455 1.338 1.00 0.00 C ATOM 0 H THR A 858 -1.481 -4.733 -0.492 1.00 0.00 H new ATOM 0 HA THR A 858 -1.615 -5.057 2.520 1.00 0.00 H new ATOM 0 HB THR A 858 0.119 -6.869 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 858 0.877 -7.026 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 858 -1.543 -8.485 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 858 -2.305 -7.393 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 858 -2.558 -7.135 0.581 1.00 0.00 H new ATOM 852 N LYS A 859 0.364 -3.822 2.959 1.00 0.00 N ATOM 853 CA LYS A 859 1.456 -2.851 3.296 1.00 0.00 C ATOM 854 C LYS A 859 2.561 -2.739 2.223 1.00 0.00 C ATOM 855 O LYS A 859 3.099 -1.668 2.029 1.00 0.00 O ATOM 856 CB LYS A 859 2.046 -3.375 4.607 1.00 0.00 C ATOM 857 CG LYS A 859 2.613 -4.780 4.393 1.00 0.00 C ATOM 858 CD LYS A 859 2.745 -5.489 5.742 1.00 0.00 C ATOM 859 CE LYS A 859 3.066 -6.969 5.513 1.00 0.00 C ATOM 860 NZ LYS A 859 2.884 -7.611 6.844 1.00 0.00 N ATOM 0 H LYS A 859 -0.129 -4.190 3.772 1.00 0.00 H new ATOM 0 HA LYS A 859 1.046 -1.843 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 859 2.831 -2.705 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 859 1.278 -3.396 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 859 1.960 -5.351 3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 859 3.586 -4.720 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 859 3.532 -5.023 6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 859 1.819 -5.390 6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 859 2.401 -7.407 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 859 4.084 -7.100 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 859 3.086 -8.628 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 859 3.535 -7.178 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 859 1.904 -7.475 7.164 1.00 0.00 H new ATOM 874 N TYR A 860 2.931 -3.789 1.516 1.00 0.00 N ATOM 875 CA TYR A 860 4.005 -3.589 0.498 1.00 0.00 C ATOM 876 C TYR A 860 3.476 -2.706 -0.610 1.00 0.00 C ATOM 877 O TYR A 860 4.093 -1.726 -0.970 1.00 0.00 O ATOM 878 CB TYR A 860 4.399 -4.949 -0.057 1.00 0.00 C ATOM 879 CG TYR A 860 5.443 -4.753 -1.155 1.00 0.00 C ATOM 880 CD1 TYR A 860 6.166 -3.547 -1.231 1.00 0.00 C ATOM 881 CD2 TYR A 860 5.682 -5.759 -2.104 1.00 0.00 C ATOM 882 CE1 TYR A 860 7.113 -3.346 -2.231 1.00 0.00 C ATOM 883 CE2 TYR A 860 6.637 -5.551 -3.108 1.00 0.00 C ATOM 884 CZ TYR A 860 7.351 -4.347 -3.170 1.00 0.00 C ATOM 885 OH TYR A 860 8.289 -4.154 -4.164 1.00 0.00 O ATOM 0 H TYR A 860 2.552 -4.733 1.597 1.00 0.00 H new ATOM 0 HA TYR A 860 4.876 -3.111 0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 860 4.801 -5.578 0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 860 3.524 -5.461 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 860 5.984 -2.769 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 860 5.133 -6.688 -2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 860 7.662 -2.417 -2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 860 6.824 -6.324 -3.839 1.00 0.00 H new ATOM 0 HH TYR A 860 8.505 -5.014 -4.581 1.00 0.00 H new ATOM 895 N GLU A 861 2.323 -3.019 -1.140 1.00 0.00 N ATOM 896 CA GLU A 861 1.758 -2.139 -2.199 1.00 0.00 C ATOM 897 C GLU A 861 1.892 -0.711 -1.678 1.00 0.00 C ATOM 898 O GLU A 861 2.284 0.200 -2.380 1.00 0.00 O ATOM 899 CB GLU A 861 0.298 -2.558 -2.336 1.00 0.00 C ATOM 900 CG GLU A 861 0.227 -4.043 -2.716 1.00 0.00 C ATOM 901 CD GLU A 861 -1.199 -4.405 -3.132 1.00 0.00 C ATOM 902 OE1 GLU A 861 -1.582 -4.055 -4.235 1.00 0.00 O ATOM 903 OE2 GLU A 861 -1.883 -5.027 -2.338 1.00 0.00 O ATOM 0 H GLU A 861 1.758 -3.831 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 861 2.251 -2.209 -3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 861 -0.231 -2.386 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 861 -0.196 -1.953 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 861 0.918 -4.252 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 861 0.536 -4.659 -1.872 1.00 0.00 H new ATOM 910 N ARG A 862 1.632 -0.553 -0.407 1.00 0.00 N ATOM 911 CA ARG A 862 1.807 0.776 0.248 1.00 0.00 C ATOM 912 C ARG A 862 3.298 1.122 0.268 1.00 0.00 C ATOM 913 O ARG A 862 3.696 2.236 -0.013 1.00 0.00 O ATOM 914 CB ARG A 862 1.314 0.599 1.681 1.00 0.00 C ATOM 915 CG ARG A 862 1.853 1.744 2.553 1.00 0.00 C ATOM 916 CD ARG A 862 3.147 1.300 3.243 1.00 0.00 C ATOM 917 NE ARG A 862 4.135 2.370 2.936 1.00 0.00 N ATOM 918 CZ ARG A 862 5.048 2.687 3.814 1.00 0.00 C ATOM 919 NH1 ARG A 862 4.838 3.667 4.649 1.00 0.00 N ATOM 920 NH2 ARG A 862 6.170 2.021 3.856 1.00 0.00 N ATOM 0 H ARG A 862 1.303 -1.295 0.211 1.00 0.00 H new ATOM 0 HA ARG A 862 1.266 1.567 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 862 0.224 0.592 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 862 1.647 -0.361 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 862 2.040 2.625 1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 862 1.110 2.027 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 862 3.004 1.192 4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 862 3.483 0.333 2.867 1.00 0.00 H new ATOM 0 HE ARG A 862 4.099 2.856 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 862 3.960 4.186 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 862 5.551 3.914 5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 862 6.333 1.254 3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 862 6.884 2.268 4.541 1.00 0.00 H new ATOM 934 N ALA A 863 4.128 0.174 0.606 1.00 0.00 N ATOM 935 CA ALA A 863 5.593 0.465 0.636 1.00 0.00 C ATOM 936 C ALA A 863 6.106 0.700 -0.790 1.00 0.00 C ATOM 937 O ALA A 863 7.129 1.328 -1.007 1.00 0.00 O ATOM 938 CB ALA A 863 6.243 -0.774 1.253 1.00 0.00 C ATOM 0 H ALA A 863 3.863 -0.778 0.860 1.00 0.00 H new ATOM 0 HA ALA A 863 5.826 1.361 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 863 7.322 -0.630 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 863 5.848 -0.931 2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 863 6.023 -1.646 0.636 1.00 0.00 H new ATOM 944 N ARG A 864 5.359 0.276 -1.765 1.00 0.00 N ATOM 945 CA ARG A 864 5.763 0.531 -3.173 1.00 0.00 C ATOM 946 C ARG A 864 5.170 1.889 -3.489 1.00 0.00 C ATOM 947 O ARG A 864 5.769 2.761 -4.085 1.00 0.00 O ATOM 948 CB ARG A 864 5.127 -0.591 -3.999 1.00 0.00 C ATOM 949 CG ARG A 864 6.202 -1.291 -4.831 1.00 0.00 C ATOM 950 CD ARG A 864 6.916 -0.272 -5.728 1.00 0.00 C ATOM 951 NE ARG A 864 8.013 -1.037 -6.385 1.00 0.00 N ATOM 952 CZ ARG A 864 8.785 -0.450 -7.258 1.00 0.00 C ATOM 953 NH1 ARG A 864 9.226 0.757 -7.032 1.00 0.00 N ATOM 954 NH2 ARG A 864 9.117 -1.071 -8.357 1.00 0.00 N ATOM 0 H ARG A 864 4.485 -0.237 -1.649 1.00 0.00 H new ATOM 0 HA ARG A 864 6.835 0.539 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 864 4.639 -1.309 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 864 4.356 -0.183 -4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 864 6.923 -1.778 -4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 864 5.750 -2.072 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 864 6.234 0.151 -6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 864 7.310 0.560 -5.144 1.00 0.00 H new ATOM 0 HE ARG A 864 8.160 -2.019 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 864 8.967 1.242 -6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 864 9.829 1.216 -7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 864 8.773 -2.015 -8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 864 9.720 -0.612 -9.040 1.00 0.00 H new ATOM 968 N VAL A 865 3.991 2.054 -2.972 1.00 0.00 N ATOM 969 CA VAL A 865 3.233 3.321 -3.051 1.00 0.00 C ATOM 970 C VAL A 865 4.113 4.436 -2.532 1.00 0.00 C ATOM 971 O VAL A 865 4.376 5.409 -3.183 1.00 0.00 O ATOM 972 CB VAL A 865 2.108 3.019 -2.075 1.00 0.00 C ATOM 973 CG1 VAL A 865 1.774 4.212 -1.206 1.00 0.00 C ATOM 974 CG2 VAL A 865 0.901 2.570 -2.839 1.00 0.00 C ATOM 0 H VAL A 865 3.498 1.316 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 865 2.895 3.625 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 865 2.439 2.224 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 865 0.965 3.950 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 865 2.654 4.501 -0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 865 1.462 5.045 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 865 0.091 2.352 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 865 0.589 3.359 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 865 1.143 1.672 -3.407 1.00 0.00 H new ATOM 984 N LEU A 866 4.579 4.241 -1.350 1.00 0.00 N ATOM 985 CA LEU A 866 5.485 5.202 -0.693 1.00 0.00 C ATOM 986 C LEU