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 880 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 901 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 849 GLN :FLIP amide:sc= -5.2! C(o=-6.4!,f=-4!) USER MOD Set 2.2: A 915 TYR OH : rot -72:sc= 1.24 USER MOD Single : A 801 MET CE :methyl -133:sc= 0 (180deg=-0.0475) USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 ASN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 807 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 827 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 833 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 835 ASN : amide:sc= -4.39! C(o=-4.4!,f=-7.2!) USER MOD Single : A 841 SER OG : rot 180:sc= 0 USER MOD Single : A 846 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 848 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 850 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 853 THR OG1 : rot 126:sc= -4.99! USER MOD Single : A 854 THR OG1 : rot 180:sc= -0.996 USER MOD Single : A 856 TYR OH : rot 143:sc= -2.09 USER MOD Single : A 857 MET CE :methyl 178:sc= -12.9! (180deg=-13.1!) USER MOD Single : A 858 THR OG1 : rot 36:sc= 0.0106 USER MOD Single : A 859 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 860 TYR OH : rot 180:sc= 0 USER MOD Single : A 868 THR OG1 : rot -37:sc= -3.3! USER MOD Single : A 872 GLN : amide:sc= -0.0157 K(o=-0.016,f=-2!) USER MOD Single : A 875 MET CE :methyl 153:sc= 0 (180deg=-0.0093) USER MOD Single : A 876 CYS SG : rot 180:sc= 0 USER MOD Single : A 887 THR OG1 : rot -10:sc= 0.438 USER MOD Single : A 894 MET CE :methyl 169:sc= -3.55! (180deg=-4.07!) USER MOD Single : A 895 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 898 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 909 TYR OH : rot 15:sc= -3.09! USER MOD Single : A 914 SER OG : rot 11:sc= 1.07 USER MOD Single : A 926 THR OG1 : rot 38:sc= -11.6! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 801 -6.779 12.055 40.838 1.00 0.00 N ATOM 2 CA MET A 801 -6.671 10.780 40.072 1.00 0.00 C ATOM 3 C MET A 801 -7.810 9.834 40.456 1.00 0.00 C ATOM 4 O MET A 801 -8.473 10.021 41.458 1.00 0.00 O ATOM 5 CB MET A 801 -5.320 10.187 40.475 1.00 0.00 C ATOM 6 CG MET A 801 -4.191 11.039 39.889 1.00 0.00 C ATOM 7 SD MET A 801 -3.623 12.231 41.129 1.00 0.00 S ATOM 8 CE MET A 801 -2.557 11.102 42.057 1.00 0.00 C ATOM 0 HA MET A 801 -6.740 10.938 38.996 1.00 0.00 H new ATOM 0 HB2 MET A 801 -5.236 10.151 41.561 1.00 0.00 H new ATOM 0 HB3 MET A 801 -5.240 9.161 40.115 1.00 0.00 H new ATOM 0 HG2 MET A 801 -3.364 10.401 39.578 1.00 0.00 H new ATOM 0 HG3 MET A 801 -4.541 11.563 39.000 1.00 0.00 H new ATOM 0 HE1 MET A 801 -2.753 11.211 43.124 1.00 0.00 H new ATOM 0 HE2 MET A 801 -2.763 10.075 41.754 1.00 0.00 H new ATOM 0 HE3 MET A 801 -1.512 11.338 41.854 1.00 0.00 H new ATOM 20 N SER A 802 -8.042 8.818 39.667 1.00 0.00 N ATOM 21 CA SER A 802 -9.140 7.858 39.985 1.00 0.00 C ATOM 22 C SER A 802 -8.984 6.581 39.158 1.00 0.00 C ATOM 23 O SER A 802 -9.690 6.365 38.190 1.00 0.00 O ATOM 24 CB SER A 802 -10.427 8.590 39.605 1.00 0.00 C ATOM 25 OG SER A 802 -11.544 7.774 39.930 1.00 0.00 O ATOM 0 H SER A 802 -7.519 8.611 38.816 1.00 0.00 H new ATOM 0 HA SER A 802 -9.135 7.558 41.033 1.00 0.00 H new ATOM 0 HB2 SER A 802 -10.489 9.540 40.136 1.00 0.00 H new ATOM 0 HB3 SER A 802 -10.427 8.820 38.539 1.00 0.00 H new ATOM 0 HG SER A 802 -12.371 8.241 39.689 1.00 0.00 H new ATOM 31 N ASP A 803 -8.066 5.730 39.531 1.00 0.00 N ATOM 32 CA ASP A 803 -7.864 4.464 38.769 1.00 0.00 C ATOM 33 C ASP A 803 -8.580 3.299 39.481 1.00 0.00 C ATOM 34 O ASP A 803 -8.102 2.803 40.482 1.00 0.00 O ATOM 35 CB ASP A 803 -6.351 4.240 38.788 1.00 0.00 C ATOM 36 CG ASP A 803 -5.729 4.835 37.524 1.00 0.00 C ATOM 37 OD1 ASP A 803 -6.183 5.888 37.104 1.00 0.00 O ATOM 38 OD2 ASP A 803 -4.811 4.230 36.997 1.00 0.00 O ATOM 0 H ASP A 803 -7.447 5.857 40.331 1.00 0.00 H new ATOM 0 HA ASP A 803 -8.264 4.519 37.757 1.00 0.00 H new ATOM 0 HB2 ASP A 803 -5.916 4.704 39.673 1.00 0.00 H new ATOM 0 HB3 ASP A 803 -6.132 3.174 38.846 1.00 0.00 H new ATOM 43 N ASN A 804 -9.716 2.854 38.988 1.00 0.00 N ATOM 44 CA ASN A 804 -10.424 1.727 39.665 1.00 0.00 C ATOM 45 C ASN A 804 -9.837 0.386 39.217 1.00 0.00 C ATOM 46 O ASN A 804 -9.047 0.321 38.295 1.00 0.00 O ATOM 47 CB ASN A 804 -11.881 1.850 39.218 1.00 0.00 C ATOM 48 CG ASN A 804 -12.670 2.643 40.263 1.00 0.00 C ATOM 49 OD1 ASN A 804 -13.719 2.214 40.702 1.00 0.00 O ATOM 50 ND2 ASN A 804 -12.207 3.788 40.682 1.00 0.00 N ATOM 0 H ASN A 804 -10.176 3.221 38.155 1.00 0.00 H new ATOM 0 HA ASN A 804 -10.324 1.770 40.750 1.00 0.00 H new ATOM 0 HB2 ASN A 804 -11.935 2.349 38.250 1.00 0.00 H new ATOM 0 HB3 ASN A 804 -12.318 0.860 39.091 1.00 0.00 H new ATOM 0 HD21 ASN A 804 -12.725 4.324 41.378 1.00 0.00 H new ATOM 0 HD22 ASN A 804 -11.327 4.148 40.313 1.00 0.00 H new ATOM 57 N GLU A 805 -10.216 -0.683 39.864 1.00 0.00 N ATOM 58 CA GLU A 805 -9.683 -2.023 39.478 1.00 0.00 C ATOM 59 C GLU A 805 -10.451 -2.569 38.272 1.00 0.00 C ATOM 60 O GLU A 805 -11.439 -3.261 38.416 1.00 0.00 O ATOM 61 CB GLU A 805 -9.909 -2.908 40.705 1.00 0.00 C ATOM 62 CG GLU A 805 -9.305 -4.291 40.455 1.00 0.00 C ATOM 63 CD GLU A 805 -8.761 -4.855 41.769 1.00 0.00 C ATOM 64 OE1 GLU A 805 -9.410 -4.667 42.785 1.00 0.00 O ATOM 65 OE2 GLU A 805 -7.705 -5.465 41.737 1.00 0.00 O ATOM 0 H GLU A 805 -10.873 -0.687 40.644 1.00 0.00 H new ATOM 0 HA GLU A 805 -8.632 -1.984 39.193 1.00 0.00 H new ATOM 0 HB2 GLU A 805 -9.452 -2.453 41.584 1.00 0.00 H new ATOM 0 HB3 GLU A 805 -10.976 -2.997 40.911 1.00 0.00 H new ATOM 0 HG2 GLU A 805 -10.061 -4.961 40.045 1.00 0.00 H new ATOM 0 HG3 GLU A 805 -8.505 -4.222 39.718 1.00 0.00 H new ATOM 72 N ASP A 806 -10.003 -2.263 37.083 1.00 0.00 N ATOM 73 CA ASP A 806 -10.705 -2.764 35.866 1.00 0.00 C ATOM 74 C ASP A 806 -9.738 -3.558 34.985 1.00 0.00 C ATOM 75 O ASP A 806 -8.951 -2.995 34.247 1.00 0.00 O ATOM 76 CB ASP A 806 -11.183 -1.506 35.140 1.00 0.00 C ATOM 77 CG ASP A 806 -12.436 -1.831 34.325 1.00 0.00 C ATOM 78 OD1 ASP A 806 -13.242 -2.613 34.801 1.00 0.00 O ATOM 79 OD2 ASP A 806 -12.569 -1.292 33.238 1.00 0.00 O ATOM 0 H ASP A 806 -9.181 -1.687 36.902 1.00 0.00 H new ATOM 0 HA ASP A 806 -11.530 -3.432 36.111 1.00 0.00 H new ATOM 0 HB2 ASP A 806 -11.400 -0.718 35.861 1.00 0.00 H new ATOM 0 HB3 ASP A 806 -10.397 -1.131 34.484 1.00 0.00 H new ATOM 84 N ASN A 807 -9.791 -4.861 35.055 1.00 0.00 N ATOM 85 CA ASN A 807 -8.875 -5.695 34.220 1.00 0.00 C ATOM 86 C ASN A 807 -9.692 -6.523 33.217 1.00 0.00 C ATOM 87 O ASN A 807 -10.704 -6.072 32.717 1.00 0.00 O ATOM 88 CB ASN A 807 -8.145 -6.598 35.219 1.00 0.00 C ATOM 89 CG ASN A 807 -7.391 -5.735 36.234 1.00 0.00 C ATOM 90 OD1 ASN A 807 -6.765 -4.758 35.870 1.00 0.00 O ATOM 91 ND2 ASN A 807 -7.423 -6.056 37.498 1.00 0.00 N ATOM 0 H ASN A 807 -10.429 -5.385 35.654 1.00 0.00 H new ATOM 0 HA ASN A 807 -8.175 -5.098 33.636 1.00 0.00 H new ATOM 0 HB2 ASN A 807 -8.859 -7.241 35.733 1.00 0.00 H new ATOM 0 HB3 ASN A 807 -7.449 -7.251 34.693 1.00 0.00 H new ATOM 0 HD21 ASN A 807 -6.923 -5.487 38.181 1.00 0.00 H new ATOM 0 HD22 ASN A 807 -7.948 -6.876 37.803 1.00 0.00 H new ATOM 98 N PHE A 808 -9.270 -7.727 32.914 1.00 0.00 N ATOM 99 CA PHE A 808 -10.035 -8.562 31.943 1.00 0.00 C ATOM 100 C PHE A 808 -9.858 -10.049 32.267 1.00 0.00 C ATOM 101 O PHE A 808 -10.792 -10.724 32.654 1.00 0.00 O ATOM 102 CB PHE A 808 -9.432 -8.231 30.577 1.00 0.00 C ATOM 103 CG PHE A 808 -10.142 -9.023 29.503 1.00 0.00 C ATOM 104 CD1 PHE A 808 -11.534 -8.939 29.376 1.00 0.00 C ATOM 105 CD2 PHE A 808 -9.407 -9.841 28.636 1.00 0.00 C ATOM 106 CE1 PHE A 808 -12.190 -9.674 28.380 1.00 0.00 C ATOM 107 CE2 PHE A 808 -10.064 -10.575 27.641 1.00 0.00 C ATOM 108 CZ PHE A 808 -11.456 -10.491 27.514 1.00 0.00 C ATOM 0 H PHE A 808 -8.432 -8.164 33.297 1.00 0.00 H new ATOM 0 HA PHE A 808 -11.105 -8.359 31.975 1.00 0.00 H new ATOM 0 HB2 PHE A 808 -9.524 -7.164 30.377 1.00 0.00 H new ATOM 0 HB3 PHE A 808 -8.368 -8.465 30.572 1.00 0.00 H new ATOM 0 HD1 PHE A 808 -12.101 -8.309 30.045 1.00 0.00 H new ATOM 0 HD2 PHE A 808 -8.333 -9.906 28.735 1.00 0.00 H new ATOM 0 HE1 PHE A 808 -13.264 -9.610 28.281 1.00 0.00 H new ATOM 0 HE2 PHE A 808 -9.497 -11.206 26.972 1.00 0.00 H new ATOM 0 HZ PHE A 808 -11.963 -11.057 26.747 1.00 0.00 H new ATOM 118 N ASP A 809 -8.668 -10.565 32.108 1.00 0.00 N ATOM 119 CA ASP A 809 -8.433 -12.009 32.404 1.00 0.00 C ATOM 120 C ASP A 809 -7.108 -12.192 33.148 1.00 0.00 C ATOM 121 O ASP A 809 -6.456 -13.211 33.031 1.00 0.00 O ATOM 122 CB ASP A 809 -8.378 -12.689 31.034 1.00 0.00 C ATOM 123 CG ASP A 809 -9.157 -14.005 31.084 1.00 0.00 C ATOM 124 OD1 ASP A 809 -10.372 -13.948 31.178 1.00 0.00 O ATOM 125 OD2 ASP A 809 -8.525 -15.048 31.029 1.00 0.00 O ATOM 0 H ASP A 809 -7.849 -10.049 31.786 1.00 0.00 H new ATOM 0 HA ASP A 809 -9.212 -12.431 33.039 1.00 0.00 H new ATOM 0 HB2 ASP A 809 -8.801 -12.033 30.274 1.00 0.00 H new ATOM 0 HB3 ASP A 809 -7.342 -12.878 30.752 1.00 0.00 H new ATOM 130 N GLY A 810 -6.706 -11.212 33.913 1.00 0.00 N ATOM 131 CA GLY A 810 -5.424 -11.329 34.667 1.00 0.00 C ATOM 132 C GLY A 810 -4.254 -10.963 33.751 1.00 0.00 C ATOM 133 O GLY A 810 -3.552 -9.998 33.981 1.00 0.00 O ATOM 0 H GLY A 810 -7.210 -10.336 34.048 1.00 0.00 H new ATOM 0 HA2 GLY A 810 -5.439 -10.670 35.535 1.00 0.00 H new ATOM 0 HA3 GLY A 810 -5.302 -12.346 35.041 1.00 0.00 H new ATOM 137 N ASP A 811 -4.037 -11.730 32.715 1.00 0.00 N ATOM 138 CA ASP A 811 -2.909 -11.429 31.785 1.00 0.00 C ATOM 139 C ASP A 811 -3.429 -10.702 30.537 1.00 0.00 C ATOM 140 O ASP A 811 -3.281 -11.172 29.427 1.00 0.00 O ATOM 141 CB ASP A 811 -2.331 -12.798 31.412 1.00 0.00 C ATOM 142 CG ASP A 811 -0.928 -12.942 32.006 1.00 0.00 C ATOM 143 OD1 ASP A 811 -0.183 -11.976 31.958 1.00 0.00 O ATOM 144 OD2 ASP A 811 -0.622 -14.015 32.500 1.00 0.00 O ATOM 0 H ASP A 811 -4.592 -12.551 32.473 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.160 -10.780 32.238 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -2.978 -13.591 31.786 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -2.291 -12.904 30.328 1.00 0.00 H new ATOM 149 N ASP A 812 -4.039 -9.557 30.713 1.00 0.00 N ATOM 150 CA ASP A 812 -4.568 -8.804 29.537 1.00 0.00 C ATOM 151 C ASP A 812 -3.667 -7.602 29.215 1.00 0.00 C ATOM 152 O ASP A 812 -4.147 -6.529 28.905 1.00 0.00 O ATOM 153 CB ASP A 812 -5.960 -8.332 29.966 1.00 0.00 C ATOM 154 CG ASP A 812 -5.847 -7.439 31.205 1.00 0.00 C ATOM 155 OD1 ASP A 812 -5.637 -7.976 32.281 1.00 0.00 O ATOM 156 OD2 ASP A 812 -5.970 -6.234 31.057 1.00 0.00 O ATOM 0 H ASP A 812 -4.193 -9.113 31.618 1.00 0.00 H new ATOM 0 HA ASP A 812 -4.601 -9.419 28.637 1.00 0.00 H new ATOM 0 HB2 ASP A 812 -6.434 -7.783 29.153 1.00 0.00 H new ATOM 0 HB3 ASP A 812 -6.595 -9.191 30.183 1.00 0.00 H new ATOM 161 N PHE A 813 -2.367 -7.766 29.287 1.00 0.00 N ATOM 162 CA PHE A 813 -1.455 -6.625 28.985 1.00 0.00 C ATOM 163 C PHE A 813 -0.971 -6.706 27.534 1.00 0.00 C ATOM 164 O PHE A 813 0.202 -6.553 27.253 1.00 0.00 O ATOM 165 CB PHE A 813 -0.282 -6.789 29.952 1.00 0.00 C ATOM 166 CG PHE A 813 0.349 -5.442 30.209 1.00 0.00 C ATOM 167 CD1 PHE A 813 -0.171 -4.603 31.203 1.00 0.00 C ATOM 168 CD2 PHE A 813 1.455 -5.031 29.455 1.00 0.00 C ATOM 169 CE1 PHE A 813 0.415 -3.355 31.441 1.00 0.00 C ATOM 170 CE2 PHE A 813 2.040 -3.782 29.694 1.00 0.00 C ATOM 171 CZ PHE A 813 1.521 -2.944 30.687 1.00 0.00 C ATOM 0 H PHE A 813 -1.903 -8.638 29.541 1.00 0.00 H new ATOM 0 HA PHE A 813 -1.947 -5.660 29.102 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -0.627 -7.226 30.889 1.00 0.00 H new ATOM 0 HB3 PHE A 813 0.455 -7.474 29.534 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -1.024 -4.919 31.785 1.00 0.00 H new ATOM 0 HD2 PHE A 813 1.857 -5.678 28.689 1.00 0.00 H new ATOM 0 HE1 PHE A 813 0.014 -2.708 32.207 1.00 0.00 H new ATOM 0 HE2 PHE A 813 2.892 -3.465 29.112 1.00 0.00 H new ATOM 0 HZ PHE A 813 1.973 -1.981 30.872 1.00 0.00 H new ATOM 181 N ASP A 814 -1.866 -6.944 26.613 1.00 0.00 N ATOM 182 CA ASP A 814 -1.460 -7.034 25.180 1.00 0.00 C ATOM 183 C ASP A 814 -2.547 -6.431 24.286 1.00 0.00 C ATOM 184 O ASP A 814 -2.846 -6.944 23.225 1.00 0.00 O ATOM 185 CB ASP A 814 -1.308 -8.531 24.905 1.00 0.00 C ATOM 186 CG ASP A 814 0.168 -8.922 25.002 1.00 0.00 C ATOM 187 OD1 ASP A 814 0.980 -8.246 24.390 1.00 0.00 O ATOM 188 OD2 ASP A 814 0.461 -9.888 25.685 1.00 0.00 O ATOM 0 H ASP A 814 -2.861 -7.080 26.791 1.00 0.00 H new ATOM 0 HA ASP A 814 -0.540 -6.487 24.975 1.00 0.00 H new ATOM 0 HB2 ASP A 814 -1.895 -9.104 25.623 1.00 0.00 H new ATOM 0 HB3 ASP A 814 -1.694 -8.770 23.914 1.00 0.00 H new ATOM 193 N ASP A 815 -3.139 -5.346 24.707 1.00 0.00 N ATOM 194 CA ASP A 815 -4.208 -4.708 23.883 1.00 0.00 C ATOM 195 C ASP A 815 -3.621 -4.179 22.573 1.00 0.00 C ATOM 196 O ASP A 815 -4.303 -4.078 21.572 1.00 0.00 O ATOM 197 CB ASP A 815 -4.735 -3.555 24.738 1.00 0.00 C ATOM 198 CG ASP A 815 -6.080 -3.081 24.185 1.00 0.00 C ATOM 199 OD1 ASP A 815 -6.139 -2.775 23.006 1.00 0.00 O ATOM 200 OD2 ASP A 815 -7.029 -3.032 24.950 1.00 0.00 O ATOM 0 H ASP A 815 -2.929 -4.873 25.586 1.00 0.00 H new ATOM 0 HA ASP A 815 -4.997 -5.411 23.617 1.00 0.00 H new ATOM 0 HB2 ASP A 815 -4.849 -3.878 25.773 1.00 0.00 H new ATOM 0 HB3 ASP A 815 -4.020 -2.732 24.738 1.00 0.00 H new ATOM 205 N VAL A 816 -2.360 -3.841 22.572 1.00 0.00 N ATOM 206 CA VAL A 816 -1.723 -3.318 21.332 1.00 0.00 C ATOM 207 C VAL A 816 -0.420 -4.082 21.058 1.00 0.00 C ATOM 208 O VAL A 816 -0.326 -5.268 21.306 1.00 0.00 O ATOM 209 CB VAL A 816 -1.456 -1.836 21.624 1.00 0.00 C ATOM 210 CG1 VAL A 816 -2.781 -1.126 21.908 1.00 0.00 C ATOM 211 CG2 VAL A 816 -0.541 -1.705 22.846 1.00 0.00 C ATOM 0 H VAL A 816 -1.742 -3.905 23.381 1.00 0.00 H new ATOM 0 HA VAL A 816 -2.347 -3.441 20.447 1.00 0.00 H new ATOM 0 HB VAL A 816 -0.973 -1.382 20.759 1.00 0.00 H new ATOM 0 HG11 VAL A 816 -2.592 -0.073 22.116 1.00 0.00 H new ATOM 0 HG12 VAL A 816 -3.434 -1.213 21.040 1.00 0.00 H new ATOM 0 HG13 VAL A 816 -3.262 -1.585 22.771 1.00 0.00 H new ATOM 0 HG21 VAL A 816 -0.354 -0.651 23.049 1.00 0.00 H new ATOM 0 HG22 VAL A 816 -1.022 -2.162 23.711 1.00 0.00 H new ATOM 0 HG23 VAL A 816 0.405 -2.209 22.648 1.00 0.00 H new ATOM 221 N GLU A 817 0.579 -3.416 20.552 1.00 0.00 N ATOM 222 CA GLU A 817 1.871 -4.105 20.265 1.00 0.00 C ATOM 223 C GLU A 817 3.048 -3.254 20.754 1.00 0.00 C ATOM 224 O GLU A 817 4.162 -3.396 20.289 1.00 0.00 O ATOM 225 CB GLU A 817 1.912 -4.253 18.743 1.00 0.00 C ATOM 226 CG GLU A 817 2.545 -5.597 18.378 1.00 0.00 C ATOM 227 CD GLU A 817 3.294 -5.465 17.050 1.00 0.00 C ATOM 228 OE1 GLU A 817 4.427 -5.012 17.075 1.00 0.00 O ATOM 229 OE2 GLU A 817 2.722 -5.817 16.032 1.00 0.00 O ATOM 0 H GLU A 817 0.558 -2.422 20.324 1.00 0.00 H new ATOM 0 HA GLU A 817 1.945 -5.068 20.771 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.904 -4.191 18.334 1.00 0.00 H new ATOM 0 HB3 GLU A 817 2.486 -3.437 18.303 1.00 0.00 H new ATOM 0 HG2 GLU A 817 3.230 -5.914 19.164 1.00 0.00 H new ATOM 0 HG3 GLU A 817 1.775 -6.364 18.299 1.00 0.00 H new ATOM 236 