A 866 6.634 5.445 -1.646 1.00 0.00 C ATOM 987 O LEU A 866 7.105 6.550 -1.811 1.00 0.00 O ATOM 988 CB LEU A 866 5.928 4.485 0.607 1.00 0.00 C ATOM 989 CG LEU A 866 7.440 4.639 0.869 1.00 0.00 C ATOM 990 CD1 LEU A 866 7.687 4.752 2.378 1.00 0.00 C ATOM 991 CD2 LEU A 866 8.186 3.411 0.339 1.00 0.00 C ATOM 0 H LEU A 866 4.361 3.420 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 866 5.047 6.171 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 866 5.371 4.891 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 866 5.678 3.426 0.539 1.00 0.00 H new ATOM 0 HG LEU A 866 7.799 5.535 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 866 8.755 4.861 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 866 7.160 5.622 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 866 7.322 3.853 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 866 9.254 3.525 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 866 7.822 2.517 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 866 8.014 3.316 -0.733 1.00 0.00 H new ATOM 1003 N GLY A 867 7.066 4.409 -2.298 1.00 0.00 N ATOM 1004 CA GLY A 867 8.159 4.577 -3.266 1.00 0.00 C ATOM 1005 C GLY A 867 7.660 5.397 -4.442 1.00 0.00 C ATOM 1006 O GLY A 867 8.265 6.378 -4.817 1.00 0.00 O ATOM 0 H GLY A 867 6.707 3.459 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 867 9.006 5.074 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 867 8.511 3.604 -3.609 1.00 0.00 H new ATOM 1010 N THR A 868 6.552 5.023 -5.021 1.00 0.00 N ATOM 1011 CA THR A 868 6.061 5.830 -6.183 1.00 0.00 C ATOM 1012 C THR A 868 5.463 7.146 -5.697 1.00 0.00 C ATOM 1013 O THR A 868 5.335 8.090 -6.450 1.00 0.00 O ATOM 1014 CB THR A 868 5.041 4.991 -6.959 1.00 0.00 C ATOM 1015 OG1 THR A 868 5.341 5.084 -8.345 1.00 0.00 O ATOM 1016 CG2 THR A 868 3.623 5.523 -6.722 1.00 0.00 C ATOM 0 H THR A 868 5.979 4.222 -4.755 1.00 0.00 H new ATOM 0 HA THR A 868 6.887 6.083 -6.848 1.00 0.00 H new ATOM 0 HB THR A 868 5.093 3.956 -6.621 1.00 0.00 H new ATOM 0 HG1 THR A 868 4.697 4.550 -8.856 1.00 0.00 H new ATOM 0 HG21 THR A 868 2.909 4.917 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 868 3.389 5.473 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 868 3.562 6.558 -7.059 1.00 0.00 H new ATOM 1024 N ARG A 869 5.149 7.237 -4.441 1.00 0.00 N ATOM 1025 CA ARG A 869 4.620 8.507 -3.913 1.00 0.00 C ATOM 1026 C ARG A 869 5.838 9.350 -3.648 1.00 0.00 C ATOM 1027 O ARG A 869 5.935 10.482 -4.064 1.00 0.00 O ATOM 1028 CB ARG A 869 3.891 8.152 -2.615 1.00 0.00 C ATOM 1029 CG ARG A 869 2.469 7.691 -2.940 1.00 0.00 C ATOM 1030 CD ARG A 869 1.539 8.907 -3.011 1.00 0.00 C ATOM 1031 NE ARG A 869 0.799 8.757 -4.296 1.00 0.00 N ATOM 1032 CZ ARG A 869 -0.286 9.452 -4.506 1.00 0.00 C ATOM 1033 NH1 ARG A 869 -1.277 9.386 -3.660 1.00 0.00 N ATOM 1034 NH2 ARG A 869 -0.380 10.212 -5.563 1.00 0.00 N ATOM 0 H ARG A 869 5.238 6.483 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 869 3.933 9.036 -4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 869 4.429 7.364 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 869 3.862 9.017 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.457 7.155 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 869 2.118 6.996 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 869 0.855 8.930 -2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 869 2.105 9.838 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 869 1.140 8.113 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 869 -1.204 8.791 -2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 869 -2.125 9.929 -3.824 1.00 0.00 H new ATOM 0 HH21 ARG A 869 0.394 10.263 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 869 -1.228 10.755 -5.727 1.00 0.00 H new ATOM 1048 N ALA A 870 6.791 8.762 -2.982 1.00 0.00 N ATOM 1049 CA ALA A 870 8.060 9.485 -2.698 1.00 0.00 C ATOM 1050 C ALA A 870 8.652 10.129 -3.964 1.00 0.00 C ATOM 1051 O ALA A 870 9.302 11.148 -3.886 1.00 0.00 O ATOM 1052 CB ALA A 870 9.000 8.406 -2.176 1.00 0.00 C ATOM 0 H ALA A 870 6.745 7.809 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 870 7.903 10.301 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 870 9.967 8.850 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 870 8.576 7.958 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 870 9.130 7.637 -2.938 1.00 0.00 H new ATOM 1058 N LEU A 871 8.437 9.569 -5.126 1.00 0.00 N ATOM 1059 CA LEU A 871 9.015 10.230 -6.362 1.00 0.00 C ATOM 1060 C LEU A 871 8.026 11.230 -6.909 1.00 0.00 C ATOM 1061 O LEU A 871 8.399 12.285 -7.395 1.00 0.00 O ATOM 1062 CB LEU A 871 9.359 9.168 -7.434 1.00 0.00 C ATOM 1063 CG LEU A 871 8.936 7.761 -7.023 1.00 0.00 C ATOM 1064 CD1 LEU A 871 8.538 6.979 -8.272 1.00 0.00 C ATOM 1065 CD2 LEU A 871 10.113 7.067 -6.332 1.00 0.00 C ATOM 0 H LEU A 871 7.907 8.712 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 871 9.935 10.749 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 871 8.869 9.431 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 871 10.433 9.181 -7.621 1.00 0.00 H new ATOM 0 HG LEU A 871 8.090 7.808 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 871 8.234 5.971 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 871 7.708 7.483 -8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 871 9.387 6.924 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 871 9.818 6.060 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 871 10.957 7.010 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 871 10.403 7.636 -5.448 1.00 0.00 H new ATOM 1077 N GLN A 872 6.766 10.931 -6.804 1.00 0.00 N ATOM 1078 CA GLN A 872 5.746 11.891 -7.285 1.00 0.00 C ATOM 1079 C GLN A 872 6.123 13.255 -6.711 1.00 0.00 C ATOM 1080 O GLN A 872 6.484 14.177 -7.417 1.00 0.00 O ATOM 1081 CB GLN A 872 4.435 11.362 -6.701 1.00 0.00 C ATOM 1082 CG GLN A 872 3.504 10.905 -7.832 1.00 0.00 C ATOM 1083 CD GLN A 872 3.568 9.384 -7.974 1.00 0.00 C ATOM 1084 OE1 GLN A 872 2.800 8.671 -7.362 1.00 0.00 O ATOM 1085 NE2 GLN A 872 4.462 8.854 -8.764 1.00 0.00 N ATOM 0 H GLN A 872 6.400 10.066 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 872 5.668 11.992 -8.367 1.00 0.00 H new ATOM 0 HB2 GLN A 872 4.637 10.530 -6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 872 3.950 12.140 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 872 2.481 11.217 -7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 872 3.795 11.379 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 872 5.107 9.453 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 872 4.515 7.841 -8.867 1.00 0.00 H new ATOM 1094 N ILE A 873 6.091 13.346 -5.421 1.00 0.00 N ATOM 1095 CA ILE A 873 6.492 14.592 -4.714 1.00 0.00 C ATOM 1096 C ILE A 873 7.946 14.902 -4.961 1.00 0.00 C ATOM 1097 O ILE A 873 8.331 16.051 -5.042 1.00 0.00 O ATOM 1098 CB ILE A 873 6.327 14.286 -3.237 1.00 0.00 C ATOM 1099 CG1 ILE A 873 6.677 12.810 -2.955 1.00 0.00 C ATOM 1100 CG2 ILE A 873 4.896 14.590 -2.864 1.00 0.00 C ATOM 1101 CD1 ILE A 873 8.009 12.735 -2.227 1.00 0.00 C ATOM 0 H ILE A 873 5.796 12.589 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 873 5.896 15.439 -5.054 1.00 0.00 H new ATOM 0 HB ILE A 873 7.002 14.897 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 873 5.895 12.348 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 873 6.730 12.253 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 873 4.743 14.380 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 873 4.684 15.641 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 873 4.225 13.968 -3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 873 8.256 11.692 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 873 8.788 13.181 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 873 7.940 13.278 -1.284 1.00 0.00 H new ATOM 1113 N ALA A 874 8.768 13.897 -5.093 1.00 0.00 N ATOM 1114 CA ALA A 874 10.201 14.183 -5.344 1.00 0.00 C ATOM 1115 C ALA A 874 10.303 15.087 -6.556 1.00 0.00 C ATOM 1116 O ALA A 874 11.290 15.763 -6.767 1.00 0.00 O ATOM 1117 CB ALA A 874 10.873 12.840 -5.581 1.00 0.00 C ATOM 0 H ALA A 874 8.513 12.911 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 874 10.686 14.691 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 874 11.935 12.993 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 874 10.750 12.211 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 874 10.417 12.352 -6.442 1.00 0.00 H new ATOM 1123 N MET A 875 9.247 15.162 -7.316 1.00 0.00 N ATOM 1124 CA MET A 875 9.254 16.099 -8.462 1.00 0.00 C ATOM 1125 C MET A 875 8.622 17.388 -7.950 1.00 0.00 C ATOM 1126 O MET A 875 9.255 18.418 -7.831 1.00 0.00 O ATOM 1127 CB MET A 875 8.388 