N GLU A 818 2.809 -2.371 21.690 1.00 0.00 N ATOM 237 CA GLU A 818 3.910 -1.505 22.215 1.00 0.00 C ATOM 238 C GLU A 818 4.613 -0.776 21.064 1.00 0.00 C ATOM 239 O GLU A 818 4.276 -0.950 19.909 1.00 0.00 O ATOM 240 CB GLU A 818 4.878 -2.467 22.914 1.00 0.00 C ATOM 241 CG GLU A 818 5.176 -1.958 24.326 1.00 0.00 C ATOM 242 CD GLU A 818 6.551 -2.461 24.770 1.00 0.00 C ATOM 243 OE1 GLU A 818 6.899 -3.572 24.406 1.00 0.00 O ATOM 244 OE2 GLU A 818 7.233 -1.726 25.467 1.00 0.00 O ATOM 0 H GLU A 818 1.896 -2.211 22.115 1.00 0.00 H new ATOM 0 HA GLU A 818 3.538 -0.737 22.894 1.00 0.00 H new ATOM 0 HB2 GLU A 818 4.444 -3.466 22.960 1.00 0.00 H new ATOM 0 HB3 GLU A 818 5.803 -2.548 22.343 1.00 0.00 H new ATOM 0 HG2 GLU A 818 5.152 -0.868 24.344 1.00 0.00 H new ATOM 0 HG3 GLU A 818 4.409 -2.305 25.019 1.00 0.00 H new ATOM 251 N ASP A 819 5.585 0.040 21.374 1.00 0.00 N ATOM 252 CA ASP A 819 6.311 0.782 20.302 1.00 0.00 C ATOM 253 C ASP A 819 7.773 0.994 20.705 1.00 0.00 C ATOM 254 O ASP A 819 8.065 1.517 21.763 1.00 0.00 O ATOM 255 CB ASP A 819 5.583 2.123 20.181 1.00 0.00 C ATOM 256 CG ASP A 819 5.609 2.850 21.529 1.00 0.00 C ATOM 257 OD1 ASP A 819 4.762 2.551 22.356 1.00 0.00 O ATOM 258 OD2 ASP A 819 6.473 3.691 21.710 1.00 0.00 O ATOM 0 H ASP A 819 5.908 0.225 22.324 1.00 0.00 H new ATOM 0 HA ASP A 819 6.319 0.240 19.356 1.00 0.00 H new ATOM 0 HB2 ASP A 819 6.058 2.738 19.417 1.00 0.00 H new ATOM 0 HB3 ASP A 819 4.553 1.961 19.865 1.00 0.00 H new ATOM 263 N GLU A 820 8.694 0.594 19.869 1.00 0.00 N ATOM 264 CA GLU A 820 10.137 0.772 20.202 1.00 0.00 C ATOM 265 C GLU A 820 10.955 0.978 18.925 1.00 0.00 C ATOM 266 O GLU A 820 11.759 1.886 18.832 1.00 0.00 O ATOM 267 CB GLU A 820 10.545 -0.528 20.896 1.00 0.00 C ATOM 268 CG GLU A 820 11.750 -0.266 21.802 1.00 0.00 C ATOM 269 CD GLU A 820 12.321 -1.600 22.290 1.00 0.00 C ATOM 270 OE1 GLU A 820 11.617 -2.299 23.000 1.00 0.00 O ATOM 271 OE2 GLU A 820 13.452 -1.898 21.945 1.00 0.00 O ATOM 0 H GLU A 820 8.509 0.151 18.969 1.00 0.00 H new ATOM 0 HA GLU A 820 10.310 1.644 20.833 1.00 0.00 H new ATOM 0 HB2 GLU A 820 9.713 -0.916 21.483 1.00 0.00 H new ATOM 0 HB3 GLU A 820 10.793 -1.287 20.154 1.00 0.00 H new ATOM 0 HG2 GLU A 820 12.513 0.291 21.258 1.00 0.00 H new ATOM 0 HG3 GLU A 820 11.453 0.347 22.652 1.00 0.00 H new ATOM 278 N GLY A 821 10.755 0.143 17.941 1.00 0.00 N ATOM 279 CA GLY A 821 11.521 0.290 16.669 1.00 0.00 C ATOM 280 C GLY A 821 11.266 -0.923 15.774 1.00 0.00 C ATOM 281 O GLY A 821 11.767 -2.004 16.020 1.00 0.00 O ATOM 0 H GLY A 821 10.095 -0.634 17.963 1.00 0.00 H new ATOM 0 HA2 GLY A 821 11.221 1.203 16.155 1.00 0.00 H new ATOM 0 HA3 GLY A 821 12.586 0.380 16.882 1.00 0.00 H new ATOM 285 N LEU A 822 10.491 -0.753 14.737 1.00 0.00 N ATOM 286 CA LEU A 822 10.202 -1.895 13.822 1.00 0.00 C ATOM 287 C LEU A 822 10.155 -1.410 12.372 1.00 0.00 C ATOM 288 O LEU A 822 10.716 -2.019 11.482 1.00 0.00 O ATOM 289 CB LEU A 822 8.834 -2.418 14.257 1.00 0.00 C ATOM 290 CG LEU A 822 8.672 -3.868 13.800 1.00 0.00 C ATOM 291 CD1 LEU A 822 9.441 -4.792 14.746 1.00 0.00 C ATOM 292 CD2 LEU A 822 7.188 -4.245 13.815 1.00 0.00 C ATOM 0 H LEU A 822 10.045 0.129 14.484 1.00 0.00 H new ATOM 0 HA LEU A 822 10.968 -2.669 13.874 1.00 0.00 H new ATOM 0 HB2 LEU A 822 8.737 -2.354 15.341 1.00 0.00 H new ATOM 0 HB3 LEU A 822 8.044 -1.801 13.829 1.00 0.00 H new ATOM 0 HG LEU A 822 9.065 -3.975 12.789 1.00 0.00 H new ATOM 0 HD11 LEU A 822 9.325 -5.825 14.419 1.00 0.00 H new ATOM 0 HD12 LEU A 822 10.498 -4.525 14.736 1.00 0.00 H new ATOM 0 HD13 LEU A 822 9.049 -4.685 15.757 1.00 0.00 H new ATOM 0 HD21 LEU A 822 7.072 -5.279 13.489 1.00 0.00 H new ATOM 0 HD22 LEU A 822 6.795 -4.137 14.826 1.00 0.00 H new ATOM 0 HD23 LEU A 822 6.639 -3.588 13.140 1.00 0.00 H new ATOM 304 N ASP A 823 9.491 -0.314 12.133 1.00 0.00 N ATOM 305 CA ASP A 823 9.403 0.224 10.744 1.00 0.00 C ATOM 306 C ASP A 823 10.213 1.519 10.624 1.00 0.00 C ATOM 307 O ASP A 823 10.569 1.939 9.541 1.00 0.00 O ATOM 308 CB ASP A 823 7.915 0.496 10.518 1.00 0.00 C ATOM 309 CG ASP A 823 7.618 0.490 9.017 1.00 0.00 C ATOM 310 OD1 ASP A 823 8.136 -0.378 8.335 1.00 0.00 O ATOM 311 OD2 ASP A 823 6.876 1.354 8.576 1.00 0.00 O ATOM 0 H ASP A 823 9.003 0.235 12.841 1.00 0.00 H new ATOM 0 HA ASP A 823 9.806 -0.470 10.006 1.00 0.00 H new ATOM 0 HB2 ASP A 823 7.315 -0.262 11.021 1.00 0.00 H new ATOM 0 HB3 ASP A 823 7.640 1.458 10.950 1.00 0.00 H new ATOM 316 N ASP A 824 10.509 2.154 11.729 1.00 0.00 N ATOM 317 CA ASP A 824 11.298 3.420 11.676 1.00 0.00 C ATOM 318 C ASP A 824 12.665 3.218 12.336 1.00 0.00 C ATOM 319 O ASP A 824 13.278 4.154 12.813 1.00 0.00 O ATOM 320 CB ASP A 824 10.468 4.436 12.463 1.00 0.00 C ATOM 321 CG ASP A 824 9.519 5.166 11.511 1.00 0.00 C ATOM 322 OD1 ASP A 824 9.968 5.567 10.449 1.00 0.00 O ATOM 323 OD2 ASP A 824 8.358 5.311 11.859 1.00 0.00 O ATOM 0 H ASP A 824 10.238 1.850 12.664 1.00 0.00 H new ATOM 0 HA ASP A 824 11.484 3.749 10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 824 9.899 3.930 13.244 1.00 0.00 H new ATOM 0 HB3 ASP A 824 11.124 5.151 12.959 1.00 0.00 H new ATOM 328 N LEU A 825 13.146 2.004 12.367 1.00 0.00 N ATOM 329 CA LEU A 825 14.475 1.738 12.994 1.00 0.00 C ATOM 330 C LEU A 825 15.242 0.701 12.174 1.00 0.00 C ATOM 331 O LEU A 825 15.891 -0.173 12.716 1.00 0.00 O ATOM 332 CB LEU A 825 14.156 1.181 14.384 1.00 0.00 C ATOM 333 CG LEU A 825 14.815 2.050 15.462 1.00 0.00 C ATOM 334 CD1 LEU A 825 16.334 2.041 15.272 1.00 0.00 C ATOM 335 CD2 LEU A 825 14.297 3.486 15.352 1.00 0.00 C ATOM 0 H LEU A 825 12.676 1.183 11.985 1.00 0.00 H new ATOM 0 HA LEU A 825 15.094 2.634 13.044 1.00 0.00 H new ATOM 0 HB2 LEU A 825 13.077 1.155 14.536 1.00 0.00 H new ATOM 0 HB3 LEU A 825 14.514 0.154 14.464 1.00 0.00 H new ATOM 0 HG LEU A 825 14.570 1.650 16.446 1.00 0.00 H new ATOM 0 HD11 LEU A 825 16.800 2.659 16.039 1.00 0.00 H new ATOM 0 HD12 LEU A 825 16.705 1.019 15.354 1.00 0.00 H new ATOM 0 HD13 LEU A 825 16.580 2.438 14.287 1.00 0.00 H new ATOM 0 HD21 LEU A 825 14.767 4.102 16.119 1.00 0.00 H new ATOM 0 HD22 LEU A 825 14.539 3.886 14.367 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.216 3.495 15.491 1.00 0.00 H new ATOM 347 N GLU A 826 15.172 0.785 10.872 1.00 0.00 N ATOM 348 CA GLU A 826 15.895 -0.204 10.019 1.00 0.00 C ATOM 349 C GLU A 826 15.466 -1.630 10.397 1.00 0.00 C ATOM 350 O GLU A 826 14.318 -1.871 10.716 1.00 0.00 O ATOM 351 CB GLU A 826 17.381 0.024 10.317 1.00 0.00 C ATOM 352 CG GLU A 826 18.205 -0.252 9.058 1.00 0.00 C ATOM 353 CD GLU A 826 19.555 -0.855 9.452 1.00 0.00 C ATOM 354 OE1 GLU A 826 20.469 -0.091 9.714 1.00 0.00 O ATOM 355 OE2 GLU A 826 19.652 -2.072 9.487 1.00 0.00 O ATOM 0 H GLU A 826 14.646 1.495 10.362 1.00 0.00 H new ATOM 0 HA GLU A 826 15.679 -0.081 8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 826 17.542 1.049 10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 826 17.705 -0.630 11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 826 17.667 -0.936 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 826 18.357 0.672 8.500 1.00 0.00 H new ATOM 362 N ASN A 827 16.375 -2.572 10.369 1.00 0.00 N ATOM 363 CA ASN A 827 16.021 -3.980 10.731 1.00 0.00 C ATOM 364 C ASN A 827 14.742 -4.423 10.007 1.00 0.00 C ATOM 365 O ASN A 827 13.778 -4.829 10.626 1.00 0.00 O ATOM 366 CB ASN A 827 15.799 -3.957 12.244 1.00 0.00 C ATOM 367 CG ASN A 827 17.137 -3.734 12.953 1.00 0.00 C ATOM 368 OD1 ASN A 827 18.129 -4.346 12.610 1.00 0.00 O ATOM 369 ND2 ASN A 827 17.205 -2.878 13.934 1.00 0.00 N ATOM 0 H ASN A 827 17.351 -2.427 10.110 1.00 0.00 H new ATOM 0 HA ASN A 827 16.802 -4.683 10.441 1.00 0.00 H new ATOM 0 HB2 ASN A 827 15.099 -3.164 12.508 1.00 0.00 H new ATOM 0 HB3 ASN A 827 15.354 -4.897 12.571 1.00 0.00 H new ATOM 0 HD21 ASN A 827 18.091 -2.722 14.414 1.00 0.00 H new ATOM 0 HD22 ASN A 827 16.372 -2.365 14.221 1.00 0.00 H new ATOM 376 N ALA A 828 14.727 -4.346 8.703 1.00 0.00 N ATOM 377 CA ALA A 828 13.511 -4.760 7.944 1.00 0.00 C ATOM 378 C ALA A 828 13.827 -5.981 7.067 1.00 0.00 C ATOM 379 O ALA A 828 14.615 -6.828 7.437 1.00 0.00 O ATOM 380 CB ALA A 828 13.154 -3.545 7.084 1.00 0.00 C ATOM 0 H ALA A 828 15.504 -4.015 8.131 1.00 0.00 H new ATOM 0 HA ALA A 828 12.687 -5.049 8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 828 12.266 -3.767 6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 828 12.955 -2.689 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 828 13.986 -3.313 6.419 1.00 0.00 H new ATOM 386 N GLU A 829 13.219 -6.082 5.909 1.00 0.00 N ATOM 387 CA GLU A 829 13.493 -7.251 5.023 1.00 0.00 C ATOM 388 C GLU A 829 14.154 -6.786 3.722 1.00 0.00 C ATOM 389 O GLU A 829 14.906 -7.514 3.103 1.00 0.00 O ATOM 390 CB GLU A 829 12.120 -7.861 4.738 1.00 0.00 C ATOM 391 CG GLU A 829 11.719 -8.779 5.895 1.00 0.00 C ATOM 392 CD GLU A 829 10.491 -9.600 5.494 1.00 0.00 C ATOM 393 OE1 GLU A 829 9.461 -9.001 5.237 1.00 0.00 O ATOM 394 OE2 GLU A 829 10.604 -10.814 5.450 1.00 0.00 O ATOM 0 H GLU A 829 12.548 -5.407 5.543 1.00 0.00 H new ATOM 0 HA GLU A 829 14.171 -7.969 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 829 11.379 -7.072 4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 829 12.147 -8.424 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 829 12.545 -9.442 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 829 11.499 -8.187 6.784 1.00 0.00 H new ATOM 401 N GLU A 830 13.876 -5.579 3.301 1.00 0.00 N ATOM 402 CA GLU A 830 14.485 -5.058 2.037 1.00 0.00 C ATOM 403 C GLU A 830 14.071 -5.930 0.840 1.00 0.00 C ATOM 404 O GLU A 830 14.658 -5.848 -0.222 1.00 0.00 O ATOM 405 CB GLU A 830 16.001 -5.134 2.256 1.00 0.00 C ATOM 406 CG GLU A 830 16.634 -3.777 1.941 1.00 0.00 C ATOM 407 CD GLU A 830 16.614 -2.900 3.194 1.00 0.00 C ATOM 408 OE1 GLU A 830 17.200 -3.304 4.185 1.00 0.00 O ATOM 409 OE2 GLU A 830 16.013 -1.840 3.143 1.00 0.00 O ATOM 0 H GLU A 830 13.252 -4.929 3.779 1.00 0.00 H new ATOM 0 HA GLU A 830 14.156 -4.042 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 830 16.216 -5.416 3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 830 16.433 -5.905 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 830 17.659 -3.913 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 830 16.089 -3.288 1.134 1.00 0.00 H new ATOM 416 N GLU A 831 13.072 -6.764 0.998 1.00 0.00 N ATOM 417 CA GLU A 831 12.638 -7.630 -0.138 1.00 0.00 C ATOM 418 C GLU A 831 11.163 -8.008 0.021 1.00 0.00 C ATOM 419 O GLU A 831 10.537 -7.697 1.016 1.00 0.00 O ATOM 420 CB GLU A 831 13.524 -8.873 -0.049 1.00 0.00 C ATOM 421 CG GLU A 831 13.953 -9.298 -1.456 1.00 0.00 C ATOM 422 CD GLU A 831 14.083 -10.821 -1.513 1.00 0.00 C ATOM 423 OE1 GLU A 831 14.429 -11.407 -0.501 1.00 0.00 O ATOM 424 OE2 GLU A 831 13.833 -11.377 -2.571 1.00 0.00 O ATOM 0 H GLU A 831 12.542 -6.881 1.861 1.00 0.00 H new ATOM 0 HA GLU A 831 12.735 -7.129 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 831 14.402 -8.664 0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 831 12.983 -9.684 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 831 13.222 -8.957 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 831 14.904 -8.832 -1.714 1.00 0.00 H new ATOM 431 N GLY A 832 10.605 -8.679 -0.951 1.00 0.00 N ATOM 432 CA GLY A 832 9.173 -9.080 -0.857 1.00 0.00 C ATOM 433 C GLY A 832 8.935 -10.328 -1.709 1.00 0.00 C ATOM 434 O GLY A 832 9.809 -10.779 -2.424 1.00 0.00 O ATOM 0 H GLY A 832 11.080 -8.967 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 832 8.908 -9.280 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 832 8.533 -8.266 -1.199 1.00 0.00 H new ATOM 438 N GLN A 833 7.757 -10.889 -1.640 1.00 0.00 N ATOM 439 CA GLN A 833 7.462 -12.110 -2.447 1.00 0.00 C ATOM 440 C GLN A 833 6.226 -11.879 -3.307 1.00 0.00 C ATOM 441 O GLN A 833 5.378 -12.737 -3.456 1.00 0.00 O ATOM 442 CB GLN A 833 7.210 -13.216 -1.425 1.00 0.00 C ATOM 443 CG GLN A 833 6.026 -12.817 -0.542 1.00 0.00 C ATOM 444 CD GLN A 833 5.661 -13.980 0.383 1.00 0.00 C ATOM 445 OE1 GLN A 833 6.127 -14.049 1.502 1.00 0.00 O ATOM 446 NE2 GLN A 833 4.840 -14.901 -0.041 1.00 0.00 N ATOM 0 H GLN A 833 6.987 -10.555 -1.061 1.00 0.00 H new ATOM 0 HA GLN A 833 8.278 -12.367 -3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 833 7.001 -14.157 -1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 833 8.099 -13.374 -0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 833 6.280 -11.936 0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 833 5.170 -12.550 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 833 4.449 -14.842 -0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 833 4.589 -15.680 0.568 1.00 0.00 H new ATOM 455 N GLU A 834 6.131 -10.719 -3.869 1.00 0.00 N ATOM 456 CA GLU A 834 4.976 -10.380 -4.725 1.00 0.00 C ATOM 457 C GLU A 834 5.364 -9.186 -5.587 1.00 0.00 C ATOM 458 O GLU A 834 5.625 -8.113 -5.081 1.00 0.00 O ATOM 459 CB GLU A 834 3.851 -10.014 -3.754 1.00 0.00 C ATOM 460 CG GLU A 834 2.619 -9.544 -4.533 1.00 0.00 C ATOM 461 CD GLU A 834 2.080 -8.255 -3.908 1.00 0.00 C ATOM 462 OE1 GLU A 834 1.891 -8.239 -2.703 1.00 0.00 O ATOM 463 OE2 GLU A 834 1.865 -7.307 -4.644 1.00 0.00 O ATOM 0 H GLU A 834 6.821 -9.974 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 834 4.668 -11.190 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 834 3.595 -10.877 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 834 4.185 -9.228 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 834 2.880 -9.373 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 834 1.850 -10.317 -4.519 1.00 0.00 H new ATOM 470 N ASN A 835 5.407 -9.352 -6.875 1.00 0.00 N ATOM 471 CA ASN A 835 5.773 -8.198 -7.736 1.00 0.00 C ATOM 472 C ASN A 835 4.633 -7.223 -7.663 1.00 0.00 C ATOM 473 O ASN A 835 3.539 -7.529 -8.038 1.00 0.00 O ATOM 474 CB ASN A 835 5.914 -8.683 -9.188 1.00 0.00 C ATOM 475 CG ASN A 835 6.632 -10.032 -9.257 1.00 0.00 C ATOM 476 OD1 ASN A 835 6.053 -11.021 -9.661 1.00 0.00 O ATOM 477 ND2 ASN A 835 7.883 -10.109 -8.894 1.00 0.00 N ATOM 0 H ASN A 835 5.208 -10.224 -7.365 1.00 0.00 H new ATOM 0 HA ASN A 835 6.709 -7.744 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 835 4.927 -8.771 -9.642 1.00 0.00 H new ATOM 0 HB3 ASN A 835 6.467 -7.944 -9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 835 8.376 -11.000 -8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 835 8.368 -9.278 -8.555 1.00 0.00 H new ATOM 484 N VAL A 836 4.859 -6.069 -7.180 1.00 0.00 N ATOM 485 CA VAL A 836 3.729 -5.108 -7.106 1.00 0.00 C ATOM 486 C VAL A 836 4.072 -3.841 -7.861 1.00 0.00 C ATOM 487 O VAL A 836 5.119 -3.247 -7.685 1.00 0.00 O ATOM 488 CB VAL A 836 3.451 -4.842 -5.618 1.00 0.00 C ATOM 489 CG1 VAL A 836 4.268 -5.800 -4.769 1.00 0.00 C ATOM 490 CG2 VAL A 836 3.805 -3.399 -5.240 1.00 0.00 C ATOM 0 H VAL A 836 5.757 -5.733 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 836 2.831 -5.512 -7.573 1.00 0.00 H new ATOM 0 HB VAL A 836 2.387 -4.996 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 836 4.070 -5.611 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 836 3.992 -6.826 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 