15.443 -9.542 1.00 0.00 C ATOM 1128 CG MET A 875 8.738 16.037 -10.908 1.00 0.00 C ATOM 1129 SD MET A 875 7.233 16.198 -11.904 1.00 0.00 S ATOM 1130 CE MET A 875 7.763 15.158 -13.287 1.00 0.00 C ATOM 0 H MET A 875 8.391 14.621 -7.192 1.00 0.00 H new ATOM 0 HA MET A 875 10.242 16.315 -8.868 1.00 0.00 H new ATOM 0 HB2 MET A 875 8.552 14.365 -9.550 1.00 0.00 H new ATOM 0 HB3 MET A 875 7.332 15.603 -9.324 1.00 0.00 H new ATOM 0 HG2 MET A 875 9.209 17.012 -10.782 1.00 0.00 H new ATOM 0 HG3 MET A 875 9.458 15.399 -11.420 1.00 0.00 H new ATOM 0 HE1 MET A 875 6.971 15.116 -14.035 1.00 0.00 H new ATOM 0 HE2 MET A 875 8.663 15.579 -13.735 1.00 0.00 H new ATOM 0 HE3 MET A 875 7.974 14.152 -12.925 1.00 0.00 H new ATOM 1140 N CYS A 876 7.381 17.291 -7.586 1.00 0.00 N ATOM 1141 CA CYS A 876 6.646 18.442 -6.995 1.00 0.00 C ATOM 1142 C CYS A 876 5.815 17.916 -5.828 1.00 0.00 C ATOM 1143 O CYS A 876 6.215 17.970 -4.684 1.00 0.00 O ATOM 1144 CB CYS A 876 5.760 18.988 -8.119 1.00 0.00 C ATOM 1145 SG CYS A 876 6.577 20.401 -8.902 1.00 0.00 S ATOM 0 H CYS A 876 6.827 16.439 -7.675 1.00 0.00 H new ATOM 0 HA CYS A 876 7.297 19.230 -6.616 1.00 0.00 H new ATOM 0 HB2 CYS A 876 5.571 18.209 -8.858 1.00 0.00 H new ATOM 0 HB3 CYS A 876 4.792 19.290 -7.719 1.00 0.00 H new ATOM 0 HG CYS A 876 5.825 20.862 -9.857 1.00 0.00 H new ATOM 1151 N ALA A 877 4.669 17.366 -6.129 1.00 0.00 N ATOM 1152 CA ALA A 877 3.804 16.787 -5.058 1.00 0.00 C ATOM 1153 C ALA A 877 2.466 16.221 -5.588 1.00 0.00 C ATOM 1154 O ALA A 877 1.433 16.467 -4.998 1.00 0.00 O ATOM 1155 CB ALA A 877 3.550 17.920 -4.076 1.00 0.00 C ATOM 0 H ALA A 877 4.293 17.292 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 877 4.307 15.936 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 877 2.919 17.562 -3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 877 4.500 18.271 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 877 3.049 18.741 -4.589 1.00 0.00 H new ATOM 1161 N PRO A 878 2.518 15.423 -6.637 1.00 0.00 N ATOM 1162 CA PRO A 878 1.287 14.769 -7.164 1.00 0.00 C ATOM 1163 C PRO A 878 0.701 13.872 -6.068 1.00 0.00 C ATOM 1164 O PRO A 878 -0.414 13.396 -6.145 1.00 0.00 O ATOM 1165 CB PRO A 878 1.825 13.911 -8.302 1.00 0.00 C ATOM 1166 CG PRO A 878 3.351 14.092 -8.374 1.00 0.00 C ATOM 1167 CD PRO A 878 3.776 15.136 -7.349 1.00 0.00 C ATOM 0 HA PRO A 878 0.508 15.463 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 878 1.576 12.863 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 878 1.364 14.203 -9.246 1.00 0.00 H new ATOM 0 HG2 PRO A 878 3.852 13.144 -8.176 1.00 0.00 H new ATOM 0 HG3 PRO A 878 3.646 14.406 -9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 878 4.544 14.754 -6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 878 4.184 16.028 -7.825 1.00 0.00 H new ATOM 1174 N VAL A 879 1.487 13.647 -5.057 1.00 0.00 N ATOM 1175 CA VAL A 879 1.091 12.791 -3.906 1.00 0.00 C ATOM 1176 C VAL A 879 -0.249 13.280 -3.338 1.00 0.00 C ATOM 1177 O VAL A 879 -0.860 14.194 -3.857 1.00 0.00 O ATOM 1178 CB VAL A 879 2.282 13.016 -2.940 1.00 0.00 C ATOM 1179 CG1 VAL A 879 1.937 12.792 -1.459 1.00 0.00 C ATOM 1180 CG2 VAL A 879 3.431 12.077 -3.346 1.00 0.00 C ATOM 0 H VAL A 879 2.426 14.037 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 879 0.927 11.737 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 879 2.568 14.064 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 879 2.822 12.969 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 879 1.147 13.481 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 879 1.597 11.766 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 879 4.276 12.225 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 879 3.094 11.042 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 879 3.737 12.298 -4.369 1.00 0.00 H new ATOM 1190 N MET A 880 -0.723 12.651 -2.308 1.00 0.00 N ATOM 1191 CA MET A 880 -2.049 13.040 -1.729 1.00 0.00 C ATOM 1192 C MET A 880 -1.875 14.081 -0.629 1.00 0.00 C ATOM 1193 O MET A 880 -2.777 14.356 0.137 1.00 0.00 O ATOM 1194 CB MET A 880 -2.611 11.744 -1.153 1.00 0.00 C ATOM 1195 CG MET A 880 -4.099 11.915 -0.822 1.00 0.00 C ATOM 1196 SD MET A 880 -5.034 12.259 -2.334 1.00 0.00 S ATOM 1197 CE MET A 880 -5.833 13.780 -1.762 1.00 0.00 C ATOM 0 H MET A 880 -0.254 11.879 -1.833 1.00 0.00 H new ATOM 0 HA MET A 880 -2.708 13.486 -2.474 1.00 0.00 H new ATOM 0 HB2 MET A 880 -2.481 10.932 -1.869 1.00 0.00 H new ATOM 0 HB3 MET A 880 -2.060 11.468 -0.254 1.00 0.00 H new ATOM 0 HG2 MET A 880 -4.480 11.011 -0.346 1.00 0.00 H new ATOM 0 HG3 MET A 880 -4.230 12.730 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 880 -6.472 14.175 -2.552 1.00 0.00 H new ATOM 0 HE2 MET A 880 -6.437 13.564 -0.881 1.00 0.00 H new ATOM 0 HE3 MET A 880 -5.072 14.518 -1.508 1.00 0.00 H new ATOM 1207 N VAL A 881 -0.731 14.686 -0.584 1.00 0.00 N ATOM 1208 CA VAL A 881 -0.458 15.737 0.408 1.00 0.00 C ATOM 1209 C VAL A 881 0.463 16.749 -0.266 1.00 0.00 C ATOM 1210 O VAL A 881 1.023 16.489 -1.313 1.00 0.00 O ATOM 1211 CB VAL A 881 0.213 15.039 1.601 1.00 0.00 C ATOM 1212 CG1 VAL A 881 -0.803 14.124 2.304 1.00 0.00 C ATOM 1213 CG2 VAL A 881 1.400 14.202 1.119 1.00 0.00 C ATOM 0 H VAL A 881 0.046 14.487 -1.214 1.00 0.00 H new ATOM 0 HA VAL A 881 -1.346 16.262 0.761 1.00 0.00 H new ATOM 0 HB VAL A 881 0.568 15.797 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -0.324 13.630 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -1.644 14.720 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -1.163 13.372 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 881 1.869 13.711 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 881 1.051 13.448 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 881 2.127 14.850 0.628 1.00 0.00 H new ATOM 1223 N GLU A 882 0.595 17.899 0.297 1.00 0.00 N ATOM 1224 CA GLU A 882 1.449 18.947 -0.337 1.00 0.00 C ATOM 1225 C GLU A 882 2.486 19.493 0.648 1.00 0.00 C ATOM 1226 O GLU A 882 2.356 20.594 1.146 1.00 0.00 O ATOM 1227 CB GLU A 882 0.469 20.051 -0.739 1.00 0.00 C ATOM 1228 CG GLU A 882 -0.341 19.599 -1.958 1.00 0.00 C ATOM 1229 CD GLU A 882 -1.719 19.112 -1.506 1.00 0.00 C ATOM 1230 OE1 GLU A 882 -1.805 18.558 -0.422 1.00 0.00 O ATOM 1231 OE2 GLU A 882 -2.667 19.301 -2.251 1.00 0.00 O ATOM 0 H GLU A 882 0.151 18.172 1.174 1.00 0.00 H new ATOM 0 HA GLU A 882 2.011 18.552 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 882 -0.200 20.278 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 882 1.012 20.967 -0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 882 -0.449 20.424 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 882 0.185 18.800 -2.481 1.00 0.00 H new ATOM 1238 N LEU A 883 3.519 18.743 0.926 1.00 0.00 N ATOM 1239 CA LEU A 883 4.559 19.242 1.871 1.00 0.00 C ATOM 1240 C LEU A 883 5.183 20.541 1.331 1.00 0.00 C ATOM 1241 O LEU A 883 4.760 21.625 1.681 1.00 0.00 O ATOM 1242 CB LEU A 883 5.597 18.118 1.953 1.00 0.00 C ATOM 1243 CG LEU A 883 6.724 18.526 2.904 1.00 0.00 C ATOM 1244 CD1 LEU A 883 6.421 18.003 4.310 1.00 0.00 C ATOM 1245 CD2 LEU A 883 8.045 17.928 2.414 1.00 0.00 C ATOM 0 H LEU A 883 3.687 17.813 0.542 1.00 0.00 H new ATOM 0 HA LEU A 883 4.152 19.479 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 883 5.126 17.200 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 883 6.001 17.910 0.962 1.00 0.00 H new ATOM 0 HG LEU A 883 6.802 19.613 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 883 7.224 18.294 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 883 5.480 18.426 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 883 6.343 16.916 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 883 8.849 18.218 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 883 7.966 16.841 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 883 8.263 18.298 1.412 1.00 0.00 H new ATOM 1257 N GLU A 884 6.185 20.449 0.489 1.00 0.00 N ATOM 1258 CA GLU A 884 6.819 21.693 -0.050 1.00 0.00 C ATOM 1259 C GLU A 884 7.239 21.531 -1.521 1.00 0.00 C ATOM 1260 O GLU A 884 7.798 22.438 -2.109 1.00 0.00 O ATOM 1261 CB GLU A 884 8.053 21.906 0.828 1.00 0.00 C ATOM 1262 CG GLU A 884 7.951 23.258 1.539 1.00 0.00 C ATOM 1263 CD GLU A 884 9.239 23.522 2.322 1.00 0.00 C ATOM 1264 OE1 GLU A 884 10.301 23.260 1.783 1.00 0.00 O ATOM 1265 OE2 GLU A 884 9.140 23.982 3.447 1.00 0.00 O ATOM 0 H GLU A 884 6.588 19.574 0.154 1.00 0.00 H new ATOM 0 HA GLU A 884 6.126 22.534 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 884 8.133 21.103 1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 884 8.956 21.872 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 884 7.786 24.052 0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 884 7.095 23.262 2.214 1.00 0.00 H new ATOM 1272 N GLY A 885 7.008 20.390 -2.114 1.00 0.00 N ATOM 1273 CA GLY A 885 7.427 20.186 -3.527 1.00 0.00 C ATOM 1274 C GLY A 885 8.450 19.045 -3.575 1.00 0.00 C ATOM 1275 O GLY A 885 8.665 18.442 -4.605 1.00 0.00 O ATOM 0 H GLY A 885 6.547 19.591 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 885 6.563 19.946 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 885 7.862 21.101 -3.928 1.00 0.00 H new ATOM 1279 N GLU A 886 9.068 18.755 -2.445 1.00 0.00 N ATOM 1280 CA GLU A 886 10.092 17.662 -2.332 1.00 0.00 C ATOM 1281 C GLU A 886 11.112 18.061 -1.274 1.00 0.00 C ATOM 1282 O GLU A 886 11.703 19.123 -1.337 1.00 0.00 O ATOM 1283 CB GLU A 886 10.792 17.529 -3.691 1.00 0.00 C ATOM 1284 CG GLU A 886 12.093 16.726 -3.544 1.00 0.00 C ATOM 1285 CD GLU A 886 12.882 16.786 -4.852 1.00 0.00 C ATOM 1286 OE1 GLU A 886 12.979 17.863 -5.414 1.00 0.00 O ATOM 1287 OE2 GLU A 886 13.375 15.751 -5.271 1.00 0.00 O ATOM 0 H GLU A 886 8.896 19.250 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 886 9.627 16.716 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 886 10.130 17.035 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 886 11.011 18.518 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 886 12.691 17.130 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 886 11.867 15.690 -3.291 1.00 0.00 H new ATOM 1294 N THR A 887 11.336 17.221 -0.316 1.00 0.00 N ATOM 1295 CA THR A 887 12.322 17.534 0.734 1.00 0.00 C ATOM 1296 C THR A 887 12.646 16.221 1.400 1.00 0.00 C ATOM 1297 O THR A 887 13.785 15.827 1.550 1.00 0.00 O ATOM 1298 CB THR A 887 11.591 18.478 1.693 1.00 0.00 C ATOM 1299 OG1 THR A 887 11.382 19.730 1.052 1.00 0.00 O ATOM 1300 CG2 THR A 887 12.425 18.686 2.959 1.00 0.00 C ATOM 0 H THR A 887 10.871 16.319 -0.216 1.00 0.00 H new ATOM 0 HA THR A 887 13.244 17.996 0.382 1.00 0.00 H new ATOM 0 HB THR A 887 10.631 18.040 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 887 11.864 19.745 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 887 11.898 19.359 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 887 12.584 17.727 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 887 13.388 19.121 2.693 1.00 0.00 H new ATOM 1308 N ASP A 888 11.614 15.533 1.767 1.00 0.00 N ATOM 1309 CA ASP A 888 11.772 14.220 2.396 1.00 0.00 C ATOM 1310 C ASP A 888 11.795 13.120 1.330 1.00 0.00 C ATOM 1311 O ASP A 888 11.068 13.200 0.359 1.00 0.00 O ATOM 1312 CB ASP A 888 10.544 14.092 3.266 1.00 0.00 C ATOM 1313 CG ASP A 888 10.859 13.213 4.478 1.00 0.00 C ATOM 1314 OD1 ASP A 888 10.710 12.008 4.367 1.00 0.00 O ATOM 1315 OD2 ASP A 888 11.247 13.762 5.498 1.00 0.00 O ATOM 0 H ASP A 888 10.648 15.839 1.652 1.00 0.00 H new ATOM 0 HA ASP A 888 12.700 14.124 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 888 10.216 15.078 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 888 9.724 13.658 2.693 1.00 0.00 H new ATOM 1320 N PRO A 889 12.608 12.115 1.534 1.00 0.00 N ATOM 1321 CA PRO A 889 12.680 11.000 0.564 1.00 0.00 C ATOM 1322 C PRO A 889 11.398 10.148 0.603 1.00 0.00 C ATOM 1323 O PRO A 889 11.228 9.258 -0.207 1.00 0.00 O ATOM 1324 CB PRO A 889 13.877 10.190 1.076 1.00 0.00 C ATOM 1325 CG PRO A 889 14.430 10.872 2.342 1.00 0.00 C ATOM 1326 CD PRO A 889 13.505 12.038 2.712 1.00 0.00 C ATOM 0 HA PRO A 889 12.782 11.334 -0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 889 13.573 9.167 1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 889 14.650 10.132 0.310 1.00 0.00 H new ATOM 0 HG2 PRO A 889 14.485 10.158 3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 889 15.443 11.234 2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 889 12.953 11.843 3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 889 14.059 12.965 2.863 1.00 0.00 H new ATOM 1333 N LEU A 890 10.497 10.393 1.537 1.00 0.00 N ATOM 1334 CA LEU A 890 9.259 9.571 1.609 1.00 0.00 C ATOM 1335 C LEU A 890 8.297 10.058 2.715 1.00 0.00 C ATOM 1336 O LEU A 890 7.345 9.375 3.032 1.00 0.00 O ATOM 1337 CB LEU A 890 9.734 8.119 1.870 1.00 0.00 C ATOM 1338 CG LEU A 890 10.421 7.951 3.246 1.00 0.00 C ATOM 1339 CD1 LEU A 890 11.533 8.979 3.451 1.00 0.00 C ATOM 1340 CD2 LEU A 890 9.392 8.099 4.358 1.00 0.00 C ATOM 0 H LEU A 890 10.575 11.125 2.244 1.00 0.00 H new ATOM 0 HA LEU A 890 8.688 9.647 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 890 8.879 7.446 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 890 10.428 7.822 1.084 1.00 0.00 H new ATOM 0 HG LEU A 890 10.865 6.956 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 890 11.992 8.829 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 890 12.288 8.859 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 890 11.114 9.984 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 890 9.881 7.980 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 890 8.935 9.087 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 890 8.622 7.336 4.245 1.00 0.00 H new ATOM 1352 N LEU A 891 8.497 11.235 3.286 1.00 0.00 N ATOM 1353 CA LEU A 891 7.544 11.737 4.333 1.00 0.00 C ATOM 1354 C LEU A 891 6.161 11.578 3.791 1.00 0.00 C ATOM 1355 O LEU A 891 5.256 11.128 4.436 1.00 0.00 O ATOM 1356 CB LEU A 891 7.881 13.227 4.517 1.00 0.00 C ATOM 1357 CG LEU A 891 6.630 14.088 4.837 1.00 0.00 C ATOM 1358 CD1 LEU A 891 5.749 14.307 3.584 1.00 0.00 C ATOM 1359 CD2 LEU A 891 5.803 13.422 5.945 1.00 0.00 C ATOM 0 H LEU A 891 9.273 11.861 3.071 1.00 0.00 H new ATOM 0 HA LEU A 891 7.617 11.205 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 891 8.607 13.334 5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 891 8.354 13.603 3.610 1.00 0.00 H new ATOM 0 HG LEU A 891 6.978 15.064 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 891 4.884 14.914 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 891 6.329 14.818 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 891 5.413 13.343 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 891 4.927 14.033 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 891 5.483 12.434 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 891 6.411 13.325 6.845 1.00 0.00 H new ATOM 1371 N ILE A 892 6.044 11.958 2.583 1.00 0.00 N ATOM 1372 CA ILE A 892 4.761 11.872 1.865 1.00 0.00 C ATOM 1373 C ILE A 892 4.360 10.430 1.773 1.00 0.00 C ATOM 1374 O ILE A 892 3.204 10.075 1.869 1.00 0.00 O ATOM 1375 CB ILE A 892 5.113 12.391 0.497 1.00 0.00 C ATOM 1376 CG1 ILE A 892 4.735 13.853 0.425 1.00 0.00 C ATOM 1377 CG2 ILE A 892 4.387 11.598 -0.575 1.00 0.00 C ATOM 1378 CD1 ILE A 892 5.903 14.606 -0.168 1.00 0.00 C ATOM 0 H ILE A 892 6.810 12.342 2.031 1.00 0.00 H new ATOM 0 HA ILE A 892 3.943 12.417 2.336 1.00 0.00 H new ATOM 0 HB ILE A 892 6.183 12.280 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 892 3.844 13.987 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 892 4.499 14.235 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 892 4.653 11.987 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 892 4.675 10.549 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 892 3.311 11.688 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 892 5.658 15.666 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 892 6.780 14.474 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 892 6.115 14.222 -1.166 1.00 0.00 H new ATOM 1390 N ALA A 893 5.323 9.600 1.587 1.00 0.00 N ATOM 1391 CA ALA A 893 4.994 8.155 1.490 1.00 0.00 C ATOM 1392 C ALA A 893 4.535 7.686 2.875 1.00 0.00 C ATOM 1393 O ALA A 893 3.764 6.750 3.026 1.00 0.00 O ATOM 1394 CB ALA A 893 6.292 7.471 1.097 1.00 0.00 C ATOM 0 H ALA A 893 6.310 9.842 1.498 1.00 0.00 H new ATOM 0 HA ALA A 893 4.206 7.935 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 893 6.125 6.398 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 893 6.637 7.866 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 893 7.047 7.657 1.861 1.00 0.00 H new ATOM 1400 N MET A 894 4.930 8.419 3.875 1.00 0.00 N ATOM 1401 CA MET A 894 4.476 8.125 5.267 1.00 0.00 C ATOM 1402 C MET A 894 3.178 8.866 5.474 1.00 0.00 C ATOM 1403 O MET A 894 2.203 8.321 5.907 1.00 0.00 O ATOM 1404 CB MET A 894 5.518 8.702 6.231 1.00 0.00 C ATOM 1405 CG MET A 894 6.929 8.369 5.773 1.00 0.00 C ATOM 1406 SD MET A 894 8.047 8.409 7.198 1.00 0.00 S ATOM 1407 CE MET A 894 8.473 10.169 7.111 1.00 0.00 C ATOM 0 H MET A 894 5.556 9.220 3.790 1.00 0.00 H new ATOM 0 HA MET A 894 4.352 7.055 5.434 1.00 0.00 H new ATOM 0 HB2 MET A 894 5.399 9.784 6.296 1.00 0.00 H new ATOM 0 HB3 MET A 894 5.353 8.303 7.232 1.00 0.00 H new ATOM 0 HG2 MET A 894 6.949 7.383 5.308 1.00 0.00 H new ATOM 0 HG3 MET A 894 7.257 9.084 5.019 