836 5.329 -5.652 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 836 3.598 -3.239 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 836 4.863 -3.221 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 836 3.206 -2.710 -5.835 1.00 0.00 H new ATOM 500 N GLU A 837 3.178 -3.424 -8.694 1.00 0.00 N ATOM 501 CA GLU A 837 3.417 -2.180 -9.465 1.00 0.00 C ATOM 502 C GLU A 837 2.635 -1.069 -8.800 1.00 0.00 C ATOM 503 O GLU A 837 1.936 -1.299 -7.832 1.00 0.00 O ATOM 504 CB GLU A 837 2.897 -2.451 -10.874 1.00 0.00 C ATOM 505 CG GLU A 837 3.964 -2.066 -11.904 1.00 0.00 C ATOM 506 CD GLU A 837 3.598 -0.727 -12.546 1.00 0.00 C ATOM 507 OE1 GLU A 837 3.334 0.209 -11.809 1.00 0.00 O ATOM 508 OE2 GLU A 837 3.587 -0.660 -13.764 1.00 0.00 O ATOM 0 H GLU A 837 2.289 -3.888 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 837 4.467 -1.889 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 837 2.640 -3.505 -10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 837 1.985 -1.881 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 837 4.940 -1.996 -11.423 1.00 0.00 H new ATOM 0 HG3 GLU A 837 4.041 -2.839 -12.669 1.00 0.00 H new ATOM 515 N ILE A 838 2.737 0.126 -9.283 1.00 0.00 N ATOM 516 CA ILE A 838 1.990 1.215 -8.634 1.00 0.00 C ATOM 517 C ILE A 838 1.389 2.136 -9.693 1.00 0.00 C ATOM 518 O ILE A 838 1.985 2.395 -10.720 1.00 0.00 O ATOM 519 CB ILE A 838 3.039 1.975 -7.810 1.00 0.00 C ATOM 520 CG1 ILE A 838 3.754 1.024 -6.831 1.00 0.00 C ATOM 521 CG2 ILE A 838 2.373 3.119 -7.042 1.00 0.00 C ATOM 522 CD1 ILE A 838 2.802 0.568 -5.720 1.00 0.00 C ATOM 0 H ILE A 838 3.300 0.392 -10.091 1.00 0.00 H new ATOM 0 HA ILE A 838 1.169 0.846 -8.019 1.00 0.00 H new ATOM 0 HB ILE A 838 3.782 2.389 -8.492 1.00 0.00 H new ATOM 0 HG12 ILE A 838 4.132 0.156 -7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 838 4.616 1.527 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 838 3.125 3.653 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 838 1.904 3.806 -7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 838 1.615 2.714 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 838 3.329 -0.102 -5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 838 2.445 1.437 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 838 1.953 0.045 -6.160 1.00 0.00 H new ATOM 534 N LEU A 839 0.219 2.637 -9.441 1.00 0.00 N ATOM 535 CA LEU A 839 -0.430 3.554 -10.422 1.00 0.00 C ATOM 536 C LEU A 839 -1.567 4.325 -9.739 1.00 0.00 C ATOM 537 O LEU A 839 -2.094 3.878 -8.741 1.00 0.00 O ATOM 538 CB LEU A 839 -0.983 2.638 -11.519 1.00 0.00 C ATOM 539 CG LEU A 839 -0.362 3.013 -12.870 1.00 0.00 C ATOM 540 CD1 LEU A 839 0.641 1.937 -13.293 1.00 0.00 C ATOM 541 CD2 LEU A 839 -1.466 3.122 -13.926 1.00 0.00 C ATOM 0 H LEU A 839 -0.322 2.453 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 839 0.263 4.292 -10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -0.761 1.597 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -2.068 2.729 -11.569 1.00 0.00 H new ATOM 0 HG LEU A 839 0.152 3.970 -12.777 1.00 0.00 H new ATOM 0 HD11 LEU A 839 1.080 2.207 -14.253 1.00 0.00 H new ATOM 0 HD12 LEU A 839 1.428 1.858 -12.543 1.00 0.00 H new ATOM 0 HD13 LEU A 839 0.130 0.979 -13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -1.025 3.389 -14.887 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -1.980 2.165 -14.015 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -2.180 3.890 -13.628 1.00 0.00 H new ATOM 553 N PRO A 840 -1.925 5.459 -10.302 1.00 0.00 N ATOM 554 CA PRO A 840 -3.021 6.272 -9.727 1.00 0.00 C ATOM 555 C PRO A 840 -4.295 5.432 -9.673 1.00 0.00 C ATOM 556 O PRO A 840 -4.561 4.667 -10.576 1.00 0.00 O ATOM 557 CB PRO A 840 -3.151 7.422 -10.727 1.00 0.00 C ATOM 558 CG PRO A 840 -2.109 7.226 -11.847 1.00 0.00 C ATOM 559 CD PRO A 840 -1.272 5.979 -11.528 1.00 0.00 C ATOM 0 HA PRO A 840 -2.840 6.623 -8.711 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -4.157 7.445 -11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -2.992 8.377 -10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -2.606 7.111 -12.810 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -1.466 8.103 -11.923 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -1.299 5.253 -12.341 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -0.224 6.226 -11.356 1.00 0.00 H new ATOM 566 N SER A 841 -5.068 5.542 -8.613 1.00 0.00 N ATOM 567 CA SER A 841 -6.306 4.734 -8.486 1.00 0.00 C ATOM 568 C SER A 841 -6.881 4.434 -9.859 1.00 0.00 C ATOM 569 O SER A 841 -6.867 5.256 -10.755 1.00 0.00 O ATOM 570 CB SER A 841 -7.263 5.604 -7.669 1.00 0.00 C ATOM 571 OG SER A 841 -7.937 6.510 -8.534 1.00 0.00 O ATOM 0 H SER A 841 -4.883 6.167 -7.828 1.00 0.00 H new ATOM 0 HA SER A 841 -6.127 3.771 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 841 -7.986 4.977 -7.147 1.00 0.00 H new ATOM 0 HB3 SER A 841 -6.711 6.155 -6.908 1.00 0.00 H new ATOM 0 HG SER A 841 -8.551 7.066 -8.011 1.00 0.00 H new ATOM 577 N GLY A 842 -7.367 3.256 -10.021 1.00 0.00 N ATOM 578 CA GLY A 842 -7.928 2.860 -11.339 1.00 0.00 C ATOM 579 C GLY A 842 -9.450 2.908 -11.303 1.00 0.00 C ATOM 580 O GLY A 842 -10.055 3.909 -11.629 1.00 0.00 O ATOM 0 H GLY A 842 -7.405 2.537 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 842 -7.555 3.527 -12.116 1.00 0.00 H new ATOM 0 HA3 GLY A 842 -7.595 1.854 -11.596 1.00 0.00 H new ATOM 584 N GLU A 843 -10.060 1.820 -10.915 1.00 0.00 N ATOM 585 CA GLU A 843 -11.551 1.731 -10.855 1.00 0.00 C ATOM 586 C GLU A 843 -11.932 0.254 -10.780 1.00 0.00 C ATOM 587 O GLU A 843 -11.843 -0.466 -11.755 1.00 0.00 O ATOM 588 CB GLU A 843 -12.077 2.354 -12.164 1.00 0.00 C ATOM 589 CG GLU A 843 -13.573 2.061 -12.337 1.00 0.00 C ATOM 590 CD GLU A 843 -14.378 2.878 -11.323 1.00 0.00 C ATOM 591 OE1 GLU A 843 -14.037 2.839 -10.153 1.00 0.00 O ATOM 592 OE2 GLU A 843 -15.325 3.528 -11.735 1.00 0.00 O ATOM 0 H GLU A 843 -9.576 0.968 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 843 -11.969 2.249 -9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 843 -11.911 3.431 -12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 843 -11.522 1.954 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 843 -13.887 2.309 -13.351 1.00 0.00 H new ATOM 0 HG3 GLU A 843 -13.764 0.997 -12.196 1.00 0.00 H new ATOM 599 N ARG A 844 -12.341 -0.211 -9.632 1.00 0.00 N ATOM 600 CA ARG A 844 -12.710 -1.652 -9.509 1.00 0.00 C ATOM 601 C ARG A 844 -13.723 -2.056 -10.598 1.00 0.00 C ATOM 602 O ARG A 844 -13.517 -3.030 -11.292 1.00 0.00 O ATOM 603 CB ARG A 844 -13.274 -1.812 -8.083 1.00 0.00 C ATOM 604 CG ARG A 844 -14.454 -2.791 -8.074 1.00 0.00 C ATOM 605 CD ARG A 844 -14.951 -2.980 -6.639 1.00 0.00 C ATOM 606 NE ARG A 844 -16.436 -3.031 -6.750 1.00 0.00 N ATOM 607 CZ ARG A 844 -17.048 -4.184 -6.778 1.00 0.00 C ATOM 608 NH1 ARG A 844 -17.720 -4.540 -7.838 1.00 0.00 N ATOM 609 NH2 ARG A 844 -16.989 -4.979 -5.745 1.00 0.00 N ATOM 0 H ARG A 844 -12.436 0.339 -8.778 1.00 0.00 H new ATOM 0 HA ARG A 844 -11.856 -2.312 -9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 844 -12.491 -2.172 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 844 -13.596 -0.843 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 844 -15.260 -2.411 -8.702 1.00 0.00 H new ATOM 0 HG3 ARG A 844 -14.148 -3.750 -8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 844 -14.556 -3.897 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 844 -14.631 -2.158 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 844 -16.974 -2.166 -6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 844 -17.767 -3.918 -8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 844 -18.198 -5.441 -7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 844 -16.465 -4.700 -4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 844 -17.467 -5.880 -5.767 1.00 0.00 H new ATOM 623 N PRO A 845 -14.765 -1.284 -10.729 1.00 0.00 N ATOM 624 CA PRO A 845 -15.799 -1.543 -11.760 1.00 0.00 C ATOM 625 C PRO A 845 -15.216 -1.316 -13.164 1.00 0.00 C ATOM 626 O PRO A 845 -15.691 -0.488 -13.916 1.00 0.00 O ATOM 627 CB PRO A 845 -16.860 -0.485 -11.433 1.00 0.00 C ATOM 628 CG PRO A 845 -16.373 0.346 -10.230 1.00 0.00 C ATOM 629 CD PRO A 845 -14.967 -0.130 -9.845 1.00 0.00 C ATOM 0 HA PRO A 845 -16.186 -2.562 -11.755 1.00 0.00 H new ATOM 0 HB2 PRO A 845 -17.028 0.160 -12.295 1.00 0.00 H new ATOM 0 HB3 PRO A 845 -17.812 -0.963 -11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 845 -16.358 1.406 -10.484 1.00 0.00 H new ATOM 0 HG3 PRO A 845 -17.056 0.230 -9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 845 -14.218 0.644 -10.011 1.00 0.00 H new ATOM 0 HD3 PRO A 845 -14.908 -0.410 -8.793 1.00 0.00 H new ATOM 636 N GLN A 846 -14.186 -2.041 -13.518 1.00 0.00 N ATOM 637 CA GLN A 846 -13.568 -1.862 -14.867 1.00 0.00 C ATOM 638 C GLN A 846 -12.660 -3.044 -15.187 1.00 0.00 C ATOM 639 O GLN A 846 -12.848 -3.747 -16.162 1.00 0.00 O ATOM 640 CB GLN A 846 -12.756 -0.572 -14.763 1.00 0.00 C ATOM 641 CG GLN A 846 -12.613 0.056 -16.152 1.00 0.00 C ATOM 642 CD GLN A 846 -13.686 1.130 -16.340 1.00 0.00 C ATOM 643 OE1 GLN A 846 -13.520 2.253 -15.907 1.00 0.00 O ATOM 644 NE2 GLN A 846 -14.787 0.831 -16.973 1.00 0.00 N ATOM 0 H GLN A 846 -13.746 -2.750 -12.931 1.00 0.00 H new ATOM 0 HA GLN A 846 -14.313 -1.809 -15.661 1.00 0.00 H new ATOM 0 HB2 GLN A 846 -13.248 0.126 -14.086 1.00 0.00 H new ATOM 0 HB3 GLN A 846 -11.772 -0.782 -14.344 1.00 0.00 H new ATOM 0 HG2 GLN A 846 -11.621 0.494 -16.264 1.00 0.00 H new ATOM 0 HG3 GLN A 846 -12.712 -0.710 -16.921 1.00 0.00 H new ATOM 0 HE21 GLN A 846 -14.926 -0.112 -17.337 1.00 0.00 H new ATOM 0 HE22 GLN A 846 -15.508 1.540 -17.104 1.00 0.00 H new ATOM 653 N ALA A 847 -11.688 -3.269 -14.360 1.00 0.00 N ATOM 654 CA ALA A 847 -10.758 -4.414 -14.582 1.00 0.00 C ATOM 655 C ALA A 847 -11.211 -5.592 -13.728 1.00 0.00 C ATOM 656 O ALA A 847 -10.583 -5.932 -12.745 1.00 0.00 O ATOM 657 CB ALA A 847 -9.377 -3.926 -14.132 1.00 0.00 C ATOM 0 H ALA A 847 -11.491 -2.708 -13.531 1.00 0.00 H new ATOM 0 HA ALA A 847 -10.738 -4.739 -15.622 1.00 0.00 H new ATOM 0 HB1 ALA A 847 -8.647 -4.723 -14.270 1.00 0.00 H new ATOM 0 HB2 ALA A 847 -9.086 -3.060 -14.726 1.00 0.00 H new ATOM 0 HB3 ALA A 847 -9.415 -3.647 -13.079 1.00 0.00 H new ATOM 663 N ASN A 848 -12.306 -6.206 -14.088 1.00 0.00 N ATOM 664 CA ASN A 848 -12.809 -7.358 -13.290 1.00 0.00 C ATOM 665 C ASN A 848 -11.788 -8.497 -13.324 1.00 0.00 C ATOM 666 O ASN A 848 -11.969 -9.489 -14.004 1.00 0.00 O ATOM 667 CB ASN A 848 -14.112 -7.779 -13.971 1.00 0.00 C ATOM 668 CG ASN A 848 -15.126 -8.214 -12.910 1.00 0.00 C ATOM 669 OD1 ASN A 848 -16.195 -7.647 -12.807 1.00 0.00 O ATOM 670 ND2 ASN A 848 -14.833 -9.204 -12.112 1.00 0.00 N ATOM 0 H ASN A 848 -12.872 -5.959 -14.899 1.00 0.00 H new ATOM 0 HA ASN A 848 -12.969 -7.101 -12.243 1.00 0.00 H new ATOM 0 HB2 ASN A 848 -14.514 -6.951 -14.555 1.00 0.00 H new ATOM 0 HB3 ASN A 848 -13.923 -8.597 -14.666 1.00 0.00 H new ATOM 0 HD21 ASN A 848 -15.502 -9.502 -11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 848 -13.935 -9.680 -12.199 1.00 0.00 H new ATOM 677 N GLN A 849 -10.712 -8.355 -12.600 1.00 0.00 N ATOM 678 CA GLN A 849 -9.670 -9.415 -12.591 1.00 0.00 C ATOM 679 C GLN A 849 -9.691 -10.160 -11.247 1.00 0.00 C ATOM 680 O GLN A 849 -10.568 -9.950 -10.434 1.00 0.00 O ATOM 681 CB GLN A 849 -8.350 -8.658 -12.766 1.00 0.00 C ATOM 682 CG GLN A 849 -7.342 -9.521 -13.530 1.00 0.00 C ATOM 683 CD GLN A 849 -5.938 -9.255 -12.983 1.00 0.00 C ATOM 684 OE1 GLN A 849 -5.413 -8.068 -13.124 1.00 0.00 O flip ATOM 685 NE2 GLN A 849 -5.313 -10.134 -12.424 1.00 0.00 N flip ATOM 0 H GLN A 849 -10.511 -7.546 -12.012 1.00 0.00 H new ATOM 0 HA GLN A 849 -9.822 -10.162 -13.370 1.00 0.00 H new ATOM 0 HB2 GLN A 849 -8.525 -7.727 -13.305 1.00 0.00 H new ATOM 0 HB3 GLN A 849 -7.944 -8.390 -11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 849 -7.593 -10.576 -13.423 1.00 0.00 H new ATOM 0 HG3 GLN A 849 -7.381 -9.290 -14.595 1.00 0.00 H new ATOM 0 HE21 GLN A 849 -5.724 -11.061 -12.314 1.00 0.00 H new ATOM 0 HE22 GLN A 849 -4.377 -9.945 -12.064 1.00 0.00 H new ATOM 694 N LYS A 850 -8.722 -11.016 -11.009 1.00 0.00 N ATOM 695 CA LYS A 850 -8.644 -11.786 -9.736 1.00 0.00 C ATOM 696 C LYS A 850 -7.657 -12.919 -9.948 1.00 0.00 C ATOM 697 O LYS A 850 -7.419 -13.340 -11.063 1.00 0.00 O ATOM 698 CB LYS A 850 -10.036 -12.359 -9.449 1.00 0.00 C ATOM 699 CG LYS A 850 -10.511 -13.196 -10.637 1.00 0.00 C ATOM 700 CD LYS A 850 -10.042 -14.639 -10.455 1.00 0.00 C ATOM 701 CE LYS A 850 -11.092 -15.596 -11.026 1.00 0.00 C ATOM 702 NZ LYS A 850 -11.944 -15.968 -9.863 1.00 0.00 N ATOM 0 H LYS A 850 -7.966 -11.213 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 850 -8.323 -11.162 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 850 -10.007 -12.973 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 850 -10.740 -11.549 -9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 850 -11.598 -13.161 -10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 850 -10.115 -12.787 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 850 -9.087 -14.788 -10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 850 -9.881 -14.849 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 850 -11.680 -15.116 -11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 850 -10.625 -16.475 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 850 -12.689 -16.624 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 850 -11.359 -16.428 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 850 -12.380 -15.112 -9.464 1.00 0.00 H new ATOM 716 N ARG A 851 -7.081 -13.416 -8.902 1.00 0.00 N ATOM 717 CA ARG A 851 -6.104 -14.530 -9.064 1.00 0.00 C ATOM 718 C ARG A 851 -5.484 -14.928 -7.726 1.00 0.00 C ATOM 719 O ARG A 851 -5.379 -16.098 -7.411 1.00 0.00 O ATOM 720 CB ARG A 851 -5.015 -13.985 -9.999 1.00 0.00 C ATOM 721 CG ARG A 851 -5.083 -14.710 -11.347 1.00 0.00 C ATOM 722 CD ARG A 851 -4.922 -13.697 -12.484 1.00 0.00 C ATOM 723 NE ARG A 851 -3.511 -13.846 -12.935 1.00 0.00 N ATOM 724 CZ ARG A 851 -3.254 -14.295 -14.133 1.00 0.00 C ATOM 725 NH1 ARG A 851 -2.860 -15.528 -14.297 1.00 0.00 N ATOM 726 NH2 ARG A 851 -3.389 -13.510 -15.167 1.00 0.00 N ATOM 0 H ARG A 851 -7.238 -13.106 -7.943 1.00 0.00 H new ATOM 0 HA ARG A 851 -6.590 -15.421 -9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 851 -5.150 -12.913 -10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 851 -4.032 -14.125 -9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 851 -4.299 -15.465 -11.405 1.00 0.00 H new ATOM 0 HG3 ARG A 851 -6.035 -15.232 -11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 851 -5.620 -13.901 -13.296 1.00 0.00 H new ATOM 0 HD3 ARG A 851 -5.121 -12.682 -12.140 1.00 0.00 H new ATOM 0 HE ARG A 851 -2.746 -13.597 -12.308 1.00 0.00 H new ATOM 0 HH11 ARG A 851 -2.753 -16.141 -13.489 1.00 0.00 H new ATOM 0 HH12 ARG A 851 -2.659 -15.879 -15.233 1.00 0.00 H new ATOM 0 HH21 ARG A 851 -3.695 -12.546 -15.039 1.00 0.00 H new ATOM 0 HH22 ARG A 851 -3.188 -13.861 -16.103 1.00 0.00 H new ATOM 740 N ILE A 852 -5.040 -13.977 -6.946 1.00 0.00 N ATOM 741 CA ILE A 852 -4.394 -14.340 -5.649 1.00 0.00 C ATOM 742 C ILE A 852 -4.586 -13.250 -4.605 1.00 0.00 C ATOM 743 O ILE A 852 -4.775 -13.520 -3.434 1.00 0.00 O ATOM 744 CB ILE A 852 -2.909 -14.476 -5.987 1.00 0.00 C ATOM 745 CG1 ILE A 852 -2.420 -13.178 -6.650 1.00 0.00 C ATOM 746 CG2 ILE A 852 -2.709 -15.652 -6.944 1.00 0.00 C ATOM 747 CD1 ILE A 852 -1.673 -12.327 -5.620 1.00 0.00 C ATOM 0 H ILE A 852 -5.095 -12.978 -7.146 1.00 0.00 H new ATOM 0 HA ILE A 852 -4.825 -15.249 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 852 -2.339 -14.655 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 852 -1.764 -13.411 -7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 852 -3.267 -12.621 -7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 852 -1.650 -15.749 -7.185 1.00 0.00 H new ATOM 0 HG22 ILE A 852 -3.059 -16.570 -6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 852 -3.275 -15.477 -7.859 1.00 0.00 H new ATOM 0 HD11 ILE A 852 -1.327 -11.407 -6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 852 -2.343 -12.083 -4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 852 -0.817 -12.884 -5.239 1.00 0.00 H new ATOM 759 N THR A 853 -4.519 -12.024 -5.017 1.00 0.00 N ATOM 760 CA THR A 853 -4.670 -10.911 -4.094 1.00 0.00 C ATOM 761 C THR A 853 -5.998 -10.996 -3.387 1.00 0.00 C ATOM 762 O THR A 853 -7.022 -11.313 -3.962 1.00 0.00 O ATOM 763 CB THR A 853 -4.624 -9.692 -5.001 1.00 0.00 C ATOM 764 OG1 THR A 853 -5.599 -9.833 -6.032 1.00 0.00 O ATOM 765 CG2 THR A 853 -3.247 -9.586 -5.644 1.00 0.00 C ATOM 0 H THR A 853 -4.361 -11.753 -5.988 1.00 0.00 H new ATOM 0 HA THR A 853 -3.907 -10.891 -3.316 1.00 0.00 H new ATOM 0 HB THR A 853 -4.828 -8.798 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 853 -6.184 -9.047 -6.038 1.00 0.00 H new ATOM 0 HG21 THR A 853 -3.215 -8.712 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 853 -2.489 -9.488 -4.867 1.00 0.00 H new ATOM 0 HG23 THR A 853 -3.050 -10.482 -6.232 1.00 0.00 H new ATOM 773 N THR A 854 -5.978 -10.683 -2.152 1.00 0.00 N ATOM 774 CA THR A 854 -7.219 -10.689 -1.362 1.00 0.00 C ATOM 775 C THR A 854 -7.756 -9.261 -1.353 1.00 0.00 C ATOM 776 O THR A 854 -6.982 -8.327 -1.371 1.00 0.00 O ATOM 777 CB THR A 854 -6.813 -11.142 0.046 1.00 0.00 C ATOM 778 OG1 THR A 854 -7.958 -11.145 0.887 1.00 0.00 O ATOM 779 CG2 THR A 854 -5.760 -10.190 0.624 1.00 0.00 C ATOM 0 H THR A 854 -5.140 -10.416 -1.636 1.00 0.00 H new ATOM 0 HA THR A 854 -7.992 -11.348 -1.757 1.00 0.00 H new ATOM 0 HB THR A 854 -6.392 -12.146 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 854 -7.702 -11.436 1.787 1.00 0.00 H new ATOM 0 HG21 THR A 854 -5.479 -10.522 1.624 1.00 0.00 H new ATOM 0 HG22 THR A 854 -4.879 -10.188 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 854 -6.171 -9.182 0.678 1.00 0.00 H new ATOM 787 N PRO A 855 -9.051 -9.127 -1.326 1.00 0.00 N ATOM 788 CA PRO A 855 -9.673 -7.784 -1.304 1.00 0.00 C ATOM 789 C PRO A 855 -9.135 -7.031 -0.092 1.00 0.00 C ATOM 790 O PRO A 855 -9.830 -6.817 0.881 1.00 0.00 O ATOM 791 CB PRO A 855 -11.165 -8.112 -1.166 1.00 0.00 C ATOM 792 CG PRO A 855 -11.328 -9.647 -1.124 1.00 0.00 C ATOM 793 CD PRO A 855 -9.947 -10.293 -1.308 1.00 0.00 C ATOM 0 HA PRO A 855 -9.473 -7.157 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -11.569 -7.663 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -11.724 -7.695 -2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -11.766 -9.955 -0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -12.007 -9.977 -1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -9.707 -10.977 -0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -9.887 -10.866 -2.234 1.00 0.00 H new ATOM 800 N TYR A 856 -7.880 -6.659 -0.141 1.00 0.00 N ATOM 801 CA TYR A 856 -7.242 -5.957 0.999 1.00 0.00 C ATOM 802 C TYR A 856 -5.769 -5.790 0.668 1.00 0.00 C ATOM 803 O TYR A 856 -4.982 -6.703 0.820 1.00 0.00 O ATOM 804 CB TYR A 856 -7.404 -6.886 2.192 1.00 0.00 C ATOM 805 CG TYR A 856 -6.931 -6.223 3.468 1.00 0.00 C ATOM 806 CD1 TYR A 856 -5.564 -6.000 3.689 1.00 0.00 C ATOM 807 CD2 TYR A 856 -7.861 -5.865 4.451 1.00 0.00 C ATOM 808 CE1 TYR A 856 -5.135 -5.416 4.885 1.00 0.00 C ATOM 809 CE2 TYR A 856 -7.431 -5.289 5.651 1.00 0.00 C ATOM 810 CZ TYR A 856 -6.067 -5.063 5.868 1.00 0.00 C ATOM 811 OH TYR A 856 -5.642 -4.499 7.053 1.00 0.00 O ATOM 0 H TYR A 856 -7.266 -6.818 -0.940 1.00 0.00 H new ATOM 0 HA TYR A 856 -7.677 -4.978 1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 856 -8.451 -7.173 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 856 -6.838 -7.802 2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 856 -4.843 -6.279 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 856 -8.914 -6.034 4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 856 -4.083 -5.237 5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 856 -8.151 -5.019 6.409 1.00 0.00 H new ATOM 0 HH TYR A 856 -6.288 -3.822 7.343 1.00 0.00 H new ATOM 821 N MET A 857 -5.400 -4.655 0.176 1.00 0.00 N ATOM 822 CA MET A 857 -3.983 -4.445 -0.212 1.00 0.00 C ATOM 823 C MET A 857 -3.049 -4.788 0.950 1.00 0.00 C ATOM 824 O MET A 857 -3.475 -4.901 2.081 1.00 0.00 O ATOM 825 CB MET A 857 -3.863 -2.965 -0.567 1.00 0.00 C ATOM 826 CG MET A 857 -2.577 -2.752 -1.367 1.00 0.00 C ATOM 827 SD MET A 857 -1.939 -1.089 -1.086 1.00 0.00 S ATOM 828 CE MET A 857 -3.280 -0.219 -1.913 1.00 0.00 C ATOM 0 H MET A 857 -6.017 -3.857 0.023 1.00 0.00 H new ATOM 0 HA MET A 857 -3.701 -5.085 -1.048 1.00 0.00 H new ATOM 0 HB2 MET A 857 -4.727 -2.646 -1.150 1.00 0.00 H new ATOM 0 HB3 MET A 857 -3.848 -2.360 0.339 1.00 0.00 H new ATOM 0 HG2 MET A 857 -1.831 -3.490 -1.074 1.00 0.00 H new ATOM 0 HG3 MET A 857 -2.772 -2.900 -2.429 1.00 0.00 H new ATOM 0 HE1 MET A 857 -3.118 0.856 -1.836 1.00 0.00 H new ATOM 0 HE2 MET A 857 -3.307 -0.507 -2.964 1.00 0.00 H new ATOM 0 HE3 MET A 857 -4.228 -0.478 -1.441 1.00 0.00 H new ATOM 838 N THR A 858 -1.781 -4.959 0.685 1.00 0.00 N ATOM 839 CA THR A 858 -0.847 -5.302 1.790 1.00 0.00 C ATOM 840 C THR A 858 0.288 -4.295 1.887 1.00 0.00 C ATOM 841 O THR A 858 0.867 -3.892 0.899 1.00 0.00 O ATOM 842 CB THR A 858 -0.345 -6.696 1.446 1.00 0.00 C ATOM 843 OG1 THR A 858 0.190 -6.700 0.129 1.00 0.00 O ATOM 844 CG2 THR A 858 -1.531 -7.656 1.529 1.00 0.00 C ATOM 0 H THR A 858 -1.358 -4.877 -0.239 1.00 0.00 H new ATOM 0 HA THR A 858 -1.331 -5.277 2.767 1.00 0.00 H new ATOM 0 HB THR A 858 0.438 -7.002 2.139 1.00 0.00 H new ATOM 0 HG1 THR A 858 0.635 -5.844 -0.046 1.00 0.00 H new ATOM 0 HG21 THR A 858 -1.200 -8.666 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 858 -1.941 -7.641 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 858 -2.300 -7.347 0.821 1.00 0.00 H new ATOM 852 N LYS A 859 0.570 -3.876 3.095 1.00 0.00 N ATOM 853 CA LYS A 859 1.644 -2.865 3.362 1.00 0.00 C ATOM 854 C LYS A 859 2.708 -2.770 2.249 1.00 0.00 C ATOM 855 O LYS A 859 3.147 -1.686 1.935 1.00 0.00 O ATOM 856 CB LYS A 859 2.289 -3.321 4.671 1.00 0.00 C ATOM 857 CG LYS A 859 2.892 -4.716 4.493 1.00 0.00 C ATOM 858 CD LYS A 859 3.027 -5.394 5.857 1.00 0.00 C ATOM 859 CE LYS A 859 4.275 -6.280 5.868 1.00 0.00 C ATOM 860 NZ LYS A 859 3.767 -7.661 5.635 1.00 0.00 N ATOM 0 H LYS A 859 0.087 -4.201 3.932 1.00 0.00 H new ATOM 0 HA LYS A 859 1.211 -1.866 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 859 3.064 -2.615 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 859 1.545 -3.335 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 859 2.260 -5.316 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 859 3.868 -4.643 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 859 3.095 -4.642 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 859 2.141 -5.994 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 859 4.978 -5.981 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 859 4.802 -6.208 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 859 4.565 -8.328 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 859 3.105 -7.920 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 859 3.276 -7.700 4.719 1.00 0.00 H new ATOM 874 N TYR A 860 3.145 -3.858 1.642 1.00 0.00 N ATOM 875 CA TYR A 860 4.180 -3.700 0.572 1.00 0.00 C ATOM 876 C TYR A 860 3.613 -2.871 -0.562 1.00 0.00 C ATOM 877 O TYR A 860 4.202 -1.890 -0.965 1.00 0.00 O ATOM 878 CB TYR A 860 4.546 -5.091 0.072 1.00 0.00 C ATOM 879 CG TYR A 860 5.580 -4.951 -1.035 1.00 0.00 C ATOM 880 CD1 TYR A 860 5.212 -4.403 -2.272 1.00 0.00 C ATOM 881 CD2 TYR A 860 6.912 -5.323 -0.815 1.00 0.00 C ATOM 882 CE1 TYR A 860 6.164 -4.226 -3.277 1.00 0.00 C ATOM 883 CE2 TYR A 860 7.862 -5.151 -1.831 1.00 0.00 C ATOM 884 CZ TYR A 860 7.489 -4.600 -3.058 1.00 0.00 C ATOM 885 OH TYR A 860 8.430 -4.425 -4.052 1.00 0.00 O ATOM 0 H TYR A 860 2.840 -4.812 1.835 1.00 0.00 H new ATOM 0 HA TYR A 860 5.064 -3.195 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 860 4.944 -5.694 0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 860 3.660 -5.605 -0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 860 4.186 -4.116 -2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 860 7.207 -5.742 0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 860 5.874 -3.799 -4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 860 8.887 -5.446 -1.664 1.00 0.00 H new ATOM 0 HH TYR A 860 9.303 -4.737 -3.734 1.00 0.00 H new ATOM 895 N GLU A 861 2.470 -3.241 -1.080 1.00 0.00 N ATOM 896 CA GLU A 861 1.877 -2.428 -2.177 1.00 0.00 C ATOM 897 C GLU A 861 1.988 -0.972 -1.756 1.00 0.00 C ATOM 898 O GLU A 861 2.362 -0.110 -2.521 1.00 0.00 O ATOM 899 CB GLU A 861 0.419 -2.870 -2.269 1.00 0.00 C ATOM 900 CG GLU A 861 0.350 -4.266 -2.888 1.00 0.00 C ATOM 901 CD GLU A 861 -1.111 -4.700 -2.994 1.00 0.00 C ATOM 902 OE1 GLU A 861 -1.738 -4.365 -3.985 1.00 0.00 O ATOM 903 OE2 GLU A 861 -1.580 -5.353 -2.078 1.00 0.00 O ATOM 0 H GLU A 861 1.931 -4.058 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 861 2.367 -2.552 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 861 -0.034 -2.877 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 861 -0.149 -2.163 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 861 0.813 -4.262 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 861 0.909 -4.975 -2.277 1.00 0.00 H new ATOM 910 N ARG A 862 1.720 -0.723 -0.506 1.00 0.00 N ATOM 911 CA ARG A 862 1.859 0.656 0.029 1.00 0.00 C ATOM 912 C ARG A 862 3.343 1.002 0.163 1.00 0.00 C ATOM 913 O ARG A 862 3.746 2.128 -0.036 1.00 0.00 O ATOM 914 CB ARG A 862 1.225 0.627 1.405 1.00 0.00 C ATOM 915 CG ARG A 862 1.043 2.068 1.894 1.00 0.00 C ATOM 916 CD ARG A 862 1.939 2.317 3.111 1.00 0.00 C ATOM 917 NE ARG A 862 3.128 3.038 2.576 1.00 0.00 N ATOM 918 CZ ARG A 862 4.118 3.340 3.371 1.00 0.00 C ATOM 919 NH1 ARG A 862 4.182 4.525 3.914 1.00 0.00 N ATOM 920 NH2 ARG A 862 5.044 2.456 3.625 1.00 0.00 N ATOM 0 H ARG A 862 1.409 -1.420 0.171 1.00 0.00 H new ATOM 0 HA ARG A 862 1.390 1.394 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 862 0.263 0.117 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 862 1.854 0.069 2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 862 1.294 2.767 1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 862 -0.000 2.244 2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 862 1.424 2.912 3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 862 2.227 1.380 3.587 1.00 0.00 H new ATOM 0 HE ARG A 862 3.168 3.295 1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 862 3.458 5.216 3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 862 4.956 4.760 4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 862 4.994 1.529 3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 862 5.818 2.692 4.246 1.00 0.00 H new ATOM 934 N ALA A 863 4.157 0.042 0.507 1.00 0.00 N ATOM 935 CA ALA A 863 5.614 0.327 0.649 1.00 0.00 C ATOM 936 C ALA A 863 6.249 0.543 -0.727 1.00 0.00 C ATOM 937 O ALA A 863 7.266 1.206 -0.865 1.00 0.00 O ATOM 938 CB ALA A 863 6.202 -0.911 1.327 1.00 0.00 C ATOM 0 H ALA A 863 3.879 -0.921 0.695 1.00 0.00 H new ATOM 0 HA ALA A 863 5.801 1.231 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 863 7.275 -0.775 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 863 5.726 -1.055 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 863 6.025 -1.787 0.702 1.00 0.00 H new ATOM 944 N ARG A 864 5.615 0.069 -1.761 1.00 0.00 N ATOM 945 CA ARG A 864 6.160 0.315 -3.123 1.00 0.00 C ATOM 946 C ARG A 864 5.592 1.657 -3.496 1.00 0.00 C ATOM 947 O ARG A 864 6.253 2.555 -3.977 1.00 0.00 O ATOM 948 CB ARG A 864 5.619 -0.806 -4.014 1.00 0.00 C ATOM 949 CG ARG A 864 6.793 -1.565 -4.639 1.00 0.00 C ATOM 950 CD ARG A 864 7.621 -0.613 -5.507 1.00 0.00 C ATOM 951 NE ARG A 864 8.005 -1.417 -6.700 1.00 0.00 N ATOM 952 CZ ARG A 864 7.631 -1.037 -7.891 1.00 0.00 C ATOM 953 NH1 ARG A 864 8.527 -0.747 -8.794 1.00 0.00 N ATOM 954 NH2 ARG A 864 6.361 -0.947 -8.179 1.00 0.00 N ATOM 0 H ARG A 864 4.752 -0.473 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 864 7.247 0.320 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 864 5.002 -1.487 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 864 4.982 -0.391 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 864 7.418 -1.995 -3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 864 6.423 -2.393 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 864 7.042 0.265 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 864 8.501 -0.255 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 864 8.560 -2.265 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 864 9.519 -0.817 -8.569 1.00 0.00 H new ATOM 0 HH12 ARG A 864 8.235 -0.450 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 864 5.661 -1.174 -7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 864 6.069 -0.650 -9.110 1.00 0.00 H new ATOM 968 N VAL A 865 4.353 1.785 -3.149 1.00 0.00 N ATOM 969 CA VAL A 865 3.607 3.040 -3.309 1.00 0.00 C ATOM 970 C VAL A 865 4.432 4.148 -2.678 1.00 0.00 C ATOM 971 O VAL A 865 4.881 5.050 -3.325 1.00 0.00 O ATOM 972 CB VAL A 865 2.372 2.731 -2.471 1.00 0.00 C ATOM 973 CG1 VAL A 865 1.906 3.939 -1.688 1.00 0.00 C ATOM 974 CG2 VAL A 865 1.273 2.239 -3.365 1.00 0.00 C ATOM 0 H VAL A 865 3.804 1.028 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 865 3.378 3.351 -4.328 1.00 0.00 H new ATOM 0 HB VAL A 865 2.637 1.958 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 865 1.024 3.676 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 865 2.700 4.267 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 865 1.658 4.746 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 865 0.389 2.018 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 865 1.031 3.007 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 865 1.599 1.335 -3.879 1.00 0.00 H new ATOM 984 N LEU A 866 4.648 4.022 -1.405 1.00 0.00 N ATOM 985 CA LEU A 866 5.472 4.983 -0.637 1.00 0.00 C ATOM 986 C LEU A 866 6.669 5.319 -1.492 1.00 0.00 C ATOM 987 O LEU A 866 7.077 6.453 -1.600 1.00 0.00 O ATOM 988 CB LEU A 866 5.871 4.214 0.640 1.00 0.00 C ATOM 989 CG LEU A 866 7.288 4.593 1.104 