1.00 0.00 H new ATOM 0 HE1 MET A 894 9.020 10.456 8.009 1.00 0.00 H new ATOM 0 HE2 MET A 894 9.095 10.350 6.234 1.00 0.00 H new ATOM 0 HE3 MET A 894 7.561 10.761 7.037 1.00 0.00 H new ATOM 1417 N LYS A 895 3.175 10.118 5.136 1.00 0.00 N ATOM 1418 CA LYS A 895 1.944 10.933 5.270 1.00 0.00 C ATOM 1419 C LYS A 895 0.834 10.230 4.503 1.00 0.00 C ATOM 1420 O LYS A 895 -0.240 10.003 5.015 1.00 0.00 O ATOM 1421 CB LYS A 895 2.298 12.281 4.639 1.00 0.00 C ATOM 1422 CG LYS A 895 1.026 13.075 4.352 1.00 0.00 C ATOM 1423 CD LYS A 895 0.365 13.481 5.671 1.00 0.00 C ATOM 1424 CE LYS A 895 0.784 14.907 6.036 1.00 0.00 C ATOM 1425 NZ LYS A 895 -0.453 15.547 6.562 1.00 0.00 N ATOM 0 H LYS A 895 3.984 10.619 4.768 1.00 0.00 H new ATOM 0 HA LYS A 895 1.605 11.066 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 895 2.946 12.846 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 895 2.855 12.124 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 895 1.264 13.962 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 895 0.337 12.475 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 895 -0.720 13.422 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 895 0.656 12.791 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 895 1.577 14.907 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 895 1.166 15.441 5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 895 -0.247 16.529 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 895 -1.188 15.539 5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 895 -0.790 15.021 7.393 1.00 0.00 H new ATOM 1439 N GLU A 896 1.103 9.860 3.279 1.00 0.00 N ATOM 1440 CA GLU A 896 0.067 9.137 2.487 1.00 0.00 C ATOM 1441 C GLU A 896 -0.426 7.924 3.277 1.00 0.00 C ATOM 1442 O GLU A 896 -1.615 7.745 3.455 1.00 0.00 O ATOM 1443 CB GLU A 896 0.755 8.694 1.197 1.00 0.00 C ATOM 1444 CG GLU A 896 -0.303 8.307 0.160 1.00 0.00 C ATOM 1445 CD GLU A 896 0.061 6.960 -0.465 1.00 0.00 C ATOM 1446 OE1 GLU A 896 0.439 6.068 0.276 1.00 0.00 O ATOM 1447 OE2 GLU A 896 -0.046 6.841 -1.675 1.00 0.00 O ATOM 0 H GLU A 896 1.987 10.025 2.797 1.00 0.00 H new ATOM 0 HA GLU A 896 -0.797 9.766 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 896 1.380 9.499 0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 896 1.412 7.847 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 896 -1.284 8.248 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 896 -0.367 9.073 -0.613 1.00 0.00 H new ATOM 1454 N LEU A 897 0.464 7.093 3.782 1.00 0.00 N ATOM 1455 CA LEU A 897 -0.031 5.929 4.577 1.00 0.00 C ATOM 1456 C LEU A 897 -0.588 6.441 5.896 1.00 0.00 C ATOM 1457 O LEU A 897 -1.686 6.118 6.297 1.00 0.00 O ATOM 1458 CB LEU A 897 1.178 5.022 4.808 1.00 0.00 C ATOM 1459 CG LEU A 897 0.804 3.831 5.714 1.00 0.00 C ATOM 1460 CD1 LEU A 897 1.240 4.132 7.149 1.00 0.00 C ATOM 1461 CD2 LEU A 897 -0.715 3.580 5.695 1.00 0.00 C ATOM 0 H LEU A 897 1.476 7.169 3.681 1.00 0.00 H new ATOM 0 HA LEU A 897 -0.823 5.381 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 897 1.551 4.654 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 897 1.985 5.594 5.266 1.00 0.00 H new ATOM 0 HG LEU A 897 1.311 2.941 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 897 0.977 3.293 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 897 2.319 4.287 7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 897 0.735 5.031 7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -0.952 2.735 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -1.235 4.468 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -1.034 3.358 4.677 1.00 0.00 H new ATOM 1473 N LYS A 898 0.151 7.279 6.538 1.00 0.00 N ATOM 1474 CA LYS A 898 -0.310 7.897 7.810 1.00 0.00 C ATOM 1475 C LYS A 898 -1.693 8.468 7.598 1.00 0.00 C ATOM 1476 O LYS A 898 -2.507 8.564 8.495 1.00 0.00 O ATOM 1477 CB LYS A 898 0.660 9.043 8.030 1.00 0.00 C ATOM 1478 CG LYS A 898 0.250 9.843 9.266 1.00 0.00 C ATOM 1479 CD LYS A 898 1.454 10.623 9.795 1.00 0.00 C ATOM 1480 CE LYS A 898 1.408 10.659 11.325 1.00 0.00 C ATOM 1481 NZ LYS A 898 0.371 11.677 11.654 1.00 0.00 N ATOM 0 H LYS A 898 1.079 7.574 6.234 1.00 0.00 H new ATOM 0 HA LYS A 898 -0.343 7.194 8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 898 1.671 8.656 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 898 0.674 9.692 7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 898 -0.559 10.529 9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 898 -0.128 9.172 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 898 2.380 10.155 9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 898 1.447 11.638 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 898 1.148 9.683 11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 898 2.377 10.933 11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 898 0.793 12.425 12.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 898 0.002 12.093 10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 898 -0.406 11.224 12.176 1.00 0.00 H new ATOM 1495 N ALA A 899 -1.946 8.832 6.387 1.00 0.00 N ATOM 1496 CA ALA A 899 -3.275 9.398 6.036 1.00 0.00 C ATOM 1497 C ALA A 899 -4.220 8.237 5.736 1.00 0.00 C ATOM 1498 O ALA A 899 -5.424 8.367 5.777 1.00 0.00 O ATOM 1499 CB ALA A 899 -3.017 10.268 4.802 1.00 0.00 C ATOM 0 H ALA A 899 -1.287 8.764 5.611 1.00 0.00 H new ATOM 0 HA ALA A 899 -3.733 9.990 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -3.952 10.725 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -2.299 11.049 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.617 9.650 3.998 1.00 0.00 H new ATOM 1505 N ARG A 900 -3.645 7.108 5.420 1.00 0.00 N ATOM 1506 CA ARG A 900 -4.408 5.884 5.091 1.00 0.00 C ATOM 1507 C ARG A 900 -5.299 6.185 3.932 1.00 0.00 C ATOM 1508 O ARG A 900 -6.344 5.591 3.741 1.00 0.00 O ATOM 1509 CB ARG A 900 -5.164 5.459 6.369 1.00 0.00 C ATOM 1510 CG ARG A 900 -6.487 6.224 6.537 1.00 0.00 C ATOM 1511 CD ARG A 900 -7.565 5.274 7.069 1.00 0.00 C ATOM 1512 NE ARG A 900 -8.645 5.296 6.042 1.00 0.00 N ATOM 1513 CZ ARG A 900 -9.536 4.344 6.013 1.00 0.00 C ATOM 1514 NH1 ARG A 900 -10.070 3.915 7.123 1.00 0.00 N ATOM 1515 NH2 ARG A 900 -9.893 3.820 4.872 1.00 0.00 N ATOM 0 H ARG A 900 -2.633 6.987 5.377 1.00 0.00 H new ATOM 0 HA ARG A 900 -3.776 5.049 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -5.366 4.389 6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -4.531 5.633 7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -6.352 7.059 7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -6.799 6.646 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -7.171 4.267 7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -7.937 5.604 8.039 1.00 0.00 H new ATOM 0 HE ARG A 900 -8.687 6.055 5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -9.791 4.324 8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -10.767 3.170 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -9.475 4.155 4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -10.590 3.075 4.848 1.00 0.00 H new ATOM 1529 N LYS A 901 -4.858 7.093 3.128 1.00 0.00 N ATOM 1530 CA LYS A 901 -5.635 7.429 1.950 1.00 0.00 C ATOM 1531 C LYS A 901 -5.120 6.583 0.802 1.00 0.00 C ATOM 1532 O LYS A 901 -5.876 6.082 -0.005 1.00 0.00 O ATOM 1533 CB LYS A 901 -5.391 8.915 1.689 1.00 0.00 C ATOM 1534 CG LYS A 901 -6.554 9.734 2.251 1.00 0.00 C ATOM 1535 CD LYS A 901 -6.063 10.555 3.441 1.00 0.00 C ATOM 1536 CE LYS A 901 -7.208 11.414 3.982 1.00 0.00 C ATOM 1537 NZ LYS A 901 -6.542 12.522 4.721 1.00 0.00 N ATOM 0 H LYS A 901 -3.988 7.613 3.246 1.00 0.00 H new ATOM 0 HA LYS A 901 -6.702 7.241 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 901 -4.456 9.227 2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 901 -5.291 9.095 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 901 -6.956 10.393 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 901 -7.364 9.073 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 901 -5.691 9.893 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 901 -5.231 11.190 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 901 -7.830 11.797 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 901 -7.859 10.836 4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 901 -7.263 13.155 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 901 -5.962 12.128 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 901 -5.935 13.058 4.069 1.00 0.00 H new ATOM 1551 N ILE A 902 -3.817 6.418 0.743 1.00 0.00 N ATOM 1552 CA ILE A 902 -3.198 5.588 -0.352 1.00 0.00 C ATOM 1553 C ILE A 902 -4.064 5.630 -1.632 1.00 0.00 C ATOM 1554 O ILE A 902 -4.497 4.597 -2.104 1.00 0.00 O ATOM 1555 CB ILE A 902 -3.121 4.164 0.207 1.00 0.00 C ATOM 1556 CG1 ILE A 902 -2.207 4.152 1.435 1.00 0.00 C ATOM 1557 CG2 ILE A 902 -2.549 3.216 -0.854 1.00 0.00 C ATOM 1558 CD1 ILE A 902 -3.001 4.575 2.669 1.00 0.00 C ATOM 0 H ILE A 902 -3.153 6.821 1.404 1.00 0.00 H new ATOM 0 HA ILE A 902 -2.214 5.964 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 902 -4.122 3.834 0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 902 -1.791 3.155 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 902 -1.366 4.828 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 902 -2.497 2.205 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 902 -3.194 3.222 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 902 -1.549 3.546 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 902 -2.349 4.566 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 902 -3.395 5.580 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 902 -3.827 3.881 2.826 1.00 0.00 H new ATOM 1570 N PRO A 903 -4.328 6.811 -2.142 1.00 0.00 N ATOM 1571 CA PRO A 903 -5.188 6.935 -3.347 1.00 0.00 C ATOM 1572 C PRO A 903 -4.498 6.370 -4.591 1.00 0.00 C ATOM 1573 O PRO A 903 -4.245 7.092 -5.537 1.00 0.00 O ATOM 1574 CB PRO A 903 -5.356 8.450 -3.484 1.00 0.00 C ATOM 1575 CG PRO A 903 -4.571 9.140 -2.353 1.00 0.00 C ATOM 1576 CD PRO A 903 -3.799 8.074 -1.567 1.00 0.00 C ATOM 0 HA PRO A 903 -6.126 6.387 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -4.991 8.784 -4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -6.411 8.719 -3.430 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -3.882 9.877 -2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -5.253 9.676 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -2.722 8.165 -1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -3.987 8.143 -0.496 1.00 0.00 H new ATOM 1583 N ILE A 904 -4.192 5.101 -4.624 1.00 0.00 N ATOM 1584 CA ILE A 904 -3.536 4.576 -5.840 1.00 0.00 C ATOM 1585 C ILE A 904 -3.686 3.060 -5.997 1.00 0.00 C ATOM 1586 O ILE A 904 -3.648 2.298 -5.053 1.00 0.00 O ATOM 1587 CB ILE A 904 -2.075 5.028 -5.741 1.00 0.00 C ATOM 1588 CG1 ILE A 904 -1.810 6.066 -6.830 1.00 0.00 C ATOM 1589 CG2 ILE A 904 -1.132 3.850 -5.951 1.00 0.00 C ATOM 1590 CD1 ILE A 904 -0.848 7.134 -6.305 1.00 0.00 C ATOM 0 H ILE A 904 -4.365 4.426 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 904 -4.009 4.966 -6.741 1.00 0.00 H new ATOM 0 HB ILE A 904 -1.901 5.449 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 904 -1.386 5.583 -7.710 1.00 0.00 H new ATOM 0 HG13 ILE A 904 -2.747 6.528 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 904 -0.100 4.192 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 904 -1.319 3.094 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 904 -1.301 3.420 -6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 904 -0.662 7.872 -7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 904 -1.289 7.626 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 904 0.093 6.666 -6.017 1.00 0.00 H new ATOM 1602 N ILE A 905 -3.831 2.652 -7.224 1.00 0.00 N ATOM 1603 CA ILE A 905 -3.966 1.215 -7.567 1.00 0.00 C ATOM 1604 C ILE A 905 -2.570 0.585 -7.677 1.00 0.00 C ATOM 1605 O ILE A 905 -1.621 1.232 -8.076 1.00 0.00 O ATOM 1606 CB ILE A 905 -4.652 1.202 -8.938 1.00 0.00 C ATOM 1607 CG1 ILE A 905 -4.854 -0.246 -9.391 1.00 0.00 C ATOM 1608 CG2 ILE A 905 -3.780 1.930 -9.968 1.00 0.00 C ATOM 1609 CD1 ILE A 905 -6.333 -0.488 -9.669 1.00 0.00 C ATOM 0 H ILE A 905 -3.862 3.278 -8.029 1.00 0.00 H new ATOM 0 HA ILE A 905 -4.528 0.656 -6.819 1.00 0.00 H new ATOM 0 HB ILE A 905 -5.615 1.706 -8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 905 -4.267 -0.443 -10.288 1.00 0.00 H new ATOM 0 HG13 ILE A 905 -4.500 -0.932 -8.621 1.00 0.00 H new ATOM 0 HG21 ILE A 905 -4.275 1.916 -10.939 1.00 0.00 H new ATOM 0 HG22 ILE A 905 -3.629 2.962 -9.653 1.00 0.00 H new ATOM 0 HG23 ILE A 905 -2.815 1.430 -10.046 1.00 0.00 H new ATOM 0 HD11 ILE A 905 -6.479 -1.519 -9.992 1.00 0.00 H new ATOM 0 HD12 ILE A 905 -6.908 -0.307 -8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 905 -6.671 0.189 -10.453 1.00 0.00 H new ATOM 1621 N ILE A 906 -2.440 -0.666 -7.343 1.00 0.00 N ATOM 1622 CA ILE A 906 -1.117 -1.343 -7.434 1.00 0.00 C ATOM 1623 C ILE A 906 -1.290 -2.694 -8.116 1.00 0.00 C ATOM 1624 O ILE A 906 -2.359 -3.268 -8.115 1.00 0.00 O ATOM 1625 CB ILE A 906 -0.656 -1.531 -5.979 1.00 0.00 C ATOM 1626 CG1 ILE A 906 0.167 -0.323 -5.550 1.00 0.00 C ATOM 1627 CG2 ILE A 906 0.215 -2.787 -5.854 1.00 0.00 C ATOM 1628 CD1 ILE A 906 -0.738 0.895 -5.409 1.00 0.00 C ATOM 0 H ILE A 906 -3.201 -1.256 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 906 -0.392 -0.770 -8.012 1.00 0.00 H new ATOM 0 HB ILE A 906 -1.536 -1.636 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 906 0.665 -0.529 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 906 0.948 -0.124 -6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 906 0.534 -2.907 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 906 -0.360 -3.661 -6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 906 1.091 -2.687 -6.494 1.00 0.00 H new ATOM 0 HD11 ILE A 906 -0.144 1.756 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 906 -1.216 1.106 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 906 -1.503 0.695 -4.658 1.00 0.00 H new ATOM 1640 N ARG A 907 -0.252 -3.212 -8.685 1.00 0.00 N ATOM 1641 CA ARG A 907 -0.379 -4.541 -9.346 1.00 0.00 C ATOM 1642 C ARG A 907 0.408 -5.572 -8.579 1.00 0.00 C ATOM 1643 O ARG A 907 1.617 -5.625 -8.651 1.00 0.00 O ATOM 1644 CB ARG A 907 0.187 -4.386 -10.743 1.00 0.00 C ATOM 1645 CG ARG A 907 -0.746 -3.503 -11.572 1.00 0.00 C ATOM 1646 CD ARG A 907 -0.751 -2.067 -11.031 1.00 0.00 C ATOM 1647 NE ARG A 907 -0.701 -1.203 -12.242 1.00 0.00 N ATOM 1648 CZ ARG A 907 -1.803 -0.890 -12.868 1.00 0.00 C ATOM 1649 NH1 ARG A 907 -2.747 -0.241 -12.242 1.00 0.00 N ATOM 1650 NH2 ARG A 907 -1.961 -1.226 -14.119 1.00 0.00 N ATOM 0 H ARG A 907 0.673 -2.785 -8.726 1.00 0.00 H new ATOM 0 HA ARG A 907 -1.418 -4.869 -9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 907 1.181 -3.942 -10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 907 0.295 -5.363 -11.214 1.00 0.00 H new ATOM 0 HG2 ARG A 907 -0.426 -3.504 -12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 907 -1.757 -3.910 -11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 907 -1.646 -1.870 -10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 907 0.105 -1.886 -10.381 1.00 0.00 H new ATOM 0 HE ARG A 907 0.195 -0.855 -12.583 1.00 0.00 H new ATOM 0 HH11 ARG A 907 -2.623 0.021 -11.264 1.00 0.00 H new ATOM 0 HH12 ARG A 907 -3.608 0.004 -12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 907 -1.223 -1.733 -14.608 1.00 0.00 H new ATOM 0 HH22 ARG A 907 -2.822 -0.981 -14.608 1.00 0.00 H new ATOM 1664 N ARG A 908 -0.271 -6.408 -7.864 1.00 0.00 N ATOM 1665 CA ARG A 908 0.460 -7.456 -7.106 1.00 0.00 C ATOM 1666 C ARG A 908 0.632 -8.687 -7.991 1.00 0.00 C ATOM 1667 O ARG A 908 -0.217 -9.557 -8.016 1.00 0.00 O ATOM 1668 CB ARG A 908 -0.352 -7.848 -5.839 1.00 0.00 C ATOM 1669 CG ARG A 908 -1.530 -6.902 -5.537 1.00 0.00 C ATOM 1670 CD ARG A 908 -2.184 -7.328 -4.198 1.00 0.00 C ATOM 1671 NE ARG A 908 -1.080 -7.267 -3.199 1.00 0.00 N ATOM 1672 CZ ARG A 908 -1.124 -8.019 -2.133 1.00 0.00 C ATOM 1673 NH1 ARG A 908 -2.259 -8.219 -1.520 1.00 0.00 N ATOM 1674 NH2 ARG A 908 -0.032 -8.573 -1.681 1.00 0.00 N ATOM 0 H ARG A 908 -1.286 -6.417 -7.768 1.00 0.00 H new ATOM 0 HA ARG A 908 1.436 -7.073 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 908 -0.735 -8.861 -5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 908 0.319 -7.864 -4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 908 -1.180 -5.872 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 908 -2.262 -6.942 -6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 908 -3.001 -6.659 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 908 -2.603 -8.332 -4.264 1.00 0.00 H new ATOM 0 HE ARG A 908 -0.291 -6.638 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 908 -3.113 -7.787 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 908 -2.292 -8.807 -0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 908 0.855 -8.418 -2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 908 -0.065 -9.161 -0.848 1.00 0.00 H new ATOM 1688 N TYR A 909 1.742 -8.809 -8.673 1.00 0.00 N ATOM 1689 CA TYR A 909 1.949 -10.021 -9.473 1.00 0.00 C ATOM 1690 C TYR A 909 2.627 -11.011 -8.548 1.00 0.00 C ATOM 1691 O TYR A 909 3.056 -10.652 -7.469 1.00 0.00 O ATOM 1692 CB TYR A 909 2.861 -9.703 -10.665 1.00 0.00 C ATOM 1693 CG TYR A 909 2.680 -8.290 -11.197 1.00 0.00 C ATOM 