1.00 0.00 C ATOM 990 CD1 LEU A 866 7.321 4.666 2.632 1.00 0.00 C ATOM 991 CD2 LEU A 866 8.286 3.531 0.633 1.00 0.00 C ATOM 0 H LEU A 866 4.270 3.259 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 866 4.972 5.916 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 866 5.157 4.430 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 866 5.823 3.142 0.451 1.00 0.00 H new ATOM 0 HG LEU A 866 7.557 5.561 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 866 8.325 4.934 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 866 6.612 5.420 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 866 7.050 3.696 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 866 9.289 3.802 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 866 8.014 2.564 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 866 8.266 3.470 -0.455 1.00 0.00 H new ATOM 1003 N GLY A 867 7.209 4.330 -2.143 1.00 0.00 N ATOM 1004 CA GLY A 867 8.343 4.610 -3.035 1.00 0.00 C ATOM 1005 C GLY A 867 7.855 5.503 -4.166 1.00 0.00 C ATOM 1006 O GLY A 867 8.450 6.507 -4.460 1.00 0.00 O ATOM 0 H GLY A 867 6.913 3.355 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 867 9.146 5.100 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 867 8.750 3.681 -3.434 1.00 0.00 H new ATOM 1010 N THR A 868 6.757 5.149 -4.782 1.00 0.00 N ATOM 1011 CA THR A 868 6.221 5.995 -5.920 1.00 0.00 C ATOM 1012 C THR A 868 5.586 7.254 -5.399 1.00 0.00 C ATOM 1013 O THR A 868 5.494 8.246 -6.090 1.00 0.00 O ATOM 1014 CB THR A 868 5.173 5.153 -6.610 1.00 0.00 C ATOM 1015 OG1 THR A 868 3.970 5.154 -5.852 1.00 0.00 O ATOM 1016 CG2 THR A 868 5.714 3.760 -6.720 1.00 0.00 C ATOM 0 H THR A 868 6.204 4.321 -4.558 1.00 0.00 H new ATOM 0 HA THR A 868 7.025 6.288 -6.595 1.00 0.00 H new ATOM 0 HB THR A 868 4.948 5.554 -7.598 1.00 0.00 H new ATOM 0 HG1 THR A 868 4.186 5.149 -4.896 1.00 0.00 H new ATOM 0 HG21 THR A 868 4.981 3.123 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 868 6.636 3.772 -7.302 1.00 0.00 H new ATOM 0 HG23 THR A 868 5.920 3.370 -5.723 1.00 0.00 H new ATOM 1024 N ARG A 869 5.222 7.245 -4.165 1.00 0.00 N ATOM 1025 CA ARG A 869 4.679 8.469 -3.568 1.00 0.00 C ATOM 1026 C ARG A 869 5.910 9.295 -3.336 1.00 0.00 C ATOM 1027 O ARG A 869 6.007 10.425 -3.740 1.00 0.00 O ATOM 1028 CB ARG A 869 4.015 8.050 -2.255 1.00 0.00 C ATOM 1029 CG ARG A 869 2.557 8.519 -2.252 1.00 0.00 C ATOM 1030 CD ARG A 869 1.666 7.429 -1.652 1.00 0.00 C ATOM 1031 NE ARG A 869 0.530 7.292 -2.606 1.00 0.00 N ATOM 1032 CZ ARG A 869 0.464 6.258 -3.400 1.00 0.00 C ATOM 1033 NH1 ARG A 869 -0.255 5.222 -3.063 1.00 0.00 N ATOM 1034 NH2 ARG A 869 1.117 6.260 -4.530 1.00 0.00 N ATOM 0 H ARG A 869 5.278 6.439 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 869 3.942 9.013 -4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 869 4.061 6.967 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 869 4.550 8.483 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.462 9.439 -1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 869 2.236 8.746 -3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 869 2.208 6.489 -1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 869 1.316 7.708 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 869 -0.197 8.007 -2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 869 -0.765 5.221 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 869 -0.307 4.414 -3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 869 1.679 7.070 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 869 1.065 5.452 -5.150 1.00 0.00 H new ATOM 1048 N ALA A 870 6.880 8.670 -2.731 1.00 0.00 N ATOM 1049 CA ALA A 870 8.185 9.344 -2.491 1.00 0.00 C ATOM 1050 C ALA A 870 8.817 9.874 -3.792 1.00 0.00 C ATOM 1051 O ALA A 870 9.437 10.912 -3.784 1.00 0.00 O ATOM 1052 CB ALA A 870 9.070 8.259 -1.884 1.00 0.00 C ATOM 0 H ALA A 870 6.823 7.711 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 870 8.065 10.214 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 870 10.057 8.670 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 870 8.622 7.900 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 870 9.164 7.431 -2.586 1.00 0.00 H new ATOM 1058 N LEU A 871 8.663 9.211 -4.915 1.00 0.00 N ATOM 1059 CA LEU A 871 9.273 9.791 -6.173 1.00 0.00 C ATOM 1060 C LEU A 871 8.265 10.712 -6.797 1.00 0.00 C ATOM 1061 O LEU A 871 8.609 11.759 -7.312 1.00 0.00 O ATOM 1062 CB LEU A 871 9.693 8.686 -7.171 1.00 0.00 C ATOM 1063 CG LEU A 871 9.267 7.295 -6.727 1.00 0.00 C ATOM 1064 CD1 LEU A 871 8.990 6.438 -7.961 1.00 0.00 C ATOM 1065 CD2 LEU A 871 10.396 6.662 -5.906 1.00 0.00 C ATOM 0 H LEU A 871 8.164 8.328 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 871 10.180 10.337 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 871 9.257 8.900 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 871 10.776 8.707 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 871 8.365 7.359 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 871 8.684 5.439 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 871 8.194 6.894 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 871 9.894 6.368 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 871 10.097 5.664 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 871 11.295 6.592 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 871 10.600 7.279 -5.031 1.00 0.00 H new ATOM 1077 N GLN A 872 7.012 10.356 -6.725 1.00 0.00 N ATOM 1078 CA GLN A 872 5.979 11.264 -7.285 1.00 0.00 C ATOM 1079 C GLN A 872 6.336 12.687 -6.846 1.00 0.00 C ATOM 1080 O GLN A 872 6.691 13.542 -7.638 1.00 0.00 O ATOM 1081 CB GLN A 872 4.684 10.790 -6.628 1.00 0.00 C ATOM 1082 CG GLN A 872 3.867 9.967 -7.630 1.00 0.00 C ATOM 1083 CD GLN A 872 2.495 9.652 -7.033 1.00 0.00 C ATOM 1084 OE1 GLN A 872 1.984 10.402 -6.226 1.00 0.00 O ATOM 1085 NE2 GLN A 872 1.872 8.564 -7.398 1.00 0.00 N ATOM 0 H GLN A 872 6.665 9.491 -6.310 1.00 0.00 H new ATOM 0 HA GLN A 872 5.899 11.257 -8.372 1.00 0.00 H new ATOM 0 HB2 GLN A 872 4.911 10.188 -5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 872 4.103 11.647 -6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 872 3.751 10.520 -8.562 1.00 0.00 H new ATOM 0 HG3 GLN A 872 4.392 9.042 -7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 872 2.301 7.934 -8.076 1.00 0.00 H new ATOM 0 HE22 GLN A 872 0.957 8.344 -7.005 1.00 0.00 H new ATOM 1094 N ILE A 873 6.286 12.909 -5.572 1.00 0.00 N ATOM 1095 CA ILE A 873 6.661 14.229 -4.989 1.00 0.00 C ATOM 1096 C ILE A 873 8.110 14.538 -5.245 1.00 0.00 C ATOM 1097 O ILE A 873 8.478 15.679 -5.437 1.00 0.00 O ATOM 1098 CB ILE A 873 6.497 14.061 -3.491 1.00 0.00 C ATOM 1099 CG1 ILE A 873 6.864 12.622 -3.084 1.00 0.00 C ATOM 1100 CG2 ILE A 873 5.064 14.384 -3.144 1.00 0.00 C ATOM 1101 CD1 ILE A 873 8.129 12.631 -2.244 1.00 0.00 C ATOM 0 H ILE A 873 5.993 12.214 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 873 6.053 15.025 -5.419 1.00 0.00 H new ATOM 0 HB ILE A 873 7.161 14.733 -2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 873 6.046 12.174 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 873 7.012 12.009 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 873 4.915 14.272 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 873 4.842 15.410 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 873 4.399 13.704 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 873 8.384 11.610 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 873 8.947 13.061 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 873 7.966 13.228 -1.347 1.00 0.00 H new ATOM 1113 N ALA A 874 8.949 13.540 -5.250 1.00 0.00 N ATOM 1114 CA ALA A 874 10.384 13.818 -5.495 1.00 0.00 C ATOM 1115 C ALA A 874 10.507 14.601 -6.788 1.00 0.00 C ATOM 1116 O ALA A 874 11.494 15.262 -7.043 1.00 0.00 O ATOM 1117 CB ALA A 874 11.072 12.466 -5.573 1.00 0.00 C ATOM 0 H ALA A 874 8.706 12.561 -5.097 1.00 0.00 H new ATOM 0 HA ALA A 874 10.846 14.415 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 874 12.137 12.610 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 874 10.932 11.932 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 874 10.641 11.885 -6.388 1.00 0.00 H new ATOM 1123 N MET A 875 9.463 14.599 -7.568 1.00 0.00 N ATOM 1124 CA MET A 875 9.481 15.422 -8.796 1.00 0.00 C ATOM 1125 C MET A 875 8.850 16.750 -8.398 1.00 0.00 C ATOM 1126 O MET A 875 9.486 17.784 -8.351 1.00 0.00 O ATOM 1127 CB MET A 875 8.612 14.673 -9.809 1.00 0.00 C ATOM 1128 CG MET A 875 9.320 14.641 -11.165 1.00 0.00 C ATOM 1129 SD MET A 875 8.936 16.153 -12.083 1.00 0.00 S ATOM 1130 CE MET A 875 7.368 15.595 -12.792 1.00 0.00 C ATOM 0 H MET A 875 8.608 14.067 -7.406 1.00 0.00 H new ATOM 0 HA MET A 875 10.469 15.595 -9.223 1.00 0.00 H new ATOM 0 HB2 MET A 875 8.423 13.657 -9.461 1.00 0.00 H new ATOM 0 HB3 MET A 875 7.643 15.162 -9.905 1.00 0.00 H new ATOM 0 HG2 MET A 875 10.397 14.553 -11.023 1.00 0.00 H new ATOM 0 HG3 MET A 875 9.001 13.767 -11.733 1.00 0.00 H new ATOM 0 HE1 MET A 875 6.729 16.457 -12.986 1.00 0.00 H new ATOM 0 HE2 MET A 875 7.559 15.067 -13.726 1.00 0.00 H new ATOM 0 HE3 MET A 875 6.870 14.925 -12.091 1.00 0.00 H new ATOM 1140 N CYS A 876 7.604 16.683 -8.044 1.00 0.00 N ATOM 1141 CA CYS A 876 6.867 17.881 -7.555 1.00 0.00 C ATOM 1142 C CYS A 876 6.021 17.454 -6.360 1.00 0.00 C ATOM 1143 O CYS A 876 6.407 17.611 -5.218 1.00 0.00 O ATOM 1144 CB CYS A 876 5.997 18.342 -8.727 1.00 0.00 C ATOM 1145 SG CYS A 876 6.893 19.586 -9.689 1.00 0.00 S ATOM 0 H CYS A 876 7.048 15.828 -8.073 1.00 0.00 H new ATOM 0 HA CYS A 876 7.518 18.693 -7.233 1.00 0.00 H new ATOM 0 HB2 CYS A 876 5.741 17.492 -9.360 1.00 0.00 H new ATOM 0 HB3 CYS A 876 5.060 18.758 -8.357 1.00 0.00 H new ATOM 0 HG CYS A 876 6.156 19.977 -10.686 1.00 0.00 H new ATOM 1151 N ALA A 877 4.878 16.876 -6.627 1.00 0.00 N ATOM 1152 CA ALA A 877 4.001 16.390 -5.520 1.00 0.00 C ATOM 1153 C ALA A 877 2.665 15.799 -6.016 1.00 0.00 C ATOM 1154 O ALA A 877 1.621 16.161 -5.510 1.00 0.00 O ATOM 1155 CB ALA A 877 3.753 17.596 -4.628 1.00 0.00 C ATOM 0 H ALA A 877 4.513 16.719 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 877 4.492 15.573 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 877 3.114 17.306 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 877 4.704 17.967 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 877 3.263 18.381 -5.205 1.00 0.00 H new ATOM 1161 N PRO A 878 2.724 14.861 -6.939 1.00 0.00 N ATOM 1162 CA PRO A 878 1.487 14.186 -7.416 1.00 0.00 C ATOM 1163 C PRO A 878 0.859 13.448 -6.231 1.00 0.00 C ATOM 1164 O PRO A 878 -0.282 13.030 -6.253 1.00 0.00 O ATOM 1165 CB PRO A 878 2.023 13.183 -8.432 1.00 0.00 C ATOM 1166 CG PRO A 878 3.553 13.310 -8.487 1.00 0.00 C ATOM 1167 CD PRO A 878 3.996 14.432 -7.549 1.00 0.00 C ATOM 0 HA PRO A 878 0.734 14.855 -7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 878 1.738 12.170 -8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 878 1.592 13.373 -9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 878 4.019 12.369 -8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 878 3.876 13.522 -9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 878 4.706 14.079 -6.801 1.00 0.00 H new ATOM 0 HD3 PRO A 878 4.481 15.245 -8.090 1.00 0.00 H new ATOM 1174 N VAL A 879 1.638 13.296 -5.199 1.00 0.00 N ATOM 1175 CA VAL A 879 1.201 12.601 -3.960 1.00 0.00 C ATOM 1176 C VAL A 879 -0.095 13.239 -3.450 1.00 0.00 C ATOM 1177 O VAL A 879 -0.622 14.161 -4.042 1.00 0.00 O ATOM 1178 CB VAL A 879 2.407 12.863 -3.025 1.00 0.00 C ATOM 1179 CG1 VAL A 879 2.062 12.757 -1.531 1.00 0.00 C ATOM 1180 CG2 VAL A 879 3.526 11.862 -3.366 1.00 0.00 C ATOM 0 H VAL A 879 2.598 13.639 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 879 0.972 11.540 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 879 2.727 13.891 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 879 2.955 12.953 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 879 1.293 13.488 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 879 1.693 11.755 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 879 4.382 12.037 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 879 3.161 10.845 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 879 3.829 11.995 -4.405 1.00 0.00 H new ATOM 1190 N MET A 880 -0.622 12.736 -2.377 1.00 0.00 N ATOM 1191 CA MET A 880 -1.906 13.285 -1.838 1.00 0.00 C ATOM 1192 C MET A 880 -1.626 14.370 -0.799 1.00 0.00 C ATOM 1193 O MET A 880 -2.467 14.712 0.008 1.00 0.00 O ATOM 1194 CB MET A 880 -2.618 12.092 -1.198 1.00 0.00 C ATOM 1195 CG MET A 880 -4.034 11.982 -1.769 1.00 0.00 C ATOM 1196 SD MET A 880 -5.017 13.401 -1.224 1.00 0.00 S ATOM 1197 CE MET A 880 -5.655 13.872 -2.851 1.00 0.00 C ATOM 0 H MET A 880 -0.223 11.965 -1.842 1.00 0.00 H new ATOM 0 HA MET A 880 -2.513 13.746 -2.617 1.00 0.00 H new ATOM 0 HB2 MET A 880 -2.062 11.175 -1.393 1.00 0.00 H new ATOM 0 HB3 MET A 880 -2.659 12.216 -0.116 1.00 0.00 H new ATOM 0 HG2 MET A 880 -3.997 11.949 -2.858 1.00 0.00 H new ATOM 0 HG3 MET A 880 -4.500 11.054 -1.437 1.00 0.00 H new ATOM 0 HE1 MET A 880 -6.300 14.745 -2.750 1.00 0.00 H new ATOM 0 HE2 MET A 880 -4.823 14.110 -3.513 1.00 0.00 H new ATOM 0 HE3 MET A 880 -6.227 13.045 -3.271 1.00 0.00 H new ATOM 1207 N VAL A 881 -0.459 14.934 -0.857 1.00 0.00 N ATOM 1208 CA VAL A 881 -0.074 16.024 0.054 1.00 0.00 C ATOM 1209 C VAL A 881 0.948 16.857 -0.712 1.00 0.00 C ATOM 1210 O VAL A 881 1.462 16.428 -1.728 1.00 0.00 O ATOM 1211 CB VAL A 881 0.512 15.364 1.311 1.00 0.00 C ATOM 1212 CG1 VAL A 881 -0.601 14.620 2.069 1.00 0.00 C ATOM 1213 CG2 VAL A 881 1.607 14.368 0.926 1.00 0.00 C ATOM 0 H VAL A 881 0.266 14.670 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 881 -0.893 16.671 0.368 1.00 0.00 H new ATOM 0 HB VAL A 881 0.940 16.140 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -0.184 14.152 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -1.378 15.327 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -1.031 13.853 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 881 2.013 13.908 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 881 1.186 13.596 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 881 2.403 14.890 0.394 1.00 0.00 H new ATOM 1223 N GLU A 882 1.208 18.042 -0.287 1.00 0.00 N ATOM 1224 CA GLU A 882 2.158 18.901 -1.059 1.00 0.00 C ATOM 1225 C GLU A 882 3.076 19.731 -0.153 1.00 0.00 C ATOM 1226 O GLU A 882 2.838 20.903 0.067 1.00 0.00 O ATOM 1227 CB GLU A 882 1.251 19.828 -1.869 1.00 0.00 C ATOM 1228 CG GLU A 882 1.845 20.042 -3.261 1.00 0.00 C ATOM 1229 CD GLU A 882 1.036 21.106 -4.005 1.00 0.00 C ATOM 1230 OE1 GLU A 882 0.759 22.135 -3.411 1.00 0.00 O ATOM 1231 OE2 GLU A 882 0.707 20.875 -5.157 1.00 0.00 O ATOM 0 H GLU A 882 0.815 18.465 0.554 1.00 0.00 H new ATOM 0 HA GLU A 882 2.825 18.294 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 882 0.254 19.396 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 882 1.143 20.785 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 882 2.886 20.353 -3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 882 1.835 19.106 -3.820 1.00 0.00 H new ATOM 1238 N LEU A 883 4.135 19.155 0.352 1.00 0.00 N ATOM 1239 CA LEU A 883 5.061 19.962 1.212 1.00 0.00 C ATOM 1240 C LEU A 883 5.580 21.168 0.408 1.00 0.00 C ATOM 1241 O LEU A 883 5.047 22.256 0.503 1.00 0.00 O ATOM 1242 CB LEU A 883 6.243 19.062 1.657 1.00 0.00 C ATOM 1243 CG LEU A 883 6.262 17.698 0.945 1.00 0.00 C ATOM 1244 CD1 LEU A 883 6.614 17.882 -0.534 1.00 0.00 C ATOM 1245 CD2 LEU A 883 7.318 16.806 1.605 1.00 0.00 C ATOM 0 H LEU A 883 4.399 18.180 0.212 1.00 0.00 H new ATOM 0 HA LEU A 883 4.536 20.328 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 883 7.181 19.581 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 883 6.186 18.903 2.734 1.00 0.00 H new ATOM 0 HG LEU A 883 5.277 17.237 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 883 6.625 16.911 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 883 5.870 18.523 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 883 7.598 18.344 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 883 7.339 15.837 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 883 8.297 17.278 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 883 7.071 16.668 2.658 1.00 0.00 H new ATOM 1257 N GLU A 884 6.614 20.987 -0.379 1.00 0.00 N ATOM 1258 CA GLU A 884 7.159 22.126 -1.178 1.00 0.00 C ATOM 1259 C GLU A 884 7.604 21.667 -2.580 1.00 0.00 C ATOM 1260 O GLU A 884 8.101 22.455 -3.362 1.00 0.00 O ATOM 1261 CB GLU A 884 8.367 22.613 -0.378 1.00 0.00 C ATOM 1262 CG GLU A 884 8.173 24.080 0.010 1.00 0.00 C ATOM 1263 CD GLU A 884 9.384 24.560 0.813 1.00 0.00 C ATOM 1264 OE1 GLU A 884 10.474 24.552 0.266 1.00 0.00 O ATOM 1265 OE2 GLU A 884 9.200 24.925 1.963 1.00 0.00 O ATOM 0 H GLU A 884 7.102 20.100 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 884 6.410 22.903 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 884 8.492 22.004 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 884 9.276 22.501 -0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 884 8.051 24.691 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 884 7.264 24.194 0.600 1.00 0.00 H new ATOM 1272 N GLY A 885 7.450 20.407 -2.901 1.00 0.00 N ATOM 1273 CA GLY A 885 7.884 19.914 -4.236 1.00 0.00 C ATOM 1274 C GLY A 885 8.795 18.694 -4.050 1.00 0.00 C ATOM 1275 O GLY A 885 9.066 17.976 -4.989 1.00 0.00 O ATOM 0 H GLY A 885 7.041 19.699 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 885 7.016 19.646 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 885 8.414 20.701 -4.773 1.00 0.00 H new ATOM 1279 N GLU A 886 9.261 18.467 -2.833 1.00 0.00 N ATOM 1280 CA GLU A 886 10.163 17.309 -2.511 1.00 0.00 C ATOM 1281 C GLU A 886 11.167 17.751 -1.451 1.00 0.00 C ATOM 1282 O GLU A 886 11.791 18.789 -1.571 1.00 0.00 O ATOM 1283 CB GLU A 886 10.910 16.921 -3.798 1.00 0.00 C ATOM 1284 CG GLU A 886 12.172 16.116 -3.461 1.00 0.00 C ATOM 1285 CD GLU A 886 12.882 15.709 -4.754 1.00 0.00 C ATOM 1286 OE1 GLU A 886 13.088 16.575 -5.590 1.00 0.00 O ATOM 1287 OE2 GLU A 886 13.207 14.541 -4.887 1.00 0.00 O ATOM 0 H GLU A 886 9.044 19.057 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 886 9.592 16.460 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 886 10.257 16.333 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 886 11.181 17.819 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 886 12.840 16.712 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 886 11.907 15.229 -2.885 1.00 0.00 H new ATOM 1294 N THR A 887 11.345 16.972 -0.430 1.00 0.00 N ATOM 1295 CA THR A 887 12.318 17.331 0.617 1.00 0.00 C ATOM 1296 C THR A 887 12.633 16.047 1.342 1.00 0.00 C ATOM 1297 O THR A 887 13.772 15.661 1.520 1.00 0.00 O ATOM 1298 CB THR A 887 11.583 18.319 1.526 1.00 0.00 C ATOM 1299 OG1 THR A 887 11.340 19.523 0.813 1.00 0.00 O ATOM 1300 CG2 THR A 887 12.434 18.619 2.762 1.00 0.00 C ATOM 0 H THR A 887 10.851 16.093 -0.278 1.00 0.00 H new ATOM 0 HA THR A 887 13.244 17.778 0.255 1.00 0.00 H new ATOM 0 HB THR A 887 10.635 17.883 1.842 1.00 0.00 H new ATOM 0 HG1 THR A 887 11.828 19.504 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 887 11.906 19.323 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 887 12.619 17.695 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 887 13.385 19.053 2.453 1.00 0.00 H new ATOM 1308 N ASP A 888 11.598 15.369 1.726 1.00 0.00 N ATOM 1309 CA ASP A 888 11.756 14.083 2.407 1.00 0.00 C ATOM 1310 C ASP A 888 11.797 12.945 1.382 1.00 0.00 C ATOM 1311 O ASP A 888 11.114 13.007 0.379 1.00 0.00 O ATOM 1312 CB ASP A 888 10.521 13.979 3.268 1.00 0.00 C ATOM 1313 CG ASP A 888 10.824 13.137 4.509 1.00 0.00 C ATOM 1314 OD1 ASP A 888 10.664 11.930 4.435 1.00 0.00 O ATOM 1315 OD2 ASP A 888 11.211 13.714 5.512 1.00 0.00 O ATOM 0 H ASP A 888 10.632 15.666 1.590 1.00 0.00 H new ATOM 0 HA ASP A 888 12.678 14.014 2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 888 10.188 14.974 3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 888 9.708 13.527 2.700 1.00 0.00 H new ATOM 1320 N PRO A 889 12.576 11.930 1.658 1.00 0.00 N ATOM 1321 CA PRO A 889 12.662 10.781 0.732 1.00 0.00 C ATOM 1322 C PRO A 889 11.356 9.965 0.739 1.00 0.00 C ATOM 1323 O PRO A 889 11.191 9.063 -0.057 1.00 0.00 O ATOM 1324 CB PRO A 889 13.811 9.959 1.326 1.00 0.00 C ATOM 1325 CG PRO A 889 14.326 10.672 2.591 1.00 0.00 C ATOM 1326 CD PRO A 889 13.419 11.875 2.876 1.00 0.00 C ATOM 0 HA PRO A 889 12.821 11.075 -0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 889 13.469 8.954 1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 889 14.615 9.853 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 889 14.324 9.987 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 889 15.356 11.000 2.448 1.00 0.00 H new ATOM 0 HD2 PRO A 889 12.823 11.731 3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 889 13.992 12.792 3.016 1.00 0.00 H new ATOM 1333 N LEU A 890 10.428 10.257 1.635 1.00 0.00 N ATOM 1334 CA LEU A 890 9.164 9.474 1.679 1.00 0.00 C ATOM 1335 C LEU A 890 8.198 9.982 2.773 1.00 0.00 C ATOM 1336 O LEU A 890 7.206 9.341 3.045 1.00 0.00 O ATOM 1337 CB LEU A 890 9.588 8.008 1.943 1.00 0.00 C ATOM 1338 CG LEU A 890 10.211 7.812 3.344 1.00 0.00 C ATOM 1339 CD1 LEU A 890 11.312 8.837 3.620 1.00 0.00 C ATOM 1340 CD2 LEU A 890 9.132 7.940 4.412 1.00 0.00 C ATOM 0 H LEU A 890 10.502 11.001 2.328 1.00 0.00 H new ATOM 0 HA LEU A 890 8.614 9.575 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 890 8.718 7.359 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 890 10.306 7.699 1.184 1.00 0.00 H new ATOM 0 HG LEU A 890 10.653 6.816 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 890 11.726 8.668 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 890 12.101 8.733 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 890 10.894 9.842 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 890 9.577 7.801 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 890 8.679 8.930 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 890 8.367 7.181 4.249 1.00 0.00 H new ATOM 1352 N LEU A 891 8.438 11.132 3.381 1.00 0.00 N ATOM 1353 CA LEU A 891 7.479 11.650 4.415 1.00 0.00 C ATOM 1354 C LEU A 891 6.107 11.559 3.832 1.00 0.00 C ATOM 1355 O LEU A 891 5.158 11.171 4.452 1.00 0.00 O ATOM 1356 CB LEU A 891 7.871 13.121 4.637 1.00 0.00 C ATOM 1357 CG LEU A 891 6.645 14.034 4.913 1.00 0.00 C ATOM 1358 CD1 LEU A 891 5.804 14.274 3.635 1.00 0.00 C ATOM 1359 CD2 LEU A 891 5.767 13.412 6.005 1.00 0.00 C ATOM 0 H LEU A 891 9.249 11.725 3.205 1.00 0.00 H new ATOM 0 HA LEU A 891 7.505 11.097 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 891 8.563 13.185 5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 891 8.401 13.488 3.758 1.00 0.00 H new ATOM 0 HG LEU A 891 7.021 15.001 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 891 4.957 14.917 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 891 6.423 14.754 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 891 5.440 13.320 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 891 4.909 14.057 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 891 5.419 12.432 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 891 6.348 13.304 6.921 1.00 0.00 H new ATOM 1371 N ILE A 892 6.049 11.934 2.620 1.00 0.00 N ATOM 1372 CA ILE A 892 4.789 11.920 1.862 1.00 0.00 C ATOM 1373 C ILE A 892 4.291 10.510 1.778 1.00 0.00 C ATOM 1374 O ILE A 892 3.112 10.242 1.865 1.00 0.00 O ATOM 1375 CB ILE A 892 5.225 12.395 0.500 1.00 0.00 C ATOM 1376 CG1 ILE A 892 4.908 13.864 0.378 1.00 0.00 C ATOM 1377 CG2 ILE A 892 4.530 11.606 -0.598 1.00 0.00 C ATOM 1378 CD1 ILE A 892 6.026 14.509 -0.401 1.00 0.00 C ATOM 0 H ILE A 892 6.854 12.267 2.090 1.00 0.00 H new ATOM 0 HA ILE A 892 3.993 12.524 2.297 1.00 0.00 H new ATOM 0 HB ILE A 892 6.298 12.238 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 892 3.954 14.009 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 892 4.816 14.319 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 892 4.861 11.968 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 892 4.778 10.549 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 892 3.451 11.735 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 892 5.827 15.575 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 892 6.968 14.367 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 892 6.092 14.052 -1.388 1.00 0.00 H new ATOM 1390 N ALA A 893 5.193 9.607 1.609 1.00 0.00 N ATOM 1391 CA ALA A 893 4.748 8.189 1.520 1.00 0.00 C ATOM 1392 C ALA A 893 4.233 7.760 2.899 1.00 0.00 C ATOM 1393 O ALA A 893 3.401 6.876 3.039 1.00 0.00 O ATOM 1394 CB ALA A 893 5.984 7.385 1.147 1.00 0.00 C ATOM 0 H ALA A 893 6.197 9.771 1.529 1.00 0.00 H new ATOM 0 HA ALA A 893 3.953 8.041 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 893 5.721 6.330 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 893 6.372 7.737 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 893 6.746 7.511 1.916 1.00 0.00 H new ATOM 1400 N MET A 894 4.661 8.465 3.906 1.00 0.00 N ATOM 1401 CA MET A 894 4.167 8.196 5.292 1.00 0.00 C ATOM 1402 C MET A 894 2.931 9.041 5.504 1.00 0.00 C ATOM 1403 O MET A 894 1.894 8.560 5.873 1.00 0.00 O ATOM 1404 CB MET A 894 5.250 8.662 6.273 1.00 0.00 C ATOM 1405 CG MET A 894 6.632 8.239 5.803 1.00 0.00 C ATOM 1406 SD MET A 894 7.764 8.218 7.219 1.00 0.00 S ATOM 1407 CE MET A 894 8.214 9.974 7.184 1.00 0.00 C ATOM 0 H MET A 894 5.338 9.224 3.832 1.00 0.00 H new ATOM 0 HA MET A 894 3.945 7.139 5.441 1.00 0.00 H new ATOM 0 HB2 MET A 894 5.213 9.747 6.373 1.00 0.00 H new ATOM 0 HB3 MET A 894 5.055 8.244 7.261 1.00 0.00 H new ATOM 0 HG2 MET A 894 6.586 7.251 5.344 1.00 0.00 H new ATOM 0 HG3 MET A 894 6.997 8.928 5.041 1.00 0.00 H new ATOM 0 HE1 MET A 894 8.757 10.229 8.094 1.00 0.00 H new ATOM 0 HE2 MET A 894 8.845 10.171 6.317 1.00 0.00 H new ATOM 0 HE3 MET A 894 7.310 10.580 7.120 1.00 0.00 H new ATOM 1417 N LYS A 895 3.045 10.309 5.238 1.00 0.00 N ATOM 1418 CA LYS A 895 1.881 11.216 5.384 1.00 0.00 C ATOM 1419 C LYS A 895 0.743 10.633 4.560 1.00 0.00 C ATOM 1420 O LYS A 895 -0.383 10.545 5.005 1.00 0.00 O ATOM 1421 CB LYS A 895 2.356 12.562 4.826 1.00 0.00 C ATOM 1422 CG LYS A 895 1.153 13.422 4.439 1.00 0.00 C ATOM 1423 CD LYS A 895 1.430 14.887 4.793 1.00 0.00 C ATOM 1424 CE LYS A 895 0.180 15.508 5.418 1.00 0.00 C ATOM 1425 NZ LYS A 895 0.355 15.328 6.886 1.00 0.00 N ATOM 0 H LYS A 895 3.904 10.759 4.923 1.00 0.00 H new ATOM 0 HA LYS A 895 1.527 11.335 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 895 2.960 13.081 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 895 2.992 12.400 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 895 0.954 13.327 3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 895 0.262 13.074 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 895 2.267 14.952 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 895 1.715 15.440 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 895 0.090 16.563 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 895 -0.725 15.014 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 895 -0.464 15.730 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 895 0.431 14.314 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 895 1.221 15.814 7.195 1.00 0.00 H new ATOM 1439 N GLU A 896 1.046 10.198 3.367 1.00 0.00 N ATOM 1440 CA GLU A 896 -0.005 9.573 2.520 1.00 0.00 C ATOM 1441 C GLU A 896 -0.654 8.418 3.279 1.00 0.00 C ATOM 1442 O GLU A 896 -1.857 8.392 3.451 1.00 0.00 O ATOM 1443 CB GLU A 896 0.727 9.055 1.287 1.00 0.00 C ATOM 1444 CG GLU A 896 0.851 10.175 0.254 1.00 0.00 C ATOM 1445 CD GLU A 896 0.012 9.830 -0.978 1.00 0.00 C ATOM 1446 OE1 GLU A 896 -1.019 9.198 -0.811 1.00 0.00 O ATOM 1447 OE2 GLU A 896 0.412 10.206 -2.067 1.00 0.00 O ATOM 0 H GLU A 896 1.973 10.249 2.945 1.00 0.00 H new ATOM 0 HA GLU A 896 -0.795 10.274 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 896 1.717 8.692 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 896 0.187 8.211 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 896 0.514 11.119 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 896 1.895 10.308 -0.030 1.00 0.00 H new ATOM 1454 N LEU A 897 0.115 7.465 3.758 1.00 0.00 N ATOM 1455 CA LEU A 897 -0.537 6.358 4.518 1.00 0.00 C ATOM 1456 C LEU A 897 -1.063 6.916 5.827 1.00 0.00 C ATOM 1457 O LEU A 897 -2.204 6.731 6.187 1.00 0.00 O ATOM 1458 CB LEU A 897 0.541 5.306 4.775 1.00 0.00 C ATOM 1459 CG LEU A 897 0.022 4.239 5.762 1.00 0.00 C ATOM 1460 CD1 LEU A 897 0.419 4.636 7.185 1.00 0.00 C ATOM 1461 CD2 LEU A 897 -1.513 4.120 5.683 1.00 0.00 C ATOM 0 H LEU A 897 1.129 7.408 3.659 1.00 0.00 H new ATOM 0 HA LEU A 897 -1.370 5.917 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 897 0.829 4.833 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 897 1.434 5.782 5.180 1.00 0.00 H new ATOM 0 HG LEU A 897 0.462 3.277 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 897 0.055 3.886 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 897 1.505 4.702 7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 897 -0.020 5.604 7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -1.856 3.362 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -1.966 5.079 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -1.804 3.834 4.672 1.00 0.00 H new ATOM 1473 N LYS A 898 -0.240 7.634 6.508 1.00 0.00 N ATOM 1474 CA LYS A 898 -0.654 8.282 7.782 1.00 0.00 C ATOM 1475 C LYS A 898 -1.969 8.991 7.560 1.00 0.00 C ATOM 1476 O LYS A 898 -2.781 9.155 8.450 1.00 0.00 O ATOM 1477 CB LYS A 898 0.423 9.319 8.032 1.00 0.00 C ATOM 1478 CG LYS A 898 0.088 10.119 9.292 1.00 0.00 C ATOM 1479 CD LYS A 898 1.370 10.713 9.877 1.00 0.00 C ATOM 1480 CE LYS A 898 1.918 9.780 10.959 1.00 0.00 C ATOM 1481 NZ LYS A 898 1.220 10.189 12.209 1.00 0.00 N ATOM 0 H LYS A 898 0.728 7.809 6.237 1.00 0.00 H new ATOM 0 HA LYS A 898 -0.770 7.577 8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 898 1.391 8.831 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 898 0.502 9.988 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 898 -0.618 10.915 9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 898 -0.395 9.475 10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 898 2.112 10.850 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 898 1.168 11.697 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 898 1.718 8.736 10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 898 2.999 9.883 11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 898 1.544 9.594 12.