1694 CD1 TYR A 909 3.276 -7.191 -10.562 1.00 0.00 C ATOM 1695 CD2 TYR A 909 1.946 -8.092 -12.365 1.00 0.00 C ATOM 1696 CE1 TYR A 909 3.127 -5.911 -11.093 1.00 0.00 C ATOM 1697 CE2 TYR A 909 1.801 -6.816 -12.900 1.00 0.00 C ATOM 1698 CZ TYR A 909 2.387 -5.721 -12.268 1.00 0.00 C ATOM 1699 OH TYR A 909 2.238 -4.461 -12.805 1.00 0.00 O ATOM 0 H TYR A 909 2.497 -8.124 -8.702 1.00 0.00 H new ATOM 0 HA TYR A 909 1.013 -10.416 -9.867 1.00 0.00 H new ATOM 0 HB2 TYR A 909 3.900 -9.842 -10.366 1.00 0.00 H new ATOM 0 HB3 TYR A 909 2.662 -10.414 -11.466 1.00 0.00 H new ATOM 0 HD1 TYR A 909 3.852 -7.337 -9.660 1.00 0.00 H new ATOM 0 HD2 TYR A 909 1.486 -8.935 -12.859 1.00 0.00 H new ATOM 0 HE1 TYR A 909 3.582 -5.065 -10.599 1.00 0.00 H new ATOM 0 HE2 TYR A 909 1.233 -6.674 -13.807 1.00 0.00 H new ATOM 0 HH TYR A 909 1.696 -4.515 -13.620 1.00 0.00 H new ATOM 1709 N LEU A 910 2.712 -12.238 -8.921 1.00 0.00 N ATOM 1710 CA LEU A 910 3.332 -13.219 -8.017 1.00 0.00 C ATOM 1711 C LEU A 910 4.294 -14.141 -8.757 1.00 0.00 C ATOM 1712 O LEU A 910 3.880 -14.953 -9.561 1.00 0.00 O ATOM 1713 CB LEU A 910 2.134 -13.987 -7.459 1.00 0.00 C ATOM 1714 CG LEU A 910 1.168 -13.028 -6.751 1.00 0.00 C ATOM 1715 CD1 LEU A 910 0.050 -13.833 -6.099 1.00 0.00 C ATOM 1716 CD2 LEU A 910 1.894 -12.222 -5.674 1.00 0.00 C ATOM 0 H LEU A 910 2.380 -12.607 -9.812 1.00 0.00 H new ATOM 0 HA LEU A 910 3.939 -12.753 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 910 1.617 -14.504 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 910 2.476 -14.750 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 910 0.759 -12.339 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 910 -0.639 -13.156 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 910 -0.487 -14.395 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 910 0.476 -14.525 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 910 1.189 -11.549 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 910 2.318 -12.902 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 910 2.693 -11.640 -6.132 1.00 0.00 H new ATOM 1728 N PRO A 911 5.562 -14.022 -8.421 1.00 0.00 N ATOM 1729 CA PRO A 911 6.585 -14.897 -9.023 1.00 0.00 C ATOM 1730 C PRO A 911 6.279 -16.332 -8.600 1.00 0.00 C ATOM 1731 O PRO A 911 6.821 -17.284 -9.125 1.00 0.00 O ATOM 1732 CB PRO A 911 7.883 -14.404 -8.375 1.00 0.00 C ATOM 1733 CG PRO A 911 7.545 -13.259 -7.402 1.00 0.00 C ATOM 1734 CD PRO A 911 6.028 -13.020 -7.433 1.00 0.00 C ATOM 0 HA PRO A 911 6.631 -14.873 -10.112 1.00 0.00 H new ATOM 0 HB2 PRO A 911 8.373 -15.219 -7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 911 8.579 -14.058 -9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 911 7.867 -13.513 -6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 911 8.077 -12.351 -7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 911 5.573 -13.174 -6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 911 5.784 -12.003 -7.741 1.00 0.00 H new ATOM 1741 N ASP A 912 5.385 -16.480 -7.650 1.00 0.00 N ATOM 1742 CA ASP A 912 5.005 -17.833 -7.181 1.00 0.00 C ATOM 1743 C ASP A 912 4.168 -18.500 -8.258 1.00 0.00 C ATOM 1744 O ASP A 912 4.239 -19.696 -8.463 1.00 0.00 O ATOM 1745 CB ASP A 912 4.171 -17.601 -5.921 1.00 0.00 C ATOM 1746 CG ASP A 912 5.061 -17.742 -4.684 1.00 0.00 C ATOM 1747 OD1 ASP A 912 5.735 -16.780 -4.351 1.00 0.00 O ATOM 1748 OD2 ASP A 912 5.053 -18.808 -4.091 1.00 0.00 O ATOM 0 H ASP A 912 4.905 -15.711 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 912 5.864 -18.472 -6.975 1.00 0.00 H new ATOM 0 HB2 ASP A 912 3.722 -16.608 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 912 3.353 -18.320 -5.877 1.00 0.00 H new ATOM 1753 N GLY A 913 3.381 -17.729 -8.963 1.00 0.00 N ATOM 1754 CA GLY A 913 2.551 -18.339 -10.044 1.00 0.00 C ATOM 1755 C GLY A 913 1.157 -17.742 -10.032 1.00 0.00 C ATOM 1756 O GLY A 913 0.158 -18.432 -10.091 1.00 0.00 O ATOM 0 H GLY A 913 3.278 -16.722 -8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 913 3.020 -18.168 -11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 913 2.494 -19.418 -9.904 1.00 0.00 H new ATOM 1760 N SER A 914 1.105 -16.461 -9.972 1.00 0.00 N ATOM 1761 CA SER A 914 -0.194 -15.738 -9.968 1.00 0.00 C ATOM 1762 C SER A 914 0.080 -14.256 -10.118 1.00 0.00 C ATOM 1763 O SER A 914 1.207 -13.847 -10.322 1.00 0.00 O ATOM 1764 CB SER A 914 -0.831 -16.027 -8.612 1.00 0.00 C ATOM 1765 OG SER A 914 -1.425 -17.318 -8.632 1.00 0.00 O ATOM 0 H SER A 914 1.926 -15.857 -9.924 1.00 0.00 H new ATOM 0 HA SER A 914 -0.851 -16.050 -10.780 1.00 0.00 H new ATOM 0 HB2 SER A 914 -0.078 -15.974 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 914 -1.584 -15.272 -8.384 1.00 0.00 H new ATOM 0 HG SER A 914 -1.143 -17.795 -9.440 1.00 0.00 H new ATOM 1771 N TYR A 915 -0.928 -13.447 -10.009 1.00 0.00 N ATOM 1772 CA TYR A 915 -0.724 -11.984 -10.138 1.00 0.00 C ATOM 1773 C TYR A 915 -2.093 -11.287 -10.260 1.00 0.00 C ATOM 1774 O TYR A 915 -2.991 -11.793 -10.900 1.00 0.00 O ATOM 1775 CB TYR A 915 0.086 -11.806 -11.442 1.00 0.00 C ATOM 1776 CG TYR A 915 -0.408 -10.618 -12.254 1.00 0.00 C ATOM 1777 CD1 TYR A 915 -0.542 -9.349 -11.667 1.00 0.00 C ATOM 1778 CD2 TYR A 915 -0.715 -10.790 -13.610 1.00 0.00 C ATOM 1779 CE1 TYR A 915 -0.977 -8.264 -12.438 1.00 0.00 C ATOM 1780 CE2 TYR A 915 -1.152 -9.706 -14.376 1.00 0.00 C ATOM 1781 CZ TYR A 915 -1.281 -8.443 -13.791 1.00 0.00 C ATOM 1782 OH TYR A 915 -1.708 -7.369 -14.548 1.00 0.00 O ATOM 0 H TYR A 915 -1.890 -13.737 -9.835 1.00 0.00 H new ATOM 0 HA TYR A 915 -0.209 -11.553 -9.279 1.00 0.00 H new ATOM 0 HB2 TYR A 915 1.140 -11.668 -11.200 1.00 0.00 H new ATOM 0 HB3 TYR A 915 0.013 -12.713 -12.042 1.00 0.00 H new ATOM 0 HD1 TYR A 915 -0.310 -9.210 -10.621 1.00 0.00 H new ATOM 0 HD2 TYR A 915 -0.614 -11.764 -14.065 1.00 0.00 H new ATOM 0 HE1 TYR A 915 -1.078 -7.288 -11.987 1.00 0.00 H new ATOM 0 HE2 TYR A 915 -1.390 -9.844 -15.420 1.00 0.00 H new ATOM 0 HH TYR A 915 -1.181 -7.320 -15.373 1.00 0.00 H new ATOM 1792 N GLU A 916 -2.247 -10.122 -9.695 1.00 0.00 N ATOM 1793 CA GLU A 916 -3.548 -9.391 -9.825 1.00 0.00 C ATOM 1794 C GLU A 916 -3.337 -7.877 -9.694 1.00 0.00 C ATOM 1795 O GLU A 916 -2.516 -7.417 -8.926 1.00 0.00 O ATOM 1796 CB GLU A 916 -4.420 -9.907 -8.689 1.00 0.00 C ATOM 1797 CG GLU A 916 -5.836 -10.173 -9.203 1.00 0.00 C ATOM 1798 CD GLU A 916 -6.731 -8.976 -8.885 1.00 0.00 C ATOM 1799 OE1 GLU A 916 -6.301 -7.862 -9.126 1.00 0.00 O ATOM 1800 OE2 GLU A 916 -7.833 -9.195 -8.409 1.00 0.00 O ATOM 0 H GLU A 916 -1.532 -9.641 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 916 -4.007 -9.560 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 916 -3.994 -10.823 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 916 -4.448 -9.178 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 916 -5.816 -10.349 -10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 916 -6.238 -11.074 -8.740 1.00 0.00 H new ATOM 1807 N ASP A 917 -4.088 -7.105 -10.439 1.00 0.00 N ATOM 1808 CA ASP A 917 -3.951 -5.622 -10.360 1.00 0.00 C ATOM 1809 C ASP A 917 -5.155 -5.004 -9.670 1.00 0.00 C ATOM 1810 O ASP A 917 -6.253 -5.518 -9.701 1.00 0.00 O ATOM 1811 CB ASP A 917 -3.837 -5.134 -11.792 1.00 0.00 C ATOM 1812 CG ASP A 917 -5.098 -5.488 -12.586 1.00 0.00 C ATOM 1813 OD1 ASP A 917 -5.962 -6.145 -12.032 1.00 0.00 O ATOM 1814 OD2 ASP A 917 -5.176 -5.095 -13.738 1.00 0.00 O ATOM 0 H ASP A 917 -4.790 -7.440 -11.099 1.00 0.00 H new ATOM 0 HA ASP A 917 -3.078 -5.335 -9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 917 -3.685 -4.055 -11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 917 -2.964 -5.583 -12.266 1.00 0.00 H new ATOM 1819 N TRP A 918 -4.897 -3.894 -9.049 1.00 0.00 N ATOM 1820 CA TRP A 918 -5.890 -3.099 -8.262 1.00 0.00 C ATOM 1821 C TRP A 918 -5.212 -2.625 -6.987 1.00 0.00 C ATOM 1822 O TRP A 918 -4.081 -2.973 -6.725 1.00 0.00 O ATOM 1823 CB TRP A 918 -7.121 -3.940 -7.916 1.00 0.00 C ATOM 1824 CG TRP A 918 -6.817 -5.290 -7.336 1.00 0.00 C ATOM 1825 CD1 TRP A 918 -5.620 -5.917 -7.210 1.00 0.00 C ATOM 1826 CD2 TRP A 918 -7.792 -6.174 -6.773 1.00 0.00 C ATOM 1827 NE1 TRP A 918 -5.843 -7.187 -6.699 1.00 0.00 N ATOM 1828 CE2 TRP A 918 -7.176 -7.370 -6.374 1.00 0.00 C ATOM 1829 CE3 TRP A 918 -9.158 -6.023 -6.593 1.00 0.00 C ATOM 1830 CZ2 TRP A 918 -7.921 -8.406 -5.806 1.00 0.00 C ATOM 1831 CZ3 TRP A 918 -9.911 -7.026 -6.010 1.00 0.00 C ATOM 1832 CH2 TRP A 918 -9.301 -8.229 -5.613 1.00 0.00 C ATOM 0 H TRP A 918 -3.968 -3.472 -9.054 1.00 0.00 H new ATOM 0 HA TRP A 918 -6.227 -2.250 -8.857 1.00 0.00 H new ATOM 0 HB2 TRP A 918 -7.735 -3.385 -7.207 1.00 0.00 H new ATOM 0 HB3 TRP A 918 -7.718 -4.074 -8.818 1.00 0.00 H new ATOM 0 HD1 TRP A 918 -4.658 -5.498 -7.464 1.00 0.00 H new ATOM 0 HE1 TRP A 918 -5.118 -7.895 -6.578 1.00 0.00 H new ATOM 0 HE3 TRP A 918 -9.640 -5.111 -6.