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 898 1.435 11.185 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 898 0.194 10.074 12.087 1.00 0.00 H new ATOM 1495 N ALA A 899 -2.165 9.402 6.353 1.00 0.00 N ATOM 1496 CA ALA A 899 -3.420 10.108 6.004 1.00 0.00 C ATOM 1497 C ALA A 899 -4.486 9.072 5.651 1.00 0.00 C ATOM 1498 O ALA A 899 -5.671 9.340 5.692 1.00 0.00 O ATOM 1499 CB ALA A 899 -3.056 10.991 4.802 1.00 0.00 C ATOM 0 H ALA A 899 -1.507 9.281 5.583 1.00 0.00 H new ATOM 0 HA ALA A 899 -3.823 10.713 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -3.935 11.549 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -2.268 11.688 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.706 10.364 3.982 1.00 0.00 H new ATOM 1505 N ARG A 900 -4.064 7.880 5.285 1.00 0.00 N ATOM 1506 CA ARG A 900 -5.030 6.808 4.902 1.00 0.00 C ATOM 1507 C ARG A 900 -5.838 7.354 3.772 1.00 0.00 C ATOM 1508 O ARG A 900 -6.974 6.987 3.535 1.00 0.00 O ATOM 1509 CB ARG A 900 -5.894 6.546 6.133 1.00 0.00 C ATOM 1510 CG ARG A 900 -5.026 6.700 7.371 1.00 0.00 C ATOM 1511 CD ARG A 900 -5.671 5.974 8.554 1.00 0.00 C ATOM 1512 NE ARG A 900 -4.554 5.727 9.508 1.00 0.00 N ATOM 1513 CZ ARG A 900 -4.578 6.268 10.695 1.00 0.00 C ATOM 1514 NH1 ARG A 900 -4.936 5.557 11.729 1.00 0.00 N ATOM 1515 NH2 ARG A 900 -4.244 7.520 10.848 1.00 0.00 N ATOM 0 H ARG A 900 -3.082 7.607 5.237 1.00 0.00 H new ATOM 0 HA ARG A 900 -4.560 5.876 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -6.729 7.246 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -6.320 5.544 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -4.032 6.294 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -4.899 7.756 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -6.453 6.580 9.010 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -6.135 5.039 8.239 1.00 0.00 H new ATOM 0 HE ARG A 900 -3.770 5.135 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -5.197 4.578 11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -4.955 5.980 12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -3.964 8.076 10.040 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -4.263 7.943 11.776 1.00 0.00 H new ATOM 1529 N LYS A 901 -5.235 8.264 3.085 1.00 0.00 N ATOM 1530 CA LYS A 901 -5.922 8.902 1.965 1.00 0.00 C ATOM 1531 C LYS A 901 -5.375 8.379 0.642 1.00 0.00 C ATOM 1532 O LYS A 901 -5.945 8.620 -0.396 1.00 0.00 O ATOM 1533 CB LYS A 901 -5.649 10.400 2.123 1.00 0.00 C ATOM 1534 CG LYS A 901 -6.287 11.174 0.964 1.00 0.00 C ATOM 1535 CD LYS A 901 -7.719 10.685 0.738 1.00 0.00 C ATOM 1536 CE LYS A 901 -8.603 11.860 0.313 1.00 0.00 C ATOM 1537 NZ LYS A 901 -8.574 11.844 -1.176 1.00 0.00 N ATOM 0 H LYS A 901 -4.285 8.593 3.258 1.00 0.00 H new ATOM 0 HA LYS A 901 -6.991 8.691 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 901 -6.052 10.753 3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 901 -4.575 10.582 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 901 -6.288 12.241 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 901 -5.699 11.037 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 901 -7.733 9.911 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 901 -8.109 10.236 1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 901 -9.620 11.746 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 901 -8.222 12.803 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 901 -9.158 12.622 -1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 901 -7.595 11.961 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 901 -8.949 10.937 -1.521 1.00 0.00 H new ATOM 1551 N ILE A 902 -4.269 7.675 0.686 1.00 0.00 N ATOM 1552 CA ILE A 902 -3.640 7.136 -0.573 1.00 0.00 C ATOM 1553 C ILE A 902 -4.682 6.563 -1.555 1.00 0.00 C ATOM 1554 O ILE A 902 -5.025 5.400 -1.474 1.00 0.00 O ATOM 1555 CB ILE A 902 -2.717 6.003 -0.107 1.00 0.00 C ATOM 1556 CG1 ILE A 902 -3.502 5.039 0.810 1.00 0.00 C ATOM 1557 CG2 ILE A 902 -1.511 6.593 0.625 1.00 0.00 C ATOM 1558 CD1 ILE A 902 -3.005 5.124 2.260 1.00 0.00 C ATOM 0 H ILE A 902 -3.768 7.446 1.544 1.00 0.00 H new ATOM 0 HA ILE A 902 -3.120 7.933 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 902 -2.357 5.442 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 902 -4.564 5.281 0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 902 -3.395 4.017 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 902 -0.856 5.787 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 902 -0.963 7.252 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 902 -1.853 7.161 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 902 -3.576 4.434 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 902 -1.949 4.858 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 902 -3.137 6.141 2.631 1.00 0.00 H new ATOM 1570 N PRO A 903 -5.147 7.397 -2.464 1.00 0.00 N ATOM 1571 CA PRO A 903 -6.142 6.969 -3.479 1.00 0.00 C ATOM 1572 C PRO A 903 -5.398 6.344 -4.659 1.00 0.00 C ATOM 1573 O PRO A 903 -5.097 7.025 -5.623 1.00 0.00 O ATOM 1574 CB PRO A 903 -6.743 8.316 -3.911 1.00 0.00 C ATOM 1575 CG PRO A 903 -6.006 9.436 -3.145 1.00 0.00 C ATOM 1576 CD PRO A 903 -4.742 8.817 -2.535 1.00 0.00 C ATOM 0 HA PRO A 903 -6.876 6.245 -3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -6.634 8.454 -4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -7.811 8.344 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -5.747 10.255 -3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -6.644 9.853 -2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -3.863 8.967 -3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -4.509 9.231 -1.554 1.00 0.00 H new ATOM 1583 N ILE A 904 -5.058 5.084 -4.611 1.00 0.00 N ATOM 1584 CA ILE A 904 -4.308 4.524 -5.751 1.00 0.00 C ATOM 1585 C ILE A 904 -4.442 3.007 -5.867 1.00 0.00 C ATOM 1586 O ILE A 904 -4.665 2.293 -4.909 1.00 0.00 O ATOM 1587 CB ILE A 904 -2.858 4.961 -5.500 1.00 0.00 C ATOM 1588 CG1 ILE A 904 -2.471 6.024 -6.523 1.00 0.00 C ATOM 1589 CG2 ILE A 904 -1.910 3.779 -5.644 1.00 0.00 C ATOM 1590 CD1 ILE A 904 -1.561 7.064 -5.868 1.00 0.00 C ATOM 0 H ILE A 904 -5.264 4.439 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 904 -4.694 4.888 -6.703 1.00 0.00 H new ATOM 0 HB ILE A 904 -2.784 5.358 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 904 -1.961 5.561 -7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 904 -3.366 6.506 -6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 904 -0.887 4.109 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 904 -2.177 3.008 -4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 904 -1.986 3.372 -6.652 1.00 0.00 H new ATOM 0 HD11 ILE A 904 -1.287 7.822 -6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 904 -2.087 7.536 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 904 -0.660 6.576 -5.496 1.00 0.00 H new ATOM 1602 N ILE A 905 -4.272 2.541 -7.065 1.00 0.00 N ATOM 1603 CA ILE A 905 -4.337 1.091 -7.364 1.00 0.00 C ATOM 1604 C ILE A 905 -2.909 0.537 -7.492 1.00 0.00 C ATOM 1605 O ILE A 905 -1.994 1.249 -7.858 1.00 0.00 O ATOM 1606 CB ILE A 905 -5.067 1.002 -8.708 1.00 0.00 C ATOM 1607 CG1 ILE A 905 -5.194 -0.465 -9.123 1.00 0.00 C ATOM 1608 CG2 ILE A 905 -4.287 1.769 -9.783 1.00 0.00 C ATOM 1609 CD1 ILE A 905 -6.649 -0.766 -9.469 1.00 0.00 C ATOM 0 H ILE A 905 -4.084 3.127 -7.878 1.00 0.00 H new ATOM 0 HA ILE A 905 -4.845 0.518 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 905 -6.059 1.443 -8.604 1.00 0.00 H new ATOM 0 HG12 ILE A 905 -4.554 -0.669 -9.982 1.00 0.00 H new ATOM 0 HG13 ILE A 905 -4.859 -1.114 -8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 905 -4.814 1.699 -10.734 1.00 0.00 H new ATOM 0 HG22 ILE A 905 -4.200 2.816 -9.492 1.00 0.00 H new ATOM 0 HG23 ILE A 905 -3.292 1.338 -9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 905 -6.744 -1.811 -9.765 1.00 0.00 H new ATOM 0 HD12 ILE A 905 -7.277 -0.577 -8.598 1.00 0.00 H new ATOM 0 HD13 ILE A 905 -6.968 -0.125 -10.291 1.00 0.00 H new ATOM 1621 N ILE A 906 -2.713 -0.717 -7.202 1.00 0.00 N ATOM 1622 CA ILE A 906 -1.355 -1.317 -7.309 1.00 0.00 C ATOM 1623 C ILE A 906 -1.470 -2.689 -7.959 1.00 0.00 C ATOM 1624 O ILE A 906 -2.473 -3.358 -7.840 1.00 0.00 O ATOM 1625 CB ILE A 906 -0.855 -1.440 -5.862 1.00 0.00 C ATOM 1626 CG1 ILE A 906 -0.069 -0.187 -5.499 1.00 0.00 C ATOM 1627 CG2 ILE A 906 0.065 -2.657 -5.715 1.00 0.00 C ATOM 1628 CD1 ILE A 906 -1.031 0.966 -5.241 1.00 0.00 C ATOM 0 H ILE A 906 -3.443 -1.359 -6.892 1.00 0.00 H new ATOM 0 HA ILE A 906 -0.672 -0.721 -7.914 1.00 0.00 H new ATOM 0 HB ILE A 906 -1.714 -1.558 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 906 0.539 -0.371 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 906 0.615 0.072 -6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 906 0.410 -2.730 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 906 -0.483 -3.561 -5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 906 0.923 -2.547 -6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 906 -0.465 1.861 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 906 -1.620 1.156 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 906 -1.697 0.707 -4.418 1.00 0.00 H new ATOM 1640 N ARG A 907 -0.459 -3.119 -8.641 1.00 0.00 N ATOM 1641 CA ARG A 907 -0.558 -4.472 -9.279 1.00 0.00 C ATOM 1642 C ARG A 907 0.227 -5.492 -8.492 1.00 0.00 C ATOM 1643 O ARG A 907 1.433 -5.449 -8.441 1.00 0.00 O ATOM 1644 CB ARG A 907 0.022 -4.343 -10.670 1.00 0.00 C ATOM 1645 CG ARG A 907 -1.023 -3.710 -11.584 1.00 0.00 C ATOM 1646 CD ARG A 907 -1.354 -2.288 -11.111 1.00 0.00 C ATOM 1647 NE ARG A 907 -1.521 -1.496 -12.362 1.00 0.00 N ATOM 1648 CZ ARG A 907 -2.568 -1.682 -13.119 1.00 0.00 C ATOM 1649 NH1 ARG A 907 -3.763 -1.652 -12.598 1.00 0.00 N ATOM 1650 NH2 ARG A 907 -2.419 -1.900 -14.397 1.00 0.00 N ATOM 0 H ARG A 907 0.416 -2.617 -8.790 1.00 0.00 H new ATOM 0 HA ARG A 907 -1.595 -4.805 -9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 907 0.923 -3.731 -10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 907 0.312 -5.323 -11.050 1.00 0.00 H new ATOM 0 HG2 ARG A 907 -0.651 -3.682 -12.608 1.00 0.00 H new ATOM 0 HG3 ARG A 907 -1.927 -4.318 -11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 907 -2.263 -2.273 -10.510 1.00 0.00 H new ATOM 0 HD3 ARG A 907 -0.555 -1.882 -10.490 1.00 0.00 H new ATOM 0 HE ARG A 907 -0.816 -0.808 -12.627 1.00 0.00 H new ATOM 0 HH11 ARG A 907 -3.880 -1.483 -11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 907 -4.581 -1.797 -13.190 1.00 0.00 H new ATOM 0 HH21 ARG A 907 -1.484 -1.925 -14.805 1.00 0.00 H new ATOM 0 HH22 ARG A 907 -3.237 -2.045 -14.988 1.00 0.00 H new ATOM 1664 N ARG A 908 -0.450 -6.428 -7.910 1.00 0.00 N ATOM 1665 CA ARG A 908 0.271 -7.479 -7.146 1.00 0.00 C ATOM 1666 C ARG A 908 0.517 -8.681 -8.060 1.00 0.00 C ATOM 1667 O ARG A 908 -0.300 -9.580 -8.129 1.00 0.00 O ATOM 1668 CB ARG A 908 -0.642 -7.925 -5.982 1.00 0.00 C ATOM 1669 CG ARG A 908 -1.415 -6.755 -5.349 1.00 0.00 C ATOM 1670 CD ARG A 908 -2.099 -7.237 -4.043 1.00 0.00 C ATOM 1671 NE ARG A 908 -0.973 -7.549 -3.119 1.00 0.00 N ATOM 1672 CZ ARG A 908 -1.175 -8.319 -2.084 1.00 0.00 C ATOM 1673 NH1 ARG A 908 -2.237 -8.151 -1.344 1.00 0.00 N ATOM 1674 NH2 ARG A 908 -0.317 -9.257 -1.790 1.00 0.00 N ATOM 0 H ARG A 908 -1.466 -6.515 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 908 1.222 -7.098 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 908 -1.351 -8.668 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 908 -0.036 -8.411 -5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 908 -0.736 -5.930 -5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 908 -2.163 -6.379 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 908 -2.749 -6.466 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 908 -2.719 -8.115 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 908 -0.046 -7.162 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 908 -2.908 -7.419 -1.574 1.00 0.00 H new ATOM 0 HH12 ARG A 908 -2.395 -8.752 -0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 908 0.512 -9.389 -2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 908 -0.476 -9.858 -0.981 1.00 0.00 H new ATOM 1688 N TYR A 909 1.642 -8.747 -8.723 1.00 0.00 N ATOM 1689 CA TYR A 909 1.910 -9.928 -9.557 1.00 0.00 C ATOM 1690 C TYR A 909 2.591 -10.952 -8.671 1.00 0.00 C ATOM 1691 O TYR A 909 2.896 -10.686 -7.524 1.00 0.00 O ATOM 1692 CB TYR A 909 2.866 -9.549 -10.694 1.00 0.00 C ATOM 1693 CG TYR A 909 2.664 -8.137 -11.206 1.00 0.00 C ATOM 1694 CD1 TYR A 909 1.739 -7.893 -12.220 1.00 0.00 C ATOM 1695 CD2 TYR A 909 3.448 -7.085 -10.716 1.00 0.00 C ATOM 1696 CE1 TYR A 909 1.587 -6.609 -12.734 1.00 0.00 C ATOM 1697 CE2 TYR A 909 3.305 -5.803 -11.235 1.00 0.00 C ATOM 1698 CZ TYR A 909 2.371 -5.560 -12.248 1.00 0.00 C ATOM 1699 OH TYR A 909 2.225 -4.293 -12.775 1.00 0.00 O ATOM 0 H TYR A 909 2.373 -8.036 -8.716 1.00 0.00 H new ATOM 0 HA TYR A 909 0.985 -10.317 -9.983 1.00 0.00 H new ATOM 0 HB2 TYR A 909 3.893 -9.658 -10.346 1.00 0.00 H new ATOM 0 HB3 TYR A 909 2.733 -10.249 -11.519 1.00 0.00 H new ATOM 0 HD1 TYR A 909 1.139 -8.703 -12.608 1.00 0.00 H new ATOM 0 HD2 TYR A 909 4.167 -7.270 -9.932 1.00 0.00 H new ATOM 0 HE1 TYR A 909 0.861 -6.423 -13.511 1.00 0.00 H new ATOM 0 HE2 TYR A 909 3.914 -4.996 -10.857 1.00 0.00 H new ATOM 0 HH TYR A 909 1.392 -4.247 -13.290 1.00 0.00 H new ATOM 1709 N LEU A 910 2.834 -12.109 -9.179 1.00 0.00 N ATOM 1710 CA LEU A 910 3.487 -13.139 -8.356 1.00 0.00 C ATOM 1711 C LEU A 910 4.594 -13.856 -9.126 1.00 0.00 C ATOM 1712 O LEU A 910 4.328 -14.568 -10.074 1.00 0.00 O ATOM 1713 CB LEU A 910 2.358 -14.102 -8.019 1.00 0.00 C ATOM 1714 CG LEU A 910 1.283 -13.401 -7.188 1.00 0.00 C ATOM 1715 CD1 LEU A 910 0.277 -14.446 -6.730 1.00 0.00 C ATOM 1716 CD2 LEU A 910 1.898 -12.719 -5.963 1.00 0.00 C ATOM 0 H LEU A 910 2.608 -12.389 -10.133 1.00 0.00 H new ATOM 0 HA LEU A 910 3.970 -12.718 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 910 1.919 -14.492 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 910 2.753 -14.955 -7.467 1.00 0.00 H new ATOM 0 HG LEU A 910 0.799 -12.637 -7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 910 -0.500 -13.967 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 910 -0.175 -14.922 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 910 0.784 -15.199 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 910 1.113 -12.227 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 910 2.391 -13.465 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 910 2.628 -11.978 -6.288 1.00 0.00 H new ATOM 1728 N PRO A 911 5.808 -13.686 -8.657 1.00 0.00 N ATOM 1729 CA