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 -7.442 -9.331 -5.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 -10.971 -6.885 -5.859 1.00 0.00 H new ATOM 0 HH2 TRP A 918 -9.891 -9.013 -5.162 1.00 0.00 H new ATOM 1843 N GLY A 919 -5.861 -1.831 -6.186 1.00 0.00 N ATOM 1844 CA GLY A 919 -5.171 -1.367 -4.959 1.00 0.00 C ATOM 1845 C GLY A 919 -6.146 -0.760 -3.982 1.00 0.00 C ATOM 1846 O GLY A 919 -6.612 -1.400 -3.064 1.00 0.00 O ATOM 0 H GLY A 919 -6.813 -1.492 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 919 -4.656 -2.205 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 919 -4.410 -0.632 -5.222 1.00 0.00 H new ATOM 1850 N VAL A 920 -6.450 0.476 -4.160 1.00 0.00 N ATOM 1851 CA VAL A 920 -7.396 1.120 -3.229 1.00 0.00 C ATOM 1852 C VAL A 920 -8.672 1.429 -3.976 1.00 0.00 C ATOM 1853 O VAL A 920 -9.650 1.871 -3.404 1.00 0.00 O ATOM 1854 CB VAL A 920 -6.696 2.389 -2.764 1.00 0.00 C ATOM 1855 CG1 VAL A 920 -7.617 3.179 -1.831 1.00 0.00 C ATOM 1856 CG2 VAL A 920 -5.426 1.992 -2.016 1.00 0.00 C ATOM 0 H VAL A 920 -6.089 1.071 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 920 -7.662 0.495 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 920 -6.448 3.013 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 920 -7.110 4.086 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 920 -8.531 3.446 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 920 -7.867 2.568 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 920 -4.910 2.889 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 920 -5.688 1.374 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 920 -4.773 1.429 -2.682 1.00 0.00 H new ATOM 1866 N ASP A 921 -8.682 1.185 -5.258 1.00 0.00 N ATOM 1867 CA ASP A 921 -9.923 1.459 -6.017 1.00 0.00 C ATOM 1868 C ASP A 921 -10.848 0.259 -5.936 1.00 0.00 C ATOM 1869 O ASP A 921 -12.039 0.356 -6.156 1.00 0.00 O ATOM 1870 CB ASP A 921 -9.481 1.716 -7.457 1.00 0.00 C ATOM 1871 CG ASP A 921 -10.716 1.936 -8.333 1.00 0.00 C ATOM 1872 OD1 ASP A 921 -11.560 2.728 -7.946 1.00 0.00 O ATOM 1873 OD2 ASP A 921 -10.797 1.309 -9.377 1.00 0.00 O ATOM 0 H ASP A 921 -7.900 0.816 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 921 -10.471 2.313 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 921 -8.830 2.590 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 921 -8.903 0.870 -7.829 1.00 0.00 H new ATOM 1878 N GLU A 922 -10.300 -0.872 -5.637 1.00 0.00 N ATOM 1879 CA GLU A 922 -11.117 -2.094 -5.552 1.00 0.00 C ATOM 1880 C GLU A 922 -10.904 -2.788 -4.202 1.00 0.00 C ATOM 1881 O GLU A 922 -11.619 -3.702 -3.843 1.00 0.00 O ATOM 1882 CB GLU A 922 -10.572 -2.924 -6.697 1.00 0.00 C ATOM 1883 CG GLU A 922 -11.623 -3.942 -7.146 1.00 0.00 C ATOM 1884 CD GLU A 922 -11.396 -4.297 -8.617 1.00 0.00 C ATOM 1885 OE1 GLU A 922 -11.817 -3.526 -9.464 1.00 0.00 O ATOM 1886 OE2 GLU A 922 -10.807 -5.334 -8.871 1.00 0.00 O ATOM 0 H GLU A 922 -9.307 -1.002 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 922 -12.191 -1.920 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 922 -10.300 -2.276 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 922 -9.664 -3.439 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 922 -11.561 -4.840 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 922 -12.623 -3.531 -7.010 1.00 0.00 H new ATOM 1893 N LEU A 923 -9.910 -2.369 -3.462 1.00 0.00 N ATOM 1894 CA LEU A 923 -9.634 -3.019 -2.139 1.00 0.00 C ATOM 1895 C LEU A 923 -8.969 -2.063 -1.130 1.00 0.00 C ATOM 1896 O LEU A 923 -9.168 -0.865 -1.137 1.00 0.00 O ATOM 1897 CB LEU A 923 -8.730 -4.221 -2.446 1.00 0.00 C ATOM 1898 CG LEU A 923 -7.666 -3.845 -3.471 1.00 0.00 C ATOM 1899 CD1 LEU A 923 -6.264 -3.985 -2.897 1.00 0.00 C ATOM 1900 CD2 LEU A 923 -7.787 -4.785 -4.621 1.00 0.00 C ATOM 0 H LEU A 923 -9.278 -1.608 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 923 -10.567 -3.321 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 923 -8.253 -4.568 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 923 -9.331 -5.048 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 923 -7.818 -2.808 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 923 -5.531 -3.709 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 923 -6.157 -3.329 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 923 -6.098 -5.018 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 923 -7.036 -4.539 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 923 -7.632 -5.807 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 923 -8.781 -4.697 -5.059 1.00 0.00 H new ATOM 1912 N ILE A 924 -8.231 -2.643 -0.231 1.00 0.00 N ATOM 1913 CA ILE A 924 -7.549 -1.907 0.882 1.00 0.00 C ATOM 1914 C ILE A 924 -6.352 -1.081 0.444 1.00 0.00 C ATOM 1915 O ILE A 924 -5.872 -1.159 -0.659 1.00 0.00 O ATOM 1916 CB ILE A 924 -7.126 -3.002 1.882 1.00 0.00 C ATOM 1917 CG1 ILE A 924 -8.210 -3.093 2.936 1.00 0.00 C ATOM 1918 CG2 ILE A 924 -5.767 -2.725 2.547 1.00 0.00 C ATOM 1919 CD1 ILE A 924 -9.331 -3.942 2.360 1.00 0.00 C ATOM 0 H ILE A 924 -8.061 -3.649 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 924 -8.229 -1.171 1.310 1.00 0.00 H new ATOM 0 HB ILE A 924 -7.006 -3.940 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 924 -7.820 -3.540 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 924 -8.576 -2.100 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 924 -5.529 -3.533 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 924 -4.993 -2.663 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 924 -5.814 -1.783 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 924 -10.133 -4.031 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 924 -9.716 -3.471 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 924 -8.949 -4.934 2.118 1.00 0.00 H new ATOM 1931 N ILE A 925 -5.887 -0.302 1.367 1.00 0.00 N ATOM 1932 CA ILE A 925 -4.687 0.549 1.165 1.00 0.00 C ATOM 1933 C ILE A 925 -3.491 -0.203 1.760 1.00 0.00 C ATOM 1934 O ILE A 925 -3.229 -1.338 1.418 1.00 0.00 O ATOM 1935 CB ILE A 925 -4.998 1.850 1.928 1.00 0.00 C ATOM 1936 CG1 ILE A 925 -5.360 1.532 3.385 1.00 0.00 C ATOM 1937 CG2 ILE A 925 -6.178 2.563 1.261 1.00 0.00 C ATOM 1938 CD1 ILE A 925 -4.984 2.717 4.277 1.00 0.00 C ATOM 0 H ILE A 925 -6.306 -0.215 2.293 1.00 0.00 H new ATOM 0 HA ILE A 925 -4.452 0.772 0.124 1.00 0.00 H new ATOM 0 HB ILE A 925 -4.117 2.492 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 925 -6.427 1.325 3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 925 -4.835 0.635 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 925 -6.399 3.484 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 925 -5.923 2.800 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 925 -7.053 1.913 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 925 -5.242 2.490 5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 925 -3.913 2.903 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 925 -5.530 3.603 3.953 1.00 0.00 H new ATOM 1950 N THR A 926 -2.787 0.398 2.651 1.00 0.00 N ATOM 1951 CA THR A 926 -1.626 -0.287 3.286 1.00 0.00 C ATOM 1952 C THR A 926 -2.117 -1.462 4.132 1.00 0.00 C ATOM 1953 O THR A 926 -1.531 -2.527 4.141 1.00 0.00 O ATOM 1954 CB THR A 926 -1.002 0.774 4.188 1.00 0.00 C ATOM 1955 OG1 THR A 926 -0.739 1.941 3.425 1.00 0.00 O ATOM 1956 CG2 THR A 926 0.296 0.243 4.798 1.00 0.00 C ATOM 0 H THR A 926 -2.959 1.348 2.980 1.00 0.00 H new ATOM 0 HA THR A 926 -0.921 -0.681 2.554 1.00 0.00 H new ATOM 0 HB THR A 926 -1.693 1.017 4.995 1.00 0.00 H new ATOM 0 HG1 THR A 926 -1.563 2.463 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 926 0.735 1.006 5.440 1.00 0.00 H new ATOM 0 HG22 THR A 926 0.083 -0.649 5.388 1.00 0.00 H new ATOM 0 HG23 THR A 926 0.997 -0.008 4.001 1.00 0.00 H new ATOM 1964 N ASP A 927 -3.195 -1.271 4.835 1.00 0.00 N ATOM 1965 CA ASP A 927 -3.752 -2.366 5.686 1.00 0.00 C ATOM 1966 C ASP A 927 -5.050 -1.902 6.353 1.00 0.00 C ATOM 1967 O ASP A 927 -5.327 -2.360 7.449 1.00 0.00 O ATOM 1968 CB ASP A 927 -2.677 -2.648 6.742 1.00 0.00 C ATOM 1969 CG ASP A 927 -2.221 -4.104 6.634 1.00 0.00 C ATOM 1970 OD1 ASP A 927 -2.062 -4.574 5.520 1.00 0.00 O ATOM 1971 OD2 ASP A 927 -2.038 -4.725 7.668 1.00 0.00 O ATOM 1972 OXT ASP A 927 -5.746 -1.098 5.754 1.00 0.00 O ATOM 0 H ASP A 927 -3.721 -0.398 4.860 1.00 0.00 H new ATOM 0 HA ASP A 927 -3.989 -3.257 5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -1.828 -1.979 6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -3.072 -2.453 7.739 1.00 0.00 H new TER 1977 ASP A 927