PRO A 911 6.960 -14.374 -9.274 1.00 0.00 C ATOM 1730 C PRO A 911 6.760 -15.879 -9.094 1.00 0.00 C ATOM 1731 O PRO A 911 7.445 -16.692 -9.685 1.00 0.00 O ATOM 1732 CB PRO A 911 8.142 -13.878 -8.433 1.00 0.00 C ATOM 1733 CG PRO A 911 7.608 -12.928 -7.344 1.00 0.00 C ATOM 1734 CD PRO A 911 6.087 -12.808 -7.500 1.00 0.00 C ATOM 0 HA PRO A 911 7.097 -14.183 -10.338 1.00 0.00 H new ATOM 0 HB2 PRO A 911 8.662 -14.721 -7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 911 8.865 -13.361 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 911 7.857 -13.310 -6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 911 8.076 -11.948 -7.435 1.00 0.00 H new ATOM 0 HD2 PRO A 911 5.561 -13.139 -6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 911 5.779 -11.780 -7.689 1.00 0.00 H new ATOM 1741 N ASP A 912 5.804 -16.244 -8.273 1.00 0.00 N ATOM 1742 CA ASP A 912 5.518 -17.680 -8.032 1.00 0.00 C ATOM 1743 C ASP A 912 4.748 -18.244 -9.215 1.00 0.00 C ATOM 1744 O ASP A 912 4.947 -19.374 -9.618 1.00 0.00 O ATOM 1745 CB ASP A 912 4.650 -17.703 -6.775 1.00 0.00 C ATOM 1746 CG ASP A 912 5.530 -17.941 -5.546 1.00 0.00 C ATOM 1747 OD1 ASP A 912 5.854 -19.087 -5.288 1.00 0.00 O ATOM 1748 OD2 ASP A 912 5.864 -16.971 -4.886 1.00 0.00 O ATOM 0 H ASP A 912 5.208 -15.596 -7.758 1.00 0.00 H new ATOM 0 HA ASP A 912 6.422 -18.276 -7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 912 4.114 -16.759 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 912 3.899 -18.489 -6.854 1.00 0.00 H new ATOM 1753 N GLY A 913 3.868 -17.462 -9.785 1.00 0.00 N ATOM 1754 CA GLY A 913 3.093 -17.974 -10.957 1.00 0.00 C ATOM 1755 C GLY A 913 1.649 -17.516 -10.869 1.00 0.00 C ATOM 1756 O GLY A 913 0.716 -18.282 -11.006 1.00 0.00 O ATOM 0 H GLY A 913 3.654 -16.507 -9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 913 3.541 -17.615 -11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 913 3.136 -19.063 -10.984 1.00 0.00 H new ATOM 1760 N SER A 914 1.482 -16.261 -10.652 1.00 0.00 N ATOM 1761 CA SER A 914 0.122 -15.665 -10.555 1.00 0.00 C ATOM 1762 C SER A 914 0.261 -14.157 -10.582 1.00 0.00 C ATOM 1763 O SER A 914 1.328 -13.637 -10.849 1.00 0.00 O ATOM 1764 CB SER A 914 -0.439 -16.141 -9.219 1.00 0.00 C ATOM 1765 OG SER A 914 -0.930 -17.467 -9.359 1.00 0.00 O ATOM 0 H SER A 914 2.245 -15.595 -10.533 1.00 0.00 H new ATOM 0 HA SER A 914 -0.536 -15.957 -11.373 1.00 0.00 H new ATOM 0 HB2 SER A 914 0.336 -16.107 -8.454 1.00 0.00 H new ATOM 0 HB3 SER A 914 -1.239 -15.478 -8.891 1.00 0.00 H new ATOM 0 HG SER A 914 -0.644 -17.832 -10.222 1.00 0.00 H new ATOM 1771 N TYR A 915 -0.788 -13.446 -10.302 1.00 0.00 N ATOM 1772 CA TYR A 915 -0.700 -11.970 -10.307 1.00 0.00 C ATOM 1773 C TYR A 915 -2.122 -11.369 -10.227 1.00 0.00 C ATOM 1774 O TYR A 915 -3.082 -11.974 -10.661 1.00 0.00 O ATOM 1775 CB TYR A 915 -0.046 -11.598 -11.663 1.00 0.00 C ATOM 1776 CG TYR A 915 -0.882 -10.571 -12.406 1.00 0.00 C ATOM 1777 CD1 TYR A 915 -0.973 -9.254 -11.935 1.00 0.00 C ATOM 1778 CD2 TYR A 915 -1.565 -10.940 -13.573 1.00 0.00 C ATOM 1779 CE1 TYR A 915 -1.742 -8.312 -12.627 1.00 0.00 C ATOM 1780 CE2 TYR A 915 -2.333 -9.998 -14.266 1.00 0.00 C ATOM 1781 CZ TYR A 915 -2.421 -8.684 -13.792 1.00 0.00 C ATOM 1782 OH TYR A 915 -3.178 -7.754 -14.476 1.00 0.00 O ATOM 0 H TYR A 915 -1.705 -13.827 -10.069 1.00 0.00 H new ATOM 0 HA TYR A 915 -0.125 -11.589 -9.463 1.00 0.00 H new ATOM 0 HB2 TYR A 915 0.955 -11.202 -11.492 1.00 0.00 H new ATOM 0 HB3 TYR A 915 0.065 -12.493 -12.275 1.00 0.00 H new ATOM 0 HD1 TYR A 915 -0.448 -8.966 -11.036 1.00 0.00 H new ATOM 0 HD2 TYR A 915 -1.498 -11.954 -13.938 1.00 0.00 H new ATOM 0 HE1 TYR A 915 -1.811 -7.298 -12.262 1.00 0.00 H new ATOM 0 HE2 TYR A 915 -2.857 -10.284 -15.166 1.00 0.00 H new ATOM 0 HH TYR A 915 -3.988 -7.551 -13.964 1.00 0.00 H new ATOM 1792 N GLU A 916 -2.251 -10.176 -9.720 1.00 0.00 N ATOM 1793 CA GLU A 916 -3.599 -9.512 -9.657 1.00 0.00 C ATOM 1794 C GLU A 916 -3.442 -7.986 -9.586 1.00 0.00 C ATOM 1795 O GLU A 916 -2.530 -7.477 -8.967 1.00 0.00 O ATOM 1796 CB GLU A 916 -4.263 -10.047 -8.395 1.00 0.00 C ATOM 1797 CG GLU A 916 -5.687 -10.503 -8.720 1.00 0.00 C ATOM 1798 CD GLU A 916 -6.654 -9.333 -8.528 1.00 0.00 C ATOM 1799 OE1 GLU A 916 -6.485 -8.334 -9.206 1.00 0.00 O ATOM 1800 OE2 GLU A 916 -7.548 -9.458 -7.706 1.00 0.00 O ATOM 0 H GLU A 916 -1.482 -9.623 -9.342 1.00 0.00 H new ATOM 0 HA GLU A 916 -4.197 -9.726 -10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 916 -3.686 -10.880 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 916 -4.284 -9.274 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 916 -5.738 -10.866 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 916 -5.971 -11.333 -8.073 1.00 0.00 H new ATOM 1807 N ASP A 917 -4.338 -7.253 -10.204 1.00 0.00 N ATOM 1808 CA ASP A 917 -4.250 -5.763 -10.156 1.00 0.00 C ATOM 1809 C ASP A 917 -5.389 -5.199 -9.331 1.00 0.00 C ATOM 1810 O ASP A 917 -6.453 -5.774 -9.226 1.00 0.00 O ATOM 1811 CB ASP A 917 -4.341 -5.280 -11.593 1.00 0.00 C ATOM 1812 CG ASP A 917 -5.753 -5.493 -12.148 1.00 0.00 C ATOM 1813 OD1 ASP A 917 -6.468 -6.318 -11.602 1.00 0.00 O ATOM 1814 OD2 ASP A 917 -6.094 -4.826 -13.110 1.00 0.00 O ATOM 0 H ASP A 917 -5.124 -7.624 -10.738 1.00 0.00 H new ATOM 0 HA ASP A 917 -3.320 -5.434 -9.692 1.00 0.00 H new ATOM 0 HB2 ASP A 917 -4.081 -4.223 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 917 -3.618 -5.816 -12.208 1.00 0.00 H new ATOM 1819 N TRP A 918 -5.119 -4.070 -8.756 1.00 0.00 N ATOM 1820 CA TRP A 918 -6.057 -3.314 -7.860 1.00 0.00 C ATOM 1821 C TRP A 918 -5.280 -2.854 -6.633 1.00 0.00 C ATOM 1822 O TRP A 918 -4.139 -3.219 -6.453 1.00 0.00 O ATOM 1823 CB TRP A 918 -7.247 -4.189 -7.452 1.00 0.00 C ATOM 1824 CG TRP A 918 -6.868 -5.515 -6.854 1.00 0.00 C ATOM 1825 CD1 TRP A 918 -5.659 -6.121 -6.849 1.00 0.00 C ATOM 1826 CD2 TRP A 918 -7.753 -6.390 -6.145 1.00 0.00 C ATOM 1827 NE1 TRP A 918 -5.796 -7.378 -6.288 1.00 0.00 N ATOM 1828 CE2 TRP A 918 -7.074 -7.567 -5.790 1.00 0.00 C ATOM 1829 CE3 TRP A 918 -9.089 -6.254 -5.799 1.00 0.00 C ATOM 1830 CZ2 TRP A 918 -7.723 -8.595 -5.105 1.00 0.00 C ATOM 1831 CZ3 TRP A 918 -9.749 -7.250 -5.099 1.00 0.00 C ATOM 1832 CH2 TRP A 918 -9.073 -8.433 -4.747 1.00 0.00 C ATOM 0 H TRP A 918 -4.222 -3.600 -8.875 1.00 0.00 H new ATOM 0 HA TRP A 918 -6.457 -2.450 -8.391 1.00 0.00 H new ATOM 0 HB2 TRP A 918 -7.856 -3.641 -6.733 1.00 0.00 H new ATOM 0 HB3 TRP A 918 -7.870 -4.365 -8.329 1.00 0.00 H new ATOM 0 HD1 TRP A 918 -4.739 -5.694 -7.221 1.00 0.00 H new ATOM 0 HE1 TRP A 918 -5.052 -8.075 -6.247 1.00 0.00 H new ATOM 0 HE3 TRP A 918 -9.623 -5.358 -6.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 -7.195 -9.503 -4.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 -10.785 -7.119 -4.823 1.00 0.00 H new ATOM 0 HH2 TRP A 918 -9.588 -9.212 -4.205 1.00 0.00 H new ATOM 1843 N GLY A 919 -5.856 -2.042 -5.796 1.00 0.00 N ATOM 1844 CA GLY A 919 -5.073 -1.568 -4.622 1.00 0.00 C ATOM 1845 C GLY A 919 -5.968 -0.910 -3.605 1.00 0.00 C ATOM 1846 O GLY A 919 -6.278 -1.464 -2.572 1.00 0.00 O ATOM 0 H GLY A 919 -6.811 -1.692 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 919 -4.553 -2.409 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 919 -4.310 -0.862 -4.950 1.00 0.00 H new ATOM 1850 N VAL A 920 -6.386 0.273 -3.887 1.00 0.00 N ATOM 1851 CA VAL A 920 -7.277 0.969 -2.936 1.00 0.00 C ATOM 1852 C VAL A 920 -8.566 1.291 -3.649 1.00 0.00 C ATOM 1853 O VAL A 920 -9.516 1.767 -3.059 1.00 0.00 O ATOM 1854 CB VAL A 920 -6.541 2.240 -2.533 1.00 0.00 C ATOM 1855 CG1 VAL A 920 -7.442 3.108 -1.650 1.00 0.00 C ATOM 1856 CG2 VAL A 920 -5.292 1.849 -1.757 1.00 0.00 C ATOM 0 H VAL A 920 -6.153 0.793 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 920 -7.516 0.373 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 920 -6.270 2.808 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 920 -6.908 4.015 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 920 -8.344 3.375 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 920 -7.716 2.553 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 920 -4.752 2.748 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 920 -5.577 1.287 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 920 -4.651 1.232 -2.386 1.00 0.00 H new ATOM 1866 N ASP A 921 -8.619 1.013 -4.922 1.00 0.00 N ATOM 1867 CA ASP A 921 -9.874 1.290 -5.649 1.00 0.00 C ATOM 1868 C ASP A 921 -10.799 0.099 -5.485 1.00 0.00 C ATOM 1869 O ASP A 921 -11.996 0.186 -5.675 1.00 0.00 O ATOM 1870 CB ASP A 921 -9.478 1.508 -7.112 1.00 0.00 C ATOM 1871 CG ASP A 921 -10.664 2.098 -7.876 1.00 0.00 C ATOM 1872 OD1 ASP A 921 -11.734 1.516 -7.812 1.00 0.00 O ATOM 1873 OD2 ASP A 921 -10.482 3.121 -8.514 1.00 0.00 O ATOM 0 H ASP A 921 -7.861 0.614 -5.475 1.00 0.00 H new ATOM 0 HA ASP A 921 -10.401 2.167 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 921 -8.622 2.180 -7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 921 -9.174 0.563 -7.563 1.00 0.00 H new ATOM 1878 N GLU A 922 -10.238 -1.014 -5.124 1.00 0.00 N ATOM 1879 CA GLU A 922 -11.047 -2.228 -4.931 1.00 0.00 C ATOM 1880 C GLU A 922 -10.763 -2.840 -3.552 1.00 0.00 C ATOM 1881 O GLU A 922 -11.448 -3.745 -3.115 1.00 0.00 O ATOM 1882 CB GLU A 922 -10.567 -3.132 -6.053 1.00 0.00 C ATOM 1883 CG GLU A 922 -11.599 -4.236 -6.299 1.00 0.00 C ATOM 1884 CD GLU A 922 -11.369 -4.859 -7.679 1.00 0.00 C ATOM 1885 OE1 GLU A 922 -11.548 -4.160 -8.661 1.00 0.00 O ATOM 1886 OE2 GLU A 922 -11.020 -6.026 -7.728 1.00 0.00 O ATOM 0 H GLU A 922 -9.239 -1.130 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 922 -12.123 -2.055 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 922 -10.417 -2.551 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 922 -9.604 -3.572 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 922 -11.519 -5.001 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 922 -12.607 -3.825 -6.238 1.00 0.00 H new ATOM 1893 N LEU A 923 -9.736 -2.377 -2.876 1.00 0.00 N ATOM 1894 CA LEU A 923 -9.397 -2.971 -1.541 1.00 0.00 C ATOM 1895 C LEU A 923 -8.657 -1.994 -0.599 1.00 0.00 C ATOM 1896 O LEU A 923 -8.834 -0.792 -0.628 1.00 0.00 O ATOM 1897 CB LEU A 923 -8.509 -4.180 -1.863 1.00 0.00 C ATOM 1898 CG LEU A 923 -7.520 -3.807 -2.956 1.00 0.00 C ATOM 1899 CD1 LEU A 923 -6.089 -4.121 -2.559 1.00 0.00 C ATOM 1900 CD2 LEU A 923 -7.852 -4.627 -4.138 1.00 0.00 C ATOM 0 H LEU A 923 -9.124 -1.622 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 923 -10.308 -3.234 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 923 -7.975 -4.501 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 923 -9.124 -5.020 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 923 -7.592 -2.736 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 923 -5.416 -3.839 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 923 -5.830 -3.562 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 923 -5.992 -5.189 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 923 -7.164 -4.391 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 923 -7.764 -5.683 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 923 -8.873 -4.413 -4.454 1.00 0.00 H new ATOM 1912 N ILE A 924 -7.877 -2.571 0.276 1.00 0.00 N ATOM 1913 CA ILE A 924 -7.113 -1.834 1.338 1.00 0.00 C ATOM 1914 C ILE A 924 -5.945 -1.004 0.833 1.00 0.00 C ATOM 1915 O ILE A 924 -5.502 -1.090 -0.285 1.00 0.00 O ATOM 1916 CB ILE A 924 -6.617 -2.923 2.317 1.00 0.00 C ATOM 1917 CG1 ILE A 924 -7.490 -2.866 3.552 1.00 0.00 C ATOM 1918 CG2 ILE A 924 -5.141 -2.753 2.717 1.00 0.00 C ATOM 1919 CD1 ILE A 924 -8.866 -3.372 3.155 1.00 0.00 C ATOM 0 H ILE A 924 -7.729 -3.580 0.301 1.00 0.00 H new ATOM 0 HA ILE A 924 -7.772 -1.098 1.799 1.00 0.00 H new ATOM 0 HB ILE A 924 -6.687 -3.888 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 924 -7.070 -3.480 4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 924 -7.550 -1.847 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 924 -4.856 -3.549 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 924 -4.515 -2.802 1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 924 -5.005 -1.787 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 924 -9.527 -3.346 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 924 -9.274 -2.737 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 924 -8.786 -4.396 2.790 1.00 0.00 H new ATOM 1931 N ILE A 925 -5.453 -0.222 1.734 1.00 0.00 N ATOM 1932 CA ILE A 925 -4.269 0.642 1.488 1.00 0.00 C ATOM 1933 C ILE A 925 -3.057 -0.073 2.091 1.00 0.00 C ATOM 1934 O ILE A 925 -2.719 -1.174 1.706 1.00 0.00 O ATOM 1935 CB ILE A 925 -4.589 1.972 2.198 1.00 0.00 C ATOM 1936 CG1 ILE A 925 -5.004 1.715 3.655 1.00 0.00 C ATOM 1937 CG2 ILE A 925 -5.740 2.670 1.469 1.00 0.00 C ATOM 1938 CD1 ILE A 925 -4.618 2.921 4.518 1.00 0.00 C ATOM 0 H ILE A 925 -5.837 -0.139 2.675 1.00 0.00 H new ATOM 0 HA ILE A 925 -4.050 0.833 0.437 1.00 0.00 H new ATOM 0 HB ILE A 925 -3.698 2.600 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 925 -6.079 1.542 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 925 -4.516 0.815 4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 925 -5.969 3.611 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 925 -5.450 2.868 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 925 -6.621 2.028 1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 925 -4.913 2.738 5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 925 -3.540 3.073 4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 925 -5.127 3.811 4.148 1.00 0.00 H new ATOM 1950 N THR A 926 -2.429 0.520 3.041 1.00 0.00 N ATOM 1951 CA THR A 926 -1.259 -0.135 3.697 1.00 0.00 C ATOM 1952 C THR A 926 -1.738 -1.366 4.465 1.00 0.00 C ATOM 1953 O THR A 926 -1.088 -2.392 4.490 1.00 0.00 O ATOM 1954 CB THR A 926 -0.715 0.906 4.678 1.00 0.00 C ATOM 1955 OG1 THR A 926 -0.615 2.165 4.034 1.00 0.00 O ATOM 1956 CG2 THR A 926 0.663 0.470 5.176 1.00 0.00 C ATOM 0 H THR A 926 -2.668 1.442 3.406 1.00 0.00 H new ATOM 0 HA THR A 926 -0.503 -0.454 2.979 1.00 0.00 H new ATOM 0 HB THR A 926 -1.394 0.991 5.526 1.00 0.00 H new ATOM 0 HG1 THR A 926 -1.378 2.286 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 926 1.049 1.212 5.875 1.00 0.00 H new ATOM 0 HG22 THR A 926 0.580 -0.493 5.679 1.00 0.00 H new ATOM 0 HG23 THR A 926 1.344 0.380 4.330 1.00 0.00 H new ATOM 1964 N ASP A 927 -2.879 -1.260 5.084 1.00 0.00 N ATOM 1965 CA ASP A 927 -3.445 -2.407 5.860 1.00 0.00 C ATOM 1966 C ASP A 927 -4.782 -1.997 6.484 1.00 0.00 C ATOM 1967 O ASP A 927 -5.613 -1.471 5.762 1.00 0.00 O ATOM 1968 CB ASP A 927 -2.414 -2.717 6.954 1.00 0.00 C ATOM 1969 CG ASP A 927 -2.078 -1.440 7.728 1.00 0.00 C ATOM 1970 OD1 ASP A 927 -2.982 -0.873 8.320 1.00 0.00 O ATOM 1971 OD2 ASP A 927 -0.922 -1.050 7.716 1.00 0.00 O ATOM 1972 OXT ASP A 927 -4.955 -2.215 7.673 1.00 0.00 O ATOM 0 H ASP A 927 -3.454 -0.418 5.088 1.00 0.00 H new ATOM 0 HA ASP A 927 -3.630 -3.278 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -2.808 -3.472 7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -1.510 -3.131 6.507 1.00 0.00 H new TER